USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 293 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= 1.27 (180deg=0.665) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 113:sc= 0.482 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.242 K(o=-0.24,f=-0.77) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.383 X(o=-0.38,f=0.011) USER MOD Single : A 32 THR OG1 : rot -39:sc= 0.394 USER MOD Single : A 34 GLN : amide:sc= 0.692 K(o=0.69,f=-5!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.605 -12.370 -4.892 1.00 0.00 N ATOM 2 CA TYR A 1 1.909 -11.157 -5.677 1.00 0.00 C ATOM 3 C TYR A 1 1.442 -9.933 -4.887 1.00 0.00 C ATOM 4 O TYR A 1 0.271 -9.574 -4.975 1.00 0.00 O ATOM 5 CB TYR A 1 1.285 -11.259 -7.082 1.00 0.00 C ATOM 6 CG TYR A 1 2.080 -10.581 -8.182 1.00 0.00 C ATOM 7 CD1 TYR A 1 3.231 -11.209 -8.702 1.00 0.00 C ATOM 8 CD2 TYR A 1 1.642 -9.358 -8.727 1.00 0.00 C ATOM 9 CE1 TYR A 1 3.955 -10.610 -9.753 1.00 0.00 C ATOM 10 CE2 TYR A 1 2.355 -8.763 -9.784 1.00 0.00 C ATOM 11 CZ TYR A 1 3.519 -9.378 -10.294 1.00 0.00 C ATOM 12 OH TYR A 1 4.215 -8.763 -11.289 1.00 0.00 O ATOM 0 H1 TYR A 1 1.918 -13.211 -5.418 1.00 0.00 H new ATOM 0 H2 TYR A 1 2.103 -12.327 -3.980 1.00 0.00 H new ATOM 0 H3 TYR A 1 0.580 -12.427 -4.725 1.00 0.00 H new ATOM 0 HA TYR A 1 2.982 -11.054 -5.837 1.00 0.00 H new ATOM 0 HB2 TYR A 1 1.166 -12.312 -7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.286 -10.823 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 1 3.559 -12.153 -8.293 1.00 0.00 H new ATOM 0 HD2 TYR A 1 0.759 -8.877 -8.333 1.00 0.00 H new ATOM 0 HE1 TYR A 1 4.840 -11.090 -10.144 1.00 0.00 H new ATOM 0 HE2 TYR A 1 2.010 -7.831 -10.207 1.00 0.00 H new ATOM 0 HH TYR A 1 3.765 -7.928 -11.535 1.00 0.00 H new ATOM 24 N PRO A 2 2.304 -9.349 -4.030 1.00 0.00 N ATOM 25 CA PRO A 2 1.945 -8.154 -3.280 1.00 0.00 C ATOM 26 C PRO A 2 1.910 -6.921 -4.192 1.00 0.00 C ATOM 27 O PRO A 2 2.276 -6.976 -5.365 1.00 0.00 O ATOM 28 CB PRO A 2 2.991 -8.037 -2.170 1.00 0.00 C ATOM 29 CG PRO A 2 4.220 -8.783 -2.690 1.00 0.00 C ATOM 30 CD PRO A 2 3.702 -9.699 -3.803 1.00 0.00 C ATOM 0 HA PRO A 2 0.943 -8.220 -2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.225 -6.994 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.629 -8.477 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.969 -8.088 -3.070 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.694 -9.360 -1.896 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.285 -9.566 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.795 -10.746 -3.515 1.00 0.00 H new ATOM 38 N ALA A 3 1.502 -5.787 -3.622 1.00 0.00 N ATOM 39 CA ALA A 3 1.472 -4.498 -4.291 1.00 0.00 C ATOM 40 C ALA A 3 2.312 -3.520 -3.467 1.00 0.00 C ATOM 41 O ALA A 3 2.192 -3.494 -2.245 1.00 0.00 O ATOM 42 CB ALA A 3 0.005 -4.075 -4.447 1.00 0.00 C ATOM 0 H ALA A 3 1.176 -5.745 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 3 1.903 -4.529 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.044 -3.108 -4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.527 -4.818 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.458 -3.998 -3.463 1.00 0.00 H new ATOM 48 N LYS A 4 3.184 -2.738 -4.114 1.00 0.00 N ATOM 49 CA LYS A 4 3.975 -1.694 -3.449 1.00 0.00 C ATOM 50 C LYS A 4 3.859 -0.393 -4.260 1.00 0.00 C ATOM 51 O LYS A 4 4.762 -0.066 -5.032 1.00 0.00 O ATOM 52 CB LYS A 4 5.408 -2.201 -3.177 1.00 0.00 C ATOM 53 CG LYS A 4 6.092 -1.478 -1.998 1.00 0.00 C ATOM 54 CD LYS A 4 6.891 -0.227 -2.406 1.00 0.00 C ATOM 55 CE LYS A 4 6.515 1.002 -1.568 1.00 0.00 C ATOM 56 NZ LYS A 4 6.538 2.238 -2.383 1.00 0.00 N ATOM 0 H LYS A 4 3.362 -2.811 -5.116 1.00 0.00 H new ATOM 0 HA LYS A 4 3.588 -1.456 -2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.375 -3.271 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.011 -2.069 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.332 -1.190 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.762 -2.177 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.957 -0.427 -2.296 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.714 -0.013 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.521 0.864 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.209 1.102 -0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.770 3.050 -1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.256 2.148 -3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.604 2.386 -2.816 1.00 0.00 H new ATOM 70 N PRO A 5 2.721 0.320 -4.142 1.00 0.00 N ATOM 71 CA PRO A 5 2.498 1.565 -4.869 1.00 0.00 C ATOM 72 C PRO A 5 3.453 2.663 -4.382 1.00 0.00 C ATOM 73 O PRO A 5 4.009 2.581 -3.282 1.00 0.00 O ATOM 74 CB PRO A 5 1.017 1.911 -4.669 1.00 0.00 C ATOM 75 CG PRO A 5 0.553 1.086 -3.467 1.00 0.00 C ATOM 76 CD PRO A 5 1.617 0.021 -3.240 1.00 0.00 C ATOM 0 HA PRO A 5 2.712 1.466 -5.933 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.886 2.977 -4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.435 1.667 -5.558 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.439 1.716 -2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.418 0.630 -3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.954 0.028 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.216 -0.973 -3.438 1.00 0.00 H new ATOM 84 N GLU A 6 3.682 3.684 -5.210 1.00 0.00 N ATOM 85 CA GLU A 6 4.505 4.832 -4.821 1.00 0.00 C ATOM 86 C GLU A 6 3.794 5.656 -3.737 1.00 0.00 C ATOM 87 O GLU A 6 2.568 5.756 -3.715 1.00 0.00 O ATOM 88 CB GLU A 6 4.827 5.688 -6.054 1.00 0.00 C ATOM 89 CG GLU A 6 5.950 6.706 -5.801 1.00 0.00 C ATOM 90 CD GLU A 6 6.142 7.607 -7.027 1.00 0.00 C ATOM 91 OE1 GLU A 6 6.469 7.046 -8.099 1.00 0.00 O ATOM 92 OE2 GLU A 6 5.908 8.829 -6.887 1.00 0.00 O ATOM 0 H GLU A 6 3.308 3.740 -6.157 1.00 0.00 H new ATOM 0 HA GLU A 6 5.445 4.474 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.115 5.035 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.927 6.218 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.708 7.314 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.880 6.183 -5.577 1.00 0.00 H new ATOM 99 N TYR A 7 4.583 6.261 -2.848 1.00 0.00 N ATOM 100 CA TYR A 7 4.113 7.102 -1.762 1.00 0.00 C ATOM 101 C TYR A 7 4.939 8.392 -1.751 1.00 0.00 C ATOM 102 O TYR A 7 6.031 8.401 -1.176 1.00 0.00 O ATOM 103 CB TYR A 7 4.212 6.325 -0.446 1.00 0.00 C ATOM 104 CG TYR A 7 3.654 7.075 0.746 1.00 0.00 C ATOM 105 CD1 TYR A 7 2.269 7.308 0.836 1.00 0.00 C ATOM 106 CD2 TYR A 7 4.514 7.541 1.759 1.00 0.00 C ATOM 107 CE1 TYR A 7 1.730 7.962 1.959 1.00 0.00 C ATOM 108 CE2 TYR A 7 3.983 8.202 2.883 1.00 0.00 C ATOM 109 CZ TYR A 7 2.590 8.407 2.987 1.00 0.00 C ATOM 110 OH TYR A 7 2.078 9.037 4.078 1.00 0.00 O ATOM 0 H TYR A 7 5.599 6.172 -2.871 1.00 0.00 H new ATOM 0 HA TYR A 7 3.067 7.378 -1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.680 5.380 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.257 6.083 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.617 6.983 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.580 7.391 1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.665 8.123 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.641 8.552 3.665 1.00 0.00 H new ATOM 0 HH TYR A 7 2.806 9.276 4.689 1.00 0.00 H new ATOM 120 N PRO A 8 4.479 9.462 -2.428 1.00 0.00 N ATOM 121 CA PRO A 8 5.140 10.752 -2.334 1.00 0.00 C ATOM 122 C PRO A 8 5.008 11.300 -0.904 1.00 0.00 C ATOM 123 O PRO A 8 4.124 10.895 -0.145 1.00 0.00 O ATOM 124 CB PRO A 8 4.488 11.640 -3.400 1.00 0.00 C ATOM 125 CG PRO A 8 3.157 10.971 -3.747 1.00 0.00 C ATOM 126 CD PRO A 8 3.229 9.557 -3.171 1.00 0.00 C ATOM 0 HA PRO A 8 6.212 10.699 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.331 12.651 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.124 11.724 -4.281 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.320 11.524 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.004 10.945 -4.826 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.377 9.362 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.197 8.814 -3.968 1.00 0.00 H new ATOM 134 N GLY A 9 5.899 12.231 -0.540 1.00 0.00 N ATOM 135 CA GLY A 9 5.838 12.940 0.741 1.00 0.00 C ATOM 136 C GLY A 9 4.537 13.740 0.913 1.00 0.00 C ATOM 137 O GLY A 9 3.686 13.770 0.023 1.00 0.00 O ATOM 0 H GLY A 9 6.683 12.513 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.928 12.220 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.689 13.617 0.818 1.00 0.00 H new ATOM 141 N GLU A 10 4.388 14.428 2.052 1.00 0.00 N ATOM 142 CA GLU A 10 3.241 15.301 2.365 1.00 0.00 C ATOM 143 C GLU A 10 3.159 16.586 1.496 1.00 0.00 C ATOM 144 O GLU A 10 2.945 17.690 1.991 1.00 0.00 O ATOM 145 CB GLU A 10 3.204 15.601 3.880 1.00 0.00 C ATOM 146 CG GLU A 10 4.486 16.279 4.409 1.00 0.00 C ATOM 147 CD GLU A 10 4.268 17.212 5.619 1.00 0.00 C ATOM 148 OE1 GLU A 10 3.269 17.973 5.635 1.00 