USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 965 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 8 GLN : amide:sc= 0.284 K(o=0.69,f=-13!) USER MOD Set 1.2: A 12 LYS NZ :NH3+ -117:sc= 0.409 (180deg=-1.95!) USER MOD Set 2.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 34 ASN : amide:sc= 0.383 X(o=0.38,f=0.076) USER MOD Single : A 1 SER N :NH3+ -117:sc= 0.529 (180deg=-0.234) USER MOD Single : A 2 MET CE :methyl 152:sc= -1.27 (180deg=-2.11) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 15 TYR OH : rot 15:sc= -1.11 USER MOD Single : A 18 GLN : amide:sc= -2.83! K(o=-2.8!,f=-0.27) USER MOD Single : A 21 LYS NZ :NH3+ -171:sc=-0.00712 (180deg=-0.155) USER MOD Single : A 26 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.3) USER MOD Single : A 28 SER OG : rot 74:sc= 0.717 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -7:sc= 0.747 USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -2.44! (180deg=-3.79!) USER MOD Single : A 55 TYR OH : rot -128:sc= 0.476 USER MOD Single : A 59 CYS SG : rot 167:sc= -0.339 USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= 1.76 (180deg=0.366) USER MOD Single : A 69 GLN : amide:sc= -1.41 K(o=-1.4,f=-4.9!) USER MOD Single : A 72 ASN : amide:sc= 0.289 K(o=0.29,f=-0.53) USER MOD Single : A 73 TYR OH : rot 165:sc= -0.0824 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -0.907 K(o=-0.91,f=-0.071) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -80:sc= 1.37 USER MOD Single : A 94 TYR OH : rot -110:sc= 0.693 USER MOD Single : A 96 MET CE :methyl -134:sc= 0 (180deg=-0.754) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 165:sc= 0.644 USER MOD Single : A 102 ASN : amide:sc= -0.746 K(o=-0.75,f=-0.098) USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0555 USER MOD Single : A 106 ASN : amide:sc= -0.711 K(o=-0.71,f=-1.9) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.93! K(o=-1.9!,f=-0.071) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 166:sc= -0.0431 (180deg=-0.274) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.994 15.457 -3.084 1.00 0.00 N ATOM 2 CA SER A 1 4.536 14.070 -2.863 1.00 0.00 C ATOM 3 C SER A 1 5.315 13.102 -3.752 1.00 0.00 C ATOM 4 O SER A 1 6.129 12.315 -3.263 1.00 0.00 O ATOM 5 CB SER A 1 3.030 13.968 -3.133 1.00 0.00 C ATOM 6 OG SER A 1 2.311 14.921 -2.366 1.00 0.00 O ATOM 0 H1 SER A 1 5.406 15.831 -2.205 1.00 0.00 H new ATOM 0 H2 SER A 1 5.713 15.470 -3.836 1.00 0.00 H new ATOM 0 H3 SER A 1 4.187 16.048 -3.367 1.00 0.00 H new ATOM 0 HA SER A 1 4.722 13.797 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.835 14.128 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.681 12.964 -2.892 1.00 0.00 H new ATOM 0 HG SER A 1 1.353 14.838 -2.556 1.00 0.00 H new ATOM 14 N MET A 2 5.093 13.202 -5.061 1.00 0.00 N ATOM 15 CA MET A 2 5.685 12.280 -6.032 1.00 0.00 C ATOM 16 C MET A 2 7.214 12.262 -5.923 1.00 0.00 C ATOM 17 O MET A 2 7.839 11.197 -5.937 1.00 0.00 O ATOM 18 CB MET A 2 5.270 12.692 -7.453 1.00 0.00 C ATOM 19 CG MET A 2 5.444 11.602 -8.504 1.00 0.00 C ATOM 20 SD MET A 2 4.293 10.231 -8.267 1.00 0.00 S ATOM 21 CE MET A 2 4.527 9.317 -9.790 1.00 0.00 C ATOM 0 H MET A 2 4.501 13.920 -5.478 1.00 0.00 H new ATOM 0 HA MET A 2 5.319 11.276 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 2 4.225 13.000 -7.437 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.855 13.562 -7.751 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.297 12.030 -9.496 1.00 0.00 H new ATOM 0 HG3 MET A 2 6.466 11.226 -8.468 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.312 8.262 -9.618 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.853 9.705 -10.554 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.558 9.427 -10.126 1.00 0.00 H new ATOM 31 N ASN A 3 7.803 13.449 -5.795 1.00 0.00 N ATOM 32 CA ASN A 3 9.261 13.601 -5.762 1.00 0.00 C ATOM 33 C ASN A 3 9.874 12.857 -4.578 1.00 0.00 C ATOM 34 O ASN A 3 10.912 12.204 -4.714 1.00 0.00 O ATOM 35 CB ASN A 3 9.644 15.087 -5.696 1.00 0.00 C ATOM 36 CG ASN A 3 11.153 15.310 -5.676 1.00 0.00 C ATOM 37 OD1 ASN A 3 11.921 14.537 -6.251 1.00 0.00 O ATOM 38 ND2 ASN A 3 11.584 16.375 -5.020 1.00 0.00 N ATOM 0 H ASN A 3 7.291 14.327 -5.712 1.00 0.00 H new ATOM 0 HA ASN A 3 9.657 13.167 -6.680 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.216 15.606 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.204 15.531 -4.803 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.583 16.579 -4.978 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.918 16.992 -4.556 1.00 0.00 H new ATOM 45 N GLU A 4 9.214 12.936 -3.424 1.00 0.00 N ATOM 46 CA GLU A 4 9.722 12.316 -2.200 1.00 0.00 C ATOM 47 C GLU A 4 9.915 10.809 -2.381 1.00 0.00 C ATOM 48 O GLU A 4 10.689 10.184 -1.655 1.00 0.00 O ATOM 49 CB GLU A 4 8.791 12.588 -1.003 1.00 0.00 C ATOM 50 CG GLU A 4 8.691 14.061 -0.599 1.00 0.00 C ATOM 51 CD GLU A 4 7.618 14.827 -1.360 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.839 15.181 -2.538 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.541 15.086 -0.781 1.00 0.00 O ATOM 0 H GLU A 4 8.325 13.424 -3.310 1.00 0.00 H new ATOM 0 HA GLU A 4 10.692 12.768 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.793 12.222 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.143 12.013 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.483 14.123 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.655 14.541 -0.764 1.00 0.00 H new ATOM 60 N LEU A 5 9.203 10.232 -3.347 1.00 0.00 N ATOM 61 CA LEU A 5 9.365 8.818 -3.672 1.00 0.00 C ATOM 62 C LEU A 5 10.307 8.659 -4.867 1.00 0.00 C ATOM 63 O LEU A 5 11.075 7.700 -4.940 1.00 0.00 O ATOM 64 CB LEU A 5 8.003 8.171 -3.977 1.00 0.00 C ATOM 65 CG LEU A 5 8.002 6.631 -4.012 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.356 6.063 -2.641 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.654 6.089 -4.477 1.00 0.00 C ATOM 0 H LEU A 5 8.511 10.720 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 5 9.799 8.312 -2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.285 8.502 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.651 8.541 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 5 8.759 6.314 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.350 4.974 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 5 9.348 6.409 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.624 6.400 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.685 5.000 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.873 6.421 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.439 6.459 -5.480 1.00 0.00 H new ATOM 79 N GLU A 6 10.252 9.626 -5.787 1.00 0.00 N ATOM 80 CA GLU A 6 11.066 9.609 -7.012 1.00 0.00 C ATOM 81 C GLU A 6 12.531 9.948 -6.707 1.00 0.00 C ATOM 82 O GLU A 6 13.402 9.810 -7.569 1.00 0.00 O ATOM 83 CB GLU A 6 10.493 10.616 -8.029 1.00 0.00 C ATOM 84 CG GLU A 6 11.165 10.580 -9.401 1.00 0.00 C ATOM 85 CD GLU A 6 10.643 11.653 -10.346 1.00 0.00 C ATOM 86 OE1 GLU A 6 11.138 12.800 -10.281 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.743 11.360 -11.161 1.00 0.00 O ATOM 0 H GLU A 6 9.645 10.442 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 6 11.032 8.604 -7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.428 10.421 -8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.587 11.621 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.241 10.705 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.008 9.600 -9.851 1.00 0.00 H new ATOM 94 N ALA A 7 12.779 10.394 -5.476 1.00 0.00 N ATOM 95 CA ALA A 7 14.111 10.813 -5.022 1.00 0.00 C ATOM 96 C ALA A 7 15.242 9.903 -5.525 1.00 0.00 C ATOM 97 O ALA A 7 16.298 10.392 -5.938 1.00 0.00 O ATOM 98 CB ALA A 7 14.137 10.889 -3.499 1.00 0.00 C ATOM 0 H ALA A 7 12.059 10.476 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 7 14.294 11.798 -5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.127 11.200 -3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.396 11.612 -3.158 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.906 9.909 -3.082 1.00 0.00 H new ATOM 104 N GLN A 8 15.035 8.589 -5.485 1.00 0.00 N ATOM 105 CA GLN A 8 16.063 7.643 -5.925 1.00 0.00 C ATOM 106 C GLN A 8 15.872 7.303 -7.408 1.00 0.00 C ATOM 107 O GLN A 8 14.744 7.127 -7.876 1.00 0.00 O ATOM 108 CB GLN A 8 16.044 6.371 -5.057 1.00 0.00 C ATOM 109 CG GLN A 8 16.174 6.640 -3.554 1.00 0.00 C ATOM 110 CD GLN A 8 14.842 6.905 -2.860 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.868 7.338 -3.478 1.00 0.00 O ATOM 112 NE2 GLN A 8 14.800 6.673 -1.557 1.00 0.00 N ATOM 0 H GLN A 8 14.173 8.155 -5.156 1.00 0.00 H new ATOM 0 HA GLN A 8 17.040 8.111 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 8 15.114 5.832 -5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.858 5.717 -5.370 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.656 5.784 -3.081 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.829 7.498 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.625 6.314 -1.076 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.943 6.853 -1.034 1.00 0.00 H new ATOM 121 N THR A 9 16.980 7.166 -8.134 1.00 0.00 N ATOM 122 CA THR A 9 16.945 7.104 -9.595 1.00 0.00 C ATOM 123 C THR A 9 16.913 5.669 -10.129 1.00 0.00 C ATOM 124 O THR A 9 17.513 4.761 -9.551 1.00 0.00 O ATOM 125 CB THR A 9 18.166 7.838 -10.201 1.00 0.00 C ATOM 126 OG1 THR A 9 18.292 9.149 -9.625 1.00 0.00 O ATOM 127 CG2 THR A 9 18.050 7.963 -11.719 1.00 0.00 C ATOM 0 H THR A 9 17.916 7.096 -7.734 1.00 0.00 H new ATOM 0 HA THR A 9 16.020 7.595 -9.897 1.00 0.00 H new ATOM 0 HB THR A 9 19.052 7.246 -9.971 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.068 9.604 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 9 18.925 8.483 -12.109 1.00 0.00 H new ATOM 0 HG22 THR A 9 17.991 6.969 -12.162 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.151 8.526 -11.970 1.00 0.00 H new ATOM 135 N ARG A 10 16.167 5.492 -11.226 1.00 0.00 N ATOM 136 CA ARG A 10 16.104 4.242 -12.003 1.00 0.00 C ATOM 137 C ARG A 10 15.638 3.034 -11.174 1.00 0.00 C ATOM 138 O ARG A 10 15.576 1.913 -11.677 1.00 0.00 O ATOM 139 CB ARG A 10 17.485 3.970 -12.628 1.00 0.00 C ATOM 140 CG ARG A 10 17.531 2.793 -13.601 1.00 0.00 C ATOM 141 CD ARG A 10 18.940 2.566 -14.137 1.00 0.00 C ATOM 142 NE ARG A 10 19.921 2.471 -13.053 1.00 0.00 N ATOM 143 CZ ARG A 10 20.405 1.327 -12.573 1.00 0.00 C ATOM 144 NH1 ARG A 10 19.992 0.165 -13.061 1.00 0.00 N ATOM 145 NH2 ARG A 10 21.291 1.347 -11.588 1.00 0.00 N ATOM 0 H ARG A 10 15.576 6.229 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 10 15.354 4.376 -12.782 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.814 4.868 -13.151 1.00 0.00 H new ATOM 0 HB3 ARG A 10 18.201 3.788 -11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.182 1.891 -13.099 1.00 0.00 H new ATOM 0 HG3 ARG A 10 16.850 2.979 -14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 10 18.962 1.651 -14.729 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.212 3.384 -14.804 1.00 0.00 H new ATOM 0 HE ARG A 10 20.256 3.340 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.299 0.143 -13.809 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.367 -0.707 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.601 2.237 -11.199 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.663 0.472 -11.219 1.00 0.00 H new ATOM 159 N VAL A 11 15.277 3.263 -9.920 1.00 0.00 N ATOM 160 CA VAL A 11 14.634 2.237 -9.110 1.00 0.00 C ATOM 161 C VAL A 11 13.193 2.634 -8.823 1.00 0.00 C ATOM 162 O VAL A 11 12.264 1.845 -9.004 1.00 0.00 O ATOM 163 CB VAL A 11 15.408 1.964 -7.787 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.570 3.238 -6.960 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.721 0.867 -6.973 1.00 0.00 C ATOM 0 H VAL A 11 15.418 4.152 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 11 14.644 1.307 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 11 16.406 1.617 -8.053 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.115 3.010 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.124 3.978 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.587 3.636 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.279 0.693 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.705 1.178 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.688 -0.053 -7.557 1.00 0.00 H new ATOM 175 N LYS A 12 13.007 3.890 -8.426 1.00 0.00 N ATOM 176 CA LYS A 12 11.695 4.374 -8.015 1.00 0.00 C ATOM 177 C LYS A 12 10.864 4.754 -9.230 1.00 0.00 C ATOM 178 O LYS A 12 9.649 4.595 -9.230 1.00 0.00 O ATOM 179 CB LYS A 12 11.847 5.575 -7.074 1.00 0.00 C ATOM 180 CG LYS A 12 12.822 5.325 -5.927 1.00 0.00 C ATOM 181 CD LYS A 12 12.370 4.192 -5.003 1.00 0.00 C ATOM 182 CE LYS A 12 11.261 4.637 -4.060 1.00 0.00 C ATOM 183 NZ LYS A 12 11.723 5.708 -3.136 1.00 0.00 N ATOM 0 H LYS A 12 13.748 4.589 -8.381 1.00 0.00 H new ATOM 0 HA LYS A 12 11.179 3.575 -7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.186 6.437 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.871 5.831 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.803 5.085 -6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.934 6.240 -5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.021 3.352 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.221 3.837 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.412 4.998 -4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.911 3.783 -3.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.676 5.365 -2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.704 5.965 -3.