USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 441 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0346 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -160:sc= -10.2! (180deg=-11.2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-3.9!) USER MOD Single : A 18 LYS NZ :NH3+ -118:sc= -1.45! (180deg=-3.06!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.0808 USER MOD Single : A 25 THR OG1 : rot -120:sc= -0.612 USER MOD Single : A 30 THR OG1 : rot 40:sc= 0.389 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 138:sc= -4.1! (180deg=-7.43!) USER MOD Single : A 35 LYS NZ :NH3+ -107:sc= 0.0681 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.4! C(o=-1.4!,f=-1.4!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -1.51 K(o=-1.5,f=-9.4!) USER MOD Single : A 55 GLN : amide:sc= -1.85! K(o=-1.9!,f=-0.71) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -26:sc= 0.228 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -50:sc= 0.785 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.350 -4.057 -14.668 1.00 0.00 N ATOM 2 CA GLY A 1 21.168 -4.389 -13.896 1.00 0.00 C ATOM 3 C GLY A 1 21.460 -4.518 -12.414 1.00 0.00 C ATOM 4 O GLY A 1 22.602 -4.754 -12.018 1.00 0.00 O ATOM 0 H1 GLY A 1 22.280 -3.076 -15.006 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.195 -4.157 -14.070 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.424 -4.699 -15.482 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.411 -3.620 -14.048 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.749 -5.326 -14.263 1.00 0.00 H new ATOM 8 N SER A 2 20.427 -4.360 -11.592 1.00 0.00 N ATOM 9 CA SER A 2 20.580 -4.454 -10.145 1.00 0.00 C ATOM 10 C SER A 2 19.874 -5.694 -9.604 1.00 0.00 C ATOM 11 O SER A 2 20.492 -6.544 -8.964 1.00 0.00 O ATOM 12 CB SER A 2 20.023 -3.200 -9.469 1.00 0.00 C ATOM 13 OG SER A 2 20.322 -3.192 -8.084 1.00 0.00 O ATOM 0 H SER A 2 19.475 -4.166 -11.904 1.00 0.00 H new ATOM 0 HA SER A 2 21.644 -4.536 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.444 -2.312 -9.940 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.943 -3.155 -9.611 1.00 0.00 H new ATOM 0 HG SER A 2 19.957 -2.380 -7.675 1.00 0.00 H new ATOM 19 N SER A 3 18.574 -5.788 -9.866 1.00 0.00 N ATOM 20 CA SER A 3 17.781 -6.920 -9.403 1.00 0.00 C ATOM 21 C SER A 3 18.510 -8.235 -9.659 1.00 0.00 C ATOM 22 O SER A 3 19.077 -8.445 -10.731 1.00 0.00 O ATOM 23 CB SER A 3 16.419 -6.935 -10.099 1.00 0.00 C ATOM 24 OG SER A 3 15.602 -7.979 -9.599 1.00 0.00 O ATOM 0 H SER A 3 18.048 -5.094 -10.397 1.00 0.00 H new ATOM 0 HA SER A 3 17.631 -6.811 -8.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.921 -5.977 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.557 -7.060 -11.173 1.00 0.00 H new ATOM 0 HG SER A 3 14.737 -7.966 -10.059 1.00 0.00 H new ATOM 30 N GLY A 4 18.491 -9.119 -8.666 1.00 0.00 N ATOM 31 CA GLY A 4 19.153 -10.403 -8.802 1.00 0.00 C ATOM 32 C GLY A 4 18.354 -11.536 -8.190 1.00 0.00 C ATOM 33 O GLY A 4 17.289 -11.895 -8.692 1.00 0.00 O ATOM 0 H GLY A 4 18.029 -8.968 -7.769 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.322 -10.611 -9.859 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.133 -10.355 -8.326 1.00 0.00 H new ATOM 37 N SER A 5 18.869 -12.103 -7.104 1.00 0.00 N ATOM 38 CA SER A 5 18.199 -13.206 -6.425 1.00 0.00 C ATOM 39 C SER A 5 17.564 -12.735 -5.120 1.00 0.00 C ATOM 40 O SER A 5 16.404 -13.036 -4.838 1.00 0.00 O ATOM 41 CB SER A 5 19.190 -14.337 -6.145 1.00 0.00 C ATOM 42 OG SER A 5 20.264 -13.886 -5.339 1.00 0.00 O ATOM 0 H SER A 5 19.749 -11.817 -6.675 1.00 0.00 H new ATOM 0 HA SER A 5 17.410 -13.578 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.677 -15.159 -5.646 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.577 -14.727 -7.086 1.00 0.00 H new ATOM 0 HG SER A 5 20.882 -14.628 -5.173 1.00 0.00 H new ATOM 48 N SER A 6 18.333 -11.995 -4.328 1.00 0.00 N ATOM 49 CA SER A 6 17.848 -11.486 -3.051 1.00 0.00 C ATOM 50 C SER A 6 17.515 -10.000 -3.150 1.00 0.00 C ATOM 51 O SER A 6 18.074 -9.281 -3.976 1.00 0.00 O ATOM 52 CB SER A 6 18.893 -11.714 -1.957 1.00 0.00 C ATOM 53 OG SER A 6 20.019 -10.873 -2.143 1.00 0.00 O ATOM 0 H SER A 6 19.294 -11.735 -4.548 1.00 0.00 H new ATOM 0 HA SER A 6 16.938 -12.028 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.449 -11.522 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.209 -12.757 -1.964 1.00 0.00 H new ATOM 0 HG SER A 6 20.671 -11.037 -1.430 1.00 0.00 H new ATOM 59 N GLY A 7 16.599 -9.548 -2.299 1.00 0.00 N ATOM 60 CA GLY A 7 16.206 -8.151 -2.306 1.00 0.00 C ATOM 61 C GLY A 7 14.828 -7.933 -1.714 1.00 0.00 C ATOM 62 O GLY A 7 13.826 -7.954 -2.430 1.00 0.00 O ATOM 0 H GLY A 7 16.122 -10.124 -1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.936 -7.569 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.221 -7.778 -3.330 1.00 0.00 H new ATOM 66 N HIS A 8 14.775 -7.725 -0.402 1.00 0.00 N ATOM 67 CA HIS A 8 13.509 -7.503 0.287 1.00 0.00 C ATOM 68 C HIS A 8 13.094 -6.038 0.204 1.00 0.00 C ATOM 69 O HIS A 8 13.920 -5.128 0.280 1.00 0.00 O ATOM 70 CB HIS A 8 13.618 -7.933 1.750 1.00 0.00 C ATOM 71 CG HIS A 8 13.662 -9.418 1.937 1.00 0.00 C ATOM 72 ND1 HIS A 8 14.729 -10.073 2.514 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.760 -10.377 1.621 1.00 0.00 C ATOM 74 CE1 HIS A 8 14.484 -11.370 2.543 1.00 0.00 C ATOM 75 NE2 HIS A 8 13.295 -11.581 2.008 1.00 0.00 N ATOM 0 H HIS A 8 15.594 -7.706 0.205 1.00 0.00 H new ATOM 0 HA HIS A 8 12.746 -8.106 -0.205 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.517 -7.494 2.183 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.769 -7.531 2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.799 -10.224 1.152 1.00 0.00 H new ATOM 0 HE1 HIS A 8 15.143 -12.129 2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.847 -12.491 1.900 1.00 0.00 H new ATOM 83 N PRO A 9 11.783 -5.801 0.043 1.00 0.00 N ATOM 84 CA PRO A 9 11.230 -4.447 -0.054 1.00 0.00 C ATOM 85 C PRO A 9 11.303 -3.694 1.270 1.00 0.00 C ATOM 86 O PRO A 9 10.921 -4.220 2.315 1.00 0.00 O ATOM 87 CB PRO A 9 9.771 -4.688 -0.453 1.00 0.00 C ATOM 88 CG PRO A 9 9.462 -6.055 0.053 1.00 0.00 C ATOM 89 CD PRO A 9 10.741 -6.837 -0.056 1.00 0.00 C ATOM 0 HA PRO A 9 11.784 -3.830 -0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.111 -3.943 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.640 -4.627 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 9.113 -6.019 1.085 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.670 -6.519 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.830 -7.575 0.742 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.802 -7.379 -1.000 1.00 0.00 H new ATOM 97 N MET A 10 11.795 -2.461 1.217 1.00 0.00 N ATOM 98 CA MET A 10 11.916 -1.636 2.414 1.00 0.00 C ATOM 99 C MET A 10 11.480 -0.201 2.131 1.00 0.00 C ATOM 100 O MET