USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -0.435 K(o=-0.44,f=-3.5) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 150:sc= -0.697 USER MOD Set 2.2: A 53 THR OG1 : rot 138:sc= -0.193 USER MOD Single : A 1 THR N :NH3+ 151:sc= 0.224 (180deg=0.0264) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 2 THR OG1 : rot -102:sc= -0.525 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc=-0.00058 (180deg=-0.0494) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 40:sc= -0.486 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -2.66 K(o=-2.7,f=-9.9!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 37 ASN : amide:sc= 0.0931 K(o=0.093,f=-1.2) USER MOD Single : A 45 TYR OH : rot -120:sc= -0.849 USER MOD Single : A 49 THR OG1 : rot -55:sc= 0.575 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.93 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 14.111 6.179 3.190 1.00 0.00 N ATOM 2 CA THR A 1 13.010 6.265 2.187 1.00 0.00 C ATOM 3 C THR A 1 12.528 4.861 1.809 1.00 0.00 C ATOM 4 O THR A 1 12.818 4.363 0.737 1.00 0.00 O ATOM 5 CB THR A 1 13.631 6.967 0.977 1.00 0.00 C ATOM 6 OG1 THR A 1 14.317 8.133 1.410 1.00 0.00 O ATOM 7 CG2 THR A 1 12.529 7.357 -0.009 1.00 0.00 C ATOM 0 H1 THR A 1 14.741 7.000 3.085 1.00 0.00 H new ATOM 0 H2 THR A 1 13.708 6.173 4.149 1.00 0.00 H new ATOM 0 H3 THR A 1 14.653 5.305 3.037 1.00 0.00 H new ATOM 0 HA THR A 1 12.143 6.804 2.569 1.00 0.00 H new ATOM 0 HB THR A 1 14.333 6.294 0.485 1.00 0.00 H new ATOM 0 HG1 THR A 1 14.717 8.583 0.637 1.00 0.00 H new ATOM 0 HG21 THR A 1 12.972 7.857 -0.870 1.00 0.00 H new ATOM 0 HG22 THR A 1 12.003 6.461 -0.340 1.00 0.00 H new ATOM 0 HG23 THR A 1 11.825 8.031 0.480 1.00 0.00 H new ATOM 17 N THR A 2 11.796 4.221 2.686 1.00 0.00 N ATOM 18 CA THR A 2 11.291 2.846 2.388 1.00 0.00 C ATOM 19 C THR A 2 9.975 2.920 1.607 1.00 0.00 C ATOM 20 O THR A 2 9.567 3.975 1.160 1.00 0.00 O ATOM 21 CB THR A 2 11.083 2.184 3.756 1.00 0.00 C ATOM 22 OG1 THR A 2 10.599 0.862 3.568 1.00 0.00 O ATOM 23 CG2 THR A 2 10.074 2.983 4.588 1.00 0.00 C ATOM 0 H THR A 2 11.526 4.592 3.597 1.00 0.00 H new ATOM 0 HA THR A 2 11.987 2.277 1.772 1.00 0.00 H new ATOM 0 HB THR A 2 12.035 2.160 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 2 9.634 0.840 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.937 2.500 5.556 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.447 3.996 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.119 3.021 4.064 1.00 0.00 H new ATOM 31 N PHE A 3 9.316 1.802 1.437 1.00 0.00 N ATOM 32 CA PHE A 3 8.027 1.792 0.677 1.00 0.00 C ATOM 33 C PHE A 3 6.885 2.302 1.562 1.00 0.00 C ATOM 34 O PHE A 3 6.920 2.167 2.771 1.00 0.00 O ATOM 35 CB PHE A 3 7.798 0.324 0.292 1.00 0.00 C ATOM 36 CG PHE A 3 8.980 -0.191 -0.503 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.432 0.513 -1.626 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.623 -1.372 -0.113 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.526 0.036 -2.358 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.717 -1.848 -0.845 1.00 0.00 C ATOM 41 CZ PHE A 3 11.169 -1.144 -1.968 1.00 0.00 C ATOM 0 H PHE A 3 9.615 0.894 1.792 1.00 0.00 H new ATOM 0 HA PHE A 3 8.062 2.440 -0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.662 -0.279 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.885 0.231 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.937 1.424 -1.927 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.275 -1.916 0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.874 0.579 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.213 -2.759 -0.544 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.013 -1.512 -2.533 1.00 0.00 H new ATOM 51 N LYS A 4 5.876 2.890 0.967 1.00 0.00 N ATOM 52 CA LYS A 4 4.729 3.415 1.770 1.00 0.00 C ATOM 53 C LYS A 4 3.406 3.179 1.039 1.00 0.00 C ATOM 54 O LYS A 4 3.358 3.137 -0.173 1.00 0.00 O ATOM 55 CB LYS A 4 4.988 4.916 1.904 1.00 0.00 C ATOM 56 CG LYS A 4 4.005 5.515 2.913 1.00 0.00 C ATOM 57 CD LYS A 4 4.289 7.009 3.077 1.00 0.00 C ATOM 58 CE LYS A 4 2.973 7.761 3.300 1.00 0.00 C ATOM 59 NZ LYS A 4 2.924 8.024 4.766 1.00 0.00 N ATOM 0 H LYS A 4 5.798 3.029 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 4 4.654 2.918 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.013 5.091 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.874 5.403 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.981 5.364 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.099 5.008 3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.960 7.171 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.793 7.393 2.190 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.948 8.690 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.119 7.166 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.012 8.461 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.028 7.128 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.698 8.667 5.029 1.00 0.00 H new ATOM 73 N LEU A 5 2.332 3.043 1.774 1.00 0.00 N ATOM 74 CA LEU A 5 0.997 2.829 1.139 1.00 0.00 C ATOM 75 C LEU A 5 -0.084 3.519 1.971 1.00 0.00 C ATOM 76 O LEU A 5 -0.047 3.503 3.187 1.00 0.00 O ATOM 77 CB LEU A 5 0.780 1.311 1.127 1.00 0.00 C ATOM 78 CG LEU A 5 -0.111 0.923 -0.070 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.543 -0.210 -0.870 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.480 0.458 0.436 1.00 0.00 C ATOM 0 H LEU A 5 2.323 3.071 2.794 1.00 0.00 H new ATOM 0 HA LEU A 5 0.950 3.243 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.739 0.797 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.312 0.993 2.059 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.233 1.794 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.095 -0.476 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.514 0.119 -1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.676 -1.080 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.108 0.184 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.353 -0.407 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.955 1.265 0.994 1.00 0.00 H new ATOM 92 N ILE A 6 -1.039 4.130 1.323 1.00 0.00 N ATOM 93 CA ILE A 6 -2.125 4.832 2.066 1.00 0.00 C ATOM 94 C ILE A 6 -3.448 4.078 1.896 1.00 0.00 C ATOM 95 O ILE A 6 -3.899 3.836 0.792 1.00 0.00 O ATOM 96 CB ILE A 6 -2.187 6.224 1.430 1.00 0.00 C ATOM 97 CG1 ILE A 6 -0.853 6.949 1.678 1.00 0.00 C ATOM 98 CG2 ILE A 6 -3.343 7.036 2.031 1.00 0.00 C ATOM 99 CD1 ILE A 6 -0.627 7.156 3.181 1.00 0.00 C ATOM 0 H ILE A 6 -1.114 4.173 0.307 