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.113 6.544 -3.240 1.00 0.00 H new ATOM 197 N LEU A 13 11.537 5.235 -10.273 1.00 0.00 N ATOM 198 CA LEU A 13 10.865 5.677 -11.493 1.00 0.00 C ATOM 199 C LEU A 13 10.088 4.530 -12.140 1.00 0.00 C ATOM 200 O LEU A 13 8.978 4.727 -12.632 1.00 0.00 O ATOM 201 CB LEU A 13 11.871 6.274 -12.492 1.00 0.00 C ATOM 202 CG LEU A 13 12.433 7.664 -12.123 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.318 7.600 -10.878 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.201 8.267 -13.298 1.00 0.00 C ATOM 0 H LEU A 13 12.552 5.329 -10.297 1.00 0.00 H new ATOM 0 HA LEU A 13 10.155 6.456 -11.214 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.706 5.581 -12.598 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.389 6.344 -13.467 1.00 0.00 H new ATOM 0 HG LEU A 13 11.586 8.310 -11.894 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.696 8.596 -10.648 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.734 7.230 -10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.156 6.928 -11.062 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.588 9.246 -13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.030 7.612 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.533 8.374 -14.153 1.00 0.00 H new ATOM 216 N ASN A 14 10.671 3.331 -12.130 1.00 0.00 N ATOM 217 CA ASN A 14 9.994 2.150 -12.675 1.00 0.00 C ATOM 218 C ASN A 14 8.736 1.859 -11.863 1.00 0.00 C ATOM 219 O ASN A 14 7.641 1.676 -12.413 1.00 0.00 O ATOM 220 CB ASN A 14 10.925 0.927 -12.660 1.00 0.00 C ATOM 221 CG ASN A 14 10.280 -0.312 -13.271 1.00 0.00 C ATOM 222 OD1 ASN A 14 9.454 -0.217 -14.179 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.656 -1.487 -12.780 1.00 0.00 N ATOM 0 H ASN A 14 11.602 3.151 -11.755 1.00 0.00 H new ATOM 0 HA ASN A 14 9.719 2.355 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.838 1.164 -13.207 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.217 0.710 -11.632 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.258 -2.348 -13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 14 11.343 -1.529 -12.027 1.00 0.00 H new ATOM 230 N TYR A 15 8.902 1.844 -10.540 1.00 0.00 N ATOM 231 CA TYR A 15 7.789 1.619 -9.628 1.00 0.00 C ATOM 232 C TYR A 15 6.689 2.647 -9.876 1.00 0.00 C ATOM 233 O TYR A 15 5.514 2.296 -9.960 1.00 0.00 O ATOM 234 CB TYR A 15 8.258 1.688 -8.167 1.00 0.00 C ATOM 235 CG TYR A 15 7.143 1.463 -7.157 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.715 0.176 -6.838 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.513 2.535 -6.527 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.699 -0.033 -5.926 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.497 2.331 -5.614 1.00 0.00 C ATOM 240 CZ TYR A 15 5.093 1.047 -5.319 1.00 0.00 C ATOM 241 OH TYR A 15 4.084 0.841 -4.410 1.00 0.00 O ATOM 0 H TYR A 15 9.801 1.986 -10.079 1.00 0.00 H new ATOM 0 HA TYR A 15 7.391 0.622 -9.814 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.036 0.941 -8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.710 2.663 -7.985 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.186 -0.673 -7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.825 3.543 -6.757 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.381 -1.037 -5.689 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.022 3.173 -5.134 1.00 0.00 H new ATOM 0 HH TYR A 15 4.081 -0.099 -4.132 1.00 0.00 H new ATOM 251 N LEU A 16 7.088 3.912 -9.999 1.00 0.00 N ATOM 252 CA LEU A 16 6.151 5.001 -10.260 1.00 0.00 C ATOM 253 C LEU A 16 5.413 4.766 -11.569 1.00 0.00 C ATOM 254 O LEU A 16 4.195 4.914 -11.642 1.00 0.00 O ATOM 255 CB LEU A 16 6.887 6.347 -10.314 1.00 0.00 C ATOM 256 CG LEU A 16 7.517 6.809 -8.991 1.00 0.00 C ATOM 257 CD1 LEU A 16 8.235 8.141 -9.174 1.00 0.00 C ATOM 258 CD2 LEU A 16 6.461 6.910 -7.893 1.00 0.00 C ATOM 0 H LEU A 16 8.061 4.208 -9.921 1.00 0.00 H new ATOM 0 HA LEU A 16 5.428 5.028 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.672 6.282 -11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.186 7.112 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 16 8.252 6.064 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.674 8.451 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.022 8.031 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.523 8.896 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.930 7.239 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.697 7.629 -8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.000 5.934 -7.740 1.00 0.00 H new ATOM 270 N ASP A 17 6.167 4.378 -12.592 1.00 0.00 N ATOM 271 CA ASP A 17 5.611 4.126 -13.915 1.00 0.00 C ATOM 272 C ASP A 17 4.456 3.133 -13.837 1.00 0.00 C ATOM 273 O ASP A 17 3.342 3.428 -14.274 1.00 0.00 O ATOM 274 CB ASP A 17 6.701 3.598 -14.858 1.00 0.00 C ATOM 275 CG ASP A 17 6.167 3.263 -16.243 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.958 4.196 -17.049 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.969 2.067 -16.543 1.00 0.00 O ATOM 0 H ASP A 17 7.174 4.230 -12.528 1.00 0.00 H new ATOM 0 HA ASP A 17 5.228 5.067 -14.310 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.490 4.344 -14.948 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.153 2.707 -14.422 1.00 0.00 H new ATOM 282 N GLN A 18 4.716 1.967 -13.252 1.00 0.00 N ATOM 283 CA GLN A 18 3.701 0.913 -13.182 1.00 0.00 C ATOM 284 C GLN A 18 2.594 1.239 -12.165 1.00 0.00 C ATOM 285 O GLN A 18 1.406 1.048 -12.457 1.00 0.00 O ATOM 286 CB GLN A 18 4.353 -0.457 -12.900 1.00 0.00 C ATOM 287 CG GLN A 18 5.366 -0.487 -11.748 1.00 0.00 C ATOM 288 CD GLN A 18 4.829 -1.131 -10.478 1.00 0.00 C ATOM 289 OE1 GLN A 18 4.902 -2.348 -10.308 1.00 0.00 O ATOM 290 NE2 GLN A 18 4.321 -0.326 -9.561 1.00 0.00 N ATOM 0 H GLN A 18 5.610 1.727 -12.823 1.00 0.00 H new ATOM 0 HA GLN A 18 3.216 0.860 -14.157 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.564 -1.177 -12.684 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.853 -0.795 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.255 -1.029 -12.072 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.678 0.533 -11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.275 0.678 -9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.975 -0.709 -8.681 1.00 0.00 H new ATOM 299 N ILE A 19 2.978 1.779 -11.001 1.00 0.00 N ATOM 300 CA ILE A 19 2.023 2.029 -9.910 1.00 0.00 C ATOM 301 C ILE A 19 1.065 3.159 -10.281 1.00 0.00 C ATOM 302 O ILE A 19 -0.062 3.227 -9.785 1.00 0.00 O ATOM 303 CB ILE A 19 2.742 2.383 -8.570 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.800 2.193 -7.366 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.282 3.814 -8.592 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.471 0.744 -7.069 1.00 0.00 C ATOM 0 H ILE A 19 3.938 2.051 -10.790 1.00 0.00 H new ATOM 0 HA ILE A 19 1.464 1.105 -9.764 1.00 0.00 H new ATOM 0 HB ILE A 19 3.583 1.698 -8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.259 2.640 -6.484 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.873 2.735 -7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.777 4.031 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.997 3.921 -9.408 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.458 4.512 -8.738 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.804 0.691 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.983 0.297 -7.935 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.390 0.200 -6.849 1.00 0.00 H new ATOM 318 N ALA A 20 1.528 4.052 -11.146 1.00 0.00 N ATOM 319 CA ALA A 20 0.708 5.154 -11.615 1.00 0.00 C ATOM 320 C ALA A 20 -0.123 4.720 -12.813 1.00 0.00 C ATOM 321 O ALA A 20 -1.344 4.839 -12.798 1.00 0.00 O ATOM 322 CB ALA A 20 1.577 6.357 -11.970 1.00 0.00 C ATOM 0 H ALA A 20 2.470 4.032 -11.536 1.00 0.00 H new ATOM 0 HA ALA A 20 0.031 5.449 -10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.944 7.173 -12.319 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.130 6.679 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.279 6.080 -12.757 1.00 0.00 H new ATOM 328 N LYS A 21 0.545 4.175 -13.828 1.00 0.00 N ATOM 329 CA LYS A 21 -0.103 3.854 -15.099 1.00 0.00 C ATOM 330 C LYS A 21 -1.246 2.855 -14.924 1.00 0.00 C ATOM 331 O LYS A 21 -2.348 3.087 -15.426 1.00 0.00 O ATOM 332 CB LYS A 21 0.922 3.312 -16.106 1.00 0.00 C ATOM 333 CG LYS A 21 0.353 3.066 -17.503 1.00 0.00 C ATOM 334 CD LYS A 21 -0.121 4.361 -18.162 1.00 0.00 C ATOM 335 CE LYS A 21 -0.749 4.105 -19.529 1.00 0.00 C ATOM 336 NZ LYS A 21 0.198 3.446 -20.468 1.00 0.00 N ATOM 0 H LYS A 21 1.538 3.946 -13.795 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.529 4.780 -15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.750 4.017 -16.181 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.333 2.378 -15.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.114 2.598 -18.128 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.480 2.366 -17.438 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.847 4.853 -17.515 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.722 5.043 -18.271 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.634 3.479 -19.409 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.083 5.051 -19.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.215 3.429 -21.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.093 3.975 -20.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.379 2.472 -20.152 1.00 0.00 H new ATOM 350 N PHE A 22 -0.996 1.752 -14.216 1.00 0.00 N ATOM 351 CA PHE A 22 -2.029 0.728 -14.042 1.00 0.00 C ATOM 352 C PHE A 22 -3.283 1.331 -13.411 1.00 0.00 C ATOM 353 O PHE A 22 -4.380 1.260 -13.972 1.00 0.00 O ATOM 354 CB PHE A 22 -1.517 -0.439 -13.180 1.00 0.00 C ATOM 355 CG PHE A 22 -2.610 -1.395 -12.750 1.00 0.00 C ATOM 356 CD1 PHE A 22 -3.138 -2.322 -13.638 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.114 -1.352 -11.458 1.00 0.00 C ATOM 358 CE1 PHE A 22 -4.144 -3.185 -13.240 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.117 -2.210 -11.055 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.634 -3.128 -11.947 1.00 0.00 C ATOM 0 H PHE A 22 -0.106 1.546 -13.762 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.280 0.341 -15.029 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.762 -0.991 -13.740 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.026 -0.038 -12.293 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.760 -2.370 -14.649 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.715 -0.635 -10.756 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.547 -3.903 -13.939 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.496 -2.163 -10.045 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.420 -3.801 -11.636 1.00 0.00 H new ATOM 370 N TRP A 23 -3.096 1.952 -12.260 1.00 0.00 N ATOM 371 CA TRP A 23 -4.193 2.491 -11.475 1.00 0.00 C ATOM 372 C TRP A 23 -4.818 3.716 -12.151 1.00 0.00 C ATOM 373 O TRP A 23 -6.014 3.979 -11.993 1.00 0.00 O ATOM 374 CB TRP A 23 -3.682 2.828 -10.071 1.00 0.00 C ATOM 375 CG TRP A 23 -4.729 3.357 -9.144 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.677 4.527 -8.460 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.975 2.740 -8.798 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.817 4.694 -7.720 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.630 3.607 -7.904 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.604 1.546 -9.159 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.879 3.316 -7.364 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.844 1.259 -8.624 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.471 2.140 -7.735 1.00 0.00 C ATOM 0 H TRP A 23 -2.177 2.097 -11.842 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.981 1.741 -11.400 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.244 1.932 -9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.883 3.564 -10.155 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.855 5.226 -8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.027 5.498 -7.128 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.129 0.860 -9.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.363 3.994 -6.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.339 0.339 -8.896 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.441 1.886 -7.334 1.00 0.00 H new ATOM 394 N GLU A 24 -4.017 4.445 -12.926 1.00 0.00 N ATOM 395 CA GLU A 24 -4.499 5.636 -13.629 1.00 0.00 C ATOM 396 C GLU A 24 -5.462 5.230 -14.748 1.00 0.00 C ATOM 397 O GLU A 24 -6.336 5.999 -15.151 1.00 0.00 O ATOM 398 CB GLU A 24 -3.312 6.426 -14.204 1.00 0.00 C ATOM 399 CG GLU A 24 -3.685 7.747 -14.863 1.00 0.00 C ATOM 400 CD GLU A 24 -2.473 8.478 -15.422 1.00 0.00 C ATOM 401 OE1 GLU A 24 -1.833 9.247 -14.672 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.145 8.282 -16.611 1.00 0.00 O ATOM 0 H GLU A 24 -3.032 4.233 -13.084 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.032 6.273 -12.924 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.602 6.624 -13.401 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.799 5.803 -14.936 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.397 7.561 -15.667 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.187 8.384 -14.135 1.00 0.00 H new ATOM 409 N ILE A 25 -5.286 4.007 -15.243 1.00 0.00 N ATOM 410 CA ILE A 25 -6.133 3.464 -16.302 1.00 0.00 C ATOM 411 C ILE A 25 -7.292 2.658 -15.707 1.00 0.00 C ATOM 412 O ILE A 25 -8.267 2.343 -16.392 1.00 0.00 O ATOM 413 CB ILE A 25 -5.301 2.580 -17.272 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.174 3.409 -17.914 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.181 1.943 -18.349 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.660 4.619 -18.687 1.00 0.00 C ATOM 0 H ILE A 25 -4.557 3.368 -14.924 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.547 4.299 -16.867 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.858 1.771 -16.691 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.491 3.741 -17.132 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.603 2.768 -18.585 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.564 1.332 -19.008 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.938 1.317 -17.877 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.669 2.726 -18.930 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.806 5.149 -19.108 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.319 4.295 -19.493 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.205 5.284 -18.017 1.00 0.00 H new ATOM 428 N GLN A 26 -7.197 2.354 -14.415 1.00 0.00 N ATOM 429 CA GLN A 26 -8.238 1.589 -13.718 1.00 0.00 C ATOM 430 C GLN A 26 -9.422 2.500 -13.345 1.00 0.00 C ATOM 431 O GLN A 26 -9.983 2.396 -12.253 1.00 0.00 O ATOM 432 CB GLN A 26 -7.637 0.916 -12.462 1.00 0.00 C ATOM 433 CG GLN A 26 -7.995 -0.564 -12.312 1.00 0.00 C ATOM 434 CD GLN A 26 -9.463 -0.808 -12.001 1.00 0.00 C ATOM 435 OE1 GLN A 26 -10.114 -0.013 -11.323 1.00 0.00 O ATOM 436 NE2 GLN A 26 -10.000 -1.910 -12.503 1.00 0.00 N ATOM 0 H GLN A 26 -6.410 2.624 -13.825 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.615 0.812 -14.383 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.552 1.014 -12.495 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.979 1.453 -11.577 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.736 -1.087 -13.233 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.387 -0.997 -11.518 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.431 -2.547 -13.061 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.983 -2.122 -12.332 1.00 0.00 H new ATOM 445 N GLY A 27 -9.798 3.388 -14.271 1.00 0.00 N ATOM 446 CA GLY A 27 -10.908 4.307 -14.045 1.00 0.00 C ATOM 447 C GLY A 27 -10.722 5.152 -12.801 1.00 0.00 C ATOM 448 O GLY A 27 -11.693 5.630 -12.208 1.00 0.00 O ATOM 0 H GLY A 27 -9.348 3.486 -15.181 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.016 4.961 -14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.834 3.738 -13.958 1.00 0.00 H new ATOM 452 N SER A 28 -9.469 5.346 -12.412 1.00 0.00 N ATOM 453 CA SER A 28 -9.146 6.032 -11.171 1.00 0.00 C ATOM 454 C SER A 28 -7.847 6.825 -11.328 1.00 0.00 C ATOM 455 O SER A 28 -7.294 6.907 -12.428 1.00 0.00 O ATOM 456 CB SER A 28 -9.021 5.000 -10.042 1.00 0.00 C ATOM 457 OG SER A 28 -10.176 4.172 -9.973 1.00 0.00 O ATOM 0 H SER A 28 -8.656 5.035 -12.943 1.00 0.00 H new ATOM 0 HA SER A 28 -9.942 6.735 -10.924 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.137 4.383 -10.205 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.880 5.513 -9.091 1.00 0.00 H new ATOM 0 HG SER A 28 -10.165 3.532 -10.715 1.00 0.00 H new ATOM 463 N SER A 29 -7.373 7.418 -10.237 1.00 0.00 N ATOM 464 CA SER A 29 -6.116 8.157 -10.242 1.00 0.00 C ATOM 465 C SER A 29 -5.305 7.827 -8.990 1.00 0.00 C ATOM 466 O SER A 29 -5.871 7.585 -7.918 1.00 0.00 O ATOM 467 CB SER A 29 -6.384 9.664 -10.335 1.00 0.00 C ATOM 468 OG SER A 29 -7.228 10.108 -9.283 1.00 0.00 O ATOM 0 H SER A 29 -7.844 7.400 -9.333 1.00 0.00 H new ATOM 0 HA SER A 29 -5.536 7.859 -11.116 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.439 10.206 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.846 9.894 -11.295 1.00 0.00 H new ATOM 0 HG SER A 29 -7.378 11.073 -9.369 1.00 0.00 H new ATOM 474 N LEU A 30 -3.984 7.801 -9.131 1.00 0.00 N ATOM 475 CA LEU A 30 -3.103 7.454 -8.023 1.00 0.00 C ATOM 476 C LEU A 30 -3.045 8.585 -7.005 1.00 0.00 C ATOM 477 O LEU A 30 -2.604 9.694 -7.317 1.00 0.00 O ATOM 478 CB LEU A 30 -1.697 7.124 -8.537 1.00 0.00 C ATOM 479 CG LEU A 30 -0.697 6.661 -7.463 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.199 5.405 -6.752 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.672 6.417 -8.084 1.00 0.00 C ATOM 0 H LEU A 30 -3.500 8.016 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.508 6.570 -7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.778 6.344 -9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.292 8.007 -9.031 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.605 7.452 -6.719 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.474 5.099 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.154 5.616 -6.