A 10 11.620 0.291 1.011 1.00 0.00 O ATOM 101 CB MET A 10 13.357 -1.652 2.927 1.00 0.00 C ATOM 102 CG MET A 10 13.876 -3.046 3.238 1.00 0.00 C ATOM 103 SD MET A 10 15.050 -3.061 4.606 1.00 0.00 S ATOM 104 CE MET A 10 13.970 -2.676 5.983 1.00 0.00 C ATOM 0 H MET A 10 12.116 -2.011 0.360 1.00 0.00 H new ATOM 0 HA MET A 10 11.261 -2.052 3.180 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.004 -1.190 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 10 13.420 -1.040 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 10 13.036 -3.697 3.479 1.00 0.00 H new ATOM 0 HG3 MET A 10 14.354 -3.458 2.349 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.564 -2.303 6.818 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.251 -1.915 5.680 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.437 -3.576 6.290 1.00 0.00 H new ATOM 114 N CYS A 11 10.952 0.464 3.153 1.00 0.00 N ATOM 115 CA CYS A 11 10.495 1.841 3.014 1.00 0.00 C ATOM 116 C CYS A 11 11.669 2.780 2.748 1.00 0.00 C ATOM 117 O CYS A 11 12.795 2.518 3.169 1.00 0.00 O ATOM 118 CB CYS A 11 9.751 2.283 4.276 1.00 0.00 C ATOM 119 SG CYS A 11 8.762 3.798 4.064 1.00 0.00 S ATOM 0 H CYS A 11 10.830 0.071 4.086 1.00 0.00 H new ATOM 0 HA CYS A 11 9.815 1.888 2.163 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.094 1.475 4.599 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.475 2.444 5.074 1.00 0.00 H new ATOM 124 N LYS A 12 11.396 3.875 2.047 1.00 0.00 N ATOM 125 CA LYS A 12 12.427 4.854 1.725 1.00 0.00 C ATOM 126 C LYS A 12 12.448 5.980 2.753 1.00 0.00 C ATOM 127 O LYS A 12 13.505 6.342 3.269 1.00 0.00 O ATOM 128 CB LYS A 12 12.194 5.430 0.326 1.00 0.00 C ATOM 129 CG LYS A 12 10.863 6.146 0.177 1.00 0.00 C ATOM 130 CD LYS A 12 10.402 6.172 -1.270 1.00 0.00 C ATOM 131 CE LYS A 12 10.912 7.408 -1.996 1.00 0.00 C ATOM 132 NZ LYS A 12 10.585 7.373 -3.448 1.00 0.00 N ATOM 0 H LYS A 12 10.469 4.107 1.691 1.00 0.00 H new ATOM 0 HA LYS A 12 13.392 4.348 1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.999 6.125 0.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.246 4.622 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.111 5.649 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.954 7.166 0.549 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.755 5.277 -1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.313 6.151 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.474 8.299 -1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.992 7.484 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.949 8.232 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.024 6.536 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.553 7.326 -3.570 1.00 0.00 H new ATOM 146 N GLU A 13 11.273 6.530 3.045 1.00 0.00 N ATOM 147 CA GLU A 13 11.158 7.615 4.012 1.00 0.00 C ATOM 148 C GLU A 13 11.920 7.286 5.293 1.00 0.00 C ATOM 149 O GLU A 13 12.632 8.129 5.839 1.00 0.00 O ATOM 150 CB GLU A 13 9.687 7.886 4.337 1.00 0.00 C ATOM 151 CG GLU A 13 9.486 8.891 5.457 1.00 0.00 C ATOM 152 CD GLU A 13 8.131 9.570 5.396 1.00 0.00 C ATOM 153 OE1 GLU A 13 7.841 10.223 4.372 1.00 0.00 O ATOM 154 OE2 GLU A 13 7.361 9.448 6.371 1.00 0.00 O ATOM 0 H GLU A 13 10.389 6.242 2.626 1.00 0.00 H new ATOM 0 HA GLU A 13 11.596 8.509 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.187 8.250 3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.206 6.947 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.592 8.386 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.270 9.647 5.407 1.00 0.00 H new ATOM 161 N HIS A 14 11.765 6.054 5.766 1.00 0.00 N ATOM 162 CA HIS A 14 12.438 5.612 6.983 1.00 0.00 C ATOM 163 C HIS A 14 13.904 5.288 6.706 1.00 0.00 C ATOM 164 O HIS A 14 14.351 5.329 5.560 1.00 0.00 O ATOM 165 CB HIS A 14 11.734 4.385 7.564 1.00 0.00 C ATOM 166 CG HIS A 14 10.445 4.706 8.254 1.00 0.00 C ATOM 167 ND1 HIS A 14 9.428 5.420 7.656 1.00 0.00 N ATOM 168 CD2 HIS A 14 10.008 4.404 9.499 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.423 5.545 8.504 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.749 4.937 9.630 1.00 0.00 N ATOM 0 H HIS A 14 11.180 5.344 5.326 1.00 0.00 H new ATOM 0 HA HIS A 14 12.394 6.424 7.708 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.540 3.674 6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 14 12.402 3.893 8.271 1.00 0.00 H new ATOM 0 HD1 HIS A 14 9.449 5.793 6.707 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.549 3.847 10.250 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.492 6.058 8.309 1.00 0.00 H new ATOM 178 N GLU A 15 14.644 4.969 7.762 1.00 0.00 N ATOM 179 CA GLU A 15 16.059 4.640 7.632 1.00 0.00 C ATOM 180 C GLU A 15 16.262 3.130 7.561 1.00 0.00 C ATOM 181 O GLU A 15 16.834 2.527 8.470 1.00 0.00 O ATOM 182 CB GLU A 15 16.850 5.218 8.807 1.00 0.00 C ATOM 183 CG GLU A 15 16.334 4.775 10.165 1.00 0.00 C ATOM 184 CD GLU A 15 17.431 4.692 11.208 1.00 0.00 C ATOM 185 OE1 GLU A 15 18.293 3.797 11.094 1.00 0.00 O ATOM 186 OE2 GLU A 15 17.428 5.525 12.139 1.00 0.00 O ATOM 0 H GLU A 15 14.288 4.931 8.717 1.00 0.00 H new ATOM 0 HA GLU A 15 16.425 5.082 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.895 4.923 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.820 6.306 8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.568 5.473 10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.856 3.800 10.067 1.00 0.00 H new ATOM 193 N ASP A 16 15.790 2.525 6.477 1.00 0.00 N ATOM 194 CA ASP A 16 15.920 1.085 6.286 1.00 0.00 C ATOM 195 C ASP A 16 14.977 0.327 7.214 1.00 0.00 C ATOM 196 O ASP A 16 15.405 -0.537 7.979 1.00 0.00 O ATOM 197 CB ASP A 16 17.364 0.645 6.535 1.00 0.00 C ATOM 198 CG ASP A 16 17.694 -0.669 5.853 1.00 0.00 C ATOM 199 OD1 ASP A 16 17.935 -0.658 4.628 1.00 0.00 O ATOM 200 OD2 ASP A 16 17.711 -1.708 6.546 1.00 0.00 O ATOM 0 H ASP A 16 15.313 3.010 5.716 1.00 0.00 H new ATOM 0 HA ASP A 16 15.650 0.854 5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 16 18.043 1.418 6.176 1.00 0.00 H new ATOM 0 HB3 ASP A 16 17.531 0.547 7.608 1.00 0.00 H new ATOM 205 N GLU A 17 13.691 0.657 7.142 1.00 0.00 N ATOM 206 CA GLU A 17 12.688 0.008 7.977 1.00 0.00 C ATOM 207 C GLU A 17 11.839 -0.958 7.157 1.00 0.00 C ATOM 208 O GLU A 17 11.224 -0.572 6.162 1.00 0.00 O ATOM 209 CB GLU A 17 11.791 1.054 8.642 1.00 0.00 C ATOM 210 CG GLU A 17 10.974 0.508 9.801 1.00 0.00 C ATOM 211 CD GLU A 17 11.828 0.164 11.006 1.00 0.00 C ATOM 212 OE1 GLU A 17 12.741 0.953 11.329 1.00 0.00 O ATOM 213 OE2 GLU A 17 11.584 -0.892 11.625 1.00 0.00 O ATOM 0 H GLU A 17 13.320 1.370 6.514 1.00 0.00 H new ATOM 0 HA GLU A 17 13.208 -0.559 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.410 1.876 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.114 1.468 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.224 1.244 