USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 Single : A 1 THR N :NH3+ 171:sc= 1.35 (180deg=1.16) USER MOD Single : A 1 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 11 SER OG : rot 69:sc= 0.109 USER MOD Single : A 12 ASN : amide:sc= -0.934 K(o=-0.93,f=-7.2!) USER MOD Single : A 14 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 28 THR OG1 : rot 67:sc= 1.26 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -6.84! C(o=-6.8!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -6.355 -1.560 5.964 1.00 0.00 N ATOM 2 CA THR A 1 -4.978 -2.067 5.819 1.00 0.00 C ATOM 3 C THR A 1 -4.543 -2.050 4.357 1.00 0.00 C ATOM 4 O THR A 1 -5.294 -2.445 3.466 1.00 0.00 O ATOM 5 CB THR A 1 -4.869 -3.493 6.386 1.00 0.00 C ATOM 6 OG1 THR A 1 -5.429 -3.517 7.707 1.00 0.00 O ATOM 7 CG2 THR A 1 -3.420 -3.952 6.445 1.00 0.00 C ATOM 0 H1 THR A 1 -6.684 -1.722 6.937 1.00 0.00 H new ATOM 0 H2 THR A 1 -6.373 -0.541 5.757 1.00 0.00 H new ATOM 0 H3 THR A 1 -6.981 -2.059 5.300 1.00 0.00 H new ATOM 0 HA THR A 1 -4.315 -1.411 6.383 1.00 0.00 H new ATOM 0 HB THR A 1 -5.416 -4.170 5.729 1.00 0.00 H new ATOM 0 HG1 THR A 1 -6.405 -3.587 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 1 -3.375 -4.963 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 1 -2.995 -3.944 5.442 1.00 0.00 H new ATOM 0 HG23 THR A 1 -2.851 -3.279 7.086 1.00 0.00 H new ATOM 17 N THR A 2 -3.342 -1.565 4.120 1.00 0.00 N ATOM 18 CA THR A 2 -2.784 -1.516 2.784 1.00 0.00 C ATOM 19 C THR A 2 -1.870 -2.716 2.553 1.00 0.00 C ATOM 20 O THR A 2 -1.016 -3.020 3.385 1.00 0.00 O ATOM 21 CB THR A 2 -1.998 -0.209 2.588 1.00 0.00 C ATOM 22 OG1 THR A 2 -2.748 0.879 3.142 1.00 0.00 O ATOM 23 CG2 THR A 2 -1.729 0.061 1.120 1.00 0.00 C ATOM 0 H THR A 2 -2.727 -1.195 4.845 1.00 0.00 H new ATOM 0 HA THR A 2 -3.599 -1.549 2.061 1.00 0.00 H new ATOM 0 HB THR A 2 -1.039 -0.307 3.096 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.250 1.714 3.021 1.00 0.00 H new ATOM 0 HG21 THR A 2 -1.172 0.992 1.017 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.146 -0.759 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.676 0.144 0.586 1.00 0.00 H new ATOM 31 N CYS A 3 -2.069 -3.408 1.443 1.00 0.00 N ATOM 32 CA CYS A 3 -1.262 -4.573 1.117 1.00 0.00 C ATOM 33 C CYS A 3 -0.662 -4.416 -0.272 1.00 0.00 C ATOM 34 O CYS A 3 -1.384 -4.354 -1.271 1.00 0.00 O ATOM 35 CB CYS A 3 -2.106 -5.850 1.210 1.00 0.00 C ATOM 36 SG CYS A 3 -2.950 -6.060 2.818 1.00 0.00 S ATOM 0 H CYS A 3 -2.784 -3.183 0.751 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.448 -4.655 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.853 -5.839 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.464 -6.713 1.032 1.00 0.00 H new ATOM 41 N CYS A 4 0.655 -4.316 -0.326 1.00 0.00 N ATOM 42 CA CYS A 4 1.358 -4.089 -1.578 1.00 0.00 C ATOM 43 C CYS A 4 2.044 -5.366 -2.061 1.00 0.00 C ATOM 44 O CYS A 4 2.230 -6.304 -1.290 1.00 0.00 O ATOM 45 CB CYS A 4 2.391 -2.974 -1.393 1.00 0.00 C ATOM 46 SG CYS A 4 1.710 -1.404 -0.753 1.00 0.00 S ATOM 0 H CYS A 4 1.264 -4.389 0.489 1.00 0.00 H new ATOM 0 HA CYS A 4 0.632 -3.790 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.165 -3.324 -0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.874 -2.782 -2.351 1.00 0.00 H new ATOM 51 N PRO A 5 2.375 -5.426 -3.365 1.00 0.00 N ATOM 52 CA PRO A 5 3.134 -6.541 -3.966 1.00 0.00 C ATOM 53 C PRO A 5 4.510 -6.775 -3.302 1.00 0.00 C ATOM 54 O PRO A 5 4.582 -7.189 -2.149 1.00 0.00 O ATOM 55 CB PRO A 5 3.275 -6.101 -5.432 1.00 0.00 C ATOM 56 CG PRO A 5 2.116 -5.204 -5.658 1.00 0.00 C ATOM 57 CD PRO A 5 1.968 -4.439 -4.379 1.00 0.00 C ATOM 0 HA PRO A 5 2.630 -7.499 -3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.219 -5.583 -5.603 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.254 -6.956 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.292 -4.535 -6.501 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.214 -5.773 -5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.603 -3.553 -4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.944 -4.100 -4.226 1.00 0.00 H new ATOM 65 N SER A 6 5.607 -6.541 -4.026 1.00 0.00 N ATOM 66 CA SER A 6 6.935 -6.719 -3.456 1.00 0.00 C ATOM 67 C SER A 6 7.274 -5.565 -2.509 1.00 0.00 C ATOM 68 O SER A 6 6.576 -4.547 -2.482 1.00 0.00 O ATOM 69 CB SER A 6 7.983 -6.828 -4.569 1.00 0.00 C ATOM 70 OG SER A 6 9.245 -7.204 -4.051 1.00 0.00 O ATOM 0 H SER A 6 5.598 -6.231 -4.998 1.00 0.00 H new ATOM 0 HA SER A 6 6.943 -7.645 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.658 -7.561 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.069 -5.872 -5.085 1.00 0.00 H new ATOM 0 HG SER A 6 9.893 -7.268 -4.783 1.00 0.00 H new ATOM 76 N ILE A 7 8.365 -5.722 -1.761 1.00 0.00 N ATOM 77 CA ILE