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.328 4.603 -7.478 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.369 6.090 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.592 5.646 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.037 7.340 -8.535 1.00 0.00 H new ATOM 493 N LYS A 31 -3.504 8.303 -5.791 1.00 0.00 N ATOM 494 CA LYS A 31 -3.491 9.283 -4.714 1.00 0.00 C ATOM 495 C LYS A 31 -2.684 8.761 -3.529 1.00 0.00 C ATOM 496 O LYS A 31 -3.193 7.999 -2.701 1.00 0.00 O ATOM 497 CB LYS A 31 -4.926 9.627 -4.273 1.00 0.00 C ATOM 498 CG LYS A 31 -5.024 10.726 -3.205 1.00 0.00 C ATOM 499 CD LYS A 31 -4.992 12.145 -3.792 1.00 0.00 C ATOM 500 CE LYS A 31 -3.662 12.490 -4.459 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.651 13.880 -4.982 1.00 0.00 N ATOM 0 H LYS A 31 -3.892 7.397 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.018 10.192 -5.085 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.496 9.939 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.400 8.723 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.947 10.594 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.201 10.613 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.795 12.247 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.190 12.865 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.852 12.366 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.473 11.793 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.732 14.076 -5.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.408 13.992 -5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.806 14.547 -4.199 1.00 0.00 H new ATOM 515 N ILE A 32 -1.417 9.154 -3.471 1.00 0.00 N ATOM 516 CA ILE A 32 -0.547 8.822 -2.349 1.00 0.00 C ATOM 517 C ILE A 32 0.011 10.105 -1.724 1.00 0.00 C ATOM 518 O ILE A 32 1.109 10.554 -2.055 1.00 0.00 O ATOM 519 CB ILE A 32 0.606 7.864 -2.766 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.314 8.370 -4.039 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.073 6.445 -2.972 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.457 7.487 -4.501 1.00 0.00 C ATOM 0 H ILE A 32 -0.965 9.710 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.146 8.293 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 32 1.340 7.845 -1.960 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.582 8.449 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.696 9.374 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.892 5.787 -3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.369 6.084 -2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.684 6.451 -3.756 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.903 7.910 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.211 7.427 -3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.080 6.488 -4.719 1.00 0.00 H new ATOM 534 N PRO A 33 -0.780 10.740 -0.835 1.00 0.00 N ATOM 535 CA PRO A 33 -0.391 11.989 -0.166 1.00 0.00 C ATOM 536 C PRO A 33 0.799 11.800 0.771 1.00 0.00 C ATOM 537 O PRO A 33 1.225 10.672 1.038 1.00 0.00 O ATOM 538 CB PRO A 33 -1.649 12.380 0.639 1.00 0.00 C ATOM 539 CG PRO A 33 -2.756 11.582 0.039 1.00 0.00 C ATOM 540 CD PRO A 33 -2.120 10.300 -0.413 1.00 0.00 C ATOM 0 HA PRO A 33 -0.075 12.748 -0.882 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.527 12.151 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.848 13.449 0.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.545 11.394 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.213 12.111 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.071 9.566 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.673 9.840 -1.232 1.00 0.00 H new ATOM 548 N ASN A 34 1.331 12.907 1.271 1.00 0.00 N ATOM 549 CA ASN A 34 2.403 12.864 2.249 1.00 0.00 C ATOM 550 C ASN A 34 1.879 13.244 3.619 1.00 0.00 C ATOM 551 O ASN A 34 1.119 14.201 3.775 1.00 0.00 O ATOM 552 CB ASN A 34 3.591 13.756 1.842 1.00 0.00 C ATOM 553 CG ASN A 34 3.198 15.157 1.398 1.00 0.00 C ATOM 554 OD1 ASN A 34 2.197 15.715 1.844 1.00 0.00 O ATOM 555 ND2 ASN A 34 3.998 15.739 0.519 1.00 0.00 N ATOM 0 H ASN A 34 1.034 13.848 1.012 1.00 0.00 H new ATOM 0 HA ASN A 34 2.776 11.840 2.289 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.278 13.834 2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.135 13.270 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.793 16.682 0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.820 15.244 0.172 1.00 0.00 H new ATOM 562 N VAL A 35 2.277 12.455 4.594 1.00 0.00 N ATOM 563 CA VAL A 35 1.877 12.647 5.977 1.00 0.00 C ATOM 564 C VAL A 35 3.130 12.770 6.841 1.00 0.00 C ATOM 565 O VAL A 35 4.109 12.051 6.617 1.00 0.00 O ATOM 566 CB VAL A 35 0.987 11.472 6.473 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.727 10.141 6.371 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.494 11.720 7.899 1.00 0.00 C ATOM 0 H VAL A 35 2.893 11.655 4.451 1.00 0.00 H new ATOM 0 HA VAL A 35 1.285 13.559 6.053 1.00 0.00 H new ATOM 0 HB VAL A 35 0.114 11.418 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.081 9.337 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.001 9.956 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.628 10.178 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.126 10.883 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.349 11.816 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.093 12.638 7.926 1.00 0.00 H new ATOM 578 N GLU A 36 3.121 13.704 7.794 1.00 0.00 N ATOM 579 CA GLU A 36 4.293 13.941 8.643 1.00 0.00 C ATOM 580 C GLU A 36 5.469 14.412 7.791 1.00 0.00 C ATOM 581 O GLU A 36 6.626 14.213 8.155 1.00 0.00 O ATOM 582 CB GLU A 36 4.666 12.681 9.435 1.00 0.00 C ATOM 583 CG GLU A 36 3.543 12.151 10.326 1.00 0.00 C ATOM 584 CD GLU A 36 2.967 13.212 11.254 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.715 13.735 12.106 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.761 13.524 11.143 1.00 0.00 O ATOM 0 H GLU A 36 2.322 14.305 7.997 1.00 0.00 H new ATOM 0 HA GLU A 36 4.045 14.722 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.961 11.899 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.536 12.898 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.745 11.754 9.698 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.922 11.321 10.923 1.00 0.00 H new ATOM 593 N ARG A 37 5.123 14.978 6.631 1.00 0.00 N ATOM 594 CA ARG A 37 6.064 15.524 5.633 1.00 0.00 C ATOM 595 C ARG A 37 6.836 14.407 4.924 1.00 0.00 C ATOM 596 O ARG A 37 7.809 14.659 4.208 1.00 0.00 O ATOM 597 CB ARG A 37 7.016 16.591 6.234 1.00 0.00 C ATOM 598 CG ARG A 37 8.270 16.050 6.934 1.00 0.00 C ATOM 599 CD ARG A 37 8.440 16.649 8.326 1.00 0.00 C ATOM 600 NE ARG A 37 8.568 18.108 8.279 1.00 0.00 N ATOM 601 CZ ARG A 37 8.478 18.905 9.344 1.00 0.00 C ATOM 602 NH1 ARG A 37 8.286 18.396 10.555 1.00 0.00 N ATOM 603 NH2 ARG A 37 8.585 20.216 9.191 1.00 0.00 N ATOM 0 H ARG A 37 4.148 15.075 6.346 1.00 0.00 H new ATOM 0 HA ARG A 37 5.464 16.038 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.330 17.262 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.453 17.190 6.950 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.205 14.965 7.010 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.150 16.275 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.584 16.379 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.324 16.222 8.800 1.00 0.00 H new ATOM 0 HE ARG A 37 8.737 18.542 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.206 17.387 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.219 19.014 11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.735 20.611 8.262 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.517 20.831 10.002 1.00 0.00 H new ATOM 617 N ARG A 38 6.370 13.176 5.101 1.00 0.00 N ATOM 618 CA ARG A 38 6.899 12.029 4.373 1.00 0.00 C ATOM 619 C ARG A 38 5.797 11.438 3.500 1.00 0.00 C ATOM 620 O ARG A 38 4.661 11.299 3.948 1.00 0.00 O ATOM 621 CB ARG A 38 7.435 10.965 5.348 1.00 0.00 C ATOM 622 CG ARG A 38 7.837 9.654 4.672 1.00 0.00 C ATOM 623 CD ARG A 38 8.938 9.859 3.635 1.00 0.00 C ATOM 624 NE ARG A 38 9.072 8.700 2.752 1.00 0.00 N ATOM 625 CZ ARG A 38 10.045 8.540 1.852 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.024 9.432 1.746 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.038 7.477 1.066 1.00 0.00 N ATOM 0 H ARG A 38 5.618 12.946 5.750 1.00 0.00 H new ATOM 0 HA ARG A 38 7.727 12.357 3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.299 11.371 5.875 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.673 10.757 6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.178 8.946 5.428 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.964 9.211 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.718 10.746 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.886 10.042 4.142 1.00 0.00 H new ATOM 0 HE ARG A 38 8.372 7.962 2.830 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.037 10.249 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.762 9.299 1.055 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.293 6.786 1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.778 7.348 0.376 1.00 0.00 H new ATOM 641 N ILE A 39 6.123 11.100 2.254 1.00 0.00 N ATOM 642 CA ILE A 39 5.139 10.513 1.350 1.00 0.00 C ATOM 643 C ILE A 39 4.693 9.150 1.871 1.00 0.00 C ATOM 644 O ILE A 39 5.476 8.429 2.497 1.00 0.00 O ATOM 645 CB ILE A 39 5.684 10.356 -0.097 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.586 9.791 -1.023 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.929 9.466 -0.114 1.00 0.00 C ATOM 648 CD1 ILE A 39 5.037 9.540 -2.447 1.00 0.00 C ATOM 0 H ILE A 39 7.052 11.221 1.851 1.00 0.00 H new ATOM 0 HA ILE A 39 4.292 11.198 1.316 1.00 0.00 H new ATOM 0 HB ILE A 39 5.973 11.339 -0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.218 8.856 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.747 10.486 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.294 9.370 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.705 9.914 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.677 8.480 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.204 9.144 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.377 10.476 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.855 8.820 -2.448 1.00 0.00 H new ATOM 660 N LEU A 40 3.431 8.816 1.629 1.00 0.00 N ATOM 661 CA LEU A 40 2.902 7.520 2.013 1.00 0.00 C ATOM 662 C LEU A 40 3.557 6.444 1.147 1.00 0.00 C ATOM 663 O LEU A 40 3.205 6.275 -0.025 1.00 0.00 O ATOM 664 CB LEU A 40 1.374 7.498 1.851 1.00 0.00 C ATOM 665 CG LEU A 40 0.654 6.336 2.552 1.00 0.00 C ATOM 666 CD1 LEU A 40 0.839 6.431 4.067 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.828 6.316 2.183 1.00 0.00 C ATOM 0 H LEU A 40 2.757 9.428 1.168 1.00 0.00 H new ATOM 0 HA LEU A 40 3.127 7.324 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.972 8.436 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.139 7.460 0.787 1.00 0.00 H new ATOM 0 HG LEU A 40 1.096 5.400 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.323 5.601 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.901 6.387 4.307 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.425 7.373 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.318 5.485 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.292 7.253 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.933 6.195 1.105 1.00 0.00 H new ATOM 679 N ASP A 41 4.526 5.736 1.721 1.00 0.00 N ATOM 680 CA ASP A 41 5.306 4.754 0.973 1.00 0.00 C ATOM 681 C ASP A 41 4.467 3.530 0.632 1.00 0.00 C ATOM 682 O ASP A 41 4.448 2.547 1.375 1.00 0.00 O ATOM 683 CB ASP A 41 6.562 4.323 1.754 1.00 0.00 C ATOM 684 CG ASP A 41 7.707 5.319 1.646 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.399 5.324 0.604 1.00 0.00 O ATOM 686 OD2 ASP A 41 7.939 6.090 2.600 1.00 0.00 O ATOM 0 H ASP A 41 4.790 5.824 2.702 1.00 0.00 H new ATOM 0 HA ASP A 41 5.621 5.233 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.301 4.192 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.896 3.354 1.385 1.00 0.00 H new ATOM 691 N LEU A 42 3.759 3.610 -0.491 1.00 0.00 N ATOM 692 CA LEU A 42 3.004 2.476 -1.020 1.00 0.00 C ATOM 693 C LEU A 42 3.970 1.320 -1.287 1.00 0.00 C ATOM 694 O LEU A 42 3.629 0.148 -1.118 1.00 0.00 O ATOM 695 CB LEU A 42 2.269 2.898 -2.312 1.00 0.00 C ATOM 696 CG LEU A 42 0.985 2.110 -2.670 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.289 2.746 -3.874 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.283 0.637 -2.949 1.00 0.00 C ATOM 0 H LEU A 42 3.692 4.456 -1.057 1.00 0.00 H new ATOM 0 HA LEU A 42 2.256 2.149 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.008 3.953 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.966 2.809 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 42 0.320 2.155 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.612 2.181 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.020 3.775 -3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.963 2.736 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.356 0.119 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.977 0.558 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.728 0.182 -2.064 1.00 0.00 H new ATOM 710 N TYR A 43 5.190 1.680 -1.688 1.00 0.00 N ATOM 711 CA TYR A 43 6.258 0.717 -1.944 1.00 0.00 C ATOM 712 C TYR A 43 6.497 -0.143 -0.697 1.00 0.00 C ATOM 713 O TYR A 43 6.252 -1.358 -0.696 1.00 0.00 O ATOM 714 CB TYR A 43 7.544 1.479 -2.328 1.00 0.00 C ATOM 715 CG TYR A 43 8.491 0.727 -3.250 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.662 -0.651 -3.156 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.222 1.411 -4.219 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.529 -1.321 -4.000 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.087 0.749 -5.064 1.00 0.00 C ATOM 720 CZ TYR A 43 10.239 -0.616 -4.952 1.00 0.00 C ATOM 721 OH TYR A 43 11.103 -1.279 -5.793 1.00 0.00 O ATOM 0 H TYR A 43 5.464 2.650 -1.844 1.00 0.00 H new ATOM 0 HA TYR A 43 5.972 0.060 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.262 2.416 -2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.080 