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.941 4.889 3.139 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.358 6.123 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.032 6.368 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.855 7.912 1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.374 8.023 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.285 6.519 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.192 7.143 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.321 7.670 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.438 7.757 3.592 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.603 6.188 3.682 1.00 0.00 H new ATOM 111 N ILE A 7 -4.066 3.706 2.987 1.00 0.00 N ATOM 112 CA ILE A 7 -5.360 2.963 2.908 1.00 0.00 C ATOM 113 C ILE A 7 -6.510 3.936 2.627 1.00 0.00 C ATOM 114 O ILE A 7 -6.816 4.797 3.430 1.00 0.00 O ATOM 115 CB ILE A 7 -5.526 2.306 4.284 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.352 1.358 4.544 1.00 0.00 C ATOM 117 CG2 ILE A 7 -6.833 1.509 4.322 1.00 0.00 C ATOM 118 CD1 ILE A 7 -4.422 0.840 5.982 1.00 0.00 C ATOM 0 H ILE A 7 -3.729 3.885 3.933 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.368 2.226 2.105 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.549 3.081 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.383 0.523 3.844 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.408 1.877 4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.947 1.044 5.301 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.673 2.179 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.810 0.736 3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.586 0.165 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.370 1.680 6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.360 0.305 6.131 1.00 0.00 H new ATOM 130 N ASN A 8 -7.149 3.798 1.493 1.00 0.00 N ATOM 131 CA ASN A 8 -8.284 4.706 1.150 1.00 0.00 C ATOM 132 C ASN A 8 -9.605 3.933 1.193 1.00 0.00 C ATOM 133 O ASN A 8 -10.370 3.938 0.247 1.00 0.00 O ATOM 134 CB ASN A 8 -7.991 5.193 -0.271 1.00 0.00 C ATOM 135 CG ASN A 8 -7.054 6.403 -0.219 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.364 6.613 0.760 1.00 0.00 O ATOM 137 ND2 ASN A 8 -6.999 7.213 -1.240 1.00 0.00 N ATOM 0 H ASN A 8 -6.932 3.093 0.788 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.377 5.536 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.535 4.392 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.921 5.462 -0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.378 8.022 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.577 7.038 -2.062 1.00 0.00 H new ATOM 144 N GLY A 9 -9.872 3.268 2.288 1.00 0.00 N ATOM 145 CA GLY A 9 -11.139 2.489 2.407 1.00 0.00 C ATOM 146 C GLY A 9 -12.278 3.427 2.810 1.00 0.00 C ATOM 147 O GLY A 9 -12.060 4.456 3.421 1.00 0.00 O ATOM 0 H GLY A 9 -9.265 3.232 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.371 2.004 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.024 1.699 3.149 1.00 0.00 H new ATOM 151 N LYS A 10 -13.494 3.080 2.466 1.00 0.00 N ATOM 152 CA LYS A 10 -14.663 3.945 2.817 1.00 0.00 C ATOM 153 C LYS A 10 -14.700 4.225 4.324 1.00 0.00 C ATOM 154 O LYS A 10 -15.187 5.250 4.762 1.00 0.00 O ATOM 155 CB LYS A 10 -15.897 3.146 2.394 1.00 0.00 C ATOM 156 CG LYS A 10 -15.892 2.966 0.875 1.00 0.00 C ATOM 157 CD LYS A 10 -17.273 2.499 0.411 1.00 0.00 C ATOM 158 CE LYS A 10 -18.228 3.694 0.367 1.00 0.00 C ATOM 159 NZ LYS A 10 -19.089 3.454 -0.825 1.00 0.00 N ATOM 0 H LYS A 10 -13.728 2.229 1.954 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.611 4.913 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.900 2.173 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.804 3.664 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.632 3.906 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.134 2.237 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.201 2.041 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.658 1.737 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.823 3.758 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.682 4.633 0.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.772 4.233 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.496 3.405 -1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.602 2.557 -0.708 1.00 0.00 H new ATOM 173 N THR A 11 -14.186 3.318 5.116 1.00 0.00 N ATOM 174 CA THR A 11 -14.185 3.520 6.595 1.00 0.00 C ATOM 175 C THR A 11 -12.776 3.309 7.156 1.00 0.00 C ATOM 176 O THR A 11 -12.317 4.056 7.999 1.00 0.00 O ATOM 177 CB THR A 11 -15.144 2.461 7.141 1.00 0.00 C ATOM 178 OG1 THR A 11 -16.297 2.396 6.313 1.00 0.00 O ATOM 179 CG2 THR A 11 -15.556 2.829 8.567 1.00 0.00 C ATOM 0 H THR A 11 -13.766 2.444 4.800 1.00 0.00 H new ATOM 0 HA THR A 11 -14.490 4.528 6.874 1.00 0.00 H new ATOM 0 HB THR A 11 -14.648 1.491 7.149 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.912 1.717 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.239 2.073 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.670 2.877 9.201 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.052 3.799 8.563 1.00 0.00 H new ATOM 187 N LEU A 12 -12.091 2.296 6.691 1.00 0.00 N ATOM 188 CA LEU A 12 -10.709 2.027 7.190 1.00 0.00 C ATOM 189 C LEU A 12 -9.696 2.886 6.428 1.00 0.00 C ATOM 190 O LEU A 12 -9.794 3.055 5.227 1.00 0.00 O ATOM 191 CB LEU A 12 -10.470 0.543 6.913 1.00 0.00 C ATOM 192 CG LEU A 12 -11.473 -0.293 7.709 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.826 -1.555 6.920 1.00 0.00 C ATOM 194 CD2 LEU A 12 -10.853 -0.689 9.051 1.00 0.00 C ATOM 0 H LEU A 12 -12.430 1.642 5.986 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.597 2.267 8.247 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.576 0.340 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.452 0.270 7.190 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.377 0.292 7.883 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.541 -2.151 7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.266 -1.275 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.923 -2.140 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.567 -1.285 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.950 -1.274 8.876 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.600 0.209 9.614 1.00 0.00 H new ATOM 206 N LYS A 13 -8.726 3.429 7.119 1.00 0.00 N ATOM 207 CA LYS A 13 -7.702 4.280 6.442 1.00 0.00 C ATOM 208 C LYS A 13 -6.421 4.331 7.277 1.00 0.00 C ATOM 209 O LYS A 13 -6.298 3.657 8.283 1.00 0.00 O ATOM 