A 7 8.748 -4.772 -0.721 1.00 0.00 C ATOM 78 C ILE A 7 8.949 -3.367 -1.288 1.00 0.00 C ATOM 79 O ILE A 7 8.585 -2.377 -0.653 1.00 0.00 O ATOM 80 CB ILE A 7 10.035 -5.230 0.000 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.887 -6.684 0.460 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.327 -4.321 1.185 1.00 0.00 C ATOM 83 CD1 ILE A 7 11.126 -7.252 1.119 1.00 0.00 C ATOM 0 H ILE A 7 9.006 -6.509 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 7 7.929 -4.739 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 7 10.873 -5.167 -0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.054 -6.750 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.630 -7.302 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.237 -4.655 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.460 -3.298 0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.493 -4.358 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.940 -8.284 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.959 -7.221 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.373 -6.660 2.000 1.00 0.00 H new ATOM 95 N VAL A 8 9.505 -3.292 -2.495 1.00 0.00 N ATOM 96 CA VAL A 8 9.749 -2.013 -3.165 1.00 0.00 C ATOM 97 C VAL A 8 8.481 -1.158 -3.219 1.00 0.00 C ATOM 98 O VAL A 8 8.529 0.049 -2.974 1.00 0.00 O ATOM 99 CB VAL A 8 10.286 -2.225 -4.601 1.00 0.00 C ATOM 100 CG1 VAL A 8 10.503 -0.896 -5.315 1.00 0.00 C ATOM 101 CG2 VAL A 8 11.575 -3.029 -4.570 1.00 0.00 C ATOM 0 H VAL A 8 9.798 -4.107 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 8 10.502 -1.488 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 8 9.536 -2.784 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.880 -1.081 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.558 -0.357 -5.375 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.226 -0.299 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.940 -3.170 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 8 12.324 -2.494 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.387 -4.001 -4.114 1.00 0.00 H new ATOM 111 N ALA A 9 7.345 -1.805 -3.486 1.00 0.00 N ATOM 112 CA ALA A 9 6.070 -1.104 -3.640 1.00 0.00 C ATOM 113 C ALA A 9 5.598 -0.497 -2.323 1.00 0.00 C ATOM 114 O ALA A 9 4.691 0.329 -2.303 1.00 0.00 O ATOM 115 CB ALA A 9 5.011 -2.048 -4.187 1.00 0.00 C ATOM 0 H ALA A 9 7.283 -2.817 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 9 6.226 -0.289 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.068 -1.513 -4.296 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.328 -2.427 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.877 -2.882 -3.499 1.00 0.00 H new ATOM 121 N ARG A 10 6.201 -0.925 -1.226 1.00 0.00 N ATOM 122 CA ARG A 10 5.883 -0.367 0.079 1.00 0.00 C ATOM 123 C ARG A 10 6.904 0.692 0.468 1.00 0.00 C ATOM 124 O ARG A 10 6.554 1.739 1.015 1.00 0.00 O ATOM 125 CB ARG A 10 5.851 -1.464 1.143 1.00 0.00 C ATOM 126 CG ARG A 10 5.710 -0.923 2.557 1.00 0.00 C ATOM 127 CD ARG A 10 5.554 -2.037 3.573 1.00 0.00 C ATOM 128 NE ARG A 10 4.222 -2.629 3.535 1.00 0.00 N ATOM 129 CZ ARG A 10 3.446 -2.762 4.608 1.00 0.00 C ATOM 130 NH1 ARG A 10 3.869 -2.319 5.785 1.00 0.00 N ATOM 131 NH2 ARG A 10 2.249 -3.323 4.503 1.00 0.00 N ATOM 0 H ARG A 10 6.912 -1.656 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 10 4.897 0.093 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.021 -2.139 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.766 -2.053 1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.586 -0.324 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.846 -0.261 2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.299 -2.809 3.382 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.749 -1.646 4.572 1.00 0.00 H new ATOM 0 HE ARG A 10 3.866 -2.959 2.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.786 -1.879 5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.278 -2.419 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.919 -3.655 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.658 -3.423 5.329 1.00 0.00 H new ATOM 145 N SER A 11 8.169 0.413 0.179 1.00 0.00 N ATOM 146 CA SER A 11 9.256 1.312 0.534 1.00 0.00 C ATOM 147 C SER A 11 9.058 2.700 -0.077 1.00 0.00 C ATOM 148 O SER A 11 9.317 3.712 0.576 1.00 0.00 O ATOM 149 CB SER A 11 10.596 0.713 0.100 1.00 0.00 C ATOM 150 OG SER A 11 10.804 -0.543 0.721 1.00 0.00 O ATOM 0 H SER A 11 8.467 -0.435 -0.303 1.00 0.00 H new ATOM 0 HA SER A 11 9.258 1.431 1.617 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.615 0.597 -0.984 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.407 1.393 0.362 1.00 0.00 H new ATOM 0 HG SER A 11 10.172 -1.197 0.356 1.00 0.00 H new ATOM 156 N ASN A 12 8.581 2.750 -1.316 1.00 0.00 N ATOM 157 CA