USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 487 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 22 THR OG1 : rot 135:sc= 1.76 USER MOD Set 1.2: A 26 HIS :FLIP no HE2:sc= -1.02! C(o=-1.1!,f=0.74!) USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.0543 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0518 (180deg=-0.372) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 154:sc= -0.952 (180deg=-1.81!) USER MOD Single : A 21 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc=-0.00593 (180deg=-0.0613) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.04 K(o=1,f=-5.3!) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -0.308 (180deg=-2.03!) USER MOD Single : A 48 ASN : amide:sc= -0.0754 X(o=-0.075,f=-0.096) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.45 K(o=-1.4,f=-6.2!) USER MOD Single : A 60 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.03) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0.546 (180deg=0.0786) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.283 -20.704 -1.890 1.00 0.00 N ATOM 2 CA GLY A 1 18.088 -19.782 -1.076 1.00 0.00 C ATOM 3 C GLY A 1 18.167 -18.419 -1.716 1.00 0.00 C ATOM 4 O GLY A 1 17.206 -17.999 -2.375 1.00 0.00 O ATOM 0 H1 GLY A 1 16.631 -21.231 -1.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.737 -20.163 -2.590 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.911 -21.372 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.652 -19.695 -0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.092 -20.186 -0.949 1.00 0.00 H new ATOM 10 N PRO A 2 19.298 -17.701 -1.561 1.00 0.00 N ATOM 11 CA PRO A 2 19.444 -16.350 -2.098 1.00 0.00 C ATOM 12 C PRO A 2 19.454 -16.329 -3.625 1.00 0.00 C ATOM 13 O PRO A 2 20.339 -16.918 -4.260 1.00 0.00 O ATOM 14 CB PRO A 2 20.796 -15.879 -1.542 1.00 0.00 C ATOM 15 CG PRO A 2 21.546 -17.131 -1.234 1.00 0.00 C ATOM 16 CD PRO A 2 20.515 -18.155 -0.854 1.00 0.00 C ATOM 0 HA PRO A 2 18.610 -15.710 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.330 -15.268 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.664 -15.268 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.123 -17.462 -2.098 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.254 -16.971 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.810 -19.157 -1.167 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.363 -18.190 0.225 1.00 0.00 H new ATOM 24 N LEU A 3 18.455 -15.639 -4.190 1.00 0.00 N ATOM 25 CA LEU A 3 18.241 -15.463 -5.640 1.00 0.00 C ATOM 26 C LEU A 3 17.914 -16.789 -6.353 1.00 0.00 C ATOM 27 O LEU A 3 16.899 -16.897 -7.039 1.00 0.00 O ATOM 28 CB LEU A 3 19.429 -14.711 -6.301 1.00 0.00 C ATOM 29 CG LEU A 3 19.200 -14.075 -7.700 1.00 0.00 C ATOM 30 CD1 LEU A 3 19.102 -15.117 -8.806 1.00 0.00 C ATOM 31 CD2 LEU A 3 17.957 -13.185 -7.698 1.00 0.00 C ATOM 0 H LEU A 3 17.743 -15.168 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 3 17.358 -14.835 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.743 -13.919 -5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.262 -15.409 -6.384 1.00 0.00 H new ATOM 0 HG LEU A 3 20.076 -13.461 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 3 18.942 -14.619 -9.762 1.00 0.00 H new ATOM 0 HD12 LEU A 3 20.027 -15.692 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 3 18.267 -15.787 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.818 -12.751 -8.688 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.083 -13.782 -7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.082 -12.386 -6.967 1.00 0.00 H new ATOM 43 N GLY A 4 18.753 -17.787 -6.162 1.00 0.00 N ATOM 44 CA GLY A 4 18.579 -19.043 -6.839 1.00 0.00 C ATOM 45 C GLY A 4 18.929 -18.940 -8.307 1.00 0.00 C ATOM 46 O GLY A 4 20.027 -18.488 -8.662 1.00 0.00 O ATOM 0 H GLY A 4 19.561 -17.746 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.205 -19.800 -6.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.546 -19.373 -6.733 1.00 0.00 H new ATOM 50 N SER A 5 18.023 -19.337 -9.152 1.00 0.00 N ATOM 51 CA SER A 5 18.241 -19.264 -10.559 1.00 0.00 C ATOM 52 C SER A 5 17.109 -18.485 -11.202 1.00 0.00 C ATOM 53 O SER A 5 16.030 -19.026 -11.482 1.00 0.00 O ATOM 54 CB SER A 5 18.365 -20.669 -11.160 1.00 0.00 C ATOM 55 OG SER A 5 18.782 -20.615 -12.514 1.00 0.00 O ATOM 0 H SER A 5 17.116 -19.719 -8.882 1.00 0.00 H new ATOM 0 HA SER A 5 19.178 -18.744 -10.755 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.080 -21.253 -10.580 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.405 -21.182 -11.093 1.00 0.00 H new ATOM 0 HG SER A 5 18.854 -21.525 -12.871 1.00 0.00 H new ATOM 61 N LYS A 6 17.345 -17.213 -11.419 1.00 0.00 N ATOM 62 CA LYS A 6 16.349 -16.359 -12.008 1.00 0.00 C ATOM 63 C LYS A 6 16.525 -16.369 -13.514 1.00 0.00 C ATOM 64 O LYS A 6 17.110 -15.462 -14.092 1.00 0.00 O ATOM 65 CB LYS A 6 16.461 -14.935 -11.437 1.00 0.00 C ATOM 66 CG LYS A 6 15.412 -13.954 -11.946 1.00 0.00 C ATOM 67 CD LYS A 6 14.017 -14.393 -11.557 1.00 0.00 C ATOM 68 CE LYS A 6 12.969 -13.377 -11.970 1.00 0.00 C ATOM 69 NZ LYS A 6 13.185 -12.069 -11.311 1.00 0.00 N ATOM 0 H LYS A 6 18.224 -16.747 -11.194 1.00 0.00 H new ATOM 0 HA LYS A 6 15.352 -16.727 -11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.390 -14.989 -10.351 1.00 0.00 H new ATOM 0 HB3 LYS A 6 17.450 -14.542 -11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 6 15.610 -12.962 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.481 -13.874 -13.031 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.795 -15.353 -12.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.971 -14.544 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.994 -13.248 -13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.978 -13.753 -11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.324 -11.492 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.406 -12.219 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.977 -11.576 -11.770 1.00 0.00 H new ATOM 83 N TYR A 7 16.067 -17.438 -14.131 1.00 0.00 N ATOM 84 CA TYR A 7 16.226 -17.626 -15.562 1.00 0.00 C ATOM 85 C TYR A 7 14.993 -18.355 -16.102 1.00 0.00 C ATOM 86 O TYR A 7 15.048 -19.083 -17.090 1.00 0.00 O ATOM 87 CB TYR A 7 17.505 -18.450 -15.807 1.00 0.00 C ATOM 88 CG TYR A 7 18.044 -18.402 -17.226 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.765 -17.298 -17.662 1.00 0.00 C ATOM 90 CD2 TYR A 7 17.846 -19.447 -18.116 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.273 -17.234 -18.942 1.00 0.00 C ATOM 92 CE2 TYR A 7 18.353 -19.394 -19.402 1.00 0.00 C ATOM 93 CZ TYR A 7 19.064 -18.282 -19.808 1.00 0.00 C ATOM 94 OH TYR A 7 19.567 -18.218 -21.084 1.00 0.00 O ATOM 0 H TYR A 7 15.576 -18.198 -13.660 1.00 0.00 H new ATOM 0 HA TYR A 7 16.318 -16.669 -16.076 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.281 -18.096 -15.129 1.00 0.00 H new ATOM 0 HB3 TYR A 7 17.304 -19.489 -15.547 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.931 -16.473 -16.985 1.00 0.00 H new ATOM 0 HD2 TYR A 7 17.287 -20.316 -17.800 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.831 -16.367 -19.263 1.00 0.00 H new ATOM 0 HE2 TYR A 7 18.194 -20.216 -20.084 1.00 0.00 H new ATOM 0 HH TYR A 7 19.334 -19.037 -21.569 1.00 0.00 H new ATOM 104 N GLU A 8 13.882 -18.145 -15.444 1.00 0.00 N ATOM 105 CA GLU A 8 12.654 -18.825 -15.785 1.00 0.00 C ATOM 106 C GLU A 8 11.677 -17.881 -16.464 1.00 0.00 C ATOM 107 O GLU A 8 11.412 -16.783 -15.966 1.00 0.00 O ATOM 108 CB GLU A 8 12.023 -19.406 -14.523 1.00 0.00 C ATOM 109 CG GLU A 8 10.739 -20.179 -14.760 1.00 0.00 C ATOM 110 CD GLU A 8 10.157 -20.722 -13.481 1.00 0.00 C ATOM 111 OE1 GLU A 8 9.492 -19.955 -12.746 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.373 -21.912 -13.189 1.00 0.00 O ATOM 0 H GLU A 8 13.801 -17.500 -14.658 1.00 0.00 H new ATOM 0 HA GLU A 8 12.888 -19.630 -16.482 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.745 -20.065 -14.041 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.819 -18.593 -13.826 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.009 -19.529 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.934 -21.003 -15.447 1.00 0.00 H new ATOM 119 N CYS A 9 11.152 -18.308 -17.596 1.00 0.00 N ATOM 120 CA CYS A 9 10.109 -17.579 -18.291 1.00 0.00 C ATOM 121 C CYS A 9 8.755 -18.036 -17.746 1.00 0.00 C ATOM 122 O CYS A 9 8.326 -19.159 -18.015 1.00 0.00 O ATOM 123 CB CYS A 9 10.206 -17.870 -19.798 1.00 0.00 C ATOM 124 SG CYS A 9 8.920 -17.107 -20.859 1.00 0.00 S ATOM 0 H CYS A 9 11.437 -19.171 -18.060 1.00 0.00 H new ATOM 0 HA CYS A 9 10.220 -16.506 -18.135 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.182 -17.534 -20.149 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.170 -18.950 -19.941 1.00 0.00 H new ATOM 129 N PRO A 10 8.062 -17.180 -16.963 1.00 0.00 N ATOM 130 CA PRO A 10 6.803 -17.555 -16.293 1.00 0.00 C ATOM 131 C PRO A 10 5.681 -17.910 -17.269 1.00 0.00 C ATOM 132 O PRO A 10 4.722 -18.592 -16.904 1.00 0.00 O ATOM 133 CB PRO A 10 6.421 -16.280 -15.521 1.00 0.00 C ATOM 134 CG PRO A 10 7.694 -15.522 -15.393 1.00 0.00 C ATOM 135 CD PRO A 10 8.458 -15.801 -16.651 1.00 0.00 C ATOM 0 HA PRO A 10 6.937 -18.443 -15.676 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.668 -15.702 -16.058 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.002 -16.519 -14.543 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.505 -14.455 -15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 10 8.254 -15.843 -14.515 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.189 -15.111 -17.451 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.534 -15.712 -16.501 1.00 0.00 H new ATOM 143 N ILE A 11 5.804 -17.451 -18.504 1.00 0.00 N ATOM 144 CA ILE A 11 4.812 -17.744 -19.520 1.00 0.00 C ATOM 145 C ILE A 11 4.789 -19.239 -19.877 1.00 0.00 C ATOM 146 O ILE A 11 3.720 -19.846 -19.977 1.00 0.00 O ATOM 147 CB ILE A 11 4.996 -16.855 -20.787 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.687 -15.394 -20.437 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.092 -17.327 -21.926 1.00 0.00 C ATOM 150 CD1 ILE A 11 5.015 -14.406 -21.538 1.00 0.00 C ATOM 0 H ILE A 11 6.582 -16.874 -18.825 1.00 0.00 H new ATOM 0 HA ILE A 11 3.839 -17.497 -19.095 1.00 0.00 H new ATOM 0 HB ILE A 11 6.030 -16.938 -21.123 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.629 -15.308 -20.191 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.246 -15.121 -19.542 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.241 -16.689 -22.797 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.339 -18.357 -22.184 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.050 -17.272 -21.610 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.766 -13.397 -21.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.079 -14.460 -21.770 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.436 -14.649 -22.429 1.00 0.00 H new ATOM 162 N CYS A 12 5.963 -19.833 -20.033 1.00 0.00 N ATOM 163 CA CYS A 12 6.052 -21.217 -20.474 1.00 0.00 C ATOM 164 C CYS A 12 6.569 -22.148 -19.380 1.00 0.00 C ATOM 165 O CYS A 12 6.566 -23.370 -19.552 1.00 0.00 O ATOM 166 CB CYS A 12 6.956 -21.304 -21.685 1.00 0.00 C ATOM 167 SG CYS A 12 8.625 -20.649 -21.387 1.00 0.00 S ATOM 0 H CYS A 12 6.862 -19.382 -19.862 1.00 0.00 H new ATOM 0 HA CYS A 12 5.044 -21.544 -20.727 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.033 -22.345 -21.998 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.500 -20.756 -22.510 1.00 0.00 H new ATOM 172 N LEU A 13 7.013 -21.564 -18.266 1.00 0.00 N ATOM 173 CA LEU A 13 7.605 -22.309 -17.134 1.00 0.00 C ATOM 174 C LEU A 13 8.877 -23.046 -17.573 1.00 0.00 C ATOM 175 O LEU A 13 9.268 -24.055 -16.979 1.00 0.00 O ATOM 176 CB LEU A 13 6.592 -23.307 -16.543 1.00 0.00 C ATOM 177 CG LEU A 13 5.270 -22.717 -16.032 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.349 -23.828 -15.553 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.523 -21.713 -14.915 1.00 0.00 C ATOM 0 H LEU A 13 6.976 -20.556 -18.115 1.00 0.00 H new ATOM 0 HA LEU A 13 7.870 -21.587 -16.362 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.362 -24.051 -17.305 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.073 -23.833 -15.718 1.00 0.00 H new ATOM 0 HG LEU A 13 4.785 -22.193 -16.855 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.415 -23.397 -15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.140 -24.509 -16.378 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.831 -24.376 -14.744 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.573 -21.308 -14.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.030 -22.210 -14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.148 -20.902 -15.289 1.00 0.00 H new ATOM 191 N MET A 14 9.525 -22.519 -18.598 1.00 0.00 N ATOM 192 CA MET A 14 10.744 -23.108 -19.120 1.00 0.00 C ATOM 193 C MET A 14 11.898 -22.129 -19.033 1.00 0.00 C ATOM 194 O MET A 14 11.702 -20.946 -18.723 1.00 0.00 O ATOM 195 CB MET A 14 10.572 -23.595 -20.570 1.00 0.00 C ATOM 196 CG MET A 14 9.573 -24.727 -20.743 1.00 0.00 C ATOM 197 SD MET A 14 9.526 -25.378 -22.435 1.00 0.00 S ATOM 198 CE MET A 14 8.839 -23.992 -23.335 1.00 0.00 C ATOM 0 H MET A 14 9.223 -21.677 -19.088 1.00 0.00 H new ATOM 0 HA MET A 14 10.969 -23.976 -18.500 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.258 -22.753 -21.187 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.541 -23.922 -20.947 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.825 -25.535 -20.056 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.580 -24.373 -20.468 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.163 -24.037 -24.375 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.751 -24.034 -23.292 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.184 -23.060 -22.887 1.00 0.00 H new ATOM 208 N ALA A 15 13.101 -22.635 -19.273 1.00 0.00 N ATOM 209 CA ALA A 15 14.296 -21.815 -19.324 1.00 0.00 C ATOM 210 C ALA A 15 14.195 -20.828 -20.484 1.00 0.00 C ATOM 211 O ALA A 15 13.523 -21.103 -21.486 1.00 0.00 O ATOM 212 CB ALA A 15 15.532 -22.693 -19.473 1.00 0.00 C ATOM 0 H ALA A 15 13.272 -23.627 -19.437 1.00 0.00 H new ATOM 0 HA ALA A 15 14.385 -21.255 -18.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.422 -22.065 -19.510 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.601 -23.371 -18.622 1.00 0.00 H new ATOM 0 HB3 ALA A 15 15.458 -23.272 -20.393 1.00 0.00 H new ATOM 218 N LEU A 16 14.868 -19.703 -20.357 1.00 0.00 N ATOM 219 CA LEU A 16 14.725 -18.613 -21.309 1.00 0.00 C ATOM 220 C LEU A 16 15.334 -19.005 -22.642 1.00 0.00 C ATOM 221 O LEU A 16 16.545 -19.214 -22.749 1.00 0.00 O ATOM 222 CB LEU A 16 15.460 -17.387 -20.785 1.00 0.00 C ATOM 223 CG LEU A 16 15.057 -16.887 -19.405 1.00 0.00 C ATOM 224 CD1 LEU A 16 15.919 -15.715 -19.005 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.597 -16.507 -19.378 1.00 0.00 C ATOM 0 H LEU A 16 15.525 -19.516 -19.599 1.00 0.00 H new ATOM 0 HA LEU A 16 13.665 -18.394 -21.439 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.527 -17.611 -20.768 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.317 -16.574 -21.497 1.00 0.00 H new ATOM 0 HG LEU A 16 15.208 -17.693 -18.687 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.622 -15.366 -18.016 1.00 0.00 H new ATOM 0 HD12 LEU A 16 16.964 -16.023 -18.982 1.00 0.00 H new ATOM 0 HD13 LEU A 16 15.794 -14.908 -19.727 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.332 -16.153 -18.382 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.413 -15.716 -20.105 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.990 -17.377 -19.627 1.00 0.00 H new ATOM 237 N ARG A 17 14.489 -19.121 -23.648 1.00 0.00 N ATOM 238 CA ARG A 17 14.936 -19.539 -24.955 1.00 0.00 C ATOM 239 C ARG A 17 15.757 -18.444 -25.654 1.00 0.00 C ATOM 240 O ARG A 17 16.820 -18.718 -26.205 1.00 0.00 O ATOM 241 CB ARG A 17 13.743 -19.969 -25.809 1.00 0.00 C ATOM 242 CG ARG A 17 14.123 -20.541 -27.162 1.00 0.00 C ATOM 243 CD ARG A 17 14.908 -21.825 -26.983 1.00 0.00 C ATOM 244 NE ARG A 17 15.274 -22.445 -28.250 1.00 0.00 N ATOM 245 CZ ARG A 17 16.197 -23.396 -28.377 1.00 0.00 C ATOM 246 NH1 ARG A 17 16.858 -23.828 -27.301 1.00 0.00 N ATOM 247 NH2 ARG A 17 16.451 -23.916 -29.566 1.00 0.00 N ATOM 0 H ARG A 17 13.489 -18.931 -23.581 1.00 0.00 H new ATOM 0 HA ARG A 17 15.597 -20.396 -24.827 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.167 -20.714 -25.260 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.090 -19.110 -25.960 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.225 -20.733 -27.749 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.718 -19.816 -27.718 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.812 -21.616 -26.412 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.316 -22.528 -26.397 1.00 0.00 H new ATOM 0 HE ARG A 17 14.793 -22.131 -29.093 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.656 -23.430 -26.384 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.566 -24.557 -27.396 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.940 -23.588 -30.386 1.00 0.00 H new ATOM 0 HH22 ARG A 17 17.158 -24.645 -29.663 1.00 0.00 H new ATOM 261 N GLU A 18 15.260 -17.214 -25.628 1.00 0.00 N ATOM 262 CA GLU A 18 15.989 -16.102 -26.239 1.00 0.00 C ATOM 263 C GLU A 18 16.448 -15.091 -25.190 1.00 0.00 C ATOM 264 O GLU A 18 17.333 -14.283 -25.453 1.00 0.00 O ATOM 265 CB GLU A 18 15.144 -15.380 -27.312 1.00 0.00 C ATOM 266 CG GLU A 18 14.684 -16.249 -28.476 1.00 0.00 C ATOM 267 CD GLU A 18 13.423 -17.027 -28.170 1.00 0.00 C ATOM 268 OE1 GLU A 18 12.918 -16.938 -27.039 1.00 0.00 O ATOM 269 OE2 GLU A 18 12.900 -17.700 -29.074 1.00 0.00 O ATOM 0 H GLU A 18 14.370 -16.960 -25.199 1.00 0.00 H new ATOM 0 HA GLU A 18 16.865 -16.536 -26.721 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.265 -14.952 -26.830 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.726 -14.548 -27.709 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.512 -15.618 -29.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.480 -16.946 -28.739 1.00 0.00 H new ATOM 276 N ALA A 19 15.842 -15.165 -24.007 1.00 0.00 N ATOM 277 CA ALA A 19 16.159 -14.298 -22.863 1.00 0.00 C ATOM 278 C ALA A 19 16.055 -12.787 -23.171 1.00 0.00 C ATOM 279 O ALA A 19 17.051 -12.135 -23.470 1.00 0.00 O ATOM 280 CB ALA A 19 17.521 -14.645 -22.269 1.00 0.00 C ATOM 0 H ALA A 19 15.103 -15.839 -23.808 1.00 0.00 H new ATOM 0 HA ALA A 19 15.388 -14.501 -22.119 1.00 0.00 H new ATOM 0 HB1 ALA A 19 17.728 -13.987 -21.425 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.517 -15.681 -21.929 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.293 -14.515 -23.028 1.00 0.00 H new ATOM 286 N VAL A 20 14.851 -12.250 -23.110 1.00 0.00 N ATOM 287 CA VAL A 20 14.648 -10.814 -23.258 1.00 0.00 C ATOM 288 C VAL A 20 14.124 -10.200 -21.964 1.00 0.00 C ATOM 289 O VAL A 20 13.053 -10.563 -21.469 1.00 0.00 O ATOM 290 CB VAL A 20 13.741 -10.440 -24.465 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.455 -10.735 -25.774 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.403 -11.177 -24.423 1.00 0.00 C ATOM 0 H VAL A 20 13.995 -12.784 -22.959 1.00 0.00 H new ATOM 0 HA VAL A 20 15.628 -10.388 -23.475 1.00 0.00 H new ATOM 0 HB VAL A 20 13.534 -9.372 -24.398 1.00 0.00 H new ATOM 0 HG11 VAL A 20 13.808 -10.468 -26.610 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.374 -10.152 -25.826 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.695 -11.797 -25.826 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.801 -10.887 -25.284 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.579 -12.252 -24.449 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.874 -10.918 -23.506 1.00 0.00 H new ATOM 302 N GLN A 21 14.919 -9.316 -21.395 1.00 0.00 N ATOM 303 CA GLN A 21 14.584 -8.667 -20.149 1.00 0.00 C ATOM 304 C GLN A 21 13.661 -7.470 -20.361 1.00 0.00 C ATOM 305 O GLN A 21 13.885 -6.650 -21.249 1.00 0.00 O ATOM 306 CB GLN A 21 15.845 -8.270 -19.379 1.00 0.00 C ATOM 307 CG GLN A 21 15.568 -7.702 -17.996 1.00 0.00 C ATOM 308 CD GLN A 21 16.828 -7.526 -17.185 1.00 0.00 C ATOM 309 OE1 GLN A 21 17.800 -8.253 -17.363 1.00 0.00 O ATOM 310 NE2 GLN A 21 16.823 -6.569 -16.288 1.00 0.00 N ATOM 0 H GLN A 21 15.816 -9.029 -21.786 1.00 0.00 H new ATOM 0 HA GLN A 21 14.036 -9.389 -19.544 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.489 -9.144 -19.280 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.397 -7.532 -19.961 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.065 -6.740 -18.095 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.886 -8.365 -17.464 1.00 0.00 H new ATOM 0 HE21 GLN A 21 15.995 -5.985 -16.170 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.647 -6.409 -15.709 1.00 0.00 H new ATOM 319 N THR A 22 12.630 -7.389 -19.553 1.00 0.00 N ATOM 320 CA THR A 22 11.737 -6.257 -19.544 1.00 0.00 C ATOM 321 C THR A 22 12.304 -5.179 -18.610 1.00 0.00 C ATOM 322 O THR A 22 13.141 -5.488 -17.755 1.00 0.00 O ATOM 323 CB THR A 22 10.343 -6.690 -19.037 1.00 0.00 C ATOM 324 OG1 THR A 22 10.446 -7.205 -17.695 1.00 0.00 O ATOM 325 CG2 THR A 22 9.753 -7.761 -19.943 1.00 0.00 C ATOM 0 H THR A 22 12.386 -8.114 -18.878 1.00 0.00 H new ATOM 0 HA THR A 22 11.643 -5.862 -20.556 1.00 0.00 H new ATOM 0 HB THR A 22 9.689 -5.818 -19.046 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.723 -6.835 -17.146 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.771 -8.053 -19.570 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.654 -7.368 -20.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.410 -8.630 -19.954 1.00 0.00 H new ATOM 333 N PRO A 23 11.868 -3.902 -18.747 1.00 0.00 N ATOM 334 CA PRO A 23 12.351 -2.800 -17.891 1.00 0.00 C ATOM 335 C PRO A 23 12.149 -3.096 -16.405 1.00 0.00 C ATOM 336 O PRO A 23 13.002 -2.771 -15.574 1.00 0.00 O ATOM 337 CB PRO A 23 11.480 -1.617 -18.312 1.00 0.00 C ATOM 338 CG PRO A 23 11.087 -1.932 -19.711 1.00 0.00 C ATOM 339 CD PRO A 23 10.891 -3.419 -19.747 1.00 0.00 C ATOM 0 HA PRO A 23 13.420 -2.628 -18.013 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.607 -1.515 -17.667 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.030 -0.678 -18.255 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.172 -1.409 -19.989 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.859 -1.621 -20.415 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.871 -3.699 -19.484 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.089 -3.829 -20.737 1.00 0.00 H new ATOM 347 N CYS A 24 11.026 -3.733 -16.081 1.00 0.00 N ATOM 348 CA CYS A 24 10.710 -4.084 -14.706 1.00 0.00 C ATOM 349 C CYS A 24 11.653 -5.162 -14.148 1.00 0.00 C ATOM 350 O CYS A 24 11.743 -5.356 -12.940 1.00 0.00 O ATOM 351 CB CYS A 24 9.242 -4.496 -14.582 1.00 0.00 C ATOM 352 SG CYS A 24 8.587 -5.416 -16.014 1.00 0.00 S ATOM 0 H CYS A 24 10.319 -4.016 -16.759 1.00 0.00 H new ATOM 0 HA CYS A 24 10.867 -3.195 -14.095 1.00 0.00 H new ATOM 0 HB2 CYS A 24 9.125 -5.109 -13.689 1.00 0.00 H new ATOM 0 HB3 CYS A 24 8.638 -3.600 -14.435 1.00 0.00 H new ATOM 357 N GLY A 25 12.349 -5.858 -15.035 1.00 0.00 N ATOM 358 CA GLY A 25 13.352 -6.801 -14.596 1.00 0.00 C ATOM 359 C GLY A 25 12.901 -8.239 -14.635 1.00 0.00 C ATOM 360 O GLY A 25 13.188 -9.008 -13.717 1.00 0.00 O ATOM 0 H GLY A 25 12.237 -5.786 -16.046 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.237 -6.692 -15.