210 CB LYS A 13 -8.339 5.667 6.350 1.00 0.00 C ATOM 211 CG LYS A 13 -9.217 5.744 5.100 1.00 0.00 C ATOM 212 CD LYS A 13 -9.181 7.166 4.537 1.00 0.00 C ATOM 213 CE LYS A 13 -9.920 8.110 5.489 1.00 0.00 C ATOM 214 NZ LYS A 13 -9.684 9.473 4.937 1.00 0.00 N ATOM 0 H LYS A 13 -8.599 3.319 8.125 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.425 3.893 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.937 5.864 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.564 6.433 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.864 5.036 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.242 5.464 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.149 7.493 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.645 7.190 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.984 7.878 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.538 8.024 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.160 10.177 5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.663 9.668 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.064 9.527 3.971 1.00 0.00 H new ATOM 228 N GLY A 14 -5.467 5.128 6.866 1.00 0.00 N ATOM 229 CA GLY A 14 -4.189 5.231 7.627 1.00 0.00 C ATOM 230 C GLY A 14 -3.009 5.056 6.670 1.00 0.00 C ATOM 231 O GLY A 14 -3.187 4.783 5.498 1.00 0.00 O ATOM 0 H GLY A 14 -5.521 5.713 6.032 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.127 6.199 8.125 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.155 4.469 8.406 1.00 0.00 H new ATOM 235 N GLU A 15 -1.807 5.214 7.162 1.00 0.00 N ATOM 236 CA GLU A 15 -0.607 5.060 6.286 1.00 0.00 C ATOM 237 C GLU A 15 0.198 3.829 6.712 1.00 0.00 C ATOM 238 O GLU A 15 0.078 3.360 7.829 1.00 0.00 O ATOM 239 CB GLU A 15 0.216 6.335 6.499 1.00 0.00 C ATOM 240 CG GLU A 15 -0.625 7.573 6.147 1.00 0.00 C ATOM 241 CD GLU A 15 -0.946 8.363 7.418 1.00 0.00 C ATOM 242 OE1 GLU A 15 -1.357 7.747 8.387 1.00 0.00 O ATOM 243 OE2 GLU A 15 -0.775 9.571 7.401 1.00 0.00 O ATOM 0 H GLU A 15 -1.605 5.444 8.135 1.00 0.00 H new ATOM 0 HA GLU A 15 -0.878 4.923 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.547 6.394 7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.112 6.306 5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.082 8.204 5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.549 7.268 5.655 1.00 0.00 H new ATOM 250 N THR A 16 1.016 3.304 5.834 1.00 0.00 N ATOM 251 CA THR A 16 1.831 2.101 6.194 1.00 0.00 C ATOM 252 C THR A 16 3.070 1.998 5.299 1.00 0.00 C ATOM 253 O THR A 16 3.069 2.452 4.173 1.00 0.00 O ATOM 254 CB THR A 16 0.902 0.901 5.970 1.00 0.00 C ATOM 255 OG1 THR A 16 1.604 -0.297 6.271 1.00 0.00 O ATOM 256 CG2 THR A 16 0.429 0.863 4.513 1.00 0.00 C ATOM 0 H THR A 16 1.155 3.654 4.886 1.00 0.00 H new ATOM 0 HA THR A 16 2.192 2.150 7.221 1.00 0.00 H new ATOM 0 HB THR A 16 0.033 0.995 6.621 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.013 -1.066 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.230 0.007 4.366 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.112 1.781 4.282 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.292 0.774 3.853 1.00 0.00 H new ATOM 264 N THR A 17 4.121 1.397 5.796 1.00 0.00 N ATOM 265 CA THR A 17 5.364 1.249 4.980 1.00 0.00 C ATOM 266 C THR A 17 5.968 -0.138 5.192 1.00 0.00 C ATOM 267 O THR A 17 5.717 -0.786 6.190 1.00 0.00 O ATOM 268 CB THR A 17 6.324 2.318 5.501 1.00 0.00 C ATOM 269 OG1 THR A 17 6.380 2.252 6.919 1.00 0.00 O ATOM 270 CG2 THR A 17 5.841 3.703 5.071 1.00 0.00 C ATOM 0 H THR A 17 4.172 1.001 6.735 1.00 0.00 H new ATOM 0 HA THR A 17 5.165 1.363 3.914 1.00 0.00 H new ATOM 0 HB THR A 17 7.317 2.142 5.088 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.997 2.936 7.254 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.529 4.461 5.445 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.803 3.753 3.983 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.846 3.884 5.478 1.00 0.00 H new ATOM 278 N THR A 18 6.766 -0.595 4.261 1.00 0.00 N ATOM 279 CA THR A 18 7.392 -1.934 4.401 1.00 0.00 C ATOM 280 C THR A 18 8.819 -1.889 3.819 1.00 0.00 C ATOM 281 O THR A 18 9.134 -1.059 2.988 1.00 0.00 O ATOM 282 CB THR A 18 6.432 -2.884 3.629 1.00 0.00 C ATOM 283 OG1 THR A 18 5.755 -3.707 4.567 1.00 0.00 O ATOM 284 CG2 THR A 18 7.180 -3.780 2.636 1.00 0.00 C ATOM 0 H THR A 18 7.009 -0.092 3.408 1.00 0.00 H new ATOM 0 HA THR A 18 7.512 -2.274 5.429 1.00 0.00 H new ATOM 0 HB THR A 18 5.733 -2.268 3.063 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.509 -3.174 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.469 -4.425 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.701 -3.159 1.907 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.904 -4.393 3.173 1.00 0.00 H new ATOM 292 N GLU A 19 9.665 -2.792 4.242 1.00 0.00 N ATOM 293 CA GLU A 19 11.059 -2.828 3.711 1.00 0.00 C ATOM 294 C GLU A 19 11.272 -4.127 2.932 1.00 0.00 C ATOM 295 O GLU A 19 11.043 -5.207 3.444 1.00 0.00 O ATOM 296 CB GLU A 19 11.962 -2.780 4.944 1.00 0.00 C ATOM 297 CG GLU A 19 13.182 -1.907 4.646 1.00 0.00 C ATOM 298 CD GLU A 19 14.378 -2.406 5.458 1.00 0.00 C ATOM 299 OE1 GLU A 19 14.269 -2.449 6.672 1.00 0.00 O ATOM 300 OE2 GLU A 19 15.384 -2.736 4.852 1.00 0.00 O ATOM 0 H GLU A 19 9.449 -3.509 4.935 1.00 0.00 H new ATOM 0 HA GLU A 19 11.272 -2.002 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.413 -2.378 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.279 -3.787 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.413 -1.938 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.968 -0.868 4.895 1.00 0.00 H new ATOM 307 N ALA A 20 11.694 -4.030 1.697 1.00 0.00 N ATOM 308 CA ALA A 20 11.906 -5.262 0.880 1.00 0.00 C ATOM 309 C ALA A 20 12.877 -4.990 -0.271 1.00 0.00 C ATOM 310 O ALA A 20 13.359 -3.886 -0.444 1.00 0.00 O ATOM 311 CB ALA A 20 10.520 -5.608 0.337 1.00 0.00 C ATOM 0 H ALA A 20 11.901 -3.152 1.220 1.00 0.00 H new ATOM 0 HA ALA A 20 12.339 -6.073 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.584 -6.506 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.837 -5.785 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.149 -4.780 -0.267 1.00 0.00 H new ATOM 317 N VAL A 21 13.165 -5.997 -1.058 1.00 0.00 N ATOM 318 CA VAL A 21 14.107 -5.818 -2.208 1.00 0.00 C ATOM 319 C VAL A 21 13.599 -4.724 -3.155 1.00 0.00 C ATOM 320 O VAL A 21 14.364 -3.926 -3.664 1.00 0.00 O ATOM 321 CB VAL A 21 14.146 -7.177 -2.922 1.00 0.00 C ATOM 322 CG1 VAL A 21 14.665 -8.246 -1.958 1.00 0.00 C ATOM 323 CG2 VAL A 21 12.738 -7.565 -3.399 1.00 0.00 C ATOM 0 H VAL A 21 