1.738 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.109 -1.206 -2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.109 2.481 -4.310 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.650 -2.391 -3.915 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.643 1.297 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 43 11.522 -0.637 -6.404 1.00 0.00 H new ATOM 731 N SER A 44 6.950 0.509 0.371 1.00 0.00 N ATOM 732 CA SER A 44 7.201 -0.166 1.637 1.00 0.00 C ATOM 733 C SER A 44 5.930 -0.838 2.146 1.00 0.00 C ATOM 734 O SER A 44 5.970 -1.953 2.654 1.00 0.00 O ATOM 735 CB SER A 44 7.727 0.836 2.672 1.00 0.00 C ATOM 736 OG SER A 44 8.850 1.543 2.169 1.00 0.00 O ATOM 0 H SER A 44 7.151 1.509 0.382 1.00 0.00 H new ATOM 0 HA SER A 44 7.956 -0.936 1.478 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.938 1.540 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.003 0.310 3.586 1.00 0.00 H new ATOM 0 HG SER A 44 9.167 2.177 2.845 1.00 0.00 H new ATOM 742 N LEU A 45 4.802 -0.155 1.984 1.00 0.00 N ATOM 743 CA LEU A 45 3.505 -0.683 2.396 1.00 0.00 C ATOM 744 C LEU A 45 3.271 -2.067 1.799 1.00 0.00 C ATOM 745 O LEU A 45 3.010 -3.026 2.522 1.00 0.00 O ATOM 746 CB LEU A 45 2.382 0.272 1.958 1.00 0.00 C ATOM 747 CG LEU A 45 0.949 -0.263 2.119 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.635 -0.562 3.582 1.00 0.00 C ATOM 749 CD2 LEU A 45 -0.061 0.722 1.532 1.00 0.00 C ATOM 0 H LEU A 45 4.760 0.775 1.566 1.00 0.00 H new ATOM 0 HA LEU A 45 3.499 -0.768 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.472 1.195 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.538 0.530 0.911 1.00 0.00 H new ATOM 0 HG LEU A 45 0.873 -1.199 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.384 -0.939 3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.331 -1.312 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.734 0.351 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.069 0.326 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.019 1.678 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.145 0.866 0.471 1.00 0.00 H new ATOM 761 N SER A 46 3.415 -2.167 0.485 1.00 0.00 N ATOM 762 CA SER A 46 3.088 -3.392 -0.227 1.00 0.00 C ATOM 763 C SER A 46 4.067 -4.500 0.137 1.00 0.00 C ATOM 764 O SER A 46 3.663 -5.632 0.437 1.00 0.00 O ATOM 765 CB SER A 46 3.075 -3.138 -1.741 1.00 0.00 C ATOM 766 OG SER A 46 4.262 -2.486 -2.168 1.00 0.00 O ATOM 0 H SER A 46 3.757 -1.412 -0.110 1.00 0.00 H new ATOM 0 HA SER A 46 2.091 -3.717 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.969 -4.085 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.210 -2.529 -2.002 1.00 0.00 H new ATOM 0 HG SER A 46 4.795 -2.232 -1.386 1.00 0.00 H new ATOM 772 N LYS A 47 5.358 -4.165 0.157 1.00 0.00 N ATOM 773 CA LYS A 47 6.380 -5.153 0.477 1.00 0.00 C ATOM 774 C LYS A 47 6.204 -5.642 1.916 1.00 0.00 C ATOM 775 O LYS A 47 6.450 -6.810 2.219 1.00 0.00 O ATOM 776 CB LYS A 47 7.790 -4.578 0.250 1.00 0.00 C ATOM 777 CG LYS A 47 8.279 -3.613 1.333 1.00 0.00 C ATOM 778 CD LYS A 47 9.137 -4.302 2.405 1.00 0.00 C ATOM 779 CE LYS A 47 10.491 -4.782 1.871 1.00 0.00 C ATOM 780 NZ LYS A 47 10.373 -5.921 0.919 1.00 0.00 N ATOM 0 H LYS A 47 5.714 -3.230 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 47 6.264 -6.006 -0.191 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.496 -5.406 0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.805 -4.061 -0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.859 -2.816 0.867 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.418 -3.144 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.303 -3.609 3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.589 -5.154 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.994 -3.952 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.120 -5.081 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.286 -6.416 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.644 -6.582 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.107 -5.562 -0.020 1.00 0.00 H new ATOM 794 N ILE A 48 5.754 -4.746 2.798 1.00 0.00 N ATOM 795 CA ILE A 48 5.511 -5.103 4.195 1.00 0.00 C ATOM 796 C ILE A 48 4.286 -6.008 4.312 1.00 0.00 C ATOM 797 O ILE A 48 4.274 -6.945 5.112 1.00 0.00 O ATOM 798 CB ILE A 48 5.334 -3.851 5.098 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.673 -3.108 5.249 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.775 -4.233 6.471 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.591 -1.860 6.104 1.00 0.00 C ATOM 0 H ILE A 48 5.552 -3.773 2.570 1.00 0.00 H new ATOM 0 HA ILE A 48 6.392 -5.641 4.545 1.00 0.00 H new ATOM 0 HB ILE A 48 4.616 -3.187 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.407 -3.787 5.684 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.039 -2.835 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.662 -3.336 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.804 -4.713 6.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.460 -4.923 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.574 -1.393 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.883 -1.160 5.660 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.256 -2.127 7.106 1.00 0.00 H new ATOM 813 N VAL A 49 3.259 -5.724 3.509 1.00 0.00 N ATOM 814 CA VAL A 49 2.069 -6.573 3.461 1.00 0.00 C ATOM 815 C VAL A 49 2.471 -8.005 3.111 1.00 0.00 C ATOM 816 O VAL A 49 2.020 -8.967 3.744 1.00 0.00 O ATOM 817 CB VAL A 49 1.027 -6.059 2.430 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.128 -7.049 2.277 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.496 -4.686 2.837 1.00 0.00 C ATOM 0 H VAL A 49 3.228 -4.917 2.886 1.00 0.00 H new ATOM 0 HA VAL A 49 1.604 -6.543 4.446 1.00 0.00 H new ATOM 0 HB VAL A 49 1.529 -5.967 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.843 -6.664 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.258 -8.009 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.624 -7.181 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.232 -4.345 2.101 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.019 -4.756 3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.322 -3.976 2.886 1.00 0.00 H new ATOM 829 N VAL A 50 3.338 -8.129 2.107 1.00 0.00 N ATOM 830 CA VAL A 50 3.872 -9.427 1.703 1.00 0.00 C ATOM 831 C VAL A 50 4.642 -10.072 2.857 1.00 0.00 C ATOM 832 O VAL A 50 4.418 -11.237 3.192 1.00 0.00 O ATOM 833 CB VAL A 50 4.804 -9.301 0.469 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.371 -10.664 0.072 1.00 0.00 C ATOM 835 CG2 VAL A 50 4.064 -8.655 -0.701 1.00 0.00 C ATOM 0 H VAL A 50 3.686 -7.343 1.558 1.00 0.00 H new ATOM 0 HA VAL A 50 3.024 -10.057 1.433 1.00 0.00 H new ATOM 0 HB VAL A 50 5.641 -8.657 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.021 -10.549 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.944 -11.076 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.553 -11.341 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.735 -8.576 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.204 -9.268 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.725 -7.660 -0.412 1.00 0.00 H new ATOM 845 N GLU A 51 5.536 -9.298 3.472 1.00 0.00 N ATOM 846 CA GLU A 51 6.355 -9.783 4.585 1.00 0.00 C ATOM 847 C GLU A 51 5.501 -10.185 5.789 1.00 0.00 C ATOM 848 O GLU A 51 5.888 -11.061 6.563 1.00 0.00 O ATOM 849 CB GLU A 51 7.393 -8.721 5.001 1.00 0.00 C ATOM 850 CG GLU A 51 8.807 -8.986 4.482 1.00 0.00 C ATOM 851 CD GLU A 51 8.903 -9.009 2.963 1.00 0.00 C ATOM 852 OE1 GLU A 51 8.637 -10.071 2.358 1.00 0.00 O ATOM 853 OE2 GLU A 51 9.276 -7.976 2.370 1.00 0.00 O ATOM 0 H GLU A 51 5.713 -8.326 3.217 1.00 0.00 H new ATOM 0 HA GLU A 51 6.878 -10.674 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.063 -7.747 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.422 -8.665 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.477 -8.218 4.869 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.156 -9.941 4.875 1.00 0.00 H new ATOM 860 N GLU A 52 4.347 -9.544 5.951 1.00 0.00 N ATOM 861 CA GLU A 52 3.475 -9.828 7.089 1.00 0.00 C ATOM 862 C GLU A 52 2.690 -11.121 6.849 1.00 0.00 C ATOM 863 O GLU A 52 2.316 -11.820 7.793 1.00 0.00 O ATOM 864 CB GLU A 52 2.525 -8.652 7.341 1.00 0.00 C ATOM 865 CG GLU A 52 1.906 -8.649 8.736 1.00 0.00 C ATOM 866 CD GLU A 52 2.943 -8.502 9.840 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.505 -7.398 9.993 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.194 -9.484 10.568 1.00 0.00 O ATOM 0 H GLU A 52 3.995 -8.829 5.314 1.00 0.00 H new ATOM 0 HA GLU A 52 4.092 -9.963 7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.069 -7.719 7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.727 -8.676 6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.187 -7.833 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.352 -9.576 8.885 1.00 0.00 H new ATOM 875 N GLY A 53 2.437 -11.431 5.577 1.00 0.00 N ATOM 876 CA GLY A 53 1.861 -12.721 5.218 1.00 0.00 C ATOM 877 C GLY A 53 0.430 -12.647 4.710 1.00 0.00 C ATOM 878 O GLY A 53 -0.095 -13.645 4.210 1.00 0.00 O ATOM 0 H GLY A 53 2.621 -10.812 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.483 -13.183 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.891 -13.375 6.090 1.00 0.00 H new ATOM 882 N GLY A 54 -0.215 -11.489 4.839 1.00 0.00 N ATOM 883 CA GLY A 54 -1.573 -11.347 4.341 1.00 0.00 C ATOM 884 C GLY A 54 -2.209 -10.026 4.726 1.00 0.00 C ATOM 885 O GLY A 54 -2.176 -9.637 5.892 1.00 0.00 O ATOM 0 H GLY A 54 0.175 -10.654 5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.567 -11.439 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.183 -12.164 4.727 1.00 0.00 H new ATOM 889 N TYR A 55 -2.799 -9.351 3.741 1.00 0.00 N ATOM 890 CA TYR A 55 -3.451 -8.057 3.946 1.00 0.00 C ATOM 891 C TYR A 55 -4.567 -8.158 4.986 1.00 0.00 C ATOM 892 O TYR A 55 -4.602 -7.389 5.952 1.00 0.00 O ATOM 893 CB TYR A 55 -4.006 -7.541 2.606 1.00 0.00 C ATOM 894 CG TYR A 55 -4.992 -6.395 2.742 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.605 -5.173 3.273 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.319 -6.548 2.360 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.510 -4.135 3.415 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.223 -5.517 2.502 1.00 0.00 C ATOM 899 CZ TYR A 55 -6.819 -4.316 3.030 1.00 0.00 C ATOM 900 OH TYR A 55 -7.727 -3.293 3.178 1.00 0.00 O ATOM 0 H TYR A 55 -2.839 -9.685 2.778 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.711 -7.352 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.174 -7.217 1.981 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.494 -8.365 2.086 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.580 -5.029 3.581 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.647 -7.490 1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.191 -3.189 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.250 -5.654 2.198 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.511 -3.620 3.667 1.00 0.00 H new ATOM 910 N GLU A 56 -5.461 -9.122 4.789 1.00 0.00 N ATOM 911 CA GLU A 56 -6.622 -9.294 5.660 1.00 0.00 C ATOM 912 C GLU A 56 -6.171 -9.618 7.084 1.00 0.00 C ATOM 913 O GLU A 56 -6.810 -9.219 8.055 1.00 0.00 O ATOM 914 CB GLU A 56 -7.539 -10.396 5.093 1.00 0.00 C ATOM 915 CG GLU A 56 -8.942 -10.461 5.712 1.00 0.00 C ATOM 916 CD GLU A 56 -9.018 -11.257 7.009 1.00 0.00 C ATOM 917 OE1 GLU A 56 -8.283 -12.263 7.143 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.850 -10.916 7.880 1.00 0.00 O ATOM 0 H GLU A 56 -5.404 -9.800 4.029 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.190 -8.365 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.640 -10.245 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.052 -11.361 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.290 -9.446 5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.626 -10.903 4.987 1.00 0.00 H new ATOM 925 N ALA A 57 -5.040 -10.317 7.199 1.00 0.00 N ATOM 926 CA ALA A 57 -4.474 -10.653 8.501 1.00 0.00 C ATOM 927 C ALA A 57 -4.017 -9.386 9.225 1.00 0.00 C ATOM 928 O ALA A 57 -4.282 -9.204 10.419 1.00 0.00 O ATOM 929 CB ALA A 57 -3.314 -11.629 8.341 1.00 0.00 C ATOM 0 H ALA A 57 -4.500 -10.660 6.404 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.245 -11.134 9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.903 -11.869 9.321 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.670 -12.542 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.539 -11.175 7.724 1.00 0.00 H new ATOM 935 N ILE A 58 -3.341 -8.505 8.487 1.00 0.00 N ATOM 936 CA ILE A 58 -2.869 -7.238 9.042 1.00 0.00 C ATOM 937 C ILE A 58 -4.055 -6.393 9.483 1.00 0.00 C ATOM 938 O ILE A 58 -4.039 -5.786 10.553 1.00 0.00 O ATOM 939 CB ILE A 58 -2.047 -6.419 8.015 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.979 -7.290 7.347 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.399 -5.213 8.690 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.203 -6.578 6.259 1.00 0.00 C ATOM 0 H ILE A 58 -3.109 -8.646 7.504 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.226 -7.482 9.888 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.730 -6.064 7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.282 -7.641 8.108 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.457 -8.172 6.922 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.826 -4.649 7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.173 -4.574 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.735 -5.554 9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.534 -7.258 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.889 -6.251 5.477 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.305 -5.711 6.682 1.00 0.00 H new ATOM 954 N CYS A 59 -5.082 -6.368 8.642 1.00 0.00 N ATOM 955 CA CYS A 59 -6.285 -5.592 8.911 1.00 0.00 C ATOM 956 C CYS A 59 -7.016 -6.155 10.127 1.00 0.00 C ATOM 957 O CYS A 59 -7.490 -5.404 10.983 1.00 0.00 O ATOM 958 CB CYS A 59 -7.200 -5.601 7.677 1.00 0.00 C ATOM 959 SG CYS A 59 -8.601 -4.463 7.775 1.00 0.00 S ATOM 0 H CYS A 59 -5.104 -6.881 7.761 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.003 -4.562 9.128 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.606 -5.351 6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.579 -6.612 7.529 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.143 -4.339 6.600 1.00 0.00 H new ATOM 965 N LYS A 60 -7.064 -7.482 10.212 1.00 0.00 N ATOM 966 CA LYS A 60 -7.753 -8.172 11.297 1.00 0.00 C ATOM 967 C LYS A 60 -7.112 -7.846 12.645 1.00 0.00 C ATOM 968 O LYS A 60 -7.796 -7.451 13.586 1.00 0.00 O ATOM 969 CB LYS A 60 -7.723 -9.692 11.067 1.00 0.00 C ATOM 970 CG LYS A 60 -8.682 -10.487 11.965 1.00 0.00 C ATOM 971 CD LYS A 60 -9.952 -10.908 11.223 1.00 0.00 C ATOM 972 CE LYS A 60 -10.773 -9.718 10.729 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.828 -10.140 9.769 1.00 0.00 N ATOM 0 H LYS A 60 -6.628 -8.106 9.533 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.788 -7.829 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.968 -9.895 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.708 -10.052 11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.173 -11.374 12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.952 -9.882 12.830 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.680 -11.533 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.567 -11.519 11.884 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.234 -9.216 11.579 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.113 -8.994 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.625 -9.474 9.