USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 412 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 K(o=0,f=-1.5) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= -0.911 USER MOD Set 2.2: A 53 THR OG1 : rot 131:sc= 0.414 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 39:sc= -0.486 USER MOD Single : A 25 THR OG1 : rot -170: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= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.854 K(o=-0.85,f=-2!) USER MOD Single : A 37 ASN : amide:sc= -0.22 K(o=-0.22,f=-4.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -51:sc= 1.06 USER MOD Single : A 50 LYS NZ :NH3+ -117:sc= 0.761 (180deg=-1.01) USER MOD Single : A 51 THR OG1 : rot 34:sc= -3.13! USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.938 1.535 3.248 1.00 0.00 N ATOM 32 CA PHE A 3 7.872 1.961 2.281 1.00 0.00 C ATOM 33 C PHE A 3 6.561 2.254 3.022 1.00 0.00 C ATOM 34 O PHE A 3 6.422 1.945 4.190 1.00 0.00 O ATOM 35 CB PHE A 3 7.702 0.773 1.327 1.00 0.00 C ATOM 36 CG PHE A 3 9.002 0.530 0.595 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.572 1.553 -0.171 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.640 -0.715 0.688 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.780 1.334 -0.844 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.847 -0.933 0.013 1.00 0.00 C ATOM 41 CZ PHE A 3 11.417 0.091 -0.753 1.00 0.00 C ATOM 0 HA PHE A 3 8.141 2.874 1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.414 -0.118 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.902 0.976 0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.080 2.512 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.201 -1.505 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.220 2.124 -1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.339 -1.892 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.348 -0.078 -1.274 1.00 0.00 H new ATOM 51 N LYS A 4 5.607 2.855 2.355 1.00 0.00 N ATOM 52 CA LYS A 4 4.308 3.177 3.022 1.00 0.00 C ATOM 53 C LYS A 4 3.143 2.984 2.050 1.00 0.00 C ATOM 54 O LYS A 4 3.311 3.062 0.852 1.00 0.00 O ATOM 55 CB LYS A 4 4.419 4.651 3.413 1.00 0.00 C ATOM 56 CG LYS A 4 3.298 5.010 4.393 1.00 0.00 C ATOM 57 CD LYS A 4 3.398 6.494 4.773 1.00 0.00 C ATOM 58 CE LYS A 4 2.015 7.148 4.681 1.00 0.00 C ATOM 59 NZ LYS A 4 2.043 8.249 5.683 1.00 0.00 N ATOM 0 H LYS A 4 5.672 3.137 1.377 1.00 0.00 H new ATOM 0 HA LYS A 4 4.121 2.531 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.390 4.844 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.354 5.279 2.524 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.327 4.805 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.371 4.390 5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.791 6.594 5.785 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.096 7.003 4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.825 7.531 3.678 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.224 6.432 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.129 8.745 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.219 7.853 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.801 8.919 5.442 1.00 0.00 H new ATOM 73 N LEU A 5 1.964 2.751 2.568 1.00 0.00 N ATOM 74 CA LEU A 5 0.768 2.570 1.690 1.00 0.00 C ATOM 75 C LEU A 5 -0.499 2.938 2.465 1.00 0.00 C ATOM 76 O LEU A 5 -0.702 2.502 3.582 1.00 0.00 O ATOM 77 CB LEU A 5 0.747 1.087 1.306 1.00 0.00 C ATOM 78 CG LEU A 5 0.080 0.923 -0.072 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.930 0.011 -0.964 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.313 0.308 0.101 1.00 0.00 C ATOM 0 H LEU A 5 1.777 2.678 3.568 1.00 0.00 H new ATOM 0 HA LEU A 5 0.812 3.206 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.763 0.693 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.202 0.514 2.056 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.007 1.903 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.449 -0.098 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.919 0.450 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.027 -0.968 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.784 0.193 