12.787 -6.939 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 21 15.098 -5.509 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 21 14.809 -7.104 -3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.693 -9.211 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.669 -7.981 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.003 -8.309 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.778 -8.530 -3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.069 -7.632 -2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.367 -6.809 -4.091 1.00 0.00 H new ATOM 333 N ASP A 22 12.312 -4.684 -3.390 1.00 0.00 N ATOM 334 CA ASP A 22 11.737 -3.649 -4.299 1.00 0.00 C ATOM 335 C ASP A 22 10.314 -3.307 -3.855 1.00 0.00 C ATOM 336 O ASP A 22 9.687 -4.057 -3.131 1.00 0.00 O ATOM 337 CB ASP A 22 11.723 -4.290 -5.690 1.00 0.00 C ATOM 338 CG ASP A 22 13.150 -4.653 -6.108 1.00 0.00 C ATOM 339 OD1 ASP A 22 13.828 -3.790 -6.640 1.00 0.00 O ATOM 340 OD2 ASP A 22 13.539 -5.788 -5.889 1.00 0.00 O ATOM 0 H ASP A 22 11.631 -5.329 -2.988 1.00 0.00 H new ATOM 0 HA ASP A 22 12.314 -2.724 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.098 -5.183 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.286 -3.601 -6.413 1.00 0.00 H new ATOM 345 N ALA A 23 9.802 -2.181 -4.282 1.00 0.00 N ATOM 346 CA ALA A 23 8.415 -1.789 -3.883 1.00 0.00 C ATOM 347 C ALA A 23 7.410 -2.825 -4.388 1.00 0.00 C ATOM 348 O ALA A 23 6.397 -3.070 -3.761 1.00 0.00 O ATOM 349 CB ALA A 23 8.169 -0.431 -4.543 1.00 0.00 C ATOM 0 H ALA A 23 10.283 -1.517 -4.889 1.00 0.00 H new ATOM 0 HA ALA A 23 8.300 -1.734 -2.800 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.167 -0.081 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.905 0.287 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.259 -0.531 -5.625 1.00 0.00 H new ATOM 355 N ALA A 24 7.687 -3.438 -5.513 1.00 0.00 N ATOM 356 CA ALA A 24 6.749 -4.470 -6.060 1.00 0.00 C ATOM 357 C ALA A 24 6.596 -5.616 -5.056 1.00 0.00 C ATOM 358 O ALA A 24 5.502 -6.079 -4.788 1.00 0.00 O ATOM 359 CB ALA A 24 7.404 -4.970 -7.349 1.00 0.00 C ATOM 0 H ALA A 24 8.521 -3.269 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 24 5.753 -4.067 -6.246 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.772 -5.731 -7.807 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.528 -4.137 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.379 -5.399 -7.119 1.00 0.00 H new ATOM 365 N THR A 25 7.688 -6.066 -4.494 1.00 0.00 N ATOM 366 CA THR A 25 7.618 -7.174 -3.495 1.00 0.00 C ATOM 367 C THR A 25 6.830 -6.704 -2.266 1.00 0.00 C ATOM 368 O THR A 25 5.994 -7.420 -1.738 1.00 0.00 O ATOM 369 CB THR A 25 9.085 -7.483 -3.133 1.00 0.00 C ATOM 370 OG1 THR A 25 9.709 -8.131 -4.232 1.00 0.00 O ATOM 371 CG2 THR A 25 9.156 -8.397 -1.900 1.00 0.00 C ATOM 0 H THR A 25 8.626 -5.714 -4.684 1.00 0.00 H new ATOM 0 HA THR A 25 7.112 -8.060 -3.879 1.00 0.00 H new ATOM 0 HB THR A 25 9.597 -6.548 -2.906 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.294 -8.845 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.199 -8.604 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.680 -7.903 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.640 -9.333 -2.111 1.00 0.00 H new ATOM 379 N ALA A 26 7.103 -5.512 -1.802 1.00 0.00 N ATOM 380 CA ALA A 26 6.390 -5.001 -0.598 1.00 0.00 C ATOM 381 C ALA A 26 4.884 -4.929 -0.850 1.00 0.00 C ATOM 382 O ALA A 26 4.111 -5.574 -0.173 1.00 0.00 O ATOM 383 CB ALA A 26 6.949 -3.598 -0.343 1.00 0.00 C ATOM 0 H ALA A 26 7.788 -4.873 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 26 6.540 -5.659 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.464 -3.166 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.023 -3.660 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.759 -2.967 -1.211 1.00 0.00 H new ATOM 389 N GLU A 27 4.462 -4.134 -1.810 1.00 0.00 N ATOM 390 CA GLU A 27 2.994 -3.981 -2.098 1.00 0.00 C ATOM 391 C GLU A 27 2.250 -5.328 -2.092 1.00 0.00 C ATOM 392 O GLU A 27 1.075 -5.384 -1.778 1.00 0.00 O ATOM 393 CB GLU A 27 2.906 -3.302 -3.472 1.00 0.00 C ATOM 394 CG GLU A 27 3.514 -4.196 -4.558 1.00 0.00 C ATOM 395 CD GLU A 27 2.920 -3.819 -5.917 1.00 0.00 C ATOM 396 OE1 GLU A 27 1.752 -3.466 -5.954 1.00 0.00 O ATOM 397 OE2 GLU A 27 3.642 -3.890 -6.898 1.00 0.00 O ATOM 0 H GLU A 27 5.075 -3.581 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 27 2.511 -3.388 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.864 -3.088 -3.711 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.430 -2.346 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.597 -4.079 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.311 -5.244 -4.338 1.00 0.00 H new ATOM 404 N LYS A 28 2.924 -6.410 -2.401 1.00 0.00 N ATOM 405 CA LYS A 28 2.242 -7.738 -2.368 1.00 0.00 C ATOM 406 C LYS A 28 1.921 -8.070 -0.913 1.00 0.00 C ATOM 407 O LYS A 28 0.830 -8.496 -0.586 1.00 0.00 O ATOM 408 CB LYS A 28 3.247 -8.736 -2.947 1.00 0.00 C ATOM 409 CG LYS A 28 3.585 -8.346 -4.387 1.00 0.00 C ATOM 410 CD LYS A 28 4.944 -8.940 -4.772 1.00 0.00 C ATOM 411 CE LYS A 28 4.734 -10.249 -5.536 1.00 0.00 C ATOM 412 NZ LYS A 28 5.773 -10.243 -6.602 1.00 0.00 N ATOM 0 H LYS A 28 3.907 -6.430 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 28 1.312 -7.758 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.153 -8.749 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.831 -9.743 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.812 -8.710 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.610 -7.261 -4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.500 -8.233 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.540 -9.121 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.847 -11.112 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.732 -10.301 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.693 -11.111 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.636 -9.414 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.717 -10.200 -6.167 1.00 0.00 H new ATOM 426 N VAL A 29 2.864 -7.837 -0.035 1.00 0.00 N ATOM 427 CA VAL A 29 2.622 -8.092 1.417 1.00 0.00 C ATOM 428 C VAL A 29 1.616 -7.058 1.927 1.00 0.00 C ATOM 429 O VAL A 29 0.792 -7.348 2.773 1.00 0.00 O ATOM 430 CB VAL A 29 4.005 -7.922 2.084 1.00 0.00 C ATOM 431 CG1 VAL A 29 3.868 -7.679 3.597 1.00 0.00 C ATOM 432 CG2 VAL A 29 4.831 -9.190 1.854 1.00 0.00 C ATOM 0 H VAL A 29 3.792 -7.481 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 29 2.210 -9.078 1.630 1.00 0.00 H new ATOM 0 HB VAL A 29 4.498 -7.057 