ASN A 12 8.325 4.031 -1.969 1.00 0.00 C ATOM 158 C ASN A 12 6.957 4.580 -1.572 1.00 0.00 C ATOM 159 O ASN A 12 6.751 5.794 -1.535 1.00 0.00 O ATOM 160 CB ASN A 12 8.462 3.914 -3.495 1.00 0.00 C ATOM 161 CG ASN A 12 7.594 2.834 -4.123 1.00 0.00 C ATOM 162 OD1 ASN A 12 6.485 2.561 -3.677 1.00 0.00 O ATOM 163 ND2 ASN A 12 8.116 2.196 -5.155 1.00 0.00 N ATOM 0 H ASN A 12 8.366 1.930 -1.883 1.00 0.00 H new ATOM 0 HA ASN A 12 9.079 4.740 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.209 4.874 -3.945 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.505 3.713 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.593 1.447 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.042 2.452 -5.498 1.00 0.00 H new ATOM 170 N PHE A 13 6.041 3.680 -1.240 1.00 0.00 N ATOM 171 CA PHE A 13 4.710 4.061 -0.771 1.00 0.00 C ATOM 172 C PHE A 13 4.811 4.834 0.536 1.00 0.00 C ATOM 173 O PHE A 13 4.124 5.836 0.735 1.00 0.00 O ATOM 174 CB PHE A 13 3.829 2.819 -0.580 1.00 0.00 C ATOM 175 CG PHE A 13 2.465 3.108 -0.012 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.447 3.582 -0.825 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.199 2.903 1.336 1.00 0.00 C ATOM 178 CE1 PHE A 13 0.195 3.851 -0.306 1.00 0.00 C ATOM 179 CE2 PHE A 13 0.948 3.172 1.859 1.00 0.00 C ATOM 180 CZ PHE A 13 -0.055 3.643 1.037 1.00 0.00 C ATOM 0 H PHE A 13 6.195 2.673 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 13 4.251 4.701 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.711 2.320 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.344 2.121 0.080 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.635 3.743 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.979 2.529 1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.588 4.224 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.756 3.014 2.910 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.034 3.849 1.443 1.00 0.00 H new ATOM 190 N ASN A 14 5.688 4.371 1.410 1.00 0.00 N ATOM 191 CA ASN A 14 5.914 5.019 2.693 1.00 0.00 C ATOM 192 C ASN A 14 6.555 6.393 2.513 1.00 0.00 C ATOM 193 O ASN A 14 6.535 7.216 3.424 1.00 0.00 O ATOM 194 CB ASN A 14 6.784 4.132 3.588 1.00 0.00 C ATOM 195 CG ASN A 14 6.012 2.955 4.154 1.00 0.00 C ATOM 196 OD1 ASN A 14 4.807 3.040 4.375 1.00 0.00 O ATOM 197 ND2 ASN A 14 6.700 1.847 4.394 1.00 0.00 N ATOM 0 H ASN A 14 6.260 3.541 1.253 1.00 0.00 H new ATOM 0 HA ASN A 14 4.947 5.164 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.635 3.764 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.186 4.728 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.229 1.027 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.700 1.815 4.197 1.00 0.00 H new ATOM 204 N VAL A 15 7.114 6.639 1.331 1.00 0.00 N ATOM 205 CA VAL A 15 7.695 7.938 1.020 1.00 0.00 C ATOM 206 C VAL A 15 6.588 8.911 0.636 1.00 0.00 C ATOM 207 O VAL A 15 6.531 10.036 1.124 1.00 0.00 O ATOM 208 CB VAL A 15 8.737 7.850 -0.127 1.00 0.00 C ATOM 209 CG1 VAL A 15 9.289 9.226 -0.474 1.00 0.00 C ATOM 210 CG2 VAL A 15 9.877 6.917 0.248 1.00 0.00 C ATOM 0 H VAL A 15 7.176 5.956 0.576 1.00 0.00 H new ATOM 0 HA VAL A 15 8.215 8.292 1.910 1.00 0.00 H new ATOM 0 HB VAL A 15 8.227 7.449 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.016 9.133 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.474 9.875 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.773 9.656 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.594 6.872 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.373 7.290 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.482 5.919 0.440 1.00 0.00 H new ATOM 220 N CYS A 16 5.694 8.446 -0.225 1.00 0.00 N ATOM 221 CA CYS A 16 4.555 9.240 -0.666 1.00 0.00 C ATOM 222 C CYS A 16 3.578 9.465 0.486 1.00 0.00 C ATOM 223 O CYS A 16 2.914 10.496 0.563 1.00 0.00 O ATOM 224 CB CYS A 16 3.854 8.527 -1.826 1.00 0.00 C ATOM 225 SG CYS A 16 2.501 9.474 -2.598 1.00 0.00 S ATOM 0 H CYS A 16 5.737 7.513 -0.636 1.00 0.00 H new ATOM 0 HA CYS A 16 4.911 10.213 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.595 8.290 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.455 7.579 -1.464 1.00 0.00 H new ATOM 230 N ARG A 17 3.517 8.504 1.396 1.00 0.00 N ATOM 231 CA ARG A 17 2.591 8.572 2.514 1.00 0.00 C ATOM 232 C ARG A 17 3.272 9.171 3.745 1.00 0.00 C ATOM 233 O ARG A 17 2.710 9.192 4.838 1.00 0.00 O ATOM 234 CB ARG A 17 2.038 7.173 2.814 1.00 0.00 C ATOM 235 CG ARG A 17 0.940 7.153 3.869 1.00 0.00 C ATOM 236 CD ARG A 17 -0.159 8.160 3.558 1.00 0.00 C ATOM 237 NE ARG A 17 -1.188 8.188 4.595 1.00 0.00 N ATOM 238 CZ ARG A 17 -1.516 9.272 5.289 1.00 0.00 C ATOM 239 NH1 ARG A 17 -0.841 10.406 5.134 1.00 0.00 N ATOM 240 NH2 ARG A 17 -2.516 9.220 6.157 1.00 0.00 N ATOM 0 H ARG A 17 