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.437 -10.147 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.160 -11.094 10.015 1.00 0.00 H new ATOM 987 N ASP A 61 -5.790 -8.008 12.724 1.00 0.00 N ATOM 988 CA ASP A 61 -5.054 -7.796 13.978 1.00 0.00 C ATOM 989 C ASP A 61 -4.613 -6.334 14.124 1.00 0.00 C ATOM 990 O ASP A 61 -3.997 -5.952 15.121 1.00 0.00 O ATOM 991 CB ASP A 61 -3.839 -8.738 14.035 1.00 0.00 C ATOM 992 CG ASP A 61 -3.075 -8.665 15.354 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.663 -8.977 16.411 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.875 -8.321 15.338 1.00 0.00 O ATOM 0 H ASP A 61 -5.204 -8.285 11.936 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.720 -8.023 14.811 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.175 -9.762 13.875 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.161 -8.494 13.217 1.00 0.00 H new ATOM 999 N ARG A 62 -4.943 -5.519 13.118 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.624 -4.088 13.121 1.00 0.00 C ATOM 1001 C ARG A 62 -3.111 -3.862 13.190 1.00 0.00 C ATOM 1002 O ARG A 62 -2.638 -2.936 13.854 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.326 -3.349 14.282 1.00 0.00 C ATOM 1004 CG ARG A 62 -6.852 -3.286 14.167 1.00 0.00 C ATOM 1005 CD ARG A 62 -7.528 -4.556 14.669 1.00 0.00 C ATOM 1006 NE ARG A 62 -7.393 -4.708 16.121 1.00 0.00 N ATOM 1007 CZ ARG A 62 -7.711 -5.816 16.792 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -8.110 -6.903 16.144 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -7.612 -5.840 18.115 1.00 0.00 N ATOM 0 H ARG A 62 -5.437 -5.831 12.282 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.997 -3.675 12.184 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.065 -3.841 15.219 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.937 -2.332 14.337 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.221 -2.433 14.736 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.128 -3.118 13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.585 -4.535 14.403 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.091 -5.421 14.171 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.033 -3.915 16.652 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.175 -6.895 15.126 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.352 -7.747 16.664 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.293 -5.012 18.618 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.855 -6.687 18.629 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.352 -4.687 12.470 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.890 -4.587 12.480 1.00 0.00 C ATOM 1025 C ARG A 63 -0.416 -3.381 11.670 1.00 0.00 C ATOM 1026 O ARG A 63 0.779 -3.103 11.605 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.243 -5.878 11.956 1.00 0.00 C ATOM 1028 CG ARG A 63 -0.524 -7.092 12.830 1.00 0.00 C ATOM 1029 CD ARG A 63 0.230 -8.333 12.361 1.00 0.00 C ATOM 1030 NE ARG A 63 -0.059 -9.489 13.212 1.00 0.00 N ATOM 1031 CZ ARG A 63 0.535 -10.680 13.098 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.498 -10.874 12.201 1.00 0.00 N ATOM 1033 NH2 ARG A 63 0.180 -11.677 13.898 1.00 0.00 N ATOM 0 H ARG A 63 -2.721 -5.429 11.875 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.576 -4.446 13.514 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.606 -6.074 10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.835 -5.733 11.884 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.245 -6.868 13.859 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.594 -7.298 12.828 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.045 -8.560 11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.302 -8.133 12.368 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.762 -9.377 13.942 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.789 -10.109 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.945 -11.787 12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.546 -11.534 14.600 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.633 -12.587 13.811 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.356 -2.654 11.066 1.00 0.00 N ATOM 1048 CA TRP A 64 -1.030 -1.418 10.353 1.00 0.00 C ATOM 1049 C TRP A 64 -0.324 -0.447 11.290 1.00 0.00 C ATOM 1050 O TRP A 64 0.407 0.442 10.851 1.00 0.00 O ATOM 1051 CB TRP A 64 -2.294 -0.775 9.771 1.00 0.00 C ATOM 1052 CG TRP A 64 -3.004 -1.669 8.803 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.268 -2.173 8.920 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.475 -2.189 7.577 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.560 -2.962 7.837 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.476 -2.989 7.002 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.252 -2.053 6.906 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.293 -3.651 5.796 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -1.075 -2.712 5.707 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.091 -3.502 5.162 1.00 0.00 C ATOM 0 H TRP A 64 -2.346 -2.898 11.056 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.362 -1.661 9.526 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.972 -0.516 10.584 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.026 0.155 9.270 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.939 -1.979 9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.442 -3.450 7.679 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.463 -1.443 7.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.075 -4.264 5.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.137 -2.616 5.181 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.923 -4.005 4.221 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.552 -0.638 12.584 1.00 0.00 N ATOM 1072 CA ALA A 65 0.139 0.117 13.613 1.00 0.00 C ATOM 1073 C ALA A 65 1.651 -0.080 13.500 1.00 0.00 C ATOM 1074 O ALA A 65 2.402 0.890 13.362 1.00 0.00 O ATOM 1075 CB ALA A 65 -0.356 -0.312 14.988 1.00 0.00 C ATOM 0 H ALA A 65 -1.220 -1.319 12.945 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.075 1.177 13.476 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.166 0.258 15.757 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.427 -0.126 15.063 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.161 -1.375 15.129 1.00 0.00 H new ATOM 1081 N ARG A 66 2.092 -1.343 13.526 1.00 0.00 N ATOM 1082 CA ARG A 66 3.520 -1.657 13.460 1.00 0.00 C ATOM 1083 C ARG A 66 4.098 -1.215 12.118 1.00 0.00 C ATOM 1084 O ARG A 66 5.272 -0.860 12.028 1.00 0.00 O ATOM 1085 CB ARG A 66 3.789 -3.159 13.689 1.00 0.00 C ATOM 1086 CG ARG A 66 3.415 -4.063 12.514 1.00 0.00 C ATOM 1087 CD ARG A 66 3.751 -5.528 12.781 1.00 0.00 C ATOM 1088 NE ARG A 66 5.159 -5.711 13.138 1.00 0.00 N ATOM 1089 CZ ARG A 66 5.930 -6.714 12.714 1.00 0.00 C ATOM 1090 NH1 ARG A 66 5.459 -7.621 11.861 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.187 -6.788 13.134 1.00 0.00 N ATOM 0 H ARG A 66 1.483 -2.159 13.592 1.00 0.00 H new ATOM 0 HA ARG A 66 4.014 -1.108 14.262 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.847 -3.295 13.911 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.234 -3.483 14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.348 -3.968 12.311 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.941 -3.729 11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.121 -5.903 13.587 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.522 -6.120 11.895 1.00 0.00 H new ATOM 0 HE ARG A 66 5.582 -5.020 13.757 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.499 -7.554 11.524 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.059 -8.383 11.544 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.553 -6.083 13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.787 -7.550 12.817 1.00 0.00 H new ATOM 1105 N VAL A 67 3.258 -1.232 11.081 1.00 0.00 N ATOM 1106 CA VAL A 67 3.667 -0.796 9.747 1.00 0.00 C ATOM 1107 C VAL A 67 3.960 0.704 9.748 1.00 0.00 C ATOM 1108 O VAL A 67 5.014 1.140 9.283 1.00 0.00 O ATOM 1109 CB VAL A 67 2.583 -1.113 8.684 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.037 -0.675 7.289 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.232 -2.601 8.698 1.00 0.00 C ATOM 0 H VAL A 67 2.289 -1.544 11.141 1.00 0.00 H new ATOM 0 HA VAL A 67 4.571 -1.346 9.485 1.00 0.00 H new ATOM 0 HB VAL A 67 1.686 -0.548 8.938 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.258 -0.909 6.563 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.224 0.399 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.953 -1.203 7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.470 -2.802 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.124 -3.187 8.477 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.852 -2.876 9.682 1.00 0.00 H new ATOM 1121 N ALA A 68 3.035 1.487 10.296 1.00 0.00 N ATOM 1122 CA ALA A 68 3.210 2.934 10.391 1.00 0.00 C ATOM 1123 C ALA A 68 4.474 3.261 11.184 1.00 0.00 C ATOM 1124 O ALA A 68 5.272 4.112 10.785 1.00 0.00 O ATOM 1125 CB ALA A 68 1.985 3.579 11.034 1.00 0.00 C ATOM 0 H ALA A 68 2.155 1.144 10.682 1.00 0.00 H new ATOM 0 HA ALA A 68 3.319 3.341 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.132 4.657 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.103 3.368 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.844 3.173 12.036 1.00 0.00 H new ATOM 1131 N GLN A 69 4.654 2.556 12.298 1.00 0.00 N ATOM 1132 CA GLN A 69 5.850 2.699 13.126 1.00 0.00 C ATOM 1133 C GLN A 69 7.096 2.314 12.323 1.00 0.00 C ATOM 1134 O GLN A 69 8.151 2.937 12.439 1.00 0.00 O ATOM 1135 CB GLN A 69 5.734 1.810 14.375 1.00 0.00 C ATOM 1136 CG GLN A 69 4.523 2.116 15.260 1.00 0.00 C ATOM 1137 CD GLN A 69 4.630 3.437 16.007 1.00 0.00 C ATOM 1138 OE1 GLN A 69 5.249 4.387 15.541 1.00 0.00 O ATOM 1139 NE2 GLN A 69 4.022 3.501 17.182 1.00 0.00 N ATOM 0 H GLN A 69 3.982 1.875 12.651 1.00 0.00 H new ATOM 0 HA GLN A 69 5.940 3.739 13.438 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.684 0.768 14.060 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.641 1.921 14.970 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.626 2.130 14.641 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.399 1.309 15.982 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.516 2.691 17.539 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.060 4.361 17.730 1.00 0.00 H new ATOM 1148 N ARG A 70 6.944 1.286 11.491 1.00 0.00 N ATOM 1149 CA ARG A 70 8.034 0.765 10.667 1.00 0.00 C ATOM 1150 C ARG A 70 8.440 1.804 9.616 1.00 0.00 C ATOM 1151 O ARG A 70 9.608 1.898 9.236 1.00 0.00 O ATOM 1152 CB ARG A 70 7.576 -0.552 10.005 1.00 0.00 C ATOM 1153 CG ARG A 70 8.692 -1.504 9.568 1.00 0.00 C ATOM 1154 CD ARG A 70 9.382 -1.072 8.279 1.00 0.00 C ATOM 1155 NE ARG A 70 10.065 -2.199 7.641 1.00 0.00 N ATOM 1156 CZ ARG A 70 10.965 -2.089 6.662 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.337 -0.894 6.213 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.495 -3.183 6.133 1.00 0.00 N ATOM 0 H ARG A 70 6.061 0.790 11.369 1.00 0.00 H new ATOM 0 HA ARG A 70 8.907 0.562 11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.927 -1.080 10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.972 -0.306 9.132 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.434 -1.573 10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.276 -2.502 9.433 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.646 -0.653 7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.102 -0.283 8.496 1.00 0.00 H new ATOM 0 HE ARG A 70 9.836 -3.137 7.969 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.934 -0.049 6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.026 -0.822 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.214 -4.102 6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.183 -3.106 5.384 1.00 0.00 H new ATOM 1172 N LEU A 71 7.463 2.592 9.167 1.00 0.00 N ATOM 1173 CA LEU A 71 7.702 3.664 8.195 1.00 0.00 C ATOM 1174 C LEU A 71 8.202 4.941 8.881 1.00 0.00 C ATOM 1175 O LEU A 71 8.248 6.005 8.257 1.00 0.00 O ATOM 1176 CB LEU A 71 6.431 3.953 7.375 1.00 0.00 C ATOM 1177 CG LEU A 71 6.227 3.073 6.125 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.170 1.594 6.489 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.965 3.490 5.371 1.00 0.00 C ATOM 0 H LEU A 71 6.490 2.508 9.463 1.00 0.00 H new ATOM 0 HA LEU A 71 8.482 3.323 7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.565 3.833 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.452 4.997 7.062 1.00 0.00 H new ATOM 0 HG LEU A 71 7.086 3.222 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.025 1.002 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.104 1.301 6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.340 1.420 7.