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.223 -0.668 0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.924 0.961 0.724 1.00 0.00 H new ATOM 92 N ILE A 6 -1.347 3.741 1.879 1.00 0.00 N ATOM 93 CA ILE A 6 -2.604 4.150 2.573 1.00 0.00 C ATOM 94 C ILE A 6 -3.791 3.361 2.012 1.00 0.00 C ATOM 95 O ILE A 6 -3.819 3.013 0.846 1.00 0.00 O ATOM 96 CB ILE A 6 -2.734 5.646 2.270 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.555 6.395 2.914 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.062 6.191 2.817 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.593 6.246 4.440 1.00 0.00 C ATOM 0 H ILE A 6 -1.223 4.133 0.946 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.585 3.955 3.645 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.719 5.796 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.614 6.004 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.596 7.450 2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.138 7.255 2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.892 5.661 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.099 6.044 3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.752 6.782 4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.526 6.659 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.528 5.190 4.704 1.00 0.00 H new ATOM 111 N ILE A 7 -4.766 3.074 2.837 1.00 0.00 N ATOM 112 CA ILE A 7 -5.952 2.302 2.360 1.00 0.00 C ATOM 113 C ILE A 7 -7.182 3.211 2.286 1.00 0.00 C ATOM 114 O ILE A 7 -7.663 3.703 3.289 1.00 0.00 O ATOM 115 CB ILE A 7 -6.164 1.195 3.398 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.896 0.341 3.514 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.327 0.303 2.959 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.000 -0.561 4.743 1.00 0.00 C ATOM 0 H ILE A 7 -4.791 3.341 3.821 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.797 1.893 1.361 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.387 1.649 4.364 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.768 -0.263 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.019 0.983 3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.479 -0.485 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.234 0.902 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.098 -0.144 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.099 -1.168 4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.107 0.053 5.637 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.868 -1.212 4.644 1.00 0.00 H new ATOM 130 N ASN A 8 -7.695 3.427 1.101 1.00 0.00 N ATOM 131 CA ASN A 8 -8.899 4.294 0.947 1.00 0.00 C ATOM 132 C ASN A 8 -10.121 3.431 0.631 1.00 0.00 C ATOM 133 O ASN A 8 -10.843 3.680 -0.317 1.00 0.00 O ATOM 134 CB ASN A 8 -8.577 5.223 -0.225 1.00 0.00 C ATOM 135 CG ASN A 8 -7.422 6.153 0.154 1.00 0.00 C ATOM 136 OD1 ASN A 8 -7.159 6.374 1.320 1.00 0.00 O ATOM 137 ND2 ASN A 8 -6.717 6.712 -0.791 1.00 0.00 N ATOM 0 H ASN A 8 -7.329 3.038 0.232 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.127 4.855 1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.310 4.636 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.457 5.810 -0.489 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.945 7.334 -0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.938 6.527 -1.769 1.00 0.00 H new ATOM 144 N GLY A 9 -10.352 2.416 1.421 1.00 0.00 N ATOM 145 CA GLY A 9 -11.522 1.522 1.180 1.00 0.00 C ATOM 146 C GLY A 9 -12.806 2.238 1.600 1.00 0.00 C ATOM 147 O GLY A 9 -12.812 3.029 2.524 1.00 0.00 O ATOM 0 H GLY A 9 -9.778 2.167 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.573 1.249 0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.408 0.596 1.744 1.00 0.00 H new ATOM 151 N LYS A 10 -13.894 1.969 0.921 1.00 0.00 N ATOM 152 CA LYS A 10 -15.189 2.632 1.266 1.00 0.00 C ATOM 153 C LYS A 10 -15.541 2.403 2.741 1.00 0.00 C ATOM 154 O LYS A 10 -16.161 3.235 3.376 1.00 0.00 O ATOM 155 CB LYS A 10 -16.232 1.971 0.362 1.00 0.00 C ATOM 156 CG LYS A 10 -15.881 2.242 -1.103 1.00 0.00 C ATOM 157 CD LYS A 10 -17.157 2.217 -1.948 1.00 0.00 C ATOM 158 CE LYS A 10 -17.041 3.238 -3.082 1.00 0.00 C ATOM 159 NZ LYS A 10 -16.611 2.446 -4.268 1.00 0.00 N ATOM 