4.099 7.667 1.381 1.00 0.00 H new ATOM 0 HA ARG A 17 1.760 9.225 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.649 6.742 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.856 6.533 3.144 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.511 6.153 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.370 7.374 4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.278 9.153 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.617 7.912 2.600 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.685 7.321 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.062 10.450 4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.102 11.232 5.672 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.031 8.350 6.290 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.771 10.050 6.692 1.00 0.00 H new ATOM 254 N LEU A 18 4.485 9.674 3.559 1.00 0.00 N ATOM 255 CA LEU A 18 5.222 10.299 4.648 1.00 0.00 C ATOM 256 C LEU A 18 4.484 11.555 5.141 1.00 0.00 C ATOM 257 O LEU A 18 4.233 11.684 6.340 1.00 0.00 O ATOM 258 CB LEU A 18 6.667 10.612 4.208 1.00 0.00 C ATOM 259 CG LEU A 18 7.672 10.973 5.317 1.00 0.00 C ATOM 260 CD1 LEU A 18 7.482 12.405 5.792 1.00 0.00 C ATOM 261 CD2 LEU A 18 7.563 10.000 6.483 1.00 0.00 C ATOM 0 H LEU A 18 4.978 9.661 2.666 1.00 0.00 H new ATOM 0 HA LEU A 18 5.280 9.605 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.053 9.746 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.634 11.439 3.499 1.00 0.00 H new ATOM 0 HG LEU A 18 8.674 10.893 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.207 12.628 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.629 13.088 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.473 12.527 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.282 10.275 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.555 10.039 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.773 8.989 6.134 1.00 0.00 H new ATOM 273 N PRO A 19 4.114 12.502 4.247 1.00 0.00 N ATOM 274 CA PRO A 19 3.355 13.678 4.647 1.00 0.00 C ATOM 275 C PRO A 19 1.842 13.453 4.575 1.00 0.00 C ATOM 276 O PRO A 19 1.372 12.320 4.442 1.00 0.00 O ATOM 277 CB PRO A 19 3.795 14.717 3.621 1.00 0.00 C ATOM 278 CG PRO A 19 4.047 13.936 2.374 1.00 0.00 C ATOM 279 CD PRO A 19 4.408 12.531 2.795 1.00 0.00 C ATOM 0 HA PRO A 19 3.540 13.963 5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.024 15.472 3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.693 15.241 3.948 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.163 13.932 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.855 14.384 1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.820 11.789 2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.457 12.312 2.596 1.00 0.00 H new ATOM 287 N GLY A 20 1.086 14.540 4.656 1.00 0.00 N ATOM 288 CA GLY A 20 -0.362 14.465 4.566 1.00 0.00 C ATOM 289 C GLY A 20 -0.846 14.303 3.135 1.00 0.00 C ATOM 290 O GLY A 20 -1.597 15.133 2.625 1.00 0.00 O ATOM 0 H GLY A 20 1.454 15.483 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.717 13.626 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.797 15.368 4.994 1.00 0.00 H new ATOM 294 N THR A 21 -0.393 13.246 2.480 1.00 0.00 N ATOM 295 CA THR A 21 -0.794 12.950 1.115 1.00 0.00 C ATOM 296 C THR A 21 -1.766 11.769 1.104 1.00 0.00 C ATOM 297 O THR A 21 -1.545 10.787 1.814 1.00 0.00 O ATOM 298 CB THR A 21 0.446 12.624 0.254 1.00 0.00 C ATOM 299 OG1 THR A 21 1.411 13.674 0.407 1.00 0.00 O ATOM 300 CG2 THR A 21 0.083 12.478 -1.216 1.00 0.00 C ATOM 0 H THR A 21 0.261 12.572 2.878 1.00 0.00 H new ATOM 0 HA THR A 21 -1.291 13.824 0.695 1.00 0.00 H new ATOM 0 HB THR A 21 0.859 11.674 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.202 13.473 -0.136 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.980 12.249 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.640 11.671 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.352 13.410 -1.578 1.00 0.00 H new ATOM 308 N PRO A 22 -2.871 11.870 0.336 1.00 0.00 N ATOM 309 CA PRO A 22 -3.866 10.794 0.209 1.00 0.00 C ATOM 310 C PRO A 22 -3.231 9.425 -0.026 1.00 0.00 C ATOM 311 O PRO A 22 -2.345 9.274 -0.870 1.00 0.00 O ATOM 312 CB PRO A 22 -4.672 11.223 -1.012 1.00 0.00 C ATOM 313 CG PRO A 22 -4.615 12.709 -0.982 1.00 0.00 C ATOM 314 CD PRO A 22 -3.245 13.053 -0.465 1.00 0.00 C ATOM 0 HA PRO A 22 -4.456 10.672 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.243 10.826 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.699 10.863 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.775 13.127 -1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.392 13.118 -0.335 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.541 13.226 -1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.261 