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.858 -7.563 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.286 -6.773 3.769 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.363 -8.528 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.809 -9.077 2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.315 -10.045 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.958 -9.352 0.784 1.00 0.00 H new ATOM 442 N LEU A 30 1.684 -5.853 1.422 1.00 0.00 N ATOM 443 CA LEU A 30 0.731 -4.806 1.882 1.00 0.00 C ATOM 444 C LEU A 30 -0.671 -5.212 1.444 1.00 0.00 C ATOM 445 O LEU A 30 -1.639 -4.980 2.135 1.00 0.00 O ATOM 446 CB LEU A 30 1.184 -3.504 1.200 1.00 0.00 C ATOM 447 CG LEU A 30 2.449 -2.881 1.863 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.050 -1.947 3.000 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.410 -3.934 2.430 1.00 0.00 C ATOM 0 H LEU A 30 2.355 -5.552 0.715 1.00 0.00 H new ATOM 0 HA LEU A 30 0.716 -4.678 2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.392 -3.704 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.369 -2.780 1.232 1.00 0.00 H new ATOM 0 HG LEU A 30 2.963 -2.337 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.946 -1.521 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.424 -1.145 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.495 -2.507 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.271 -3.437 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.896 -4.525 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.747 -4.589 1.627 1.00 0.00 H new ATOM 461 N LYS A 31 -0.776 -5.867 0.312 1.00 0.00 N ATOM 462 CA LYS A 31 -2.111 -6.345 -0.162 1.00 0.00 C ATOM 463 C LYS A 31 -2.659 -7.318 0.873 1.00 0.00 C ATOM 464 O LYS A 31 -3.810 -7.264 1.260 1.00 0.00 O ATOM 465 CB LYS A 31 -1.833 -7.095 -1.465 1.00 0.00 C ATOM 466 CG LYS A 31 -3.088 -7.088 -2.347 1.00 0.00 C ATOM 467 CD LYS A 31 -4.110 -8.107 -1.819 1.00 0.00 C ATOM 468 CE LYS A 31 -3.483 -9.508 -1.783 1.00 0.00 C ATOM 469 NZ LYS A 31 -4.421 -10.380 -2.544 1.00 0.00 N ATOM 0 H LYS A 31 0.006 -6.091 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.826 -5.535 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.003 -6.627 -1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.535 -8.121 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.529 -6.091 -2.358 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.820 -7.329 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.439 -7.821 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.994 -8.111 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.492 -9.507 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.364 -9.859 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.055 -11.353 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.355 -10.369 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.509 -10.028 -3.518 1.00 0.00 H new ATOM 483 N GLN A 32 -1.810 -8.198 1.339 1.00 0.00 N ATOM 484 CA GLN A 32 -2.231 -9.185 2.377 1.00 0.00 C ATOM 485 C GLN A 32 -2.791 -8.434 3.591 1.00 0.00 C ATOM 486 O GLN A 32 -3.789 -8.821 4.168 1.00 0.00 O ATOM 487 CB GLN A 32 -0.963 -9.945 2.749 1.00 0.00 C ATOM 488 CG GLN A 32 -0.900 -11.257 1.962 1.00 0.00 C ATOM 489 CD GLN A 32 -0.414 -10.976 0.539 1.00 0.00 C ATOM 490 OE1 GLN A 32 -0.979 -10.158 -0.158 1.00 0.00 O ATOM 491 NE2 GLN A 32 0.618 -11.627 0.075 1.00 0.00 N ATOM 0 H GLN A 32 -0.837 -8.275 1.043 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.008 -9.862 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.085 -9.336 2.531 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.951 -10.150 3.819 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.227 -11.958 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.884 -11.725 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.093 -12.314 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.950 -11.448 -0.873 1.00 0.00 H new ATOM 500 N TYR A 33 -2.169 -7.336 3.950 1.00 0.00 N ATOM 501 CA TYR A 33 -2.680 -6.521 5.094 1.00 0.00 C ATOM 502 C TYR A 33 -4.051 -5.959 4.707 1.00 0.00 C ATOM 503 O TYR A 33 -4.980 -5.945 5.492 1.00 0.00 O ATOM 504 CB TYR A 33 -1.652 -5.395 5.273 1.00 0.00 C ATOM 505 CG TYR A 33 -2.131 -4.440 6.332 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.956 -4.762 7.677 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.761 -3.245 5.968 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.408 -3.891 8.667 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.214 -2.369 6.958 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.038 -2.692 8.311 1.00 0.00 C ATOM 511 OH TYR A 33 -3.486 -1.829 9.291 1.00 0.00 O ATOM 0 H TYR A 33 -1.330 -6.971 3.499 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.799 -7.089 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.685 -5.812 5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.508 -4.867 4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.470 -5.686 7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.897 -3.000 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.272 -4.141 9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.699 -1.445 6.681 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.898 -1.044 8.873 1.00 0.00 H new ATOM 521 N ILE A 34 -4.175 -5.515 3.484 1.00 0.00 N ATOM 522 CA ILE A 34 -5.477 -4.967 2.999 1.00 0.00 C ATOM 523 C ILE A 34 -6.520 -6.091 2.978 1.00 0.00 C ATOM 524 O ILE A 34 -7.705 -5.857 3.131 1.00 0.00 O ATOM 525 CB ILE A 34 -5.187 -4.462 1.578 1.00 0.00 C ATOM 526 CG1 ILE A 34 -4.108 -3.354 1.641 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.480 -3.948 0.920 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.707 -2.011 2.075 1.00 0.00 C ATOM 0 H ILE A 34 -3.424 -5.508 2.794 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.869 -4.172 3.633 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.810 -5.281 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.324 -3.647 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.639 -3.245 0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.260 -3.593 -0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.208 -4.757 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.889 -3.129 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.921 -1.256 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.473 -1.707 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.153 -2.114 3.064 1.00 0.00 H new ATOM 540 N ASN A 35 -6.078 -7.312 2.790 1.00 0.00 N ATOM 541 CA ASN A 35 -7.027 -8.467 2.759 1.00 0.00 C ATOM 542 C