10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.437 -0.383 9.474 1.00 0.00 H new ATOM 220 N LYS A 18 11.809 -2.217 7.580 1.00 0.00 N ATOM 221 CA LYS A 18 11.036 -3.241 6.887 1.00 0.00 C ATOM 222 C LYS A 18 9.603 -2.774 6.652 1.00 0.00 C ATOM 223 O LYS A 18 9.105 -1.892 7.352 1.00 0.00 O ATOM 224 CB LYS A 18 11.034 -4.541 7.693 1.00 0.00 C ATOM 225 CG LYS A 18 10.309 -4.431 9.023 1.00 0.00 C ATOM 226 CD LYS A 18 11.273 -4.147 10.163 1.00 0.00 C ATOM 227 CE LYS A 18 12.355 -5.212 10.255 1.00 0.00 C ATOM 228 NZ LYS A 18 13.598 -4.804 9.544 1.00 0.00 N ATOM 0 H LYS A 18 12.312 -2.553 8.401 1.00 0.00 H new ATOM 0 HA LYS A 18 11.504 -3.422 5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.568 -5.327 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.064 -4.848 7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.565 -3.636 8.968 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.771 -5.358 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.734 -3.170 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.724 -4.103 11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.584 -5.408 11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.983 -6.145 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.790 -5.471 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.477 -3.847 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.397 -4.809 10.210 1.00 0.00 H new ATOM 242 N ILE A 19 8.946 -3.371 5.663 1.00 0.00 N ATOM 243 CA ILE A 19 7.569 -3.017 5.339 1.00 0.00 C ATOM 244 C ILE A 19 6.582 -3.897 6.099 1.00 0.00 C ATOM 245 O ILE A 19 6.373 -5.057 5.749 1.00 0.00 O ATOM 246 CB ILE A 19 7.297 -3.145 3.829 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.284 -2.288 3.035 1.00 0.00 C ATOM 248 CG2 ILE A 19 5.864 -2.742 3.513 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.159 -0.806 3.315 1.00 0.00 C ATOM 0 H ILE A 19 9.344 -4.101 5.073 1.00 0.00 H new ATOM 0 HA ILE A 19 7.430 -1.978 5.638 1.00 0.00 H new ATOM 0 HB ILE A 19 7.434 -4.186 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.300 -2.609 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.130 -2.463 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.687 -2.838 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.176 -3.391 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.702 -1.708 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.889 -0.260 2.718 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.155 -0.470 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.343 -0.619 4.373 1.00 0.00 H new ATOM 261 N ASN A 20 5.976 -3.334 7.139 1.00 0.00 N ATOM 262 CA ASN A 20 5.009 -4.066 7.949 1.00 0.00 C ATOM 263 C ASN A 20 3.730 -4.331 7.160 1.00 0.00 C ATOM 264 O ASN A 20 3.326 -5.481 6.983 1.00 0.00 O ATOM 265 CB ASN A 20 4.683 -3.285 9.223 1.00 0.00 C ATOM 266 CG ASN A 20 5.882 -3.152 10.142 1.00 0.00 C ATOM 267 OD1 ASN A 20 6.844 -3.913 10.040 1.00 0.00 O ATOM 268 ND2 ASN A 20 5.829 -2.182 11.048 1.00 0.00 N ATOM 0 H ASN A 20 6.137 -2.373 7.441 1.00 0.00 H new ATOM 0 HA ASN A 20 5.452 -5.024 8.222 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.322 -2.292 8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.874 -3.785 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.606 -2.045 11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.011 -1.574 11.097 1.00 0.00 H new ATOM 275 N ILE A 21 3.099 -3.261 6.690 1.00 0.00 N ATOM 276 CA ILE A 21 1.867 -3.379 5.919 1.00 0.00 C ATOM 277 C ILE A 21 2.081 -2.946 4.472 1.00 0.00 C ATOM 278 O ILE A 21 3.097 -2.336 4.139 1.00 0.00 O ATOM 279 CB ILE A 21 0.736 -2.534 6.534 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.252 -1.143 6.906 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.157 -3.234 7.755 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.180 -0.226 7.451 1.00 0.00 C ATOM 0 H ILE A 21 3.420 -2.303 6.829 1.00 0.00 H new ATOM 0 HA ILE A 21 1.579 -4.430 5.943 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.056 -2.420 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.043 -1.245 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.699 -0.683 6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.641 -2.625 8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.244 -4.205 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.941 -3.375 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.618 0.742 7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.601 -0.094 6.702 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.251 -0.665 8.351 1.00 0.00 H new ATOM 294 N TYR A 22 1.115 -3.264 3.617 1.00 0.00 N ATOM 295 CA TYR A 22 1.197 -2.908 2.206 1.00 0.00 C ATOM 296 C TYR A 22 0.068 -1.959 1.816 1.00 0.00 C ATOM 297 O TYR A 22 -1.084 -2.153 2.205 1.00 0.00 O ATOM 298 CB TYR A 22 1.143 -4.166 1.337 1.00 0.00 C ATOM 299 CG TYR A 22 0.971 -3.878 -0.137 1.00 0.00 C ATOM 300 CD1 TYR A 22 -0.295 -3.764 -0.699 1.00 0.00 C ATOM 301 CD2 TYR A 22 2.073 -3.721 -0.968 1.00 0.00 C ATOM 302 CE1 TYR A 22 -0.457 -3.501 -2.046 1.00 0.00 C ATOM 303 CE2 TYR A 22 1.920 -3.456 -2.315 1.00 0.00 C ATOM 304 CZ TYR A 22 0.653 -3.347 -2.849 1.00 0.00 C ATOM 305 OH TYR A 22 0.497 -3.085 -4.191 1.00 0.00 O ATOM 0 H TYR A 22 0.267 -3.767 3.877 1.00 0.00 H new ATOM 0 HA TYR A 22 2.147 -2.400 2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.060 -4.737 1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.319 -4.795 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.167 -3.883 -0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.067 -3.808 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.448 -3.417 -2.467 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.788 -3.335 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 22 1.378 -3.004 -4.613 1.00 0.00 H new ATOM 315 N CYS A 23 0.407 -0.932 1.045 1.00 0.00 N ATOM 316 CA CYS A 23 -0.576 0.049 0.601 1.00 0.00 C ATOM 317 C CYS A 23 -1.261 -0.410 -0.683 1.00 0.00 C ATOM 318 O CYS A 23 -0.613 -0.925 -1.596 1.00 0.00 O ATOM 319 CB CYS A 23 0.092 1.407 0.379 1.00 0.00 C ATOM 320 SG CYS A 23 -1.077 2.799 0.251 1.00 0.00 S ATOM 0 H CYS A 23 1.356 -0.757 0.714 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.332 0.147 1.380 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.781 1.600 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.688 1.362 -0.533 1.00 0.00 H new ATOM 325 N LEU A 24 -2.574 -0.219 -0.748 1.00 0.00 N ATOM 326 CA LEU A 24 -3.347 -0.612 -1.921 1.00 0.00 C ATOM 327 C LEU A 24 -3.540 0.568 -2.867 1.00 0.00 C ATOM 328 O LEU A 24 -3.186 0.499 -4.045 1.00 0.00 O ATOM 329 CB LEU A 24 -4.708 -1.168 -1.496 1.00 0.00 C ATOM 330 CG LEU A 24 -4.690 -2.532 -0.805 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.441 -3.309 -1.190 1.00 0.00 C ATOM 332 CD2 LEU A 24 -4.773 -2.366 0.705 1.00 0.00 C ATOM 0 H LEU A 24 -3.126 0.206 