13.959 0.141 1.00 0.00 H new ATOM 322 N GLU A 23 -3.707 8.429 0.706 1.00 0.00 N ATOM 323 CA GLU A 23 -3.099 7.110 0.693 1.00 0.00 C ATOM 324 C GLU A 23 -3.438 6.381 -0.604 1.00 0.00 C ATOM 325 O GLU A 23 -2.581 5.732 -1.208 1.00 0.00 O ATOM 326 CB GLU A 23 -3.581 6.300 1.901 1.00 0.00 C ATOM 327 CG GLU A 23 -3.757 7.142 3.154 1.00 0.00 C ATOM 328 CD GLU A 23 -3.932 6.313 4.407 1.00 0.00 C ATOM 329 OE1 GLU A 23 -5.054 5.831 4.656 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.939 6.159 5.153 1.00 0.00 O ATOM 0 H GLU A 23 -4.518 8.512 1.320 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.016 7.221 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.530 5.823 1.655 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.866 5.502 2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.889 7.791 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.625 7.790 3.030 1.00 0.00 H new ATOM 337 N ALA A 24 -4.689 6.513 -1.038 1.00 0.00 N ATOM 338 CA ALA A 24 -5.154 5.859 -2.257 1.00 0.00 C ATOM 339 C ALA A 24 -4.421 6.400 -3.476 1.00 0.00 C ATOM 340 O ALA A 24 -4.136 5.659 -4.416 1.00 0.00 O ATOM 341 CB ALA A 24 -6.656 6.030 -2.422 1.00 0.00 C ATOM 0 H ALA A 24 -5.400 7.068 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.936 4.794 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.980 5.535 -3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.169 5.587 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.897 7.091 -2.479 1.00 0.00 H new ATOM 347 N LEU A 25 -4.132 7.696 -3.452 1.00 0.00 N ATOM 348 CA LEU A 25 -3.358 8.347 -4.498 1.00 0.00 C ATOM 349 C LEU A 25 -2.039 7.611 -4.713 1.00 0.00 C ATOM 350 O LEU A 25 -1.733 7.164 -5.819 1.00 0.00 O ATOM 351 CB LEU A 25 -3.089 9.802 -4.095 1.00 0.00 C ATOM 352 CG LEU A 25 -2.956 10.799 -5.246 1.00 0.00 C ATOM 353 CD1 LEU A 25 -2.919 12.220 -4.710 1.00 0.00 C ATOM 354 CD2 LEU A 25 -1.714 10.525 -6.078 1.00 0.00 C ATOM 0 H LEU A 25 -4.429 8.324 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.922 8.326 -5.431 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.898 10.134 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.172 9.832 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.827 10.680 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.824 12.920 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.840 12.427 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.067 12.334 -4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.651 11.252 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.829 10.606 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.771 9.520 -6.497 1.00 0.00 H new ATOM 366 N CYS A 26 -1.276 7.471 -3.637 1.00 0.00 N ATOM 367 CA CYS A 26 0.029 6.830 -3.695 1.00 0.00 C ATOM 368 C CYS A 26 -0.103 5.347 -4.033 1.00 0.00 C ATOM 369 O CYS A 26 0.691 4.805 -4.803 1.00 0.00 O ATOM 370 CB CYS A 26 0.748 6.994 -2.357 1.00 0.00 C ATOM 371 SG CYS A 26 0.817 8.713 -1.753 1.00 0.00 S ATOM 0 H CYS A 26 -1.542 7.796 -2.707 1.00 0.00 H new ATOM 0 HA CYS A 26 0.610 7.310 -4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.247 6.378 -1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.765 6.614 -2.454 1.00 0.00 H new ATOM 376 N ALA A 27 -1.110 4.699 -3.459 1.00 0.00 N ATOM 377 CA ALA A 27 -1.321 3.271 -3.658 1.00 0.00 C ATOM 378 C ALA A 27 -1.666 2.953 -5.110 1.00 0.00 C ATOM 379 O ALA A 27 -1.166 1.983 -5.674 1.00 0.00 O ATOM 380 CB ALA A 27 -2.418 2.768 -2.732 1.00 0.00 C ATOM 0 H ALA A 27 -1.796 5.143 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.389 2.759 -3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.566 1.700 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.129 2.945 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.346 3.299 -2.945 1.00 0.00 H new ATOM 386 N THR A 28 -2.509 3.779 -5.716 1.00 0.00 N ATOM 387 CA THR A 28 -2.915 3.574 -7.100 1.00 0.00 C ATOM 388 C THR A 28 -1.733 3.781 -8.048 1.00 0.00 C ATOM 389 O THR A 28 -1.656 3.163 -9.110 1.00 0.00 O ATOM 390 CB THR A 28 -4.065 4.529 -7.491 1.00 0.00 C ATOM 391 OG1 THR A 28 -5.143 4.405 -6.554 1.00 0.00 O ATOM 392 CG2 THR A 28 -4.589 4.225 -8.885 1.00 0.00 C ATOM 0 H THR A 28 -2.925 4.597 -5.271 1.00 0.00 H new ATOM 0 HA THR A 28 -3.268 2.547 -7.189 1.00 0.00 H new ATOM 0 HB THR A 28 -3.669 5.545 -7.479 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.853 4.732 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.397 4.915 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.783 4.340 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.963 3.202 -8.918 1.00 0.00 H new ATOM 400 N TYR A 29 -0.801 4.642 -7.646 1.00 0.00 N ATOM 401 CA TYR A 29 0.360 4.951 -8.472 1.00 0.00 C ATOM 402 C TYR A 29 1.335 3.768 -8.520 1.00 0.00 C ATOM 403 O TYR A 29 