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.649 -6.552 -13.577 1.00 0.00 H new ATOM 364 N HIS A 26 12.199 -8.611 -15.682 1.00 0.00 N ATOM 365 CA HIS A 26 11.802 -9.999 -15.871 1.00 0.00 C ATOM 366 C HIS A 26 12.351 -10.434 -17.195 1.00 0.00 C ATOM 367 O HIS A 26 12.402 -9.639 -18.118 1.00 0.00 O ATOM 368 CB HIS A 26 10.285 -10.139 -15.953 1.00 0.00 C ATOM 369 CG HIS A 26 9.523 -9.532 -14.837 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.943 -8.330 -14.760 1.00 0.00 N flip ATOM 371 CD2 HIS A 26 9.258 -10.161 -13.643 1.00 0.00 C flip ATOM 372 CE1 HIS A 26 8.333 -8.235 -13.549 1.00 0.00 C flip ATOM 373 NE2 HIS A 26 8.537 -9.355 -12.882 1.00 0.00 N flip ATOM 0 H HIS A 26 11.889 -7.977 -16.418 1.00 0.00 H new ATOM 0 HA HIS A 26 12.170 -10.591 -15.033 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.947 -9.689 -16.887 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.038 -11.200 -16.003 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.956 -7.611 -15.483 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.586 -11.153 -13.371 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.774 -7.383 -13.192 1.00 0.00 H new ATOM 380 N ARG A 27 12.778 -11.658 -17.304 1.00 0.00 N ATOM 381 CA ARG A 27 13.215 -12.138 -18.588 1.00 0.00 C ATOM 382 C ARG A 27 12.256 -13.178 -19.123 1.00 0.00 C ATOM 383 O ARG A 27 11.774 -14.038 -18.383 1.00 0.00 O ATOM 384 CB ARG A 27 14.659 -12.642 -18.566 1.00 0.00 C ATOM 385 CG ARG A 27 15.676 -11.553 -18.269 1.00 0.00 C ATOM 386 CD ARG A 27 17.104 -12.073 -18.264 1.00 0.00 C ATOM 387 NE ARG A 27 17.371 -12.982 -17.148 1.00 0.00 N ATOM 388 CZ ARG A 27 18.539 -13.580 -16.926 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.553 -13.410 -17.764 1.00 0.00 N ATOM 390 NH2 ARG A 27 18.697 -14.356 -15.878 1.00 0.00 N ATOM 0 H ARG A 27 12.834 -12.331 -16.540 1.00 0.00 H new ATOM 0 HA ARG A 27 13.207 -11.291 -19.274 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.750 -13.428 -17.816 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.893 -13.093 -19.530 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.584 -10.762 -19.013 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.452 -11.107 -17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 27 17.301 -12.590 -19.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.793 -11.230 -18.213 1.00 0.00 H new ATOM 0 HE ARG A 27 16.610 -13.170 -16.496 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.441 -12.817 -18.586 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.445 -13.872 -17.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.923 -14.502 -15.230 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.594 -14.812 -15.712 1.00 0.00 H new ATOM 404 N PHE A 28 11.972 -13.070 -20.395 1.00 0.00 N ATOM 405 CA PHE A 28 11.051 -13.952 -21.072 1.00 0.00 C ATOM 406 C PHE A 28 11.678 -14.447 -22.348 1.00 0.00 C ATOM 407 O PHE A 28 12.712 -13.936 -22.781 1.00 0.00 O ATOM 408 CB PHE A 28 9.748 -13.220 -21.424 1.00 0.00 C ATOM 409 CG PHE A 28 8.946 -12.739 -20.252 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.033 -13.573 -19.632 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.086 -11.447 -19.783 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.278 -13.128 -18.566 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.337 -10.999 -18.717 1.00 0.00 C ATOM 414 CZ PHE A 28 7.431 -11.839 -18.108 1.00 0.00 C ATOM 0 H PHE A 28 12.379 -12.357 -21.000 1.00 0.00 H new ATOM 0 HA PHE A 28 10.825 -14.784 -20.405 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.990 -12.364 -22.053 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.125 -13.887 -22.020 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.909 -14.586 -19.987 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.791 -10.780 -20.258 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.568 -13.790 -18.092 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.460 -9.988 -18.358 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.842 -11.487 -17.274 1.00 0.00 H new ATOM 424 N CYS A 29 11.089 -15.459 -22.930 1.00 0.00 N ATOM 425 CA CYS A 29 11.487 -15.889 -24.242 1.00 0.00 C ATOM 426 C CYS A 29 10.847 -14.945 -25.263 1.00 0.00 C ATOM 427 O CYS A 29 9.737 -14.439 -25.035 1.00 0.00 O ATOM 428 CB CYS A 29 11.005 -17.304 -24.493 1.00 0.00 C ATOM 429 SG CYS A 29 11.437 -18.493 -23.180 1.00 0.00 S ATOM 0 H CYS A 29 10.331 -16.000 -22.514 1.00 0.00 H new ATOM 0 HA CYS A 29 12.573 -15.870 -24.328 1.00 0.00 H new ATOM 0 HB2 CYS A 29 9.921 -17.290 -24.611 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.424 -17.655 -25.436 1.00 0.00 H new ATOM 434 N LYS A 30 11.508 -14.745 -26.389 1.00 0.00 N ATOM 435 CA LYS A 30 11.078 -13.758 -27.376 1.00 0.00 C ATOM 436 C LYS A 30 9.873 -14.260 -28.184 1.00 0.00 C ATOM 437 O LYS A 30 9.303 -13.549 -29.000 1.00 0.00 O ATOM 438 CB LYS A 30 12.249 -13.321 -28.284 1.00 0.00 C ATOM 439 CG LYS A 30 11.901 -12.213 -29.276 1.00 0.00 C ATOM 440 CD LYS A 30 13.103 -11.782 -30.108 1.00 0.00 C ATOM 441 CE LYS A 30 14.078 -10.949 -29.293 1.00 0.00 C ATOM 442 NZ LYS A 30 15.184 -10.414 -30.121 1.00 0.00 N ATOM 0 H LYS A 30 12.352 -15.255 -26.648 1.00 0.00 H new ATOM 0 HA LYS A 30 10.748 -12.871 -26.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.073 -12.983 -27.656 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.606 -14.189 -28.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.108 -12.558 -29.939 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.510 -11.352 -28.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.613 -12.664 -30.496 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.763 -11.206 -30.969 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.544 -10.122 -28.825 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.490 -11.558 -28.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.824 -9.853 -29.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.711 -11.203 -30.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.794 -9.811 -30.873 1.00 0.00 H new ATOM 456 N ALA A 31 9.462 -15.469 -27.927 1.00 0.00 N ATOM 457 CA ALA A 31 8.308 -15.993 -28.614 1.00 0.00 C ATOM 458 C ALA A 31 7.169 -16.194 -27.639 1.00 0.00 C ATOM 459 O ALA A 31 6.003 -16.157 -28.020 1.00 0.00 O ATOM 460 CB ALA A 31 8.646 -17.284 -29.330 1.00 0.00 C ATOM 0 H ALA A 31 9.898 -16.104 -27.259 1.00 0.00 H new ATOM 0 HA ALA A 31 7.993 -15.271 -29.367 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.759 -17.660 -29.841 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.434 -17.100 -30.060 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.988 -18.023 -28.605 1.00 0.00 H new ATOM 466 N CYS A 32 7.504 -16.354 -26.375 1.00 0.00 N ATOM 467 CA CYS A 32 6.495 -16.445 -25.350 1.00 0.00 C ATOM 468 C CYS A 32 5.874 -15.076 -25.097 1.00 0.00 C ATOM 469 O CYS A 32 4.656 -14.924 -25.149 1.00 0.00 O ATOM 470 CB CYS A 32 7.103 -16.983 -24.062 1.00 0.00 C ATOM 471 SG CYS A 32 7.986 -18.558 -24.260 1.00 0.00 S ATOM 0 H CYS A 32 8.464 -16.423 -26.038 1.00 0.00 H new ATOM 0 HA CYS A 32 5.716 -17.129 -25.688 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.792 -16.240 -23.660 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.310 -17.113 -23.325 1.00 0.00 H new ATOM 476 N ILE A 33 6.718 -14.069 -24.872 1.00 0.00 N ATOM 477 CA ILE A 33 6.225 -12.742 -24.533 1.00 0.00 C ATOM 478 C ILE A 33 5.480 -12.091 -25.703 1.00 0.00 C ATOM 479 O ILE A 33 4.434 -11.484 -25.516 1.00 0.00 O ATOM 480 CB ILE A 33 7.341 -11.810 -23.973 1.00 0.00 C ATOM 481 CG1 ILE A 33 6.749 -10.512 -23.412 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.397 -11.507 -25.021 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.815 -10.713 -22.237 1.00 0.00 C ATOM 0 H ILE A 33 7.734 -14.148 -24.918 1.00 0.00 H new ATOM 0 HA ILE A 33 5.505 -12.883 -23.727 1.00 0.00 H new ATOM 0 HB ILE A 33 7.827 -12.345 -23.157 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.564 -9.857 -23.106 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.209 -9.999 -24.207 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.158 -10.854 -24.593 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.860 -12.437 -25.350 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.932 -11.012 -25.873 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.440 -9.746 -21.901 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.978 -11.341 -22.541 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.354 -11.197 -21.422 1.00 0.00 H new ATOM 495 N ILE A 34 5.991 -12.276 -26.916 1.00 0.00 N ATOM 496 CA ILE A 34 5.384 -11.680 -28.097 1.00 0.00 C ATOM 497 C ILE A 34 3.968 -12.199 -28.339 1.00 0.00 C ATOM 498 O ILE A 34 3.055 -11.415 -28.614 1.00 0.00 O ATOM 499 CB ILE A 34 6.270 -11.759 -29.373 1.00 0.00 C ATOM 500 CG1 ILE A 34 7.498 -10.857 -29.196 1.00 0.00 C ATOM 501 CG2 ILE A 34 5.491 -11.347 -30.621 1.00 0.00 C ATOM 502 CD1 ILE A 34 8.505 -10.948 -30.322 1.00 0.00 C ATOM 0 H ILE A 34 6.824 -12.834 -27.105 1.00 0.00 H new ATOM 0 HA ILE A 34 5.305 -10.616 -27.874 1.00 0.00 H new ATOM 0 HB ILE A 34 6.587 -12.793 -29.508 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.165 -9.823 -29.105 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.993 -11.116 -28.260 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.140 -11.414 -31.494 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.637 -12.011 -30.752 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.139 -10.322 -30.508 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.341 -10.279 -30.117 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.871 -11.972 -30.401 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.030 -10.659 -31.259 1.00 0.00 H new ATOM 514 N LYS A 35 3.759 -13.497 -28.162 1.00 0.00 N ATOM 515 CA LYS A 35 2.450 -14.079 -28.442 1.00 0.00 C ATOM 516 C LYS A 35 1.464 -13.789 -27.299 1.00 0.00 C ATOM 517 O LYS A 35 0.295 -14.142 -27.381 1.00 0.00 O ATOM 518 CB LYS A 35 2.551 -15.596 -28.660 1.00 0.00 C ATOM 519 CG LYS A 35 3.394 -16.039 -29.856 1.00 0.00 C ATOM 520 CD LYS A 35 2.817 -15.532 -31.162 1.00 0.00 C ATOM 521 CE LYS A 35 3.580 -16.064 -32.368 1.00 0.00 C ATOM 522 NZ LYS A 35 5.005 -15.657 -32.367 1.00 0.00 N ATOM 0 H LYS A 35 4.463 -14.157 -27.832 1.00 0.00 H new ATOM 0 HA LYS A 35 2.080 -13.617 -29.357 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.967 -16.047 -27.759 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.544 -15.995 -28.781 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.413 -15.670 -29.740 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.449 -17.127 -29.880 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.771 -15.829 -31.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.841 -14.442 -31.170 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.517 -17.152 -32.382 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.104 -15.706 -33.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.448 -15.943 -33.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.071 -14.624 -32.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.497 -16.118 -31.575 1.00 0.00 H new ATOM 536 N SER A 36 1.934 -13.120 -26.263 1.00 0.00 N ATOM 537 CA SER A 36 1.058 -12.680 -25.194 1.00 0.00 C ATOM 538 C SER A 36 0.811 -11.169 -25.267 1.00 0.00 C ATOM 539 O SER A 36 -0.209 -10.675 -24.783 1.00 0.00 O ATOM 540 CB SER A 36 1.633 -13.068 -23.828 1.00 0.00 C ATOM 541 OG SER A 36 1.676 -14.478 -23.679 1.00 0.00 O ATOM 0 H SER A 36 2.915 -12.870 -26.139 1.00 0.00 H new ATOM 0 HA SER A 36 0.099 -13.183 -25.319 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.637 -12.656 -23.721 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.024 -12.633 -23.036 1.00 0.00 H new ATOM 0 HG SER A 36 2.048 -14.703 -22.801 1.00 0.00 H new ATOM 547 N ILE A 37 1.703 -10.438 -25.931 1.00 0.00 N ATOM 548 CA ILE A 37 1.578 -8.987 -25.945 1.00 0.00 C ATOM 549 C ILE A 37 1.010 -8.469 -27.255 1.00 0.00 C ATOM 550 O ILE A 37 0.545 -7.336 -27.326 1.00 0.00 O ATOM 551 CB ILE A 37 2.917 -8.263 -25.625 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.008 -8.640 -26.636 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.362 -8.555 -24.201 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.312 -7.882 -26.456 1.00 0.00 C ATOM 0 H ILE A 37 2.496 -10.813 -26.451 1.00 0.00 H new ATOM 0 HA ILE A 37 0.872 -8.753 -25.148 1.00 0.00 H new ATOM 0 HB ILE A 37 2.747 -7.190 -25.711 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.208 -9.709 -26.556 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.632 -8.460 -27.643 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.300 -8.038 -24.000 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.600 -8.208 -23.503 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.505 -9.628 -24.077 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.029 -8.207 -27.210 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.130 -6.813 -26.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.714 -8.081 -25.463 1.00 0.00 H new ATOM 566 N ARG A 38 1.020 -9.293 -28.289 1.00 0.00 N ATOM 567 CA ARG A 38 0.399 -8.888 -29.545 1.00 0.00 C ATOM 568 C ARG A 38 -0.984 -9.506 -29.664 1.00 0.00 C ATOM 569 O ARG A 38 -1.688 -9.306 -30.653 1.00 0.00 O ATOM 570 CB ARG A 38 1.263 -9.255 -30.759 1.00 0.00 C ATOM 571 CG ARG A 38 1.317 -10.742 -31.092 1.00 0.00 C ATOM 572 CD ARG A 38 2.223 -10.993 -32.284 1.00 0.00 C ATOM 573 NE ARG A 38 1.720 -10.365 -33.509 1.00 0.00 N ATOM 574 CZ ARG A 38 2.439 -10.185 -34.622 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.699 -10.597 -34.682 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.895 -9.591 -35.671 1.00 0.00 N ATOM 0 H ARG A 38 1.439 -10.223 -28.290 1.00 0.00 H new ATOM 0 HA ARG A 38 0.307 -7.802 -29.535 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.886 -8.718 -31.629 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.279 -8.902 -30.582 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.680 -11.300 -30.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.313 -11.108 -31.308 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.220 -10.611 -32.066 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.321 -12.067 -32.443 1.00 0.00 H new ATOM 0 HE ARG A 38 0.752 -10.042 -33.513 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.125 -11.054 -33.876 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.241 -10.456 -35.534 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.928 -9.270 -35.631 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.443 -9.453 -36.520 1.00 0.00 H new ATOM 590 N ASP A 39 -1.369 -10.249 -28.639 1.00 0.00 N ATOM 591 CA ASP A 39 -2.649 -10.935 -28.637 1.00 0.00 C ATOM 592 C ASP A 39 -3.559 -10.397 -27.548 1.00 0.00 C ATOM 593 O ASP A 39 -4.686 -9.993 -27.820 1.00 0.00 O ATOM 594 CB ASP A 39 -2.459 -12.437 -28.442 1.00 0.00 C ATOM 595 CG ASP A 39 -3.778 -13.181 -28.450 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.362 -13.355 -29.542 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.244 -13.589 -27.366 1.00 0.00 O ATOM 0 H ASP A 39 -0.812 -10.392 -27.797 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.115 -10.755 -29.606 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.818 -12.827 -29.233 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.946 -12.618 -27.497 1.00 0.00 H new ATOM 602 N ALA A 40 -3.068 -10.392 -26.321 1.00 0.00 N ATOM 603 CA ALA A 40 -3.839 -9.882 -25.208 1.00 0.00 C ATOM 604 C ALA A 40 -3.646 -8.378 -25.071 1.00 0.00 C ATOM 605 O ALA A 40 -4.573 -7.599 -25.277 1.00 0.00 O ATOM 606 CB ALA A 40 -3.455 -10.600 -23.928 1.00 0.00 C ATOM 0 H ALA A 40 -2.140 -10.735 -26.074 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.896 -10.070 -25.398 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.043 -10.206 -23.099 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.650 -11.667 -24.037 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.395 -10.444 -23.727 1.00 0.00 H new ATOM 612 N GLY A 41 -2.443 -7.974 -24.729 1.00 0.00 N ATOM 613 CA GLY A 41 -2.137 -6.573 -24.630 1.00 0.00 C ATOM 614 C GLY A 41 -0.673 -6.363 -24.416 1.00 0.00 C ATOM 615 O GLY A 41 0.026 -7.290 -24.014 1.00 0.00 O ATOM 0 H GLY A 41 -1.665 -8.598 -24.516 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.453 -6.062 -25.