ASN A 35 -7.772 -8.575 4.093 1.00 0.00 C ATOM 543 O ASN A 35 -8.890 -9.050 4.152 1.00 0.00 O ATOM 544 CB ASN A 35 -6.150 -9.701 2.534 1.00 0.00 C ATOM 545 CG ASN A 35 -7.033 -10.899 2.180 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.663 -11.479 3.042 1.00 0.00 O ATOM 547 ND2 ASN A 35 -7.107 -11.295 0.939 1.00 0.00 N ATOM 0 H ASN A 35 -5.097 -7.558 2.656 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.782 -8.358 1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.437 -9.512 1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.570 -9.916 3.431 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.694 -12.092 0.692 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.578 -10.808 0.216 1.00 0.00 H new ATOM 554 N ASP A 36 -7.156 -8.136 5.163 1.00 0.00 N ATOM 555 CA ASP A 36 -7.820 -8.209 6.499 1.00 0.00 C ATOM 556 C ASP A 36 -8.840 -7.075 6.645 1.00 0.00 C ATOM 557 O ASP A 36 -9.917 -7.265 7.178 1.00 0.00 O ATOM 558 CB ASP A 36 -6.690 -8.047 7.517 1.00 0.00 C ATOM 559 CG ASP A 36 -7.173 -8.505 8.894 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.319 -8.239 9.217 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.389 -9.115 9.603 1.00 0.00 O ATOM 0 H ASP A 36 -6.220 -7.730 5.168 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.361 -9.145 6.639 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.824 -8.633 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.371 -7.005 7.560 1.00 0.00 H new ATOM 566 N ASN A 37 -8.505 -5.901 6.173 1.00 0.00 N ATOM 567 CA ASN A 37 -9.452 -4.749 6.279 1.00 0.00 C ATOM 568 C ASN A 37 -10.570 -4.890 5.244 1.00 0.00 C ATOM 569 O ASN A 37 -11.705 -4.530 5.491 1.00 0.00 O ATOM 570 CB ASN A 37 -8.607 -3.506 5.991 1.00 0.00 C ATOM 571 CG ASN A 37 -7.537 -3.352 7.073 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.706 -3.819 8.182 1.00 0.00 O ATOM 573 ND2 ASN A 37 -6.435 -2.710 6.796 1.00 0.00 N ATOM 0 H ASN A 37 -7.616 -5.690 5.719 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.928 -4.696 7.258 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.138 -3.592 5.011 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.242 -2.620 5.964 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.715 -2.600 7.510 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.293 -2.318 5.865 1.00 0.00 H new ATOM 580 N GLY A 38 -10.253 -5.414 4.087 1.00 0.00 N ATOM 581 CA GLY A 38 -11.289 -5.585 3.027 1.00 0.00 C ATOM 582 C GLY A 38 -11.333 -4.336 2.145 1.00 0.00 C ATOM 583 O GLY A 38 -12.369 -3.978 1.618 1.00 0.00 O ATOM 0 H GLY A 38 -9.318 -5.731 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.062 -6.462 2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.265 -5.755 3.482 1.00 0.00 H new ATOM 587 N ILE A 39 -10.216 -3.673 1.983 1.00 0.00 N ATOM 588 CA ILE A 39 -10.187 -2.444 1.133 1.00 0.00 C ATOM 589 C ILE A 39 -9.329 -2.684 -0.114 1.00 0.00 C ATOM 590 O ILE A 39 -8.231 -2.176 -0.228 1.00 0.00 O ATOM 591 CB ILE A 39 -9.567 -1.357 2.023 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.433 -1.148 3.277 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.468 -0.040 1.245 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.856 -0.729 2.881 1.00 0.00 C ATOM 0 H ILE A 39 -9.323 -3.930 2.403 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.179 -2.159 0.782 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.569 -1.675 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.467 -2.068 3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.986 -0.384 3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.027 0.727 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.842 -0.184 0.364 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.464 0.275 0.934 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.456 -0.585 3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.817 0.203 2.317 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.306 -1.507 2.265 1.00 0.00 H new ATOM 606 N ASP A 40 -9.829 -3.453 -1.048 1.00 0.00 N ATOM 607 CA ASP A 40 -9.053 -3.728 -2.295 1.00 0.00 C ATOM 608 C ASP A 40 -9.804 -3.179 -3.510 1.00 0.00 C ATOM 609 O ASP A 40 -10.862 -3.666 -3.865 1.00 0.00 O ATOM 610 CB ASP A 40 -8.950 -5.252 -2.370 1.00 0.00 C ATOM 611 CG ASP A 40 -8.098 -5.765 -1.208 1.00 0.00 C ATOM 612 OD1 ASP A 40 -6.884 -5.723 -1.326 1.00 0.00 O ATOM 613 OD2 ASP A 40 -8.673 -6.192 -0.221 1.00 0.00 O ATOM 0 H ASP A 40 -10.743 -3.903 -1.000 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.071 -3.255 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.944 -5.696 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.506 -5.551 -3.320 1.00 0.00 H new ATOM 618 N GLY A 41 -9.268 -2.167 -4.146 1.00 0.00 N ATOM 619 CA GLY A 41 -9.952 -1.581 -5.336 1.00 0.00 C ATOM 620 C GLY A 41 -8.915 -1.147 -6.374 1.00 0.00 C ATOM 621 O GLY A 41 -8.566 -1.899 -7.265 1.00 0.00 O ATOM 0 H GLY A 41 -8.386 -1.722 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.631 -2.313 -5.773 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.556 -0.726 -5.034 1.00 0.00 H new ATOM 625 N GLU A 42 -8.428 0.066 -6.271 1.00 0.00 N ATOM 626 CA GLU A 42 -7.419 0.557 -7.259 1.00 0.00 C ATOM 627 C GLU A 42 -6.205 1.154 -6.544 1.00 0.00 C ATOM 628 O GLU A 42 -6.319 2.115 -5.806 1.00 0.00 O ATOM 629 CB GLU A 42 -8.149 1.639 -8.063 1.00 0.00 C ATOM 630 CG GLU A 42 -8.535 1.088 -9.439 1.00 0.00 C ATOM 631 CD GLU A 42 -9.864 1.704 -9.881 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.970 2.919 -9.854 1.00 0.00 O ATOM 633 OE2 GLU A 42 -10.754 0.950 -10.240 1.00 0.00 O ATOM 0 H GLU A 42 -8.686 0.736 -5.546 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.044 -0.248 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.041 1.964 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.509 2.514 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.756 1.318 -10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.621 0.002 -9.397 1.00 0.00 H new ATOM 640 N TRP A 43 -5.043 0.593 -6.768 1.00 0.00 N ATOM 641 CA TRP A 43 -3.811 1.126 -6.114 1.00 0.00 C ATOM 642 C TRP A 43 -3.056 2.023 -7.097 1.00 0.00 C ATOM 643 O TRP A 43 -3.302 1.996 -8.288 1.00 0.00 O ATOM 644 CB TRP A 43 -2.946 -0.096 -5.788 1.00 0.00 C ATOM 645 CG TRP A 43 -3.529 -0.915 -4.676 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.846 -1.081 -4.395 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.806 -1.697 -3.693 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.965 -1.935 -3.317 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.736 -2.332 -2.842 1.00 0.00 C ATOM 650 CE3 TRP A 43 -1.441 -1.912 -3.465 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -3.325 -3.154 -1.799 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -1.020 -2.738 -2.411 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.960 -3.357 -1.580 1.00 0.00 C ATOM 0 H TRP A 43 -4.895 -0.212 -7.377 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.050 1.709 -5.224 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.843 -0.715 -6.679 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.944 0.232 -5.510 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.666 -0.621 -4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.856 -2.235 -2.921 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.709 -1.440 -4.