1.964 3.518 -9.549 1.00 0.00 O ATOM 404 CB TYR A 29 1.064 6.207 -7.940 1.00 0.00 C ATOM 405 CG TYR A 29 2.106 6.781 -8.880 1.00 0.00 C ATOM 406 CD1 TYR A 29 3.421 6.333 -8.852 1.00 0.00 C ATOM 407 CD2 TYR A 29 1.773 7.774 -9.796 1.00 0.00 C ATOM 408 CE1 TYR A 29 4.372 6.857 -9.707 1.00 0.00 C ATOM 409 CE2 TYR A 29 2.719 8.303 -10.656 1.00 0.00 C ATOM 410 CZ TYR A 29 4.017 7.840 -10.606 1.00 0.00 C ATOM 411 OH TYR A 29 4.962 8.357 -11.462 1.00 0.00 O ATOM 0 H TYR A 29 -0.828 5.137 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 29 0.016 5.141 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.314 6.971 -7.737 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.541 5.967 -6.990 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.705 5.562 -8.150 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.757 8.139 -9.836 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.390 6.498 -9.671 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.443 9.073 -11.361 1.00 0.00 H new ATOM 0 HH TYR A 29 4.549 9.039 -12.031 1.00 0.00 H new ATOM 421 N THR A 30 1.451 3.046 -7.410 1.00 0.00 N ATOM 422 CA THR A 30 2.381 1.925 -7.314 1.00 0.00 C ATOM 423 C THR A 30 1.722 0.611 -7.720 1.00 0.00 C ATOM 424 O THR A 30 2.386 -0.306 -8.207 1.00 0.00 O ATOM 425 CB THR A 30 2.937 1.788 -5.885 1.00 0.00 C ATOM 426 OG1 THR A 30 1.858 1.724 -4.944 1.00 0.00 O ATOM 427 CG2 THR A 30 3.837 2.960 -5.542 1.00 0.00 C ATOM 0 H THR A 30 0.911 3.218 -6.562 1.00 0.00 H new ATOM 0 HA THR A 30 3.199 2.136 -8.003 1.00 0.00 H new ATOM 0 HB THR A 30 3.522 0.870 -5.834 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.219 1.636 -4.037 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.218 2.841 -4.528 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.672 2.994 -6.242 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.268 3.887 -5.610 1.00 0.00 H new ATOM 435 N GLY A 31 0.416 0.522 -7.516 1.00 0.00 N ATOM 436 CA GLY A 31 -0.296 -0.706 -7.809 1.00 0.00 C ATOM 437 C GLY A 31 -0.588 -1.496 -6.549 1.00 0.00 C ATOM 438 O GLY A 31 -0.752 -2.714 -6.586 1.00 0.00 O ATOM 0 H GLY A 31 -0.164 1.278 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.231 -0.472 -8.318 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.295 -1.316 -8.493 1.00 0.00 H new ATOM 442 N CYS A 32 -0.641 -0.788 -5.432 1.00 0.00 N ATOM 443 CA CYS A 32 -0.914 -1.394 -4.138 1.00 0.00 C ATOM 444 C CYS A 32 -2.413 -1.323 -3.838 1.00 0.00 C ATOM 445 O CYS A 32 -3.109 -0.450 -4.362 1.00 0.00 O ATOM 446 CB CYS A 32 -0.104 -0.660 -3.067 1.00 0.00 C ATOM 447 SG CYS A 32 -0.214 -1.381 -1.404 1.00 0.00 S ATOM 0 H CYS A 32 -0.496 0.221 -5.396 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.622 -2.444 -4.145 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.942 -0.642 -3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.441 0.376 -3.022 1.00 0.00 H new ATOM 452 N ILE A 33 -2.920 -2.235 -3.007 1.00 0.00 N ATOM 453 CA ILE A 33 -4.354 -2.272 -2.721 1.00 0.00 C ATOM 454 C ILE A 33 -4.641 -1.964 -1.254 1.00 0.00 C ATOM 455 O ILE A 33 -3.924 -2.409 -0.357 1.00 0.00 O ATOM 456 CB ILE A 33 -4.994 -3.632 -3.094 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.317 -4.788 -2.343 1.00 0.00 C ATOM 458 CG2 ILE A 33 -4.920 -3.851 -4.598 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.959 -6.136 -2.595 1.00 0.00 C ATOM 0 H ILE A 33 -2.369 -2.947 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.804 -1.499 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.042 -3.611 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.268 -4.835 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.341 -4.578 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.373 -4.810 -4.849 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.457 -3.052 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.877 -3.848 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.427 -6.903 -2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.001 -6.108 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.911 -6.368 -3.659 1.00 0.00 H new ATOM 471 N ILE A 34 -5.690 -1.193 -1.023 1.00 0.00 N ATOM 472 CA ILE A 34 -6.100 -0.833 0.324 1.00 0.00 C ATOM 473 C ILE A 34 -7.421 -1.504 0.659 1.00 0.00 C ATOM 474 O ILE A 34 -8.455 -1.198 0.064 1.00 0.00 O ATOM 475 CB ILE A 34 -6.248 0.691 0.489 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.937 1.387 0.134 1.00 0.00 C ATOM 477 CG2 ILE A 34 -6.671 1.035 1.912 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.037 2.894 0.128 1.00 0.00 C ATOM 0 H ILE A 34 -6.278 -0.801 -1.758 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.322 -1.175 1.006 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.024 1.043 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.170 