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.792 -1.388 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.178 -0.449 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.341 -1.239 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.561 -3.097 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.446 -4.277 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.424 -3.459 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.556 -2.748 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.759 -3.347 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.922 -1.781 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.698 -1.851 0.964 1.00 0.00 H new ATOM 344 N THR A 25 -4.102 1.654 -2.344 1.00 0.00 N ATOM 345 CA THR A 25 -4.341 2.850 -3.141 1.00 0.00 C ATOM 346 C THR A 25 -3.220 3.071 -4.151 1.00 0.00 C ATOM 347 O THR A 25 -3.434 2.984 -5.360 1.00 0.00 O ATOM 348 CB THR A 25 -4.470 4.101 -2.252 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.588 3.962 -1.369 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.639 5.353 -3.100 1.00 0.00 C ATOM 0 H THR A 25 -4.400 1.729 -1.371 1.00 0.00 H new ATOM 0 HA THR A 25 -5.279 2.693 -3.673 1.00 0.00 H new ATOM 0 HB THR A 25 -3.556 4.199 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.227 4.687 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.728 6.223 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.772 5.472 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.538 5.261 -3.709 1.00 0.00 H new ATOM 358 N CYS A 26 -2.024 3.357 -3.647 1.00 0.00 N ATOM 359 CA CYS A 26 -0.869 3.590 -4.505 1.00 0.00 C ATOM 360 C CYS A 26 -0.175 2.276 -4.852 1.00 0.00 C ATOM 361 O CYS A 26 0.836 2.263 -5.553 1.00 0.00 O ATOM 362 CB CYS A 26 0.119 4.535 -3.818 1.00 0.00 C ATOM 363 SG CYS A 26 0.633 3.995 -2.156 1.00 0.00 S ATOM 0 H CYS A 26 -1.830 3.433 -2.649 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.220 4.050 -5.429 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.005 4.636 -4.445 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.333 5.524 -3.743 1.00 0.00 H new ATOM 368 N GLU A 27 -0.727 1.173 -4.356 1.00 0.00 N ATOM 369 CA GLU A 27 -0.161 -0.146 -4.614 1.00 0.00 C ATOM 370 C GLU A 27 1.351 -0.140 -4.404 1.00 0.00 C ATOM 371 O GLU A 27 2.114 -0.512 -5.295 1.00 0.00 O ATOM 372 CB GLU A 27 -0.487 -0.596 -6.040 1.00 0.00 C ATOM 373 CG GLU A 27 -0.069 0.405 -7.104 1.00 0.00 C ATOM 374 CD GLU A 27 -0.318 -0.103 -8.511 1.00 0.00 C ATOM 375 OE1 GLU A 27 -1.483 -0.061 -8.959 1.00 0.00 O ATOM 376 OE2 GLU A 27 0.652 -0.542 -9.164 1.00 0.00 O ATOM 0 H GLU A 27 -1.565 1.167 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.606 -0.848 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.008 -1.548 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.560 -0.772 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.615 1.337 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.990 0.634 -6.986 1.00 0.00 H new ATOM 383 N VAL A 28 1.776 0.288 -3.220 1.00 0.00 N ATOM 384 CA VAL A 28 3.196 0.343 -2.891 1.00 0.00 C ATOM 385 C VAL A 28 3.449 -0.132 -1.465 1.00 0.00 C ATOM 386 O VAL A 28 2.840 0.346 -0.508 1.00 0.00 O ATOM 387 CB VAL A 28 3.754 1.769 -3.052 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.182 2.429 -4.298 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.456 2.601 -1.814 1.00 0.00 C ATOM 0 H VAL A 28 1.157 0.602 -2.472 1.00 0.00 H new ATOM 0 HA VAL A 28 3.708 -0.321 -3.588 1.00 0.00 H new ATOM 0 HB VAL A 28 4.836 1.706 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.588 3.436 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.452 1.843 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.096 2.482 -4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.858 3.606 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.378 2.658 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.919 2.136 -0.943 1.00 0.00 H new ATOM 399 N PRO A 29 4.370 -1.096 -1.317 1.00 0.00 N ATOM 400 CA PRO A 29 4.726 -1.657 -0.010 1.00 0.00 C ATOM 401 C PRO A 29 5.486 -0.662 0.860 1.00 0.00 C ATOM 402 O PRO A 29 6.693 -0.475 0.700 1.00 0.00 O ATOM 403 CB PRO A 29 5.620 -2.847 -0.366 1.00 0.00 C ATOM 404 CG PRO A 29 6.193 -2.505 -1.698 1.00 0.00 C ATOM 405 CD PRO A 29 5.134 -1.713 -2.414 1.00 0.00 C ATOM 0 HA PRO A 29 3.844 -1.927 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.404 -2.989 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.048 -3.774 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.109 -1.924 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.450 -3.406 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.570 -0.962 -3.072 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.504 -2.352 -3.033 1.00 0.00 H new ATOM 413 N THR A 30 4.772 -0.024 1.783 1.00 0.00 N ATOM 414 CA THR A 30 5.379 0.953 2.678 1.00 0.00 C ATOM 415 C THR A 30 5.054 0.641 4.134 1.00 0.00 C ATOM 416 O THR A 30 4.092 -0.070 4.428 1.00 0.00 O ATOM 417 CB THR A 30 4.907 2.383 2.353 1.00 0.00 C ATOM 418 OG1 THR A 30 5.655 3.332 3.120 1.00 0.00 O ATOM 419 CG2 THR A 30 3.423 2.542 2.648 1.00 0.00 C ATOM 0 H THR A 30 3.773 -0.167 1.930 1.00 0.00 H new ATOM 0 HA THR A 30 6.457 0.892 2.528 1.00 0.00 H new ATOM 0 HB THR A 30 5.072 2.564 1.291 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.594 3.055 3.157 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.112 3.559 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.854 1.838 2.041 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.238 2.343 3.704 1.00 0.00 H new ATOM 427 N CYS A 31 5.861 1.177 5.044 1.00 0.00 N ATOM 428 CA CYS A 31 5.659 0.957 6.471 1.00 0.00 C ATOM 429 C CYS A 31 4.292 1.471 6.913 1.00 0.00 C ATOM 430 O CYS A 31 3.481 1.895 6.089 1.00 0.00 O ATOM 431 CB CYS A 31 6.760 1.649 7.276 1.00 0.00 C ATOM 432 SG CYS A 31 6.568 3.456 7.400 1.00 0.00 S ATOM 0 H CYS A 31 6.662 1.767 4.818 1.00 0.00 H new ATOM 0 HA CYS A 31 5.702 -0.116 6.657 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.780 1.227 8.281 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.724 1.428 6.818 1.00 0.00 H new ATOM 437 N SER A 32 4.044 1.429 8.218 1.00 0.00 N ATOM 438 CA SER A 32 2.774 1.888 8.770 1.00 0.00 C ATOM 439 C SER A 32 2.886 3.323 9.273 1.00 0.00 C ATOM 440 O SER A 32 1.968 4.125 9.106 1.00 0.00 O ATOM 441 CB SER A 32 2.328 0.969 9.909 1.00 0.00 C ATOM 442 OG SER A 32 1.041 1.330 10.381 1.00 0.00 O ATOM 0 H SER A 32 4.705 1.082 8.913 1.00 0.00 H new ATOM 0 HA SER A 32 2.029 1.858 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.315 -0.065 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.047 1.023 10.727 1.00 0.00 H new ATOM 0 HG SER A 32 0.778 0.727 11.107 1.00 0.00 H new ATOM 448 N MET A 33 4.020 3.640 9.890 1.00 0.00 N ATOM 449 CA MET A 33 4.255 4.979 10.417 1.00 0.00 C ATOM 450 C MET A 33 3.953 6.039 9.363 1.00 0.00 C ATOM 451 O MET A 