0.00 O ATOM 149 OE2 GLU A 10 5.146 17.203 6.510 1.00 0.00 O ATOM 0 H GLU A 10 5.077 14.395 2.803 1.00 0.00 H new ATOM 0 HA GLU A 10 2.340 14.749 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.349 16.243 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.046 14.669 4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.202 15.505 4.688 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.937 16.854 3.600 1.00 0.00 H new ATOM 156 N ASP A 11 3.308 16.437 0.177 1.00 0.00 N ATOM 157 CA ASP A 11 3.328 17.491 -0.833 1.00 0.00 C ATOM 158 C ASP A 11 2.673 16.964 -2.127 1.00 0.00 C ATOM 159 O ASP A 11 3.315 16.772 -3.159 1.00 0.00 O ATOM 160 CB ASP A 11 4.776 17.980 -1.028 1.00 0.00 C ATOM 161 CG ASP A 11 4.815 19.410 -1.577 1.00 0.00 C ATOM 162 OD1 ASP A 11 4.750 19.571 -2.817 1.00 0.00 O ATOM 163 OD2 ASP A 11 4.887 20.338 -0.738 1.00 0.00 O ATOM 0 H ASP A 11 3.426 15.513 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 11 2.746 18.356 -0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.306 17.940 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.298 17.312 -1.713 1.00 0.00 H new ATOM 168 N ALA A 12 1.370 16.667 -2.053 1.00 0.00 N ATOM 169 CA ALA A 12 0.578 16.222 -3.198 1.00 0.00 C ATOM 170 C ALA A 12 -0.826 16.848 -3.176 1.00 0.00 C ATOM 171 O ALA A 12 -1.220 17.485 -2.197 1.00 0.00 O ATOM 172 CB ALA A 12 0.539 14.684 -3.239 1.00 0.00 C ATOM 0 H ALA A 12 0.834 16.730 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 12 1.051 16.565 -4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.053 14.358 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.554 14.297 -3.331 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.088 14.307 -2.321 1.00 0.00 H new ATOM 178 N SER A 13 -1.582 16.664 -4.263 1.00 0.00 N ATOM 179 CA SER A 13 -2.943 17.192 -4.391 1.00 0.00 C ATOM 180 C SER A 13 -3.911 16.533 -3.396 1.00 0.00 C ATOM 181 O SER A 13 -3.702 15.376 -3.020 1.00 0.00 O ATOM 182 CB SER A 13 -3.455 16.991 -5.826 1.00 0.00 C ATOM 183 OG SER A 13 -3.674 18.246 -6.435 1.00 0.00 O ATOM 0 H SER A 13 -1.266 16.143 -5.081 1.00 0.00 H new ATOM 0 HA SER A 13 -2.903 18.257 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.730 16.418 -6.404 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.381 16.415 -5.815 1.00 0.00 H new ATOM 0 HG SER A 13 -3.999 18.113 -7.350 1.00 0.00 H new ATOM 189 N PRO A 14 -5.032 17.201 -3.046 1.00 0.00 N ATOM 190 CA PRO A 14 -6.030 16.652 -2.131 1.00 0.00 C ATOM 191 C PRO A 14 -6.786 15.451 -2.716 1.00 0.00 C ATOM 192 O PRO A 14 -7.457 14.749 -1.962 1.00 0.00 O ATOM 193 CB PRO A 14 -6.965 17.815 -1.785 1.00 0.00 C ATOM 194 CG PRO A 14 -6.821 18.805 -2.941 1.00 0.00 C ATOM 195 CD PRO A 14 -5.483 18.472 -3.600 1.00 0.00 C ATOM 0 HA PRO A 14 -5.551 16.249 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.996 17.475 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.687 18.275 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.643 18.703 -3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.836 19.834 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.594 18.402 -4.682 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.753 19.257 -3.405 1.00 0.00 H new ATOM 203 N GLU A 15 -6.644 15.196 -4.025 1.00 0.00 N ATOM 204 CA GLU A 15 -7.209 14.046 -4.731 1.00 0.00 C ATOM 205 C GLU A 15 -6.161 12.943 -4.888 1.00 0.00 C ATOM 206 O GLU A 15 -6.359 11.860 -4.343 1.00 0.00 O ATOM 207 CB GLU A 15 -7.808 14.487 -6.079 1.00 0.00 C ATOM 208 CG GLU A 15 -9.070 13.685 -6.444 1.00 0.00 C ATOM 209 CD GLU A 15 -8.861 12.775 -7.661 1.00 0.00 C ATOM 210 OE1 GLU A 15 -8.386 11.636 -7.442 1.00 0.00 O ATOM 211 OE2 GLU A 15 -9.181 13.226 -8.785 1.00 0.00 O ATOM 0 H GLU A 15 -6.112 15.811 -4.641 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.023 13.627 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.054 15.548 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.062 14.364 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.370 13.079 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.888 14.376 -6.648 1.00 0.00 H new ATOM 218 N GLU A 16 -5.015 13.236 -5.527 1.00 0.00 N ATOM 219 CA GLU A 16 -3.895 12.299 -5.662 1.00 0.00 C ATOM 220 C GLU A 16 -3.494 11.693 -4.316 1.00 0.00 C ATOM 221 O GLU A 16 -3.360 10.478 -4.239 1.00 0.00 O ATOM 222 CB GLU A 16 -2.688 12.962 -6.359 1.00 0.00 C ATOM 223 CG GLU A 16 -2.584 12.598 -7.848 1.00 0.00 C ATOM 224 CD GLU A 16 -3.891 12.854 -8.599 1.00 