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.697 -6.131 -23.805 1.00 0.00 H new ATOM 619 N HIS A 42 -0.197 -5.163 -24.667 1.00 0.00 N ATOM 620 CA HIS A 42 1.210 -4.873 -24.481 1.00 0.00 C ATOM 621 C HIS A 42 1.497 -4.545 -23.026 1.00 0.00 C ATOM 622 O HIS A 42 1.503 -3.378 -22.609 1.00 0.00 O ATOM 623 CB HIS A 42 1.686 -3.762 -25.423 1.00 0.00 C ATOM 624 CG HIS A 42 1.809 -4.195 -26.848 1.00 0.00 C ATOM 625 ND1 HIS A 42 0.903 -3.855 -27.829 1.00 0.00 N ATOM 626 CD2 HIS A 42 2.746 -4.956 -27.460 1.00 0.00 C ATOM 627 CE1 HIS A 42 1.277 -4.390 -28.979 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.390 -5.060 -28.779 1.00 0.00 N ATOM 0 H HIS A 42 -0.757 -4.377 -24.998 1.00 0.00 H new ATOM 0 HA HIS A 42 1.779 -5.766 -24.740 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.989 -2.926 -25.365 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.653 -3.396 -25.079 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.614 -5.399 -26.995 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.757 -4.293 -29.921 1.00 0.00 H new ATOM 0 HE2 HIS A 42 2.906 -5.575 -29.492 1.00 0.00 H new ATOM 637 N LYS A 43 1.674 -5.593 -22.245 1.00 0.00 N ATOM 638 CA LYS A 43 1.893 -5.480 -20.825 1.00 0.00 C ATOM 639 C LYS A 43 2.723 -6.648 -20.323 1.00 0.00 C ATOM 640 O LYS A 43 2.768 -7.699 -20.960 1.00 0.00 O ATOM 641 CB LYS A 43 0.546 -5.435 -20.088 1.00 0.00 C ATOM 642 CG LYS A 43 -0.289 -6.705 -20.243 1.00 0.00 C ATOM 643 CD LYS A 43 -1.619 -6.641 -19.490 1.00 0.00 C ATOM 644 CE LYS A 43 -2.657 -5.756 -20.191 1.00 0.00 C ATOM 645 NZ LYS A 43 -2.490 -4.313 -19.896 1.00 0.00 N ATOM 0 H LYS A 43 1.669 -6.554 -22.586 1.00 0.00 H new ATOM 0 HA LYS A 43 2.437 -4.556 -20.628 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.729 -5.260 -19.028 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.030 -4.586 -20.457 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.485 -6.878 -21.301 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.286 -7.558 -19.882 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.020 -7.649 -19.384 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.444 -6.260 -18.484 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.588 -5.910 -21.268 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.656 -6.069 -19.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.421 -3.885 -19.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.889 -4.198 -19.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.042 -3.842 -20.708 1.00 0.00 H new ATOM 659 N CYS A 44 3.380 -6.456 -19.202 1.00 0.00 N ATOM 660 CA CYS A 44 4.062 -7.541 -18.536 1.00 0.00 C ATOM 661 C CYS A 44 3.001 -8.312 -17.744 1.00 0.00 C ATOM 662 O CYS A 44 2.319 -7.737 -16.901 1.00 0.00 O ATOM 663 CB CYS A 44 5.139 -6.951 -17.601 1.00 0.00 C ATOM 664 SG CYS A 44 6.233 -8.156 -16.757 1.00 0.00 S ATOM 0 H CYS A 44 3.456 -5.555 -18.731 1.00 0.00 H new ATOM 0 HA CYS A 44 4.558 -8.211 -19.239 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.763 -6.273 -18.183 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.640 -6.351 -16.840 1.00 0.00 H new ATOM 669 N PRO A 45 2.848 -9.618 -18.001 1.00 0.00 N ATOM 670 CA PRO A 45 1.734 -10.418 -17.457 1.00 0.00 C ATOM 671 C PRO A 45 1.702 -10.532 -15.923 1.00 0.00 C ATOM 672 O PRO A 45 0.631 -10.672 -15.329 1.00 0.00 O ATOM 673 CB PRO A 45 1.943 -11.798 -18.095 1.00 0.00 C ATOM 674 CG PRO A 45 3.386 -11.826 -18.448 1.00 0.00 C ATOM 675 CD PRO A 45 3.725 -10.429 -18.863 1.00 0.00 C ATOM 0 HA PRO A 45 0.780 -9.945 -17.690 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.688 -12.599 -17.402 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.315 -11.928 -18.977 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.992 -12.140 -17.598 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.579 -12.533 -19.255 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.778 -10.201 -18.699 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.523 -10.260 -19.921 1.00 0.00 H new ATOM 683 N VAL A 46 2.857 -10.463 -15.288 1.00 0.00 N ATOM 684 CA VAL A 46 2.928 -10.712 -13.852 1.00 0.00 C ATOM 685 C VAL A 46 2.638 -9.468 -12.995 1.00 0.00 C ATOM 686 O VAL A 46 1.812 -9.515 -12.081 1.00 0.00 O ATOM 687 CB VAL A 46 4.266 -11.375 -13.428 1.00 0.00 C ATOM 688 CG1 VAL A 46 4.364 -12.785 -13.998 1.00 0.00 C ATOM 689 CG2 VAL A 46 5.456 -10.546 -13.881 1.00 0.00 C ATOM 0 H VAL A 46 3.748 -10.241 -15.731 1.00 0.00 H new ATOM 0 HA VAL A 46 2.125 -11.422 -13.654 1.00 0.00 H new ATOM 0 HB VAL A 46 4.283 -11.430 -12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.308 -13.236 -13.692 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.536 -13.387 -13.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.319 -12.741 -15.086 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.379 -11.035 -13.570 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.442 -10.453 -14.967 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.401 -9.555 -13.431 1.00 0.00 H new ATOM 699 N ASP A 47 3.294 -8.369 -13.294 1.00 0.00 N ATOM 700 CA ASP A 47 3.159 -7.145 -12.501 1.00 0.00 C ATOM 701 C ASP A 47 2.347 -6.091 -13.243 1.00 0.00 C ATOM 702 O ASP A 47 2.227 -4.952 -12.789 1.00 0.00 O ATOM 703 CB ASP A 47 4.548 -6.603 -12.113 1.00 0.00 C ATOM 704 CG ASP A 47 5.453 -6.358 -13.306 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.079 -6.676 -14.439 1.00 0.00 O ATOM 706 OD2 ASP A 47 6.586 -5.884 -13.139 1.00 0.00 O ATOM 0 H ASP A 47 3.933 -8.288 -14.085 1.00 0.00 H new ATOM 0 HA ASP A 47 2.617 -7.390 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.425 -5.671 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.031 -7.311 -11.439 1.00 0.00 H new ATOM 711 N ASN A 48 1.795 -6.497 -14.389 1.00 0.00 N ATOM 712 CA ASN A 48 0.932 -5.664 -15.249 1.00 0.00 C ATOM 713 C ASN A 48 1.533 -4.296 -15.585 1.00 0.00 C ATOM 714 O ASN A 48 0.835 -3.277 -15.626 1.00 0.00 O ATOM 715 CB ASN A 48 -0.548 -5.587 -14.778 1.00 0.00 C ATOM 716 CG ASN A 48 -0.772 -4.950 -13.414 1.00 0.00 C ATOM 717 OD1 ASN A 48 -0.705 -5.624 -12.378 1.00 0.00 O ATOM 718 ND2 ASN A 48 -1.070 -3.666 -13.402 1.00 0.00 N ATOM 0 H ASN A 48 1.936 -7.437 -14.759 1.00 0.00 H new ATOM 0 HA ASN A 48 0.896 -6.202 -16.196 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.118 -5.026 -15.519 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.957 -6.597 -14.759 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.255 -3.194 -12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.115 -3.145 -14.278 1.00 0.00 H new ATOM 725 N GLU A 49 2.828 -4.285 -15.844 1.00 0.00 N ATOM 726 CA GLU A 49 3.507 -3.077 -16.280 1.00 0.00 C ATOM 727 C GLU A 49 3.279 -2.867 -17.762 1.00 0.00 C ATOM 728 O GLU A 49 3.103 -3.833 -18.501 1.00 0.00 O ATOM 729 CB GLU A 49 5.005 -3.184 -16.024 1.00 0.00 C ATOM 730 CG GLU A 49 5.389 -3.220 -14.563 1.00 0.00 C ATOM 731 CD GLU A 49 4.995 -1.965 -13.842 1.00 0.00 C ATOM 732 OE1 GLU A 49 5.279 -0.862 -14.358 1.00 0.00 O ATOM 733 OE2 GLU A 49 4.429 -2.054 -12.736 1.00 0.00 O ATOM 0 H GLU A 49 3.433 -5.102 -15.760 1.00 0.00 H new ATOM 0 HA GLU A 49 3.104 -2.235 -15.