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.840 2.857 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.099 3.381 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.055 4.530 5.058 1.00 0.00 H new ATOM 1191 N ASN A 72 8.557 4.827 10.168 1.00 0.00 N ATOM 1192 CA ASN A 72 9.196 5.918 10.923 1.00 0.00 C ATOM 1193 C ASN A 72 8.178 6.980 11.367 1.00 0.00 C ATOM 1194 O ASN A 72 8.549 8.007 11.943 1.00 0.00 O ATOM 1195 CB ASN A 72 10.374 6.532 10.108 1.00 0.00 C ATOM 1196 CG ASN A 72 10.266 8.037 9.862 1.00 0.00 C ATOM 1197 OD1 ASN A 72 10.807 8.848 10.622 1.00 0.00 O ATOM 1198 ND2 ASN A 72 9.564 8.420 8.805 1.00 0.00 N ATOM 0 H ASN A 72 8.411 3.979 10.716 1.00 0.00 H new ATOM 0 HA ASN A 72 9.613 5.496 11.838 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.306 6.330 10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.435 6.024 9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.456 9.413 8.597 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.132 7.722 8.200 1.00 0.00 H new ATOM 1205 N TYR A 73 6.890 6.697 11.186 1.00 0.00 N ATOM 1206 CA TYR A 73 5.853 7.658 11.559 1.00 0.00 C ATOM 1207 C TYR A 73 5.759 7.756 13.086 1.00 0.00 C ATOM 1208 O TYR A 73 5.942 6.759 13.787 1.00 0.00 O ATOM 1209 CB TYR A 73 4.488 7.262 10.967 1.00 0.00 C ATOM 1210 CG TYR A 73 4.426 7.308 9.446 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.891 8.413 8.738 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.888 6.249 8.721 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.825 8.457 7.356 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.815 6.288 7.342 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.285 7.392 6.663 1.00 0.00 C ATOM 1216 OH TYR A 73 4.208 7.431 5.286 1.00 0.00 O ATOM 0 H TYR A 73 6.542 5.824 10.790 1.00 0.00 H new ATOM 0 HA TYR A 73 6.126 8.631 11.151 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.240 6.254 11.298 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.724 7.927 11.370 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.310 9.250 9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.520 5.380 9.246 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.194 9.320 6.822 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.391 5.457 6.798 1.00 0.00 H new ATOM 0 HH TYR A 73 4.028 6.531 4.943 1.00 0.00 H new ATOM 1226 N PRO A 74 5.505 8.973 13.612 1.00 0.00 N ATOM 1227 CA PRO A 74 5.475 9.236 15.061 1.00 0.00 C ATOM 1228 C PRO A 74 4.472 8.353 15.813 1.00 0.00 C ATOM 1229 O PRO A 74 3.419 7.996 15.274 1.00 0.00 O ATOM 1230 CB PRO A 74 5.060 10.713 15.153 1.00 0.00 C ATOM 1231 CG PRO A 74 5.436 11.296 13.834 1.00 0.00 C ATOM 1232 CD PRO A 74 5.232 10.196 12.832 1.00 0.00 C ATOM 0 HA PRO A 74 6.438 9.016 15.523 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.991 10.813 15.339 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.575 11.218 15.970 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.817 12.161 13.597 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.472 11.636 13.837 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.218 10.200 12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.911 10.293 11.984 1.00 0.00 H new ATOM 1240 N PRO A 75 4.792 7.996 17.078 1.00 0.00 N ATOM 1241 CA PRO A 75 3.912 7.182 17.929 1.00 0.00 C ATOM 1242 C PRO A 75 2.495 7.752 18.036 1.00 0.00 C ATOM 1243 O PRO A 75 2.274 8.960 17.886 1.00 0.00 O ATOM 1244 CB PRO A 75 4.615 7.204 19.293 1.00 0.00 C ATOM 1245 CG PRO A 75 6.051 7.436 18.969 1.00 0.00 C ATOM 1246 CD PRO A 75 6.052 8.344 17.768 1.00 0.00 C ATOM 0 HA PRO A 75 3.772 6.180 17.524 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.219 7.994 19.931 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.475 6.264 19.827 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.573 7.895 19.808 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.561 6.497 18.752 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.075 9.394 18.058 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.920 8.170 17.132 1.00 0.00 H new ATOM 1254 N GLY A 76 1.546 6.871 18.321 1.00 0.00 N ATOM 1255 CA GLY A 76 0.140 7.233 18.326 1.00 0.00 C ATOM 1256 C GLY A 76 -0.631 6.387 17.336 1.00 0.00 C ATOM 1257 O GLY A 76 -1.843 6.203 17.468 1.00 0.00 O ATOM 0 H GLY A 76 1.729 5.895 18.553 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.272 7.099 19.326 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.030 8.288 18.075 1.00 0.00 H new ATOM 1261 N LYS A 77 0.092 5.882 16.329 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.455 4.939 15.349 1.00 0.00 C ATOM 1263 C LYS A 77 -1.589 5.576 14.543 1.00 0.00 C ATOM 1264 O LYS A 77 -2.330 4.885 13.840 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.953 3.670 16.062 1.00 0.00 C ATOM 1266 CG LYS A 77 0.101 3.020 16.957 1.00 0.00 C ATOM 1267 CD LYS A 77 -0.465 1.838 17.741 1.00 0.00 C ATOM 1268 CE LYS A 77 0.584 1.206 18.648 1.00 0.00 C ATOM 1269 NZ LYS A 77 0.083 -0.037 19.294 1.00 0.00 N ATOM 0 H LYS A 77 1.072 6.116 16.172 1.00 0.00 H new ATOM 0 HA LYS A 77 0.340 4.669 14.654 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.826 3.921 16.665 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.279 2.947 15.314 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.938 2.682 16.345 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.494 3.762 17.652 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.311 2.172 18.342 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.844 1.089 17.046 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.477 0.978 18.066 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.878 1.921 19.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.826 -0.436 19.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.754 0.184 19.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.174 -0.730 18.562 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.688 6.901 14.620 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.796 7.637 14.013 1.00 0.00 C ATOM 1285 C ASN A 78 -2.747 7.534 12.490 1.00 0.00 C ATOM 1286 O ASN A 78 -3.781 7.454 11.825 1.00 0.00 O ATOM 1287 CB ASN A 78 -2.752 9.111 14.443 1.00 0.00 C ATOM 1288 CG ASN A 78 -4.023 9.862 14.087 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.157 10.400 12.987 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -4.960 9.914 15.023 1.00 0.00 N ATOM 0 H ASN A 78 -1.009 7.491 15.101 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.730 7.193 14.358 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.591 9.167 15.520 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.901 9.599 13.968 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.831 10.413 14.845 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.810 9.455 15.921 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.531 7.513 11.948 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.324 7.451 10.500 1.00 0.00 C ATOM 1299 C ILE A 79 -1.764 6.088 9.949 1.00 0.00 C ATOM 1300 O ILE A 79 -2.054 5.950 8.759 1.00 0.00 O ATOM 1301 CB ILE A 79 0.166 7.719 10.113 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.618 9.132 10.546 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.379 7.550 8.607 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.850 9.295 12.034 1.00 0.00 C ATOM 0 H ILE A 79 -0.669 7.538 12.492 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.936 8.236 10.055 1.00 0.00 H new ATOM 0 HB ILE A 79 0.772 6.984 10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.539 9.381 10.019 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.136 9.853 10.229 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.424 7.742 8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.119 6.533 8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.254 8.255 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.164 10.318 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.074 9.082 12.572 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.627 8.603 12.359 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.838 5.092 10.833 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.187 3.739 10.424 1.00 0.00 C ATOM 1318 C GLY A 80 -3.517 3.666 9.689 1.00 0.00 C ATOM 1319 O GLY A 80 -3.627 3.007 8.652 1.00 0.00 O ATOM 0 H GLY A 80 -1.661 5.200 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.400 3.345 9.781 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.229 3.098 11.305 1.00 0.00 H new ATOM 1323 N SER A 81 -4.524 4.351 10.223 1.00 0.00 N ATOM 1324 CA SER A 81 -5.853 4.372 9.619 1.00 0.00 C ATOM 1325 C SER A 81 -5.811 5.041 8.243 1.00 0.00 C ATOM 1326 O SER A 81 -6.472 4.593 7.305 1.00 0.00 O ATOM 1327 CB SER A 81 -6.837 5.102 10.543 1.00 0.00 C ATOM 1328 OG SER A 81 -6.380 6.412 10.844 1.00 0.00 O ATOM 0 H SER A 81 -4.444 4.902 11.078 1.00 0.00 H new ATOM 0 HA SER A 81 -6.192 3.345 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.816 5.156 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.962 4.536 11.466 1.00 0.00 H new ATOM 0 HG SER A 81 -7.025 6.856 11.433 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.016 6.108 8.141 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.831 6.841 6.887 1.00 0.00 C ATOM 1336 C LEU A 82 -4.210 5.912 5.840 1.00 0.00 C ATOM 1337 O LEU A 82 -4.658 5.845 4.684 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.940 8.079 7.158 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.768 9.101 6.009 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.717 8.647 4.994 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.106 9.371 5.324 1.00 0.00 C ATOM 0 H LEU A 82 -4.483 6.488 8.924 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.789 7.186 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.350 8.607 8.019 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.950 7.725 7.444 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.410 10.032 6.449 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.628 9.393 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.755 8.530 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.018 7.694 4.560 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.964 10.092 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.498 8.441 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.812 9.773 6.051 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.193 5.179 6.276 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.507 4.200 5.440 1.00 0.00 C ATOM 1355 C LEU A 83 -3.498 3.159 4.918 1.00 0.00 C ATOM 1356 O LEU A 83 -3.650 2.973 3.702 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.399 3.522 6.267 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.598 2.424 5.549 1.00 0.00 C ATOM 1359 CD1 LEU A 83 0.170 2.995 4.362 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.351 1.732 6.527 1.00 0.00 C ATOM 0 H LEU A 83 -2.819 5.247 7.223 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.062 4.703 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.703 4.290 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.852 3.089 7.159 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.301 1.684 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.728 2.197 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.531 3.436 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.863 3.761 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.911 0.957 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.044 2.464 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.225 1.281 7.335 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.193 2.507 5.847 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.161 1.471 5.501 1.00 0.00 C ATOM 1374 C ARG A 84 -6.259 2.053 4.612 1.00 0.00 C ATOM 1375 O ARG A 84 -6.730 1.400 3.686 1.00 0.00 O ATOM 1376 CB ARG A 84 -5.788 0.865 6.764 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.447 -0.496 6.530 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.523 -0.796 7.567 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.745 -0.040 7.292 1.00 0.00 N ATOM 1380 CZ ARG A 84 -9.620 0.361 8.211 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -9.394 0.142 9.500 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.716 0.998 7.827 1.00 0.00 N ATOM 0 H ARG A 84 -4.103 2.679 6.848 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.636 0.684 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.017 0.759 7.527 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.533 1.557 7.157 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.888 -0.519 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.687 -1.277 6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.744 -1.863 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.153 -0.547 8.562 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.942 0.198 6.320 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.543 -0.338 9.794 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.071 0.453 10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.882 1.176 6.836 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.394 1.310 8.522 1.00 0.00 H new ATOM 1396 N SER A 85 -6.644 3.297 4.900 1.00 0.00 N ATOM 1397 CA SER A 85 -7.684 3.987 4.144 1.00 0.00 C ATOM 1398 C SER A 85 -7.317 4.040 2.666 1.00 0.00 C ATOM 1399 O SER A 85 -8.102 3.638 1.801 1.00 0.00 O ATOM 1400 CB SER A 85 -7.886 5.409 4.691 1.00 0.00 C ATOM 1401 OG SER A 85 -8.876 6.112 3.961 1.00 0.00 O ATOM 0 H SER A 85 -6.245 3.850 5.659 1.00 0.00 H new ATOM 0 HA SER A 85 -8.617 3.434 4.253 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.175 5.358 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.943 5.954 4.646 1.00 0.00 H new ATOM 0 HG SER A 85 -8.981 7.012 4.335 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.109 4.519 2.377 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.650 4.614 0.997 1.00 0.00 C ATOM 1409 C HIS A 86 -5.429 3.228 0.399 1.00 0.00 C ATOM 1410 O HIS A 86 -5.524 3.055 -0.813 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.384 5.472 0.887 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.649 6.941 1.075 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.118 7.759 0.067 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -4.534 7.731 2.167 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.275 8.983 0.534 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -4.929 8.996 1.805 1.00 0.00 N ATOM 0 H HIS A 86 -5.438 4.844 3.073 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.432 5.108 0.421 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.662 5.141 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.928 5.313 -0.090 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -5.313 7.463 -0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.194 7.423 3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.628 9.833 -0.031 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.147 2.236 1.242 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.053 0.857 0.763 1.00 0.00 C ATOM 1427 C TYR A 87 -6.418 0.414 0.234 1.00 0.00 C ATOM 1428 O TYR A 87 -6.554 0.069 -0.939 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.573 -0.102 1.869 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.065 -1.445 1.347 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -4.897 -2.317 0.643 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.742 -1.833 1.546 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.429 -3.525 0.163 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.269 -3.039 1.066 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.115 -3.880 0.376 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.647 -5.081 -0.105 1.00 0.00 O ATOM 0 H TYR A 87 -4.982 2.356 2.241 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.314 0.822 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.777 0.381 2.435 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.394 -0.280 2.563 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.927 -2.042 0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.073 -1.179 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.090 -4.188 -0.376 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.240 -3.322 1.231 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.700 -5.180 0.128 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.429 0.477 1.099 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.788 0.034 0.771 1.00 0.00 C ATOM 1448 C GLU A 88 -9.298 0.681 -0.519 1.00 0.00 C ATOM 1449 O GLU A 88 -10.058 0.074 -1.276 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.748 0.392 1.917 1.00 0.00 C ATOM 1451 CG GLU A 88 -9.384 -0.227 3.261 1.00 0.00 C ATOM 1452 CD GLU A 88 -10.288 0.259 4.386 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -11.358 -0.345 4.599 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -9.936 1.256 5.061 1.00 0.00 O ATOM 0 H GLU A 88 -7.331 0.837 2.049 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.753 -1.046 0.628 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.776 1.476 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.754 0.073 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.450 -1.313 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.348 0.014 3.501 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.877 1.914 -0.757 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.423 2.725 -1.843 1.00 0.00 C ATOM 1463 C ARG A 89 -8.519 2.734 -3.078 1.00 0.00 C ATOM 1464 O ARG A 89 -8.988 2.983 -4.190 