0.00 C ATOM 225 OE1 GLU A 16 -4.194 14.044 -8.828 1.00 0.00 O ATOM 226 OE2 GLU A 16 -4.553 11.843 -8.921 1.00 0.00 O ATOM 0 H GLU A 16 -4.842 14.140 -5.967 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.236 11.480 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.767 14.045 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.771 12.661 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.784 13.179 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.311 11.547 -7.945 1.00 0.00 H new ATOM 233 N LEU A 17 -3.355 12.483 -3.241 1.00 0.00 N ATOM 234 CA LEU A 17 -3.037 11.934 -1.917 1.00 0.00 C ATOM 235 C LEU A 17 -4.205 11.108 -1.328 1.00 0.00 C ATOM 236 O LEU A 17 -3.975 10.082 -0.685 1.00 0.00 O ATOM 237 CB LEU A 17 -2.489 13.056 -1.006 1.00 0.00 C ATOM 238 CG LEU A 17 -3.484 13.693 -0.017 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.597 12.830 1.253 1.00 0.00 C ATOM 240 CD2 LEU A 17 -3.100 15.137 0.349 1.00 0.00 C ATOM 0 H LEU A 17 -3.457 13.498 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.236 11.200 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.653 12.652 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.089 13.846 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.454 13.735 -0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.303 13.290 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.948 11.833 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.620 12.754 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.832 15.542 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.113 15.145 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.083 15.749 -0.553 1.00 0.00 H new ATOM 252 N SER A 18 -5.455 11.526 -1.573 1.00 0.00 N ATOM 253 CA SER A 18 -6.668 10.851 -1.090 1.00 0.00 C ATOM 254 C SER A 18 -6.839 9.473 -1.727 1.00 0.00 C ATOM 255 O SER A 18 -6.972 8.470 -1.020 1.00 0.00 O ATOM 256 CB SER A 18 -7.907 11.716 -1.346 1.00 0.00 C ATOM 257 OG SER A 18 -8.106 12.547 -0.223 1.00 0.00 O ATOM 0 H SER A 18 -5.655 12.361 -2.124 1.00 0.00 H new ATOM 0 HA SER A 18 -6.556 10.708 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.771 12.318 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.781 11.087 -1.513 1.00 0.00 H new ATOM 0 HG SER A 18 -7.950 13.481 -0.475 1.00 0.00 H new ATOM 263 N ARG A 19 -6.793 9.406 -3.063 1.00 0.00 N ATOM 264 CA ARG A 19 -6.793 8.143 -3.806 1.00 0.00 C ATOM 265 C ARG A 19 -5.536 7.317 -3.528 1.00 0.00 C ATOM 266 O ARG A 19 -5.631 6.090 -3.481 1.00 0.00 O ATOM 267 CB ARG A 19 -6.996 8.413 -5.307 1.00 0.00 C ATOM 268 CG ARG A 19 -5.803 9.098 -5.987 1.00 0.00 C ATOM 269 CD ARG A 19 -4.741 8.113 -6.518 1.00 0.00 C ATOM 270 NE ARG A 19 -4.066 8.606 -7.726 1.00 0.00 N ATOM 271 CZ ARG A 19 -4.630 8.852 -8.905 1.00 0.00 C ATOM 272 NH1 ARG A 19 -5.918 8.695 -9.115 1.00 0.00 N ATOM 273 NH2 ARG A 19 -3.896 9.266 -9.905 1.00 0.00 N ATOM 0 H ARG A 19 -6.755 10.232 -3.661 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.631 7.539 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.194 7.468 -5.812 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.881 9.036 -5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.168 9.706 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.332 9.777 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.999 7.931 -5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.215 7.156 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.063 8.777 -7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.523 8.374 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.313 8.894 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.893 9.400 -9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.327 9.455 -10.810 1.00 0.00 H new ATOM 287 N TYR A 20 -4.376 7.968 -3.316 1.00 0.00 N ATOM 288 CA TYR A 20 -3.130 7.281 -2.977 1.00 0.00 C ATOM 289 C TYR A 20 -3.341 6.479 -1.718 1.00 0.00 C ATOM 290 O TYR A 20 -3.150 5.273 -1.771 1.00 0.00 O ATOM 291 CB TYR A 20 -1.934 8.223 -2.750 1.00 0.00 C ATOM 292 CG TYR A 20 -0.989 8.408 -3.920 1.00 0.00 C ATOM 293 CD1 TYR A 20 -0.485 7.285 -4.606 1.00 0.00 C ATOM 294 CD2 TYR A 20 -0.543 9.698 -4.268 1.00 0.00 C ATOM 295 CE1 TYR A 20 0.438 7.452 -5.653 1.00 0.00 C ATOM 296 CE2 TYR A 20 0.351 9.874 -5.337 1.00 0.00 C ATOM 297 CZ TYR A 20 0.854 8.750 -6.022 1.00 0.00 C ATOM 298 OH TYR A 20 1.766 8.927 -7.013 1.00 0.00 O ATOM 0 H TYR A 20 -4.284 8.982 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.885 