33 3.525 7.148 9.686 1.00 0.00 O ATOM 452 CB MET A 33 5.701 5.116 10.895 1.00 0.00 C ATOM 453 CG MET A 33 6.012 4.295 12.136 1.00 0.00 C ATOM 454 SD MET A 33 6.516 2.609 11.746 1.00 0.00 S ATOM 455 CE MET A 33 4.979 1.727 12.009 1.00 0.00 C ATOM 0 H MET A 33 4.790 2.988 10.037 1.00 0.00 H new ATOM 0 HA MET A 33 3.585 5.132 11.263 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.371 4.812 10.091 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.908 6.166 11.103 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.804 4.785 12.702 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.132 4.267 12.778 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.840 0.994 11.214 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.012 1.217 12.972 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.149 2.433 12.001 1.00 0.00 H new ATOM 465 N CYS A 34 4.178 5.692 8.100 1.00 0.00 N ATOM 466 CA CYS A 34 3.931 6.613 6.997 1.00 0.00 C ATOM 467 C CYS A 34 2.445 6.667 6.655 1.00 0.00 C ATOM 468 O CYS A 34 1.961 7.647 6.090 1.00 0.00 O ATOM 469 CB CYS A 34 4.735 6.194 5.765 1.00 0.00 C ATOM 470 SG CYS A 34 6.514 6.571 5.873 1.00 0.00 S ATOM 0 H CYS A 34 4.531 4.779 7.815 1.00 0.00 H new ATOM 0 HA CYS A 34 4.250 7.608 7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.611 5.122 5.611 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.322 6.692 4.888 1.00 0.00 H new ATOM 475 N LYS A 35 1.725 5.605 7.002 1.00 0.00 N ATOM 476 CA LYS A 35 0.294 5.529 6.735 1.00 0.00 C ATOM 477 C LYS A 35 -0.504 6.187 7.856 1.00 0.00 C ATOM 478 O LYS A 35 -1.456 6.926 7.603 1.00 0.00 O ATOM 479 CB LYS A 35 -0.139 4.070 6.574 1.00 0.00 C ATOM 480 CG LYS A 35 -1.646 3.882 6.555 1.00 0.00 C ATOM 481 CD LYS A 35 -2.216 4.079 5.161 1.00 0.00 C ATOM 482 CE LYS A 35 -3.735 4.012 5.164 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.344 5.260 5.701 1.00 0.00 N ATOM 0 H LYS A 35 2.110 4.784 7.469 1.00 0.00 H new ATOM 0 HA LYS A 35 0.094 6.065 5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.280 3.675 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.282 3.483 7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.893 2.882 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.110 4.589 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.894 5.044 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.819 3.315 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.093 3.841 4.149 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.060 3.162 5.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.730 5.078 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.619 6.003 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.110 5.572 5.070 1.00 0.00 H new ATOM 497 N VAL A 36 -0.111 5.914 9.096 1.00 0.00 N ATOM 498 CA VAL A 36 -0.789 6.481 10.255 1.00 0.00 C ATOM 499 C VAL A 36 -0.246 7.867 10.585 1.00 0.00 C ATOM 500 O VAL A 36 -0.981 8.739 11.050 1.00 0.00 O ATOM 501 CB VAL A 36 -0.638 5.575 11.492 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.406 4.276 11.299 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.831 5.299 11.774 1.00 0.00 C ATOM 0 H VAL A 36 0.674 5.303 9.324 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.845 6.559 9.997 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.058 6.093 12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.288 3.649 12.183 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.463 4.497 11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.018 3.750 10.426 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.919 4.658 12.651 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.279 4.801 10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.349 6.240 11.959 1.00 0.00 H new ATOM 513 N PHE A 37 1.045 8.065 10.341 1.00 0.00 N ATOM 514 CA PHE A 37 1.688 9.345 10.612 1.00 0.00 C ATOM 515 C PHE A 37 2.557 9.778 9.435 1.00 0.00 C ATOM 516 O PHE A 37 3.713 10.162 9.611 1.00 0.00 O ATOM 517 CB PHE A 37 2.536 9.255 11.882 1.00 0.00 C ATOM 518 CG PHE A 37 1.933 8.384 12.946 1.00 0.00 C ATOM 519 CD1 PHE A 37 0.728 8.726 13.539 1.00 0.00 C ATOM 520 CD2 PHE A 37 2.570 7.222 13.352 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.171 7.926 14.519 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.017 6.418 14.331 1.00 0.00 C ATOM 523 CZ PHE A 37 0.816 6.770 14.915 1.00 0.00 C ATOM 0 H PHE A 37 1.667 7.354 9.956 1.00 0.00 H new ATOM 0 HA PHE A 37 0.907 10.092 10.757 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.522 8.869 11.624 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.681 10.258 12.284 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.219 9.627 13.232 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.509 6.942 12.898 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.768 8.204 14.975 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.524 5.515 14.639 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.382 6.143 15.680 1.00 0.00 H new ATOM 533 N GLY A 38 1.992 9.712 8.234 1.00 0.00 N ATOM 534 CA GLY A 38 2.729 10.099 7.045 1.00 0.00 C ATOM 535 C GLY A 38 1.822 10.593 5.935 1.00 0.00 C ATOM 536 O GLY A 38 0.599 10.597 6.080 1.00 0.00 O ATOM 0 H GLY A 38 1.037 9.397 8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.442 10.882 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.306 9.247 6.686 1.00 0.00 H new ATOM 540 N ILE A 39 2.421 11.011 4.826 1.00 0.00 N ATOM 541 CA ILE A 39 1.659 11.510 3.688 1.00 0.00 C ATOM 542 C ILE A 39 0.645 10.476 3.210 1.00 0.00 C ATOM 543 O ILE A 39 -0.289 10.800 2.475 1.00 0.00 O ATOM 544 CB ILE A 39 2.581 11.889 2.514 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.221 10.635 1.915 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.651 12.867 2.976 1.00 0.00 C ATOM 547 CD1 ILE A 39 4.020 9.827 2.914 1.00 0.00 C ATOM 0 H ILE A 39 3.432 11.014 4.691 1.00 0.00 H new ATOM 0 HA ILE A 39 1.133 12.402 4.028 1.00 0.00 H new ATOM 0 HB ILE A 39 1.983 12.373 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.439 10.004 1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.873 10.928 1.092 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.295 13.126 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.177 13.770 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.249 12.407 3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.444 8.953 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.824 10.441 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.368 9.503 3.725 1.00 0.00 H new ATOM 559 N HIS A 40 0.833 9.231 3.633 1.00 0.00 N ATOM 560 CA HIS A 40 -0.066 8.148 3.251 1.00 0.00 C ATOM 561 C HIS A 40 -1.307 8.134 4.138 1.00 0.00 C ATOM 562 O HIS A 40 -1.520 7.200 4.911 1.00 0.00 O ATOM 563 CB HIS A 40 0.654 6.802 3.339 1.00 0.00 C ATOM 564 CG HIS A 40 1.636 6.575 2.232 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.317 