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.644 4.151 -1.330 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.652 4.222 -0.182 1.00 0.00 C ATOM 1467 CD ARG A 89 -10.599 5.556 0.550 1.00 0.00 C ATOM 1468 NE ARG A 89 -10.817 6.693 -0.345 1.00 0.00 N ATOM 1469 CZ ARG A 89 -10.754 7.966 0.046 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -10.509 8.259 1.318 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -10.941 8.940 -0.835 1.00 0.00 N ATOM 0 H ARG A 89 -8.154 2.381 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.369 2.284 -2.156 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.692 4.563 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.992 4.777 -2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.657 4.064 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.454 3.415 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.354 5.566 1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.630 5.662 1.037 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.029 6.501 -1.324 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.369 7.510 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.461 9.233 1.617 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.133 8.715 -1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.893 9.914 -0.536 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.228 2.466 -2.890 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.262 2.534 -3.992 1.00 0.00 C ATOM 1487 C ILE A 90 -5.558 1.193 -4.207 1.00 0.00 C ATOM 1488 O ILE A 90 -5.507 0.678 -5.325 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.183 3.626 -3.733 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.835 5.002 -3.484 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.188 3.701 -4.894 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.654 5.525 -4.647 1.00 0.00 C ATOM 0 H ILE A 90 -6.825 2.201 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.831 2.789 -4.886 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.635 3.344 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.476 4.933 -2.605 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.053 5.725 -3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.445 4.472 -4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.690 2.738 -5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.720 3.947 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.076 6.496 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.015 5.630 -5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.461 4.826 -4.867 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.026 0.627 -3.129 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.146 -0.541 -3.224 1.00 0.00 C ATOM 1506 C VAL A 91 -4.924 -1.861 -3.143 1.00 0.00 C ATOM 1507 O VAL A 91 -4.385 -2.924 -3.453 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.064 -0.506 -2.110 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.985 -1.564 -2.347 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.447 0.888 -1.998 1.00 0.00 C ATOM 0 H VAL A 91 -5.187 0.956 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.665 -0.493 -4.201 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.552 -0.740 -1.164 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.244 -1.512 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.441 -2.554 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.500 -1.381 -3.306 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.692 0.890 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.984 1.158 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.225 1.612 -1.755 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.192 -1.797 -2.742 1.00 0.00 N ATOM 1521 CA TYR A 92 -7.002 -3.009 -2.588 1.00 0.00 C ATOM 1522 C TYR A 92 -7.103 -3.770 -3.926 1.00 0.00 C ATOM 1523 O TYR A 92 -6.928 -4.987 -3.954 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.405 -2.683 -2.031 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.974 -3.748 -1.094 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.495 -5.056 -1.103 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.982 -3.433 -0.184 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -9.003 -6.012 -0.241 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.489 -4.382 0.682 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.999 -5.667 0.651 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.502 -6.610 1.523 1.00 0.00 O ATOM 0 H TYR A 92 -6.679 -0.929 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.503 -3.653 -1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.359 -1.734 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.092 -2.547 -2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.713 -5.329 -1.796 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.374 -2.427 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.623 -7.022 -0.266 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.268 -4.116 1.381 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.149 -7.177 1.054 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.388 -3.076 -5.057 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.357 -3.707 -6.391 1.00 0.00 C ATOM 1543 C PRO A 93 -5.965 -4.244 -6.743 1.00 0.00 C ATOM 1544 O PRO A 93 -5.827 -5.183 -7.535 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.764 -2.570 -7.346 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.481 -1.588 -6.483 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.805 -1.659 -5.143 1.00 0.00 C ATOM 0 HA PRO A 93 -8.018 -4.572 -6.448 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.892 -2.119 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.406 -2.936 -8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.421 -0.583 -6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.539 -1.837 -6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.952 -0.983 -5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.483 -1.388 -4.334 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.932 -3.648 -6.144 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.555 -4.072 -6.386 1.00 0.00 C ATOM 1557 C TYR A 94 -3.286 -5.441 -5.764 1.00 0.00 C ATOM 1558 O TYR A 94 -2.365 -6.137 -6.186 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.550 -3.027 -5.877 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.191 -1.983 -6.919 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -1.131 -2.199 -7.794 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.905 -0.794 -7.038 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.796 -1.267 -8.752 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.571 0.145 -7.995 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.516 -0.096 -8.848 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.184 0.831 -9.810 1.00 0.00 O ATOM 0 H TYR A 94 -5.025 -2.872 -5.489 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.421 -4.160 -7.464 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.966 -2.529 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.641 -3.534 -5.553 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.561 -3.113 -7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.733 -0.602 -6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.028 -1.454 -9.425 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.134 1.063 -8.074 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.789 1.619 -9.382 1.00 0.00 H new ATOM 1576 N GLU A 95 -4.080 -5.818 -4.762 1.00 0.00 N ATOM 1577 CA GLU A 95 -4.072 -7.195 -4.272 1.00 0.00 C ATOM 1578 C GLU A 95 -4.317 -8.122 -5.460 1.00 0.00 C ATOM 1579 O GLU A 95 -3.454 -8.915 -5.834 1.00 0.00 O ATOM 1580 CB GLU A 95 -5.149 -7.395 -3.182 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.495 -8.861 -2.863 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.342 -9.680 -2.286 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.422 -9.096 -1.682 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -4.370 -10.931 -2.416 1.00 0.00 O ATOM 0 H GLU A 95 -4.729 -5.197 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.109 -7.424 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.810 -6.911 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.059 -6.884 -3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.324 -8.878 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.844 -9.344 -3.776 1.00 0.00 H new ATOM 1591 N MET A 96 -5.477 -7.953 -6.092 1.00 0.00 N ATOM 1592 CA MET A 96 -5.836 -8.727 -7.277 1.00 0.00 C ATOM 1593 C MET A 96 -4.704 -8.697 -8.304 1.00 0.00 C ATOM 1594 O MET A 96 -4.208 -9.740 -8.726 1.00 0.00 O ATOM 1595 CB MET A 96 -7.123 -8.175 -7.912 1.00 0.00 C ATOM 1596 CG MET A 96 -8.349 -8.263 -7.015 1.00 0.00 C ATOM 1597 SD MET A 96 -9.805 -7.502 -7.762 1.00 0.00 S ATOM 1598 CE MET A 96 -11.042 -7.809 -6.502 1.00 0.00 C ATOM 0 H MET A 96 -6.188 -7.282 -5.800 1.00 0.00 H new ATOM 0 HA MET A 96 -6.005 -9.758 -6.967 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.961 -7.132 -8.186 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.322 -8.720 -8.835 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.561 -9.310 -6.796 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.135 -7.776 -6.064 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.953 -8.183 -6.970 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.666 -8.549 -5.796 1.00 0.00 H new ATOM 0 HE3 MET A 96 -11.260 -6.881 -5.973 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.285 -7.490 -8.677 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.271 -7.310 -9.714 1.00 0.00 C ATOM 1610 C TYR A 97 -1.912 -7.889 -9.300 1.00 0.00 C ATOM 1611 O TYR A 97 -1.469 -8.912 -9.834 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.127 -5.820 -10.057 1.00 0.00 C ATOM 1613 CG TYR A 97 -2.051 -5.526 -11.089 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.121 -6.071 -12.367 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.962 -4.714 -10.782 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.142 -5.815 -13.307 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.021 -4.456 -11.718 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.075 -5.008 -12.978 1.00 0.00 C ATOM 1619 OH TYR A 97 0.906 -4.759 -13.912 1.00 0.00 O ATOM 0 H TYR A 97 -4.633 -6.619 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.604 -7.858 -10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.083 -5.449 -10.427 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.902 -5.267 -9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.955 -6.705 -12.629 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.885 -4.279 -9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.213 -6.245 -14.295 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.860 -3.825 -11.464 1.00 0.00 H new ATOM 0 HH TYR A 97 1.587 -4.171 -13.523 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.260 -7.237 -8.340 1.00 0.00 N ATOM 1630 CA GLN A 98 0.107 -7.588 -7.960 1.00 0.00 C ATOM 1631 C GLN A 98 0.159 -8.944 -7.265 1.00 0.00 C ATOM 1632 O GLN A 98 0.970 -9.806 -7.632 1.00 0.00 O ATOM 1633 CB GLN A 98 0.720 -6.495 -7.073 1.00 0.00 C ATOM 1634 CG GLN A 98 2.154 -6.787 -6.638 1.00 0.00 C ATOM 1635 CD GLN A 98 2.848 -5.574 -6.039 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.777 -5.327 -4.836 1.00 0.00 O ATOM 1637 NE2 GLN A 98 3.531 -4.808 -6.879 1.00 0.00 N ATOM 0 H GLN A 98 -1.657 -6.461 -7.810 1.00 0.00 H new ATOM 0 HA GLN A 98 0.699 -7.662 -8.872 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.700 -5.548 -7.613 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.099 -6.370 -6.186 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.149 -7.595 -5.906 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.725 -7.139 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.567 -5.045 -7.871 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.020 -3.982 -6.534 1.00 0.00 H new ATOM 1646 N SER A 99 -0.713 -9.160 -6.283 1.00 0.00 N ATOM 1647 CA SER A 99 -0.726 -10.434 -5.591 1.00 0.00 C ATOM 1648 C SER A 99 -1.226 -11.511 -6.543 1.00 0.00 C ATOM 1649 O SER A 99 -0.752 -12.633 -6.505 1.00 0.00 O ATOM 1650 CB SER A 99 -1.571 -10.374 -4.315 1.00 0.00 C ATOM 1651 OG SER A 99 -1.124 -9.331 -3.465 1.00 0.00 O ATOM 0 H SER A 99 -1.403 -8.483 -5.958 1.00 0.00 H new ATOM 0 HA SER A 99 0.289 -10.679 -5.277 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.618 -10.215 -4.574 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.513 -11.327 -3.790 1.00 0.00 H new ATOM 0 HG SER A 99 -1.807 -9.147 -2.786 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.151 -11.159 -7.440 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.573 -12.103 -8.460 1.00 0.00 C ATOM 1659 C GLY A 100 -1.417 -12.516 -9.347 1.00 0.00 C ATOM 1660 O GLY A 100 -1.356 -13.657 -9.810 1.00 0.00 O ATOM 0 H GLY A 100 -2.609 -10.248 -7.476 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.002 -12.985 -7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.358 -11.655 -9.069 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.491 -11.587 -9.574 1.00 0.00 N ATOM 1665 CA ALA A 101 0.712 -11.870 -10.350 1.00 0.00 C ATOM 1666 C ALA A 101 1.620 -12.857 -9.615 1.00 0.00 C ATOM 1667 O ALA A 101 2.104 -13.826 -10.204 1.00 0.00 O ATOM 1668 CB ALA A 101 1.464 -10.580 -10.661 1.00 0.00 C ATOM 0 H ALA A 101 -0.552 -10.629 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 101 0.407 -12.329 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.358 -10.811 -11.240 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.821 -9.914 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.751 -10.092 -9.729 1.00 0.00 H new ATOM 1674 N ASN A 102 1.843 -12.616 -8.324 1.00 0.00 N ATOM 1675 CA ASN A 102 2.701 -13.499 -7.521 1.00 0.00 C ATOM 1676 C ASN A 102 1.914 -14.731 -7.048 1.00 0.00 C ATOM 1677 O ASN A 102 2.210 -15.859 -7.450 1.00 0.00 O ATOM 1678 CB ASN A 102 3.278 -12.720 -6.325 1.00 0.00 C ATOM 1679 CG ASN A 102 4.234 -13.537 -5.464 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.336 -13.316 -4.257 1.00 0.00 O ATOM 1681 ND2 ASN A 102 4.960 -14.467 -6.068 1.00 0.00 N ATOM 0 H ASN A 102 1.448 -11.827 -7.812 1.00 0.00 H new ATOM 0 HA ASN A 102 3.528 -13.849 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.801 -11.838 -6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.456 -12.366 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 102 5.626 -15.023 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 102 4.853 -14.627 -7.070 1.00 0.00 H new ATOM 1688 N LEU A 103 0.890 -14.495 -6.230 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.094 -15.514 -5.841 1.00 0.00 C ATOM 1690 C LEU A 103 -1.160 -14.854 -4.960 1.00 0.00 C ATOM 1691 O LEU A 103 -0.856 -14.314 -3.894 1.00 0.00 O ATOM 1692 CB LEU A 103 0.547 -16.728 -5.123 1.00 0.00 C ATOM 1693 CG LEU A 103 1.022 -16.518 -3.669 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.411 -17.850 -3.037 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.192 -15.539 -3.598 1.00 0.00 C ATOM 0 H LEU A 103 0.715 -13.581 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.549 -15.913 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.176 -17.544 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.402 -17.057 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 103 0.191 -16.089 