6.654 -3.834 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.320 9.202 -2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.360 7.847 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.809 6.293 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.890 10.555 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.828 6.590 -6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.652 10.868 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 20 1.935 9.885 -7.135 1.00 0.00 H new ATOM 308 N TYR A 21 -3.775 7.131 -0.631 1.00 0.00 N ATOM 309 CA TYR A 21 -4.088 6.473 0.632 1.00 0.00 C ATOM 310 C TYR A 21 -4.915 5.212 0.422 1.00 0.00 C ATOM 311 O TYR A 21 -4.506 4.170 0.908 1.00 0.00 O ATOM 312 CB TYR A 21 -4.805 7.434 1.588 1.00 0.00 C ATOM 313 CG TYR A 21 -3.946 7.879 2.749 1.00 0.00 C ATOM 314 CD1 TYR A 21 -3.604 6.956 3.756 1.00 0.00 C ATOM 315 CD2 TYR A 21 -3.503 9.210 2.829 1.00 0.00 C ATOM 316 CE1 TYR A 21 -2.824 7.370 4.850 1.00 0.00 C ATOM 317 CE2 TYR A 21 -2.713 9.631 3.917 1.00 0.00 C ATOM 318 CZ TYR A 21 -2.370 8.704 4.930 1.00 0.00 C ATOM 319 OH TYR A 21 -1.573 9.065 5.972 1.00 0.00 O ATOM 0 H TYR A 21 -3.918 8.141 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.142 6.176 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.132 8.312 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.701 6.949 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.940 5.932 3.688 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.769 9.913 2.054 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.572 6.667 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.372 10.654 3.978 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.339 10.013 5.892 1.00 0.00 H new ATOM 329 N ALA A 22 -6.023 5.279 -0.326 1.00 0.00 N ATOM 330 CA ALA A 22 -6.849 4.119 -0.664 1.00 0.00 C ATOM 331 C ALA A 22 -6.060 3.009 -1.386 1.00 0.00 C ATOM 332 O ALA A 22 -6.066 1.864 -0.933 1.00 0.00 O ATOM 333 CB ALA A 22 -8.060 4.593 -1.480 1.00 0.00 C ATOM 0 H ALA A 22 -6.374 6.153 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.195 3.660 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.683 3.736 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.642 5.301 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.716 5.079 -2.393 1.00 0.00 H new ATOM 339 N SER A 23 -5.365 3.336 -2.483 1.00 0.00 N ATOM 340 CA SER A 23 -4.534 2.381 -3.236 1.00 0.00 C ATOM 341 C SER A 23 -3.412 1.765 -2.375 1.00 0.00 C ATOM 342 O SER A 23 -3.168 0.559 -2.424 1.00 0.00 O ATOM 343 CB SER A 23 -3.958 3.093 -4.465 1.00 0.00 C ATOM 344 OG SER A 23 -3.368 2.167 -5.352 1.00 0.00 O ATOM 0 H SER A 23 -5.362 4.277 -2.878 1.00 0.00 H new ATOM 0 HA SER A 23 -5.163 1.548 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.749 3.640 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.215 3.826 -4.151 1.00 0.00 H new ATOM 0 HG SER A 23 -3.008 2.643 -6.130 1.00 0.00 H new ATOM 350 N LEU A 24 -2.772 2.580 -1.530 1.00 0.00 N ATOM 351 CA LEU A 24 -1.772 2.172 -0.545 1.00 0.00 C ATOM 352 C LEU A 24 -2.385 1.264 0.531 1.00 0.00 C ATOM 353 O LEU A 24 -1.839 0.210 0.852 1.00 0.00 O ATOM 354 CB LEU A 24 -1.118 3.424 0.089 1.00 0.00 C ATOM 355 CG LEU A 24 0.417 3.409 0.012 1.00 0.00 C ATOM 356 CD1 LEU A 24 0.910 4.102 -1.267 1.00 0.00 C ATOM 357 CD2 LEU A 24 1.005 4.133 1.222 1.00 0.00 C ATOM 0 H LEU A 24 -2.946 3.585 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.001 1.593 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.492 4.316 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.422 3.496 1.133 1.00 0.00 H new ATOM 0 HG LEU A 24 0.743 2.369 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.999 4.078 -1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.511 3.583 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.570 5.138 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.093 4.119 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.656 5.165 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.686 3.632 2.136 1.00 0.00 H new ATOM 369 N ARG A 25 -3.543 1.641 1.084 1.00 0.00 N ATOM 370 CA ARG A 25 -4.269 0.849 2.077 1.00 0.00 C ATOM 371 C ARG A 25 -4.699 -0.490 1.502 1.00 0.00 C ATOM 372 O ARG A 25 -4.647 -1.487 2.216 1.00 0.00 O ATOM 373 CB ARG A 25 -5.505 1.598 2.598 1.00 0.00 C ATOM 374 CG ARG A 25 -5.643 1.438 4.111 1.00 0.00 C ATOM 375 CD ARG A 25 -6.898 2.159 4.630 1.00 0.00 C ATOM 376 NE ARG A 25 -8.157 1.579 4.117 1.00 0.00 N ATOM 377 CZ ARG A 25 -8.611 0.348 4.328 1.00 0.00 C ATOM 378 NH1 ARG A 25 -8.001 -0.488 5.140 1.00 0.00 N ATOM 379 NH2 ARG A 25 -9.685 -0.069 3.707 1.00 0.00 N ATOM 0 H ARG A 25 -4.007 2.518 0.849 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.585 0.678 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.427 2.656 2.346 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.400 1.218 2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.697 0.379 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.758 1.840 4.605 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.906 2.122 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.848 3.210 4.347 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.738 2.187 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.154 -0.198 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.375 -1.427 5.281 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.174 0.551 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.033 -1.014 3.869 1.00 0.00 H new ATOM 393 N HIS A 26 -5.103 -0.529 0.228 1.00 0.00 N ATOM 394 CA HIS A 26 -5.427 -1.778 -0.446 1.00 0.00 C ATOM 395 C HIS A 26 -4.258 -2.756 -0.362 1.00 0.00 C ATOM 396 O HIS A 26 -4.493 -3.872 0.083 1.00 0.00 O ATOM 397 CB HIS A 26 -5.857 -1.553 -1.897 1.00 0.00 C ATOM 398 CG HIS A 26 -6.208 -2.837 -2.613 1.00 0.00 C ATOM 399 ND1 HIS A 26 -6.516 -4.052 -2.035 1.00 0.00 N ATOM 400 CD2 HIS A 26 -6.220 -3.016 -3.968 1.00 0.00 C ATOM 401 CE1 HIS A 26 -6.728 -4.934 -3.027 1.00 0.00 C ATOM 402 NE2 HIS A 26 -6.554 -4.347 -4.221 1.00 0.00 N ATOM 0 H HIS A 26 -5.212 0.300 -0.356 1.00 0.00 H new ATOM 0 HA HIS A 26 -6.279 -2.217 0.073 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -6.718 -0.885 -1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -5.053 -1.051 -2.435 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -6.573 -4.246 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -6.009 -2.261 -4.711 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.000 -5.969 -2.883 1.00 0.00 H new ATOM 410 N TYR A 27 -3.028 -2.335 -0.703 1.00 0.00 N ATOM 411 CA TYR A 27 -1.793 -3.108 -0.497 1.00 0.00 C ATOM 412 C TYR A 27 -1.728 -3.702 0.915 1.00 0.00 C ATOM 413 O TYR A 27 -1.496 -4.905 1.071 1.00 0.00 O ATOM 414 CB TYR A 27 -0.547 -2.245 -0.814 1.00 0.00 C ATOM 415 CG TYR A 27 0.584 -2.301 0.212 1.00 0.00 C ATOM 416 CD1 TYR A 27 1.182 -3.534 0.546 1.00 0.00 C ATOM 417 CD2 TYR A 27 0.988 -1.134 0.892 1.00 0.00 C ATOM 418 CE1 TYR A 27 2.134 -3.607 1.576 1.00 0.00 C ATOM 419 CE2 TYR A 27 1.953 -1.198 1.916 1.00 0.00 C ATOM 420 CZ TYR A 27 2.526 -2.442 2.260 1.00 0.00 C ATOM 421 OH TYR A 27 3.476 -2.524 3.231 1.00 0.00 O ATOM 0 H TYR A 27 -2.862 -1.428 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.802 -3.947 -1.193 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.150 -2.556 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.865 -1.208 -0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.906 -4.428 0.006 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.553 -0.182 0.625 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.566 -4.560 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 27 2.253 -0.300 2.436 1.00 0.00 H new ATOM 0 HH TYR A 27 3.637 -1.634 3.607 1.00 0.00 H new ATOM 431 N LEU A 28 -1.923 -2.862 1.939 1.00 0.00 N ATOM 432 CA LEU A 28 -1.920 -3.315 3.324 1.00 0.00 C ATOM 433 C LEU A 28 -3.011 -4.371 3.525 1.00 0.00 C ATOM 434 O LEU A 28 -2.702 -5.465 3.967 1.00 0.00 O ATOM 435 CB LEU A 28 -1.953 -2.114 4.298 1.00 0.00 C ATOM 436 CG LEU A 28 -3.209 -1.912 5.176 1.00 0.00 C ATOM 437 CD1 LEU A 28 -3.399 -3.015 6.233 1.00 0.00 C ATOM 438 CD2 LEU A 28 -3.136 -0.551 5.867 1.00 0.00 C ATOM 0 H LEU A 28 -2.085 -1.861 1.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.985 -3.821 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.094 -2.203 4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.809 -1.207 3.711 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.070 -1.963 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.299 -2.811 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.498 -3.981 5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.535 -3.035 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.022 -0.409 6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.245 -0.508 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.089 0.237 5.115 