1.085 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.610 1.049 -0.849 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.771 2.116 2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.627 0.561 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.918 0.675 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.069 3.322 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.781 3.206 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.334 3.243 1.117 1.00 0.00 H new ATOM 490 N ILE A 35 -7.373 -2.430 1.598 1.00 0.00 N ATOM 491 CA ILE A 35 -8.558 -3.159 2.011 1.00 0.00 C ATOM 492 C ILE A 35 -9.017 -2.676 3.381 1.00 0.00 C ATOM 493 O ILE A 35 -8.200 -2.431 4.269 1.00 0.00 O ATOM 494 CB ILE A 35 -8.309 -4.685 2.048 1.00 0.00 C ATOM 495 CG1 ILE A 35 -7.168 -5.023 3.013 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.006 -5.201 0.645 1.00 0.00 C ATOM 497 CD1 ILE A 35 -6.921 -6.510 3.170 1.00 0.00 C ATOM 0 H ILE A 35 -6.521 -2.696 2.092 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.338 -2.966 1.274 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.211 -5.178 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.253 -4.547 2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.393 -4.596 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.832 -6.276 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.852 -4.993 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.117 -4.703 0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.099 -6.671 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.822 -6.990 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.664 -6.940 2.202 1.00 0.00 H new ATOM 509 N PRO A 36 -10.330 -2.504 3.560 1.00 0.00 N ATOM 510 CA PRO A 36 -10.910 -2.041 4.826 1.00 0.00 C ATOM 511 C PRO A 36 -10.660 -3.005 5.991 1.00 0.00 C ATOM 512 O PRO A 36 -10.794 -2.624 7.155 1.00 0.00 O ATOM 513 CB PRO A 36 -12.410 -1.951 4.529 1.00 0.00 C ATOM 514 CG PRO A 36 -12.516 -1.927 3.042 1.00 0.00 C ATOM 515 CD PRO A 36 -11.356 -2.725 2.534 1.00 0.00 C ATOM 0 HA PRO A 36 -10.462 -1.099 5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.946 -2.803 4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.845 -1.054 4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.461 -2.358 2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.482 -0.905 2.665 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.606 -3.781 2.434 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.027 -2.380 1.553 1.00 0.00 H new ATOM 523 N GLY A 37 -10.314 -4.249 5.669 1.00 0.00 N ATOM 524 CA GLY A 37 -10.015 -5.241 6.688 1.00 0.00 C ATOM 525 C GLY A 37 -8.835 -4.860 7.567 1.00 0.00 C ATOM 526 O GLY A 37 -8.072 -3.945 7.245 1.00 0.00 O ATOM 0 H GLY A 37 -10.235 -4.590 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.895 -5.385 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.807 -6.196 6.206 1.00 0.00 H new ATOM 530 N ALA A 38 -8.676 -5.576 8.671 1.00 0.00 N ATOM 531 CA ALA A 38 -7.640 -5.278 9.645 1.00 0.00 C ATOM 532 C ALA A 38 -6.471 -6.242 9.500 1.00 0.00 C ATOM 533 O ALA A 38 -5.349 -5.940 9.904 1.00 0.00 O ATOM 534 CB ALA A 38 -8.206 -5.332 11.058 1.00 0.00 C ATOM 0 H ALA A 38 -9.260 -6.376 8.915 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.274 -4.268 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.417 -5.106 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.007 -4.599 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.600 -6.329 11.254 1.00 0.00 H new ATOM 540 N THR A 39 -6.735 -7.404 8.925 1.00 0.00 N ATOM 541 CA THR A 39 -5.685 -8.380 8.699 1.00 0.00 C ATOM 542 C THR A 39 -5.379 -8.502 7.210 1.00 0.00 C ATOM 543 O THR A 39 -6.123 -7.998 6.368 1.00 0.00 O ATOM 544 CB THR A 39 -6.049 -9.766 9.284 1.00 0.00 C ATOM 545 OG1 THR A 39 -4.911 -10.639 9.229 1.00 0.00 O ATOM 546 CG2 THR A 39 -7.214 -10.406 8.537 1.00 0.00 C ATOM 0 H THR A 39 -7.661 -7.692 8.609 1.00 0.00 H new ATOM 0 HA THR A 39 -4.795 -8.024 9.219 1.00 0.00 H new ATOM 0 HB THR A 39 -6.351 -9.614 10.320 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.151 -11.513 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.439 -11.377 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.091 -9.762 8.610 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.946 -10.536 7.488 1.00 0.00 H new ATOM 554 N CYS A 40 -4.271 -9.150 6.894 1.00 0.00 N ATOM 555 CA CYS A 40 -3.865 -9.342 5.517 1.00 0.00 C ATOM 556 C CYS A 40 -3.031 -10.613 5.423 1.00 0.00 C ATOM 557 O CYS A 40 -2.092 -10.789 6.202 1.00 0.00 O ATOM 558 CB CYS A 40 -3.063 -8.128 5.025 1.00 0.00 C ATOM 559 SG CYS A 40 -2.833 -8.050 3.217 1.00 0.00 S ATOM 0 H CYS A 40 -3.634 -9.554 7.580 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.746 -9.441 