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.055 -3.632 -1.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.035 -2.896 -2.241 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.631 -3.991 -0.770 1.00 0.00 H new ATOM 664 N THR A 44 -2.123 2.795 -6.608 1.00 0.00 N ATOM 665 CA THR A 44 -1.322 3.677 -7.509 1.00 0.00 C ATOM 666 C THR A 44 0.059 3.907 -6.897 1.00 0.00 C ATOM 667 O THR A 44 0.183 4.235 -5.732 1.00 0.00 O ATOM 668 CB THR A 44 -2.090 4.996 -7.613 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.242 5.563 -6.321 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.467 4.750 -8.233 1.00 0.00 C ATOM 0 H THR A 44 -1.879 2.854 -5.619 1.00 0.00 H new ATOM 0 HA THR A 44 -1.180 3.232 -8.494 1.00 0.00 H new ATOM 0 HB THR A 44 -1.532 5.685 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.273 6.540 -6.394 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.008 5.694 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.347 4.325 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.029 4.056 -7.608 1.00 0.00 H new ATOM 678 N TYR A 45 1.093 3.731 -7.673 1.00 0.00 N ATOM 679 CA TYR A 45 2.474 3.930 -7.144 1.00 0.00 C ATOM 680 C TYR A 45 2.899 5.392 -7.334 1.00 0.00 C ATOM 681 O TYR A 45 2.348 6.102 -8.155 1.00 0.00 O ATOM 682 CB TYR A 45 3.354 2.996 -7.982 1.00 0.00 C ATOM 683 CG TYR A 45 4.795 3.117 -7.544 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.144 2.882 -6.209 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.781 3.464 -8.474 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.479 2.996 -5.804 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.116 3.578 -8.070 1.00 0.00 C ATOM 688 CZ TYR A 45 7.466 3.344 -6.735 1.00 0.00 C ATOM 689 OH TYR A 45 8.782 3.456 -6.337 1.00 0.00 O ATOM 0 H TYR A 45 1.042 3.457 -8.654 1.00 0.00 H new ATOM 0 HA TYR A 45 2.551 3.712 -6.079 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.016 1.966 -7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.264 3.248 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.383 2.613 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.512 3.644 -9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.748 2.816 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.876 3.847 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 45 9.099 4.367 -6.509 1.00 0.00 H new ATOM 699 N ASP A 46 3.878 5.842 -6.588 1.00 0.00 N ATOM 700 CA ASP A 46 4.345 7.257 -6.732 1.00 0.00 C ATOM 701 C ASP A 46 5.874 7.305 -6.750 1.00 0.00 C ATOM 702 O ASP A 46 6.529 6.765 -5.878 1.00 0.00 O ATOM 703 CB ASP A 46 3.808 8.009 -5.506 1.00 0.00 C ATOM 704 CG ASP A 46 2.289 7.832 -5.402 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.597 8.283 -6.300 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.846 7.247 -4.427 1.00 0.00 O ATOM 0 H ASP A 46 4.374 5.292 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 46 3.990 7.703 -7.661 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.288 7.635 -4.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.054 9.068 -5.583 1.00 0.00 H new ATOM 711 N ASP A 47 6.443 7.954 -7.733 1.00 0.00 N ATOM 712 CA ASP A 47 7.935 8.048 -7.811 1.00 0.00 C ATOM 713 C ASP A 47 8.479 9.013 -6.742 1.00 0.00 C ATOM 714 O ASP A 47 9.677 9.130 -6.563 1.00 0.00 O ATOM 715 CB ASP A 47 8.235 8.574 -9.220 1.00 0.00 C ATOM 716 CG ASP A 47 7.563 9.935 -9.426 1.00 0.00 C ATOM 717 OD1 ASP A 47 7.973 10.882 -8.775 1.00 0.00 O ATOM 718 OD2 ASP A 47 6.650 10.007 -10.233 1.00 0.00 O ATOM 0 H ASP A 47 5.940 8.424 -8.486 1.00 0.00 H new ATOM 0 HA ASP A 47 8.411 7.084 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.312 8.666 -9.361 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.875 7.865 -9.966 1.00 0.00 H new ATOM 723 N ALA A 48 7.614 9.704 -6.032 1.00 0.00 N ATOM 724 CA ALA A 48 8.087 10.657 -4.976 1.00 0.00 C ATOM 725 C ALA A 48 8.963 9.928 -3.950 1.00 0.00 C ATOM 726 O ALA A 48 10.170 10.082 -3.929 1.00 0.00 O ATOM 727 CB ALA A 48 6.808 11.179 -4.313 1.00 0.00 C ATOM 0 H ALA A 48 6.601 9.648 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 48 8.692 11.463 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.069 11.886 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.190 11.679 -5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.254 10.344 -3.883 1.00 0.00 H new ATOM 733 N THR A 49 8.358 9.134 -3.106 1.00 0.00 N ATOM 734 CA THR A 49 9.136 8.382 -2.076 1.00 0.00 C ATOM 735 C THR A 49 8.738 6.905 -2.113 1.00 0.00 C ATOM 736 O THR A 49 8.649 6.249 -1.092 1.00 0.00 O ATOM 737 CB THR A 49 8.741 9.019 -0.738 1.00 0.00 C ATOM 738 OG1 THR A 49 9.440 8.372 0.315 1.00 0.00 O ATOM 739 CG2 THR A 49 7.231 8.870 -0.518 1.00 0.00 C ATOM 0 H THR A 49 7.351 8.973 -3.086 1.00 0.00 H new ATOM 0 HA THR A 49 10.212 8.430 -2.241 1.00 0.00 H new ATOM 0 HB THR A 49 8.998 10.078 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.270 7.408 0.276 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.955 9.324 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.695 9.367 -1.326 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.968 7.812 -0.505 1.00 0.00 H new ATOM 747 N LYS A 50 8.478 6.386 -3.287 1.00 0.00 N ATOM 748 CA LYS A 50 8.060 4.954 -3.423 1.00 0.00 C ATOM 749 C LYS A 50 6.816 4.680 -2.572 1.00 0.00 C ATOM 750 O LYS A 50 6.757 3.714 -1.835 1.00 0.00 O ATOM 751 CB LYS A 50 9.248 4.112 -2.940 1.00 0.00 C ATOM 752 CG LYS A 50 10.487 4.442 -3.777 1.00 0.00 C ATOM 753 CD LYS A 50 11.680 3.629 -3.267 1.00 0.00 C ATOM 754 CE LYS A 50 12.565 3.221 -4.448 1.00 0.00 C ATOM 755 NZ LYS A 50 13.952 3.223 -3.908 1.00 0.00 N ATOM 0 H LYS A 50 8.538 6.898 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 50 7.801 4.709 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.444 4.313 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.012 3.051 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.301 4.215 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.707 5.508 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.256 4.218 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.330 2.742 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.290 2.236 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.463 3.921 -5.