1.00 0.00 H new ATOM 450 N ASN A 29 -4.266 -4.095 3.160 1.00 0.00 N ATOM 451 CA ASN A 29 -5.385 -5.030 3.324 1.00 0.00 C ATOM 452 C ASN A 29 -5.264 -6.295 2.444 1.00 0.00 C ATOM 453 O ASN A 29 -5.940 -7.287 2.715 1.00 0.00 O ATOM 454 CB ASN A 29 -6.711 -4.269 3.100 1.00 0.00 C ATOM 455 CG ASN A 29 -7.513 -4.143 4.389 1.00 0.00 C ATOM 456 OD1 ASN A 29 -8.551 -4.749 4.576 1.00 0.00 O ATOM 457 ND2 ASN A 29 -7.052 -3.358 5.344 1.00 0.00 N ATOM 0 H ASN A 29 -4.538 -3.207 2.738 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.364 -5.414 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.498 -3.276 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.307 -4.789 2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.564 -3.267 6.221 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.183 -2.842 5.205 1.00 0.00 H new ATOM 464 N LEU A 30 -4.384 -6.266 1.431 1.00 0.00 N ATOM 465 CA LEU A 30 -4.098 -7.330 0.475 1.00 0.00 C ATOM 466 C LEU A 30 -3.449 -8.524 1.176 1.00 0.00 C ATOM 467 O LEU A 30 -4.086 -9.559 1.357 1.00 0.00 O ATOM 468 CB LEU A 30 -3.217 -6.778 -0.681 1.00 0.00 C ATOM 469 CG LEU A 30 -3.787 -7.051 -2.074 1.00 0.00 C ATOM 470 CD1 LEU A 30 -2.985 -6.255 -3.112 1.00 0.00 C ATOM 471 CD2 LEU A 30 -3.761 -8.543 -2.418 1.00 0.00 C ATOM 0 H LEU A 30 -3.817 -5.437 1.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.032 -7.687 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.096 -5.702 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.223 -7.221 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.830 -6.734 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.387 -6.446 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.057 -5.190 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.940 -6.562 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.174 -8.694 -3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.733 -8.904 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.357 -9.094 -1.691 1.00 0.00 H new ATOM 483 N VAL A 31 -2.176 -8.378 1.563 1.00 0.00 N ATOM 484 CA VAL A 31 -1.408 -9.432 2.231 1.00 0.00 C ATOM 485 C VAL A 31 -1.381 -9.215 3.746 1.00 0.00 C ATOM 486 O VAL A 31 -1.287 -10.200 4.475 1.00 0.00 O ATOM 487 CB VAL A 31 -0.001 -9.559 1.598 1.00 0.00 C ATOM 488 CG1 VAL A 31 0.957 -10.440 2.410 1.00 0.00 C ATOM 489 CG2 VAL A 31 -0.097 -10.176 0.194 1.00 0.00 C ATOM 0 H VAL A 31 -1.647 -7.518 1.420 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.903 -10.391 2.077 1.00 0.00 H new ATOM 0 HB VAL A 31 0.393 -8.543 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.924 -10.485 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.084 -10.017 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.545 -11.446 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.901 -10.258 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.545 -11.167 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.715 -9.541 -0.441 1.00 0.00 H new ATOM 499 N THR A 32 -1.497 -7.960 4.224 1.00 0.00 N ATOM 500 CA THR A 32 -1.501 -7.523 5.643 1.00 0.00 C ATOM 501 C THR A 32 -0.352 -8.118 6.481 1.00 0.00 C ATOM 502 O THR A 32 -0.388 -8.243 7.705 1.00 0.00 O ATOM 503 CB THR A 32 -2.931 -7.614 6.224 1.00 0.00 C ATOM 504 OG1 THR A 32 -3.007 -7.079 7.522 1.00 0.00 O ATOM 505 CG2 THR A 32 -3.539 -9.015 6.213 1.00 0.00 C ATOM 0 H THR A 32 -1.597 -7.168 3.590 1.00 0.00 H new ATOM 0 HA THR A 32 -1.248 -6.464 5.695 1.00 0.00 H new ATOM 0 HB THR A 32 -3.528 -7.010 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.202 -7.324 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.542 -8.980 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.593 -9.380 5.187 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.917 -9.686 6.805 1.00 0.00 H new ATOM 513 N ARG A 33 0.711 -8.508 5.768 1.00 0.00 N ATOM 514 CA ARG A 33 1.836 -9.298 6.264 1.00 0.00 C ATOM 515 C ARG A 33 3.015 -9.311 5.284 1.00 0.00 C ATOM 516 O ARG A 33 3.813 -10.245 5.281 1.00 0.00 O ATOM 517 CB ARG A 33 1.317 -10.723 6.566 1.00 0.00 C ATOM 518 CG ARG A 33 1.763 -11.231 7.948 1.00 0.00 C ATOM 519 CD ARG A 33 0.583 -11.816 8.739 1.00 0.00 C ATOM 520 NE ARG A 33 0.019 -10.831 9.683 1.00 0.00 N ATOM 521 CZ ARG A 33 -1.118 -10.940 10.355 1.00 0.00 C ATOM 522 NH1 ARG A 33 -1.950 -11.937 10.152 1.00 0.00 N ATOM 523 NH2 ARG A 33 -1.435 -10.045 11.261 1.00 0.00 N ATOM 0 H ARG A 33 0.812 -8.268 4.782 1.00 0.00 H new ATOM 0 HA ARG A 33 2.227 -8.845 