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.567 -7.219 5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.083 -8.139 5.502 1.00 0.00 H new ATOM 564 N PRO A 41 -3.381 -11.531 4.505 1.00 0.00 N ATOM 565 CA PRO A 41 -2.668 -12.805 4.333 1.00 0.00 C ATOM 566 C PRO A 41 -1.173 -12.612 4.106 1.00 0.00 C ATOM 567 O PRO A 41 -0.765 -11.763 3.311 1.00 0.00 O ATOM 568 CB PRO A 41 -3.310 -13.427 3.088 1.00 0.00 C ATOM 569 CG PRO A 41 -4.079 -12.322 2.443 1.00 0.00 C ATOM 570 CD PRO A 41 -4.492 -11.403 3.554 1.00 0.00 C ATOM 0 HA PRO A 41 -2.749 -13.426 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.552 -13.824 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.964 -14.256 3.356 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.467 -11.797 1.709 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.949 -12.710 1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.613 -10.377 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.441 -11.704 3.997 1.00 0.00 H new ATOM 578 N GLY A 42 -0.370 -13.422 4.792 1.00 0.00 N ATOM 579 CA GLY A 42 1.076 -13.267 4.760 1.00 0.00 C ATOM 580 C GLY A 42 1.669 -13.398 3.371 1.00 0.00 C ATOM 581 O GLY A 42 2.707 -12.807 3.080 1.00 0.00 O ATOM 0 H GLY A 42 -0.699 -14.191 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.338 -12.290 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.528 -14.015 5.411 1.00 0.00 H new ATOM 585 N ASP A 43 1.005 -14.161 2.513 1.00 0.00 N ATOM 586 CA ASP A 43 1.472 -14.379 1.148 1.00 0.00 C ATOM 587 C ASP A 43 1.456 -13.085 0.341 1.00 0.00 C ATOM 588 O ASP A 43 2.159 -12.958 -0.662 1.00 0.00 O ATOM 589 CB ASP A 43 0.599 -15.422 0.448 1.00 0.00 C ATOM 590 CG ASP A 43 0.539 -16.734 1.199 1.00 0.00 C ATOM 591 OD1 ASP A 43 -0.301 -16.852 2.114 1.00 0.00 O ATOM 592 OD2 ASP A 43 1.325 -17.647 0.878 1.00 0.00 O ATOM 0 H ASP A 43 0.135 -14.643 2.739 1.00 0.00 H new ATOM 0 HA ASP A 43 2.499 -14.739 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.411 -15.027 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.987 -15.600 -0.555 1.00 0.00 H new ATOM 597 N TYR A 44 0.647 -12.129 0.776 1.00 0.00 N ATOM 598 CA TYR A 44 0.520 -10.856 0.079 1.00 0.00 C ATOM 599 C TYR A 44 0.622 -9.714 1.089 1.00 0.00 C ATOM 600 O TYR A 44 0.142 -8.605 0.858 1.00 0.00 O ATOM 601 CB TYR A 44 -0.821 -10.806 -0.664 1.00 0.00 C ATOM 602 CG TYR A 44 -0.862 -9.821 -1.815 1.00 0.00 C ATOM 603 CD1 TYR A 44 -0.267 -10.128 -3.033 1.00 0.00 C ATOM 604 CD2 TYR A 44 -1.503 -8.594 -1.689 1.00 0.00 C ATOM 605 CE1 TYR A 44 -0.310 -9.241 -4.091 1.00 0.00 C ATOM 606 CE2 TYR A 44 -1.548 -7.700 -2.742 1.00 0.00 C ATOM 607 CZ TYR A 44 -0.951 -8.029 -3.941 1.00 0.00 C ATOM 608 OH TYR A 44 -0.995 -7.148 -4.996 1.00 0.00 O ATOM 0 H TYR A 44 0.067 -12.211 1.611 1.00 0.00 H new ATOM 0 HA TYR A 44 1.323 -10.751 -0.651 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.049 -11.801 -1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.607 -10.549 0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.237 -11.075 -3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.974 -8.335 -0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.156 -9.495 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.048 -6.749 -2.627 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.484 -6.342 -4.729 1.00 0.00 H new ATOM 618 N ALA A 45 1.263 -9.999 2.216 1.00 0.00 N ATOM 619 CA ALA A 45 1.388 -9.021 3.284 1.00 0.00 C ATOM 620 C ALA A 45 2.653 -8.191 3.124 1.00 0.00 C ATOM 621 O ALA A 45 3.713 -8.550 3.638 1.00 0.00 O ATOM 622 CB ALA A 45 1.372 -9.704 4.644 1.00 0.00 C ATOM 0 H ALA A 45 1.703 -10.898 2.412 1.00 0.00 H new ATOM 0 HA ALA A 45 0.532 -8.350 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.467 -8.954 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.433 -10.244 4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.205 -10.404 4.709 1.00 0.00 H new ATOM 628 N ASN A 46 2.536 -7.097 2.393 1.00 0.00 N ATOM 629 CA ASN A 46 3.633 -6.164 2.214 1.00 0.00 C ATOM 630 C ASN A 46 3.051 -4.826 1.793 1.00 0.00 C ATOM 631 O ASN A 46 1.898 -4.546 2.181 1.00 0.00 O ATOM 632 CB ASN A 46 4.614 -6.675 1.156 1.00 0.00 C ATOM 633 CG ASN A 46 5.996 -6.062 1.296 1.00 0.00 C ATOM 634 OD1 ASN A 46 6.887 -6.637 1.922 1.00 0.00 O ATOM 635 ND2 ASN A 46 6.178 -4.878 0.745 1.00 0.00 N ATOM 636 OXT ASN A 46 3.733 -4.048 1.101 1.00 0.00 O ATOM 0 H ASN A 46 1.679 -6.831 1.908 1.00 0.00 H new ATOM 0 HA ASN A 46 4.184 -6.058 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.692 -7.760 1.232 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.221 -6.453 0.164 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.080 -4.409 0.830 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.417 -4.431 0.233 1.00 0.00 H new TER 643 ASN A 46