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.618 2.953 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.188 4.175 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.020 2.543 -3.124 1.00 0.00 H new ATOM 769 N THR A 51 5.824 5.527 -2.676 1.00 0.00 N ATOM 770 CA THR A 51 4.572 5.329 -1.882 1.00 0.00 C ATOM 771 C THR A 51 3.593 4.458 -2.673 1.00 0.00 C ATOM 772 O THR A 51 3.942 3.882 -3.686 1.00 0.00 O ATOM 773 CB THR A 51 3.982 6.734 -1.670 1.00 0.00 C ATOM 774 OG1 THR A 51 5.022 7.705 -1.661 1.00 0.00 O ATOM 775 CG2 THR A 51 3.231 6.789 -0.336 1.00 0.00 C ATOM 0 H THR A 51 5.826 6.350 -3.278 1.00 0.00 H new ATOM 0 HA THR A 51 4.766 4.831 -0.932 1.00 0.00 H new ATOM 0 HB THR A 51 3.293 6.949 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.636 8.596 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.816 7.787 -0.193 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.423 6.058 -0.343 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.919 6.562 0.478 1.00 0.00 H new ATOM 783 N TRP A 52 2.370 4.363 -2.217 1.00 0.00 N ATOM 784 CA TRP A 52 1.359 3.533 -2.935 1.00 0.00 C ATOM 785 C TRP A 52 -0.055 4.014 -2.599 1.00 0.00 C ATOM 786 O TRP A 52 -0.238 5.039 -1.969 1.00 0.00 O ATOM 787 CB TRP A 52 1.555 2.117 -2.406 1.00 0.00 C ATOM 788 CG TRP A 52 2.703 1.457 -3.093 1.00 0.00 C ATOM 789 CD1 TRP A 52 3.959 1.361 -2.606 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.707 0.784 -4.375 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.741 0.680 -3.524 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.009 0.302 -4.634 1.00 0.00 C ATOM 793 CE3 TRP A 52 1.710 0.555 -5.327 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.311 -0.387 -5.809 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.003 -0.139 -6.512 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.303 -0.609 -6.753 1.00 0.00 C ATOM 0 H TRP A 52 2.028 4.827 -1.375 1.00 0.00 H new ATOM 0 HA TRP A 52 1.480 3.593 -4.017 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.734 2.146 -1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.647 1.535 -2.562 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.298 1.751 -1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.733 0.482 -3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.707 0.914 -5.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.314 -0.746 -5.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.225 -0.312 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.525 -1.141 -7.666 1.00 0.00 H new ATOM 807 N THR A 53 -1.057 3.271 -3.006 1.00 0.00 N ATOM 808 CA THR A 53 -2.465 3.671 -2.702 1.00 0.00 C ATOM 809 C THR A 53 -3.398 2.457 -2.785 1.00 0.00 C ATOM 810 O THR A 53 -3.010 1.391 -3.224 1.00 0.00 O ATOM 811 CB THR A 53 -2.835 4.703 -3.770 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.799 5.669 -3.880 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.140 5.400 -3.382 1.00 0.00 C ATOM 0 H THR A 53 -0.959 2.405 -3.536 1.00 0.00 H new ATOM 0 HA THR A 53 -2.562 4.077 -1.695 1.00 0.00 H new ATOM 0 HB THR A 53 -2.964 4.198 -4.727 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.636 5.868 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.401 6.134 -4.144 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.937 4.661 -3.302 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.013 5.902 -2.423 1.00 0.00 H new ATOM 821 N VAL A 54 -4.624 2.615 -2.354 1.00 0.00 N ATOM 822 CA VAL A 54 -5.604 1.479 -2.386 1.00 0.00 C ATOM 823 C VAL A 54 -7.002 1.996 -2.014 1.00 0.00 C ATOM 824 O VAL A 54 -7.401 1.967 -0.866 1.00 0.00 O ATOM 825 CB VAL A 54 -5.081 0.447 -1.356 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.744 1.138 -0.037 1.00 0.00 C ATOM 827 CG2 VAL A 54 -6.134 -0.636 -1.084 1.00 0.00 C ATOM 0 H VAL A 54 -4.994 3.488 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.690 1.025 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.186 -0.013 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.378 0.400 0.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.975 1.891 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.638 1.616 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.744 -1.349 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.038 -0.173 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.369 -1.156 -2.013 1.00 0.00 H new ATOM 837 N THR A 55 -7.742 2.465 -2.986 1.00 0.00 N ATOM 838 CA THR A 55 -9.114 2.987 -2.708 1.00 0.00 C ATOM 839 C THR A 55 -10.147 1.867 -2.863 1.00 0.00 C ATOM 840 O THR A 55 -10.093 1.090 -3.797 1.00 0.00 O ATOM 841 CB THR A 55 -9.343 4.074 -3.760 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.162 4.853 -3.899 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.499 4.973 -3.322 1.00 0.00 C ATOM 0 H THR A 55 -7.454 2.509 -3.963 1.00 0.00 H new ATOM 0 HA THR A 55 -9.212 3.372 -1.693 1.00 0.00 H new ATOM 0 HB THR A 55 -9.587 3.610 -4.716 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.307 5.549 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.662 5.747 -4.072 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.404 4.375 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.256 5.438 -2.367 1.00 0.00 H new ATOM 851 N GLU A 56 -11.087 1.784 -1.955 1.00 0.00 N ATOM 852 CA GLU A 56 -12.130 0.715 -2.048 1.00 0.00 C ATOM 853 C GLU A 56 -13.098 1.020 -3.194 1.00 0.00 C ATOM 854 O GLU A 56 -13.985 1.834 -2.994 1.00 0.00 O ATOM 855 CB GLU A 56 -12.864 0.749 -0.705 1.00 0.00 C ATOM 856 CG GLU A 56 -13.721 -0.510 -0.560 1.00 0.00 C ATOM 857 CD GLU A 56 -15.092 -0.271 -1.196 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.225 -0.527 -2.382 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.985 0.163 -0.488 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.936 0.435 -4.252 1.00 0.00 O ATOM 0 H GLU A 56 -11.178 2.409 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.696 -0.265 -2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.146 0.809 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.492 1.638 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.228 -1.355 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.837 -0.765 0.494 1.00 0.00 H new TER 867 GLU A 56