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 33 0.228 -10.728 6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.676 -11.408 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.534 -11.992 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.210 -10.412 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.193 -12.143 8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.914 -12.698 9.287 1.00 0.00 H new ATOM 0 HE ARG A 33 0.560 -9.979 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.728 -12.654 9.461 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.818 -11.994 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.806 -9.264 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.310 -10.130 11.777 1.00 0.00 H new ATOM 537 N GLN A 34 3.080 -8.306 4.400 1.00 0.00 N ATOM 538 CA GLN A 34 4.169 -8.151 3.435 1.00 0.00 C ATOM 539 C GLN A 34 5.499 -8.014 4.187 1.00 0.00 C ATOM 540 O GLN A 34 5.516 -7.614 5.350 1.00 0.00 O ATOM 541 CB GLN A 34 3.887 -6.932 2.530 1.00 0.00 C ATOM 542 CG GLN A 34 3.949 -7.239 1.025 1.00 0.00 C ATOM 543 CD GLN A 34 5.336 -7.052 0.414 1.00 0.00 C ATOM 544 OE1 GLN A 34 6.301 -7.691 0.806 1.00 0.00 O ATOM 545 NE2 GLN A 34 5.482 -6.186 -0.574 1.00 0.00 N ATOM 0 H GLN A 34 2.372 -7.575 4.337 1.00 0.00 H new ATOM 0 HA GLN A 34 4.237 -9.030 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.900 -6.537 2.769 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.608 -6.148 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.625 -8.267 0.860 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.242 -6.594 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.680 -5.650 -0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.397 -6.054 -1.005 1.00 0.00 H new ATOM 554 N ARG A 35 6.609 -8.299 3.497 1.00 0.00 N ATOM 555 CA ARG A 35 7.958 -8.338 4.065 1.00 0.00 C ATOM 556 C ARG A 35 8.101 -9.398 5.173 1.00 0.00 C ATOM 557 O ARG A 35 7.946 -9.133 6.364 1.00 0.00 O ATOM 558 CB ARG A 35 8.365 -6.921 4.526 1.00 0.00 C ATOM 559 CG ARG A 35 9.715 -6.507 3.949 1.00 0.00 C ATOM 560 CD ARG A 35 9.543 -5.974 2.520 1.00 0.00 C ATOM 561 NE ARG A 35 10.814 -5.431 2.009 1.00 0.00 N ATOM 562 CZ ARG A 35 11.348 -4.257 2.327 1.00 0.00 C ATOM 563 NH1 ARG A 35 10.725 -3.411 3.117 1.00 0.00 N ATOM 564 NH2 ARG A 35 12.528 -3.923 1.859 1.00 0.00 N ATOM 0 H ARG A 35 6.591 -8.515 2.500 1.00 0.00 H new ATOM 0 HA ARG A 35 8.655 -8.653 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.603 -6.205 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.410 -6.891 5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.167 -5.741 4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.394 -7.360 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.196 -6.775 1.867 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.778 -5.197 2.506 1.00 0.00 H new ATOM 0 HE ARG A 35 11.332 -6.011 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.811 -3.650 3.501 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.156 -2.515 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.036 -4.565 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.937 -3.021 2.104 1.00 0.00 H new ATOM 578 N TYR A 36 8.433 -10.622 4.763 1.00 0.00 N ATOM 579 CA TYR A 36 8.675 -11.727 5.688 1.00 0.00 C ATOM 580 C TYR A 36 10.046 -11.598 6.367 1.00 0.00 C ATOM 581 O TYR A 36 11.074 -11.459 5.717 1.00 0.00 O ATOM 582 CB TYR A 36 8.549 -13.069 4.946 1.00 0.00 C ATOM 583 CG TYR A 36 7.370 -13.901 5.411 1.00 0.00 C ATOM 584 CD1 TYR A 36 7.392 -14.492 6.690 1.00 0.00 C ATOM 585 CD2 TYR A 36 6.258 -14.097 4.566 1.00 0.00 C ATOM 586 CE1 TYR A 36 6.327 -15.309 7.113 1.00 0.00 C ATOM 587 CE2 TYR A 36 5.190 -14.914 4.984 1.00 0.00 C ATOM 588 CZ TYR A 36 5.231 -15.536 6.251 1.00 0.00 C ATOM 589 OH TYR A 36 4.244 -16.401 6.614 1.00 0.00 O ATOM 0 H TYR A 36 8.541 -10.875 3.781 1.00 0.00 H new ATOM 0 HA TYR A 36 7.921 -11.690 6.474 1.00 0.00 H new ATOM 0 HB2 TYR A 36 8.451 -12.878 3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 36 9.466 -13.641 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.230 -14.317 7.349 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.226 -13.620 3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 36 6.348 -15.761 8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.340 -15.065 4.336 1.00 0.00 H new ATOM 0 HH TYR A 36 3.566 -16.439 5.907 1.00 0.00 H new HETATM 599 N NH2 A 37 10.100 -11.672 7.684 1.00 0.00 N TER 602 NH2 A 37