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.380 -4.086 -16.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.503 -2.338 -16.497 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.913 -4.076 -14.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.466 -3.364 -14.476 1.00 0.00 H new ATOM 740 N ILE A 50 3.264 -1.621 -18.195 1.00 0.00 N ATOM 741 CA ILE A 50 3.136 -1.322 -19.612 1.00 0.00 C ATOM 742 C ILE A 50 4.406 -1.776 -20.329 1.00 0.00 C ATOM 743 O ILE A 50 5.505 -1.321 -20.001 1.00 0.00 O ATOM 744 CB ILE A 50 2.913 0.197 -19.845 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.625 0.675 -19.154 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.890 0.532 -21.336 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.359 0.005 -19.660 1.00 0.00 C ATOM 0 H ILE A 50 3.338 -0.802 -17.591 1.00 0.00 H new ATOM 0 HA ILE A 50 2.270 -1.852 -20.008 1.00 0.00 H new ATOM 0 HB ILE A 50 3.754 0.728 -19.399 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.713 0.496 -18.082 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.532 1.752 -19.291 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.732 1.603 -21.466 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.841 0.248 -21.787 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.081 -0.015 -21.819 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.502 0.399 -19.120 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.242 0.205 -20.725 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.427 -1.071 -19.498 1.00 0.00 H new ATOM 759 N LEU A 51 4.263 -2.668 -21.286 1.00 0.00 N ATOM 760 CA LEU A 51 5.417 -3.222 -21.969 1.00 0.00 C ATOM 761 C LEU A 51 5.314 -3.020 -23.469 1.00 0.00 C ATOM 762 O LEU A 51 4.310 -3.352 -24.074 1.00 0.00 O ATOM 763 CB LEU A 51 5.575 -4.715 -21.640 1.00 0.00 C ATOM 764 CG LEU A 51 6.730 -5.439 -22.328 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.068 -4.902 -21.840 1.00 0.00 C ATOM 766 CD2 LEU A 51 6.636 -6.940 -22.106 1.00 0.00 C ATOM 0 H LEU A 51 3.364 -3.025 -21.609 1.00 0.00 H new ATOM 0 HA LEU A 51 6.301 -2.691 -21.616 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.701 -4.817 -20.562 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.647 -5.224 -21.902 1.00 0.00 H new ATOM 0 HG LEU A 51 6.659 -5.252 -23.399 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.878 -5.431 -22.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.136 -3.837 -22.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.150 -5.052 -20.763 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.469 -7.435 -22.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.675 -7.153 -21.038 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.696 -7.310 -22.516 1.00 0.00 H new ATOM 778 N LEU A 52 6.352 -2.490 -24.062 1.00 0.00 N ATOM 779 CA LEU A 52 6.390 -2.293 -25.493 1.00 0.00 C ATOM 780 C LEU A 52 7.355 -3.291 -26.120 1.00 0.00 C ATOM 781 O LEU A 52 8.299 -3.741 -25.472 1.00 0.00 O ATOM 782 CB LEU A 52 6.778 -0.848 -25.861 1.00 0.00 C ATOM 783 CG LEU A 52 5.788 0.284 -25.495 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.406 0.020 -26.055 1.00 0.00 C ATOM 785 CD2 LEU A 52 5.736 0.547 -23.996 1.00 0.00 C ATOM 0 H LEU A 52 7.192 -2.183 -23.572 1.00 0.00 H new ATOM 0 HA LEU A 52 5.389 -2.464 -25.889 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.732 -0.626 -25.382 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.945 -0.811 -26.937 1.00 0.00 H new ATOM 0 HG LEU A 52 6.168 1.192 -25.963 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.739 0.836 -25.777 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.461 -0.050 -27.141 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.022 -0.916 -25.650 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.027 1.350 -23.792 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.418 -0.358 -23.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.725 0.838 -23.643 1.00 0.00 H new ATOM 797 N GLU A 53 7.111 -3.635 -27.368 1.00 0.00 N ATOM 798 CA GLU A 53 7.874 -4.670 -28.067 1.00 0.00 C ATOM 799 C GLU A 53 9.345 -4.290 -28.274 1.00 0.00 C ATOM 800 O GLU A 53 10.199 -5.161 -28.420 1.00 0.00 O ATOM 801 CB GLU A 53 7.215 -5.028 -29.396 1.00 0.00 C ATOM 802 CG GLU A 53 5.855 -5.688 -29.238 1.00 0.00 C ATOM 803 CD GLU A 53 5.188 -6.025 -30.551 1.00 0.00 C ATOM 804 OE1 GLU A 53 5.885 -6.082 -31.586 1.00 0.00 O ATOM 805 OE2 GLU A 53 3.960 -6.256 -30.552 1.00 0.00 O ATOM 0 H GLU A 53 6.378 -3.209 -27.935 1.00 0.00 H new ATOM 0 HA GLU A 53 7.866 -5.549 -27.422 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.104 -4.123 -29.993 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.873 -5.697 -29.951 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.970 -6.601 -28.654 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.203 -5.025 -28.669 1.00 0.00 H new ATOM 812 N ASN A 54 9.646 -3.007 -28.284 1.00 0.00 N ATOM 813 CA ASN A 54 11.036 -2.578 -28.459 1.00 0.00 C ATOM 814 C ASN A 54 11.759 -2.456 -27.129 1.00 0.00 C ATOM 815 O ASN A 54 12.897 -2.000 -27.076 1.00 0.00 O ATOM 816 CB ASN A 54 11.146 -1.273 -29.254 1.00 0.00 C ATOM 817 CG ASN A 54 10.802 -1.450 -30.716 1.00 0.00 C ATOM 818 OD1 ASN A 54 9.651 -1.277 -31.122 1.00 0.00 O ATOM 819 ND2 ASN A 54 11.791 -1.788 -31.513 1.00 0.00 N ATOM 0 H ASN A 54 8.970 -2.251 -28.176 1.00 0.00 H new ATOM 0 HA ASN A 54 11.526 -3.359 -29.041 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.481 -0.528 -28.816 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.161 -0.884 -29.168 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.621 -1.917 -32.510 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.729 -1.921 -31.134 1.00 0.00 H new ATOM 826 N GLN A 55 11.086 -2.853 -26.056 1.00 0.00 N ATOM 827 CA GLN A 55 11.695 -2.913 -24.733 1.00 0.00 C ATOM 828 C GLN A 55 12.422 -4.226 -24.553 1.00 0.00 C ATOM 829 O GLN A 55 13.161 -4.412 -23.594 1.00 0.00 O ATOM 830 CB GLN A 55 10.640 -2.777 -23.638 1.00 0.00 C ATOM 831 CG GLN A 55 9.893 -1.458 -23.637 1.00 0.00 C ATOM 832 CD GLN A 55 10.770 -0.257 -23.331 1.00 0.00 C ATOM 833 OE1 GLN A 55 11.969 -0.249 -23.592 1.00 0.00 O ATOM 834 NE2 GLN A 55 10.174 0.764 -22.768 1.00 0.00 N ATOM 0 H GLN A 55 10.108 -3.141 -26.078 1.00 0.00 H new ATOM 0 HA GLN A 55 12.399 -2.085 -24.653 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.919 -3.587 -23.745 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.123 -2.906 -22.669 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.425 -1.316 -24.611 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.090 -1.507 -22.902 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.175 0.723 -22.565 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.709 1.600 -22.532 1.00 0.00 H new ATOM 843 N LEU A 56 12.190 -5.137 -25.475 1.00 0.00 N ATOM 844 CA LEU A 56 12.744 -6.470 -25.395 1.00 0.00 C ATOM 845 C LEU A 56 14.220 -6.456 -25.778 1.00 0.00 C ATOM 846 O LEU A 56 14.570 -6.320 -26.954 1.00 0.00 O ATOM 847 CB LEU A 56 11.966 -7.427 -26.321 1.00 0.00 C ATOM 848 CG LEU A 56 10.562 -7.898 -25.862 1.00 0.00 C ATOM 849 CD1 LEU A 56 9.611 -6.737 -25.629 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.978 -8.859 -26.881 1.00 0.00 C ATOM 0 H LEU A 56 11.613 -4.973 -26.300 1.00 0.00 H new ATOM 0 HA LEU A 56 12.653 -6.822 -24.367 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.855 -6.939 -27.289 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.581 -8.313 -26.479 1.00 0.00 H new ATOM 0 HG LEU A 56 10.686 -8.408 -24.907 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.642 -7.119 -25.309 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.017 -6.084 -24.