5.906 1.069 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.936 6.932 2.114 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.380 5.861 0.284 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.375 6.477 0.895 1.00 0.00 N ATOM 0 H HIS A 40 1.601 8.946 4.241 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.379 8.316 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.175 6.740 4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.086 6.002 3.327 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.520 7.474 2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.426 5.399 -0.691 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.317 6.596 0.522 1.00 0.00 H new ATOM 576 N LYS A 41 -2.123 9.176 4.022 1.00 0.00 N ATOM 577 CA LYS A 41 -3.344 9.284 4.813 1.00 0.00 C ATOM 578 C LYS A 41 -4.566 8.908 3.981 1.00 0.00 C ATOM 579 O LYS A 41 -5.447 8.186 4.447 1.00 0.00 O ATOM 580 CB LYS A 41 -3.501 10.707 5.354 1.00 0.00 C ATOM 581 CG LYS A 41 -2.368 11.138 6.269 1.00 0.00 C ATOM 582 CD LYS A 41 -2.813 12.223 7.235 1.00 0.00 C ATOM 583 CE LYS A 41 -1.988 12.206 8.512 1.00 0.00 C ATOM 584 NZ LYS A 41 -2.274 13.386 9.374 1.00 0.00 N ATOM 0 H LYS A 41 -1.961 9.958 3.388 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.268 8.590 5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.564 11.401 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.443 10.778 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.005 10.277 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.534 11.503 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.723 13.198 6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.866 12.084 7.479 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.197 11.292 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.928 12.190 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.692 13.337 10.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.050 14.258 8.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.280 13.388 9.637 1.00 0.00 H new ATOM 598 N ALA A 42 -4.611 9.400 2.748 1.00 0.00 N ATOM 599 CA ALA A 42 -5.723 9.112 1.850 1.00 0.00 C ATOM 600 C ALA A 42 -5.535 7.767 1.157 1.00 0.00 C ATOM 601 O ALA A 42 -5.991 7.568 0.031 1.00 0.00 O ATOM 602 CB ALA A 42 -5.872 10.222 0.821 1.00 0.00 C ATOM 0 H ALA A 42 -3.890 10.000 2.347 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.634 9.060 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.706 9.993 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.062 11.167 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.955 10.302 0.237 1.00 0.00 H new ATOM 608 N CYS A 43 -4.861 6.845 1.837 1.00 0.00 N ATOM 609 CA CYS A 43 -4.611 5.519 1.287 1.00 0.00 C ATOM 610 C CYS A 43 -5.240 4.439 2.163 1.00 0.00 C ATOM 611 O CYS A 43 -5.927 4.741 3.139 1.00 0.00 O ATOM 612 CB CYS A 43 -3.107 5.273 1.157 1.00 0.00 C ATOM 613 SG CYS A 43 -2.350 6.051 -0.306 1.00 0.00 S ATOM 0 H CYS A 43 -4.478 6.993 2.771 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.067 5.472 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.610 5.647 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.927 4.199 1.118 1.00 0.00 H new ATOM 618 N GLU A 44 -5.000 3.181 1.808 1.00 0.00 N ATOM 619 CA GLU A 44 -5.543 2.058 2.561 1.00 0.00 C ATOM 620 C GLU A 44 -4.588 0.868 2.529 1.00 0.00 C ATOM 621 O GLU A 44 -4.394 0.242 1.487 1.00 0.00 O ATOM 622 CB GLU A 44 -6.905 1.648 1.998 1.00 0.00 C ATOM 623 CG GLU A 44 -6.843 1.131 0.570 1.00 0.00 C ATOM 624 CD GLU A 44 -8.207 1.077 -0.091 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.002 2.018 0.111 1.00 0.00 O ATOM 626 OE2 GLU A 44 -8.478 0.093 -0.811 1.00 0.00 O ATOM 0 H GLU A 44 -4.433 2.914 1.003 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.667 2.375 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.335 0.876 2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.577 2.505 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.185 1.772 -0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.402 0.134 0.567 1.00 0.00 H new ATOM 633 N VAL A 45 -3.994 0.562 3.678 1.00 0.00 N ATOM 634 CA VAL A 45 -3.059 -0.553 3.782 1.00 0.00 C ATOM 635 C VAL A 45 -3.788 -1.852 4.104 1.00 0.00 C ATOM 636 O VAL A 45 -4.880 -1.839 4.671 1.00 0.00 O ATOM 637 CB VAL A 45 -1.994 -0.292 4.863 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.081 0.851 4.449 1.00 0.00 C ATOM 639 CG2 VAL A 45 -2.655 0.000 6.202 1.00 0.00 C ATOM 0 H VAL A 45 -4.143 1.070 4.550 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.567 -0.647 2.814 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.385 -1.189 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.335 1.020 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.581 0.597 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.672 1.756 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.888 0.182 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.289 0.882 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.262 -0.854 6.502 1.00 0.00 H new ATOM 649 N ALA A 46 -3.175 -2.974 3.740 1.00 0.00 N ATOM 650 CA ALA A 46 -3.764 -4.283 3.992 1.00 0.00 C ATOM 651 C ALA A 46 -2.761 -5.216 4.662 1.00 0.00 C ATOM 652 O ALA A 46 -1.556 -4.967 4.672 1.00 0.00 O ATOM 653 CB ALA A 46 -4.270 -4.894 2.694 1.00 0.00 C ATOM 0 H ALA A 46 -2.270 -3.002 3.270 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.607 -4.150 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.707 -5.871 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.026 -4.243 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.440 -5.006 1.997 1.00 0.00 H new ATOM 659 N PRO A 47 -3.269 -6.317 5.238 1.00 0.00 N ATOM 660 CA PRO A 47 -2.434 -7.309 5.921 1.00 0.00 C ATOM 661 C PRO A 47 -1.561 -8.099 4.951 1.00 0.00 C ATOM 662 O PRO A 47 -1.908 -9.212 4.553 1.00 0.00 O ATOM 663 CB PRO A 47 -3.455 -8.230 6.593 1.00 0.00 C ATOM 664 CG PRO A 47 -4.688 -8.094 5.767 1.00 0.00 C ATOM 665 CD PRO A 47 -4.696 -6.677 5.265 1.00 0.00 C ATOM 0 HA PRO A 47 -1.736 -6.844 6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.104 -9.262 6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.636 -7.934 7.626 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.682 -8.802 4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.579 -8.303 6.359 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.148 -6.604 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.264 -6.020 5.924 1.00 0.00 H new ATOM 673 N LEU A 48 -0.428 -7.518 4.575 1.00 0.00 N ATOM 674 CA LEU A 48 0.495 -8.168 3.651 1.00 0.00 C ATOM 675 C LEU A 48 0.479 -9.682 3.841 1.00 0.00 C ATOM 676 O LEU A 48 0.465 -10.438 2.870 1.00 0.00 O ATOM 677 CB LEU A 48 1.914 -7.633 3.855 1.00 0.00 C ATOM 678 CG LEU A 48 2.910 -7.926 2.732 1.00 0.00 C ATOM 679 CD1 LEU A 48 2.623 -7.050 1.522 1.00 0.00 C ATOM 680 