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.743 -17.683 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.549 -18.517 -3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.219 -18.303 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.500 -15.415 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.027 -15.927 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.885 -14.575 -4.003 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.408 -14.878 -5.416 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.479 -14.153 -4.744 1.00 0.00 C ATOM 1709 C VAL A 104 -4.121 -15.023 -3.671 1.00 0.00 C ATOM 1710 O VAL A 104 -4.721 -16.060 -3.957 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.547 -13.643 -5.751 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.165 -14.792 -6.550 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.622 -12.828 -5.034 1.00 0.00 C ATOM 0 H VAL A 104 -2.702 -15.391 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.037 -13.279 -4.266 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.044 -12.990 -6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.907 -14.395 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.384 -15.307 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.645 -15.493 -5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.359 -12.481 -5.758 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.113 -13.451 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.162 -11.969 -4.545 1.00 0.00 H new ATOM 1723 N CYS A 105 -3.958 -14.601 -2.426 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.438 -15.367 -1.281 1.00 0.00 C ATOM 1725 C CYS A 105 -5.536 -14.619 -0.525 1.00 0.00 C ATOM 1726 O CYS A 105 -6.392 -15.240 0.104 1.00 0.00 O ATOM 1727 CB CYS A 105 -3.268 -15.682 -0.344 1.00 0.00 C ATOM 1728 SG CYS A 105 -1.899 -16.543 -1.155 1.00 0.00 S ATOM 0 H CYS A 105 -3.494 -13.727 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.869 -16.297 -1.651 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.897 -14.751 0.085 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.630 -16.292 0.483 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.954 -16.767 -0.291 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.530 -13.286 -0.603 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.492 -12.475 0.153 1.00 0.00 C ATOM 1736 C ASN A 106 -7.809 -12.339 -0.610 1.00 0.00 C ATOM 1737 O ASN A 106 -8.721 -11.643 -0.167 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.919 -11.082 0.472 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.606 -11.145 1.236 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.589 -11.264 2.462 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.494 -11.033 0.522 1.00 0.00 N ATOM 0 H ASN A 106 -4.878 -12.749 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.685 -12.990 1.094 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.767 -10.535 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.647 -10.520 1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.586 -11.044 0.987 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.547 -10.936 -0.492 1.00 0.00 H new ATOM 1748 N THR A 107 -7.908 -13.029 -1.745 1.00 0.00 N ATOM 1749 CA THR A 107 -9.105 -12.976 -2.582 1.00 0.00 C ATOM 1750 C THR A 107 -10.338 -13.497 -1.833 1.00 0.00 C ATOM 1751 O THR A 107 -11.427 -12.937 -1.958 1.00 0.00 O ATOM 1752 CB THR A 107 -8.916 -13.772 -3.901 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.097 -13.681 -4.709 1.00 0.00 O ATOM 1754 CG2 THR A 107 -8.587 -15.240 -3.630 1.00 0.00 C ATOM 0 H THR A 107 -7.170 -13.633 -2.107 1.00 0.00 H new ATOM 0 HA THR A 107 -9.267 -11.927 -2.831 1.00 0.00 H new ATOM 0 HB THR A 107 -8.075 -13.330 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.965 -14.186 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 107 -8.462 -15.766 -4.577 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.664 -15.306 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.400 -15.697 -3.066 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.166 -14.563 -1.052 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.275 -15.126 -0.281 1.00 0.00 C ATOM 1764 C ARG A 108 -11.450 -14.385 1.053 1.00 0.00 C ATOM 1765 O ARG A 108 -12.567 -13.999 1.397 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.084 -16.632 -0.046 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.247 -17.272 0.704 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.021 -18.754 0.965 1.00 0.00 C ATOM 1769 NE ARG A 108 -13.137 -19.335 1.710 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.041 -20.388 2.518 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -11.880 -21.014 2.680 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -14.119 -20.815 3.162 1.00 0.00 N ATOM 0 H ARG A 108 -9.278 -15.051 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.185 -14.992 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.961 -17.131 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.164 -16.792 0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.392 -16.756 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.163 -17.143 0.128 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.900 -19.279 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.096 -18.891 1.525 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.054 -18.902 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.051 -20.688 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.818 -21.820 3.302 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.011 -20.337 3.036 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.056 -21.621 3.784 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.359 -14.182 1.840 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.411 -13.361 3.064 1.00 0.00 C ATOM 1788 C PRO A 109 -11.077 -12.000 2.828 1.00 0.00 C ATOM 1789 O PRO A 109 -11.619 -11.396 3.756 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.933 -13.192 3.432 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.285 -14.428 2.916 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.013 -14.764 1.640 1.00 0.00 C ATOM 0 HA PRO A 109 -11.008 -13.826 3.849 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.508 -12.299 2.974 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.800 -13.092 4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.223 -14.266 2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.362 -15.242 3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.516 -14.334 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.062 -15.841 1.479 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.032 -11.536 1.576 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.727 -10.315 1.152 1.00 0.00 C ATOM 1802 C PHE A 110 -13.172 -10.340 1.666 1.00 0.00 C ATOM 1803 O PHE A 110 -13.689 -9.344 2.171 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.708 -10.234 -0.388 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.947 -8.861 -0.986 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.645 -7.872 -0.303 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -11.466 -8.571 -2.258 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.854 -6.629 -0.877 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -11.673 -7.333 -2.830 1.00 0.00 C ATOM 1810 CZ PHE A 110 -12.366 -6.362 -2.139 1.00 0.00 C ATOM 0 H PHE A 110 -10.513 -11.995 0.827 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.225 -9.440 1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.742 -10.598 -0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.466 -10.914 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.029 -8.075 0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -10.922 -9.326 -2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.399 -5.869 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -11.292 -7.124 -3.819 1.00 0.00 H new ATOM 0 HZ PHE A 110 -12.527 -5.392 -2.586 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.802 -11.503 1.543 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.160 -11.720 2.038 1.00 0.00 C ATOM 1822 C ASP A 111 -15.230 -11.498 3.550 1.00 0.00 C ATOM 1823 O ASP A 111 -16.137 -10.830 4.057 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.610 -13.150 1.690 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.940 -13.538 2.320 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.937 -14.046 3.462 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -17.993 -13.360 1.673 1.00 0.00 O ATOM 0 H ASP A 111 -13.388 -12.322 1.098 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.827 -11.003 1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.689 -13.244 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -14.844 -13.853 2.016 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.241 -12.038 4.254 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.215 -12.013 5.719 1.00 0.00 C ATOM 1834 C ASN A 112 -13.784 -10.649 6.253 1.00 0.00 C ATOM 1835 O ASN A 112 -13.934 -10.373 7.444 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.280 -13.109 6.255 1.00 0.00 C ATOM 1837 CG ASN A 112 -13.847 -14.519 6.105 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -13.543 -15.404 6.904 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -14.675 -14.745 5.094 1.00 0.00 N ATOM 0 H ASN A 112 -13.438 -12.504 3.832 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.230 -12.203 6.069 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -12.327 -13.051 5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.076 -12.918 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.078 -15.673 4.963 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.908 -13.991 4.448 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.225 -9.809 5.385 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.860 -8.448 5.771 1.00 0.00 C ATOM 1848 C GLU A 113 -13.970 -7.474 5.396 1.00 0.00 C ATOM 1849 O GLU A 113 -14.518 -6.774 6.250 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.551 -8.017 5.101 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.030 -6.671 5.604 1.00 0.00 C ATOM 1852 CD GLU A 113 -9.803 -6.184 4.854 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -8.935 -7.015 4.524 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -9.701 -4.959 4.606 1.00 0.00 O ATOM 0 H GLU A 113 -13.016 -10.045 4.415 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.718 -8.435 6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.793 -8.781 5.275 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.704 -7.960 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.821 -5.927 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.790 -6.755 6.664 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.299 -7.444 4.110 1.00 0.00 N ATOM 1862 CA GLU A 114 -15.319 -6.542 3.586 1.00 0.00 C ATOM 1863 C GLU A 114 -16.664 -6.797 4.262 1.00 0.00 C ATOM 1864 O GLU A 114 -17.399 -5.859 4.576 1.00 0.00 O ATOM 1865 CB GLU A 114 -15.446 -6.710 2.067 1.00 0.00 C ATOM 1866 CG GLU A 114 -16.458 -5.767 1.425 1.00 0.00 C ATOM 1867 CD GLU A 114 -16.563 -5.954 -0.079 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -17.335 -6.832 -0.522 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -15.886 -5.217 -0.828 1.00 0.00 O ATOM 0 H GLU A 114 -13.869 -8.041 3.404 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.016 -5.517 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -14.470 -6.546 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.732 -7.739 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.437 -5.930 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.175 -4.736 1.640 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.979 -8.070 4.487 1.00 0.00 N ATOM 1877 CA LYS A 115 -18.217 -8.447 5.163 1.00 0.00 C ATOM 1878 C LYS A 115 -17.911 -9.019 6.545 1.00 0.00 C ATOM 1879 O LYS A 115 -18.591 -9.936 7.016 1.00 0.00 O ATOM 1880 CB LYS A 115 -19.005 -9.461 4.319 1.00 0.00 C ATOM 1881 CG LYS A 115 -19.446 -8.924 2.959 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.324 -9.927 2.212 1.00 0.00 C ATOM 1883 CE LYS A 115 -21.630 -10.203 2.954 1.00 0.00 C ATOM 1884 NZ LYS A 115 -22.417 -11.289 2.309 1.00 0.00 N ATOM 0 H LYS A 115 -16.394 -8.858 4.211 1.00 0.00 H new ATOM 0 HA LYS A 115 -18.832 -7.556 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.390 -10.348 4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.886 -9.777 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -19.994 -7.992 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -18.567 -8.691 2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.546 -9.544 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.777 -10.861 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.410 -10.478 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.228 -9.292 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.296 -11.445 2.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.649 -11.017 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.857 -12.165 2.300 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.883 -8.462 7.191 1.00 0.00 N ATOM 1899 CA ASP A 116 -16.515 -8.842 8.559 1.00 0.00 C ATOM 1900 C ASP A 116 -17.733 -8.742 9.471 1.00 0.00 C ATOM 1901 O ASP A 116 -17.991 -9.624 10.298 1.00 0.00 O ATOM 1902 CB ASP A 116 -15.392 -7.931 9.078 1.00 0.00 C ATOM 1903 CG ASP A 116 -14.998 -8.233 10.518 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -14.109 -9.085 10.733 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -15.566 -7.608 11.440 1.00 0.00 O ATOM 0 H ASP A 116 -16.286 -7.741 6.785 1.00 0.00 H new ATOM 0 HA ASP A 116 -16.157 -9.872 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.517 -8.041 8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.712 -6.892 9.005 1.00 0.00 H new ATOM 1910 N LYS A 117 -18.477 -7.658 9.303 1.00 0.00 N ATOM 1911 CA LYS A 117 -19.734 -7.452 10.003 1.00 0.00 C ATOM 1912 C LYS A 117 -20.890 -7.628 9.020 1.00 0.00 C ATOM 1913 O LYS A 117 -21.647 -8.613 9.155 1.00 0.00 O ATOM 1914 CB LYS A 117 -19.774 -6.054 10.637 1.00 0.00 C ATOM 1915 CG LYS A 117 -21.079 -5.754 11.372 1.00 0.00 C ATOM 1916 CD LYS A 117 -21.071 -4.365 12.001 1.00 0.00 C ATOM 1917 CE LYS A 117 -22.360 -4.085 12.764 1.00 0.00 C ATOM 1918 NZ LYS A 117 -22.577 -5.060 13.868 1.00 0.00 N ATOM 1919 OXT LYS A 117 -21.009 -6.797 8.091 1.00 0.00 O ATOM 0 H LYS A 117 -18.224 -6.895 8.675 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.826 -8.186 10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -18.943 -5.957 11.335 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -19.625 -5.306 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.914 -5.832 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.239 -6.503 12.148 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.221 -4.277 12.678 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.938 -3.614 11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.327 -3.075 13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -23.204 -4.123 12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.321 -4.706 14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -22.869 -5.976 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -21.693 -5.181 14.403 1.00 0.00 H new TER 1933 LYS A 117