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.491 -6.173 -26.554 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.992 -9.185 -26.550 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.890 -8.358 -27.845 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.632 -9.725 -26.980 1.00 0.00 H new ATOM 862 N PHE A 57 15.077 -6.604 -24.784 1.00 0.00 N ATOM 863 CA PHE A 57 16.512 -6.632 -24.993 1.00 0.00 C ATOM 864 C PHE A 57 17.129 -7.740 -24.172 1.00 0.00 C ATOM 865 O PHE A 57 16.606 -8.092 -23.117 1.00 0.00 O ATOM 866 CB PHE A 57 17.165 -5.312 -24.555 1.00 0.00 C ATOM 867 CG PHE A 57 16.798 -4.103 -25.357 1.00 0.00 C ATOM 868 CD1 PHE A 57 17.316 -3.916 -26.628 1.00 0.00 C ATOM 869 CD2 PHE A 57 15.953 -3.141 -24.830 1.00 0.00 C ATOM 870 CE1 PHE A 57 16.992 -2.794 -27.363 1.00 0.00 C ATOM 871 CE2 PHE A 57 15.629 -2.015 -25.556 1.00 0.00 C ATOM 872 CZ PHE A 57 16.146 -1.842 -26.826 1.00 0.00 C ATOM 0 H PHE A 57 14.797 -6.708 -23.809 1.00 0.00 H new ATOM 0 HA PHE A 57 16.683 -6.791 -26.058 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.902 -5.127 -23.514 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.247 -5.434 -24.593 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.981 -4.656 -27.048 1.00 0.00 H new ATOM 0 HD2 PHE A 57 15.543 -3.274 -23.840 1.00 0.00 H new ATOM 0 HE1 PHE A 57 17.398 -2.660 -28.355 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.972 -1.269 -25.133 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.889 -0.963 -27.399 1.00 0.00 H new ATOM 882 N PRO A 58 18.229 -8.318 -24.637 1.00 0.00 N ATOM 883 CA PRO A 58 19.037 -9.198 -23.811 1.00 0.00 C ATOM 884 C PRO A 58 19.751 -8.357 -22.740 1.00 0.00 C ATOM 885 O PRO A 58 20.031 -7.172 -22.969 1.00 0.00 O ATOM 886 CB PRO A 58 20.022 -9.807 -24.812 1.00 0.00 C ATOM 887 CG PRO A 58 20.151 -8.780 -25.876 1.00 0.00 C ATOM 888 CD PRO A 58 18.791 -8.152 -25.994 1.00 0.00 C ATOM 0 HA PRO A 58 18.477 -9.965 -23.276 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.984 -10.018 -24.345 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.649 -10.750 -25.213 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.905 -8.037 -25.615 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.459 -9.229 -26.820 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.855 -7.102 -26.279 1.00 0.00 H new ATOM 0 HD3 PRO A 58 18.181 -8.650 -26.747 1.00 0.00 H new ATOM 896 N ASP A 59 20.042 -8.951 -21.597 1.00 0.00 N ATOM 897 CA ASP A 59 20.574 -8.203 -20.446 1.00 0.00 C ATOM 898 C ASP A 59 21.911 -7.534 -20.763 1.00 0.00 C ATOM 899 O ASP A 59 22.881 -8.193 -21.157 1.00 0.00 O ATOM 900 CB ASP A 59 20.687 -9.116 -19.232 1.00 0.00 C ATOM 901 CG ASP A 59 21.299 -8.443 -18.027 1.00 0.00 C ATOM 902 OD1 ASP A 59 20.693 -7.498 -17.477 1.00 0.00 O ATOM 903 OD2 ASP A 59 22.397 -8.855 -17.620 1.00 0.00 O ATOM 0 H ASP A 59 19.923 -9.950 -21.430 1.00 0.00 H new ATOM 0 HA ASP A 59 19.871 -7.402 -20.216 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.695 -9.482 -18.969 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.288 -9.986 -19.496 1.00 0.00 H new ATOM 908 N ASN A 60 21.945 -6.213 -20.582 1.00 0.00 N ATOM 909 CA ASN A 60 23.081 -5.385 -20.989 1.00 0.00 C ATOM 910 C ASN A 60 24.302 -5.559 -20.111 1.00 0.00 C ATOM 911 O ASN A 60 24.210 -5.723 -18.891 1.00 0.00 O ATOM 912 CB ASN A 60 22.711 -3.892 -21.087 1.00 0.00 C ATOM 913 CG ASN A 60 22.229 -3.295 -19.778 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.020 -2.848 -18.947 1.00 0.00 O ATOM 915 ND2 ASN A 60 20.925 -3.259 -19.595 1.00 0.00 N ATOM 0 H ASN A 60 21.186 -5.687 -20.149 1.00 0.00 H new ATOM 0 HA ASN A 60 23.344 -5.745 -21.984 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.581 -3.333 -21.432 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.933 -3.768 -21.841 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.541 -2.851 -18.743 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.300 -3.639 -20.306 1.00 0.00 H new ATOM 922 N PHE A 61 25.433 -5.514 -20.759 1.00 0.00 N ATOM 923 CA PHE A 61 26.738 -5.627 -20.153 1.00 0.00 C ATOM 924 C PHE A 61 27.681 -4.995 -21.170 1.00 0.00 C ATOM 925 O PHE A 61 27.191 -4.375 -22.124 1.00 0.00 O ATOM 926 CB PHE A 61 27.064 -7.125 -19.921 1.00 0.00 C ATOM 927 CG PHE A 61 28.289 -7.407 -19.087 1.00 0.00 C ATOM 928 CD1 PHE A 61 28.261 -7.226 -17.714 1.00 0.00 C ATOM 929 CD2 PHE A 61 29.461 -7.853 -19.674 1.00 0.00 C ATOM 930 CE1 PHE A 61 29.377 -7.485 -16.939 1.00 0.00 C ATOM 931 CE2 PHE A 61 30.580 -8.116 -18.906 1.00 0.00 C ATOM 932 CZ PHE A 61 30.536 -7.933 -17.536 1.00 0.00 C ATOM 0 H PHE A 61 25.476 -5.392 -21.771 1.00 0.00 H new ATOM 0 HA PHE A 61 26.816 -5.137 -19.182 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.205 -7.595 -19.442 1.00 0.00 H new ATOM 0 HB3 PHE A 61 27.190 -7.605 -20.892 1.00 0.00 H new ATOM 0 HD1 PHE A 61 27.354 -6.878 -17.242 1.00 0.00 H new ATOM 0 HD2 PHE A 61 29.501 -7.997 -20.744 1.00 0.00 H new ATOM 0 HE1 PHE A 61 29.341 -7.337 -15.870 1.00 0.00 H new ATOM 0 HE2 PHE A 61 31.488 -8.464 -19.376 1.00 0.00 H new ATOM 0 HZ PHE A 61 31.409 -8.141 -16.934 1.00 0.00 H new ATOM 942 N ALA A 62 28.980 -5.092 -20.995 1.00 0.00 N ATOM 943 CA ALA A 62 29.887 -4.659 -22.048 1.00 0.00 C ATOM 944 C ALA A 62 29.838 -5.660 -23.199 1.00 0.00 C ATOM 945 O ALA A 62 30.637 -6.595 -23.264 1.00 0.00 O ATOM 946 CB ALA A 62 31.305 -4.489 -21.529 1.00 0.00 C ATOM 0 H ALA A 62 29.430 -5.457 -20.156 1.00 0.00 H new ATOM 0 HA ALA A 62 29.564 -3.682 -22.409 1.00 0.00 H new ATOM 0 HB1 ALA A 62 31.954 -4.165 -22.343 1.00 0.00 H new ATOM 0 HB2 ALA A 62 31.315 -3.740 -20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 62 31.665 -5.439 -21.135 1.00 0.00 H new ATOM 952 N LYS A 63 28.857 -5.480 -24.065 1.00 0.00 N ATOM 953 CA LYS A 63 28.578 -6.393 -25.161 1.00 0.00 C ATOM 954 C LYS A 63 27.859 -5.645 -26.284 1.00 0.00 C ATOM 955 O LYS A 63 26.823 -6.145 -26.790 1.00 0.00 O ATOM 956 CB LYS A 63 27.683 -7.541 -24.664 1.00 0.00 C ATOM 957 CG LYS A 63 26.412 -7.054 -23.967 1.00 0.00 C ATOM 958 CD LYS A 63 25.439 -8.178 -23.675 1.00 0.00 C ATOM 959 CE LYS A 63 24.938 -8.811 -24.970 1.00 0.00 C ATOM 960 NZ LYS A 63 24.492 -7.784 -25.956 1.00 0.00 N ATOM 961 OXT LYS A 63 28.291 -4.529 -26.618 1.00 0.00 O ATOM 0 H LYS A 63 28.221 -4.683 -24.027 1.00 0.00 H new ATOM 0 HA LYS A 63 29.518 -6.798 -25.535 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.407 -8.171 -25.510 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.252 -8.164 -23.974 1.00 0.00 H new ATOM 0 HG2 LYS A 63 26.681 -6.560 -23.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 25.922 -6.308 -24.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 25.925 -8.935 -23.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 24.595 -7.795 -23.102 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.732 -9.415 -25.409 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.110 -9.485 -24.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.976 -8.248 -26.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.867 -7.099 -25.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.322 -7.289 -26.341 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.267 -18.862 -22.451 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.901 -6.613 -15.013 1.00 0.00 ZN