CD2 LEU A 48 4.337 -7.717 3.218 1.00 0.00 C ATOM 0 H LEU A 48 -0.126 -6.598 4.895 1.00 0.00 H new ATOM 0 HA LEU A 48 0.171 -7.943 2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.858 -6.553 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.308 -8.050 4.781 1.00 0.00 H new ATOM 0 HG LEU A 48 2.797 -8.969 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.342 -7.272 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.614 -7.248 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.707 -6.001 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.033 -7.930 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.463 -6.684 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.539 -8.387 4.054 1.00 0.00 H new ATOM 692 N GLN A 49 0.479 -10.116 5.097 1.00 0.00 N ATOM 693 CA GLN A 49 0.463 -11.539 5.413 1.00 0.00 C ATOM 694 C GLN A 49 -0.865 -12.171 5.011 1.00 0.00 C ATOM 695 O GLN A 49 -1.829 -12.152 5.777 1.00 0.00 O ATOM 696 CB GLN A 49 0.713 -11.754 6.907 1.00 0.00 C ATOM 697 CG GLN A 49 1.215 -13.148 7.245 1.00 0.00 C ATOM 698 CD GLN A 49 0.223 -14.232 6.874 1.00 0.00 C ATOM 699 OE1 GLN A 49 -0.851 -14.336 7.467 1.00 0.00 O ATOM 700 NE2 GLN A 49 0.578 -15.048 5.889 1.00 0.00 N ATOM 0 H GLN A 49 0.490 -9.503 5.912 1.00 0.00 H new ATOM 0 HA GLN A 49 1.260 -12.021 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.441 -11.021 7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.212 -11.568 7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.155 -13.328 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.427 -13.205 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.478 -14.926 5.425 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.049 -15.797 5.596 1.00 0.00 H new ATOM 709 N SER A 50 -0.909 -12.729 3.806 1.00 0.00 N ATOM 710 CA SER A 50 -2.121 -13.363 3.301 1.00 0.00 C ATOM 711 C SER A 50 -3.155 -12.316 2.898 1.00 0.00 C ATOM 712 O SER A 50 -4.300 -12.352 3.349 1.00 0.00 O ATOM 713 CB SER A 50 -2.711 -14.299 4.357 1.00 0.00 C ATOM 714 OG SER A 50 -3.412 -15.373 3.753 1.00 0.00 O ATOM 0 H SER A 50 -0.119 -12.755 3.161 1.00 0.00 H new ATOM 0 HA SER A 50 -1.856 -13.945 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.912 -14.691 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.385 -13.740 5.007 1.00 0.00 H new ATOM 0 HG SER A 50 -3.778 -15.957 4.449 1.00 0.00 H new ATOM 720 N VAL A 51 -2.742 -11.382 2.047 1.00 0.00 N ATOM 721 CA VAL A 51 -3.631 -10.324 1.582 1.00 0.00 C ATOM 722 C VAL A 51 -4.850 -10.903 0.873 1.00 0.00 C ATOM 723 O VAL A 51 -4.781 -11.278 -0.297 1.00 0.00 O ATOM 724 CB VAL A 51 -2.904 -9.360 0.626 1.00 0.00 C ATOM 725 CG1 VAL A 51 -3.831 -8.233 0.197 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.647 -8.808 1.280 1.00 0.00 C ATOM 0 H VAL A 51 -1.797 -11.337 1.666 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.956 -9.772 2.464 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.609 -9.914 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.300 -7.562 -0.478 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.699 -8.650 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.160 -7.678 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.146 -8.129 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.916 -8.269 2.188 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.976 -9.630 1.531 1.00 0.00 H new ATOM 736 N PHE A 52 -5.967 -10.972 1.590 1.00 0.00 N ATOM 737 CA PHE A 52 -7.203 -11.506 1.030 1.00 0.00 C ATOM 738 C PHE A 52 -8.359 -10.531 1.236 1.00 0.00 C ATOM 739 O PHE A 52 -8.987 -10.087 0.275 1.00 0.00 O ATOM 740 CB PHE A 52 -7.538 -12.854 1.672 1.00 0.00 C ATOM 741 CG PHE A 52 -6.984 -14.030 0.919 1.00 0.00 C ATOM 742 CD1 PHE A 52 -5.648 -14.068 0.553 1.00 0.00 C ATOM 743 CD2 PHE A 52 -7.799 -15.098 0.578 1.00 0.00 C ATOM 744 CE1 PHE A 52 -5.135 -15.149 -0.139 1.00 0.00 C ATOM 745 CE2 PHE A 52 -7.291 -16.181 -0.113 1.00 0.00 C ATOM 746 CZ PHE A 52 -5.958 -16.206 -0.473 1.00 0.00 C ATOM 0 H PHE A 52 -6.042 -10.665 2.560 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.056 -11.648 -0.041 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.150 -12.869 2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.621 -12.955 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.000 -13.243 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.843 -15.083 0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.092 -15.167 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.936 -17.008 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.560 -17.051 -1.015 1.00 0.00 H new ATOM 756 N GLN A 53 -8.632 -10.204 2.494 1.00 0.00 N ATOM 757 CA GLN A 53 -9.713 -9.283 2.826 1.00 0.00 C ATOM 758 C GLN A 53 -9.216 -7.841 2.836 1.00 0.00 C ATOM 759 O GLN A 53 -8.233 -7.517 3.503 1.00 0.00 O ATOM 760 CB GLN A 53 -10.313 -9.637 4.188 1.00 0.00 C ATOM 761 CG GLN A 53 -11.312 -10.781 4.133 1.00 0.00 C ATOM 762 CD GLN A 53 -10.651 -12.140 4.252 1.00 0.00 C ATOM 763 OE1 GLN A 53 -9.519 -12.333 3.807 1.00 0.00 O ATOM 764 NE2 GLN A 53 -11.354 -13.091 4.856 1.00 0.00 N ATOM 0 H GLN A 53 -8.120 -10.563 3.300 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.484 -9.377 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.507 -9.902 4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -10.805 -8.756 4.599 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.038 -10.663 4.937 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.864 -10.731 3.195 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.289 -12.887 5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.959 -14.025 4.966 1.00 0.00 H new ATOM 773 N GLY A 54 -9.901 -6.978 2.092 1.00 0.00 N ATOM 774 CA GLY A 54 -9.513 -5.581 2.029 1.00 0.00 C ATOM 775 C GLY A 54 -10.050 -4.777 3.196 1.00 0.00 C ATOM 776 O GLY A 54 -10.804 -3.824 3.006 1.00 0.00 O ATOM 0 H GLY A 54 -10.718 -7.221 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.425 -5.510 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.875 -5.148 1.096 1.00 0.00 H new ATOM 780 N GLN A 55 -9.661 -5.164 4.407 1.00 0.00 N ATOM 781 CA GLN A 55 -10.111 -4.473 5.610 1.00 0.00 C ATOM 782 C GLN A 55 -9.554 -3.054 5.663 1.00 0.00 C ATOM 783 O GLN A 55 -8.344 -2.847 5.576 1.00 0.00 O ATOM 784 CB GLN A 55 -9.685 -5.248 6.858 1.00 0.00 C ATOM 785 CG GLN A 55 -10.491 -4.895 8.098 1.00 0.00 C ATOM 786 CD GLN A 55 -11.964 -5.220 7.949 1.00 0.00 C ATOM 787 OE1 GLN A 55 -12.433 -6.257 8.420 1.00 0.00 O ATOM 788 NE2 GLN A 55 -12.703 -4.334 7.292 1.00 0.00 N ATOM 0 H GLN A 55 -9.036 -5.951 4.581 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.199 -4.416 5.580 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.783 -6.316 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.630 -5.055 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.088 -5.436 8.954 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.377 -3.832 8.310 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.273 -3.488 6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.701 -4.499 7.161 1.00 0.00 H new ATOM 797 N LYS A 56 -10.445 -2.079 5.807 1.00 0.00 N ATOM 798 CA LYS A 56 -10.044 -0.679 5.873 1.00 0.00 C ATOM 799 C LYS A 56 -9.667 -0.288 7.299 1.00 0.00 C ATOM 800 O LYS A 56 -10.233 -0.800 8.265 1.00 0.00 O ATOM 801 CB LYS A 56 -11.174 0.221 5.369 1.00 0.00 C ATOM 802 CG LYS A 56 -11.347 0.192 3.860 1.00 0.00 C ATOM 803 CD LYS A 56 -12.084 -1.058 3.407 1.00 0.00 C ATOM 804 CE LYS A 56 -13.576 -0.955 3.681 1.00 0.00 C ATOM 805 NZ LYS A 56 -14.276 -2.247 3.435 1.00 0.00 N ATOM 0 H LYS A 56 -11.451 -2.233 5.880 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.170 -0.547 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.108 -0.085 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.979 1.246 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.897 1.076 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.369 0.233 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.919 -1.213 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.678 -1.928 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.735 -0.647 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.009 -0.181 3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -15.291 -2.135 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.146 -2.529 2.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.881 -2.980 4.058 1.00 0.00 H new ATOM 819 N THR A 57 -8.707 0.624 7.423 1.00 0.00 N ATOM 820 CA THR A 57 -8.254 1.084 8.729 1.00 0.00 C ATOM 821 C THR A 57 -8.590 2.555 8.941 1.00 0.00 C ATOM 822 O THR A 57 -8.568 3.050 10.067 1.00 0.00 O ATOM 823 CB THR A 57 -6.736 0.886 8.900 1.00 0.00 C ATOM 824 OG1 THR A 57 -6.309 1.427 10.155 1.00 0.00 O ATOM 825 CG2 THR A 57 -5.973 1.554 7.767 1.00 0.00 C ATOM 0 H THR A 57 -8.229 1.058 6.634 1.00 0.00 H new ATOM 0 HA THR A 57 -8.777 0.484 9.473 1.00 0.00 H new ATOM 0 HB THR A 57 -6.526 -0.183 8.877 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.921 2.142 10.429 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.903 1.401 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.279 1.118 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.189 2.622 7.763 1.00 0.00 H new ATOM 833 N GLU A 58 -8.901 3.249 7.851 1.00 0.00 N ATOM 834 CA GLU A 58 -9.242 4.666 7.919 1.00 0.00 C ATOM 835 C GLU A 58 -10.642 4.916 7.365 1.00 0.00 C ATOM 836 O GLU A 58 -10.969 4.487 6.259 1.00 0.00 O ATOM 837 CB GLU A 58 -8.218 5.497 7.142 1.00 0.00 C ATOM 838 CG GLU A 58 -7.039 5.953 7.984 1.00 0.00 C ATOM 839 CD GLU A 58 -7.468 6.692 9.237 1.00 0.00 C ATOM 840 OE1 GLU A 58 -7.773 6.021 10.246 1.00 0.00 O ATOM 841 OE2 GLU A 58 -7.500 7.940 9.209 1.00 0.00 O ATOM 0 H GLU A 58 -8.924 2.854 6.911 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.225 4.968 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.848 4.909 6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.715 6.372 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.441 5.086 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.399 6.601 7.385 1.00 0.00 H new ATOM 848 N SER A 59 -11.464 5.612 8.144 1.00 0.00 N ATOM 849 CA SER A 59 -12.830 5.916 7.735 1.00 0.00 C ATOM 850 C SER A 59 -12.842 6.910 6.577 1.00 0.00 C ATOM 851 O SER A 59 -11.898 7.676 6.392 1.00 0.00 O ATOM 852 CB SER A 59 -13.624 6.481 8.915 1.00 0.00 C ATOM 853 OG SER A 59 -14.997 6.145 8.812 1.00 0.00 O ATOM 0 H SER A 59 -11.208 5.976 9.062 1.00 0.00 H new ATOM 0 HA SER A 59 -13.298 4.990 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.220 6.091 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.513 7.565 8.947 1.00 0.00 H new ATOM 0 HG SER A 59 -15.483 6.516 9.578 1.00 0.00 H new ATOM 859 N GLY A 60 -13.920 6.889 5.799 1.00 0.00 N ATOM 860 CA GLY A 60 -14.036 7.792 4.669 1.00 0.00 C ATOM 861 C GLY A 60 -15.478 8.050 4.279 1.00 0.00 C ATOM 862 O GLY A 60 -16.412 7.663 4.981 1.00 0.00 O ATOM 0 H GLY A 60 -14.715 6.263 5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.554 8.739 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.502 7.373 3.816 1.00 0.00 H new ATOM 866 N PRO A 61 -15.675 8.721 3.134 1.00 0.00 N ATOM 867 CA PRO A 61 -17.011 9.046 2.627 1.00 0.00 C ATOM 868 C PRO A 61 -17.765 7.811 2.147 1.00 0.00 C ATOM 869 O PRO A 61 -18.964 7.872 1.874 1.00 0.00 O ATOM 870 CB PRO A 61 -16.725 9.988 1.454 1.00 0.00 C ATOM 871 CG PRO A 61 -15.350 9.630 1.007 1.00 0.00 C ATOM 872 CD PRO A 61 -14.607 9.213 2.247 1.00 0.00 C ATOM 0 HA PRO A 61 -17.645 9.483 3.398 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -17.450 9.852 0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -16.782 11.032 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -15.375 8.821 0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -14.862 10.478 0.527 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.872 8.437 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -14.067 10.049 2.693 1.00 0.00 H new ATOM 880 N SER A 62 -17.056 6.692 2.046 1.00 0.00 N ATOM 881 CA SER A 62 -17.658 5.443 1.595 1.00 0.00 C ATOM 882 C SER A 62 -18.151 5.565 0.156 1.00 0.00 C ATOM 883 O SER A 62 -19.227 5.076 -0.186 1.00 0.00 O ATOM 884 CB SER A 62 -18.819 5.052 2.512 1.00 0.00 C ATOM 885 OG SER A 62 -19.370 3.803 2.133 1.00 0.00 O ATOM 0 H SER A 62 -16.063 6.624 2.271 1.00 0.00 H new ATOM 0 HA SER A 62 -16.895 4.666 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.471 5.001 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 62 -19.591 5.820 2.474 1.00 0.00 H new ATOM 0 HG SER A 62 -19.554 3.805 1.170 1.00 0.00 H new ATOM 891 N SER A 63 -17.356 6.223 -0.681 1.00 0.00 N ATOM 892 CA SER A 63 -17.712 6.414 -2.082 1.00 0.00 C ATOM 893 C SER A 63 -18.227 5.115 -2.694 1.00 0.00 C ATOM 894 O SER A 63 -17.618 4.057 -2.538 1.00 0.00 O ATOM 895 CB SER A 63 -16.504 6.920 -2.873 1.00 0.00 C ATOM 896 OG SER A 63 -15.975 8.101 -2.296 1.00 0.00 O ATOM 0 H SER A 63 -16.461 6.633 -0.414 1.00 0.00 H new ATOM 0 HA SER A 63 -18.507 7.158 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.734 6.149 -2.900 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.797 7.115 -3.905 1.00 0.00 H new ATOM 0 HG SER A 63 -15.203 8.403 -2.819 1.00 0.00 H new ATOM 902 N GLY A 64 -19.355 5.203 -3.392 1.00 0.00 N ATOM 903 CA GLY A 64 -19.934 4.028 -4.017 1.00 0.00 C ATOM 904 C GLY A 64 -21.318 4.293 -4.578 1.00 0.00 C ATOM 905 O GLY A 64 -21.909 5.321 -4.253 1.00 0.00 O ATOM 0 H GLY A 64 -19.878 6.067 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.279 3.687 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -19.990 3.221 -3.286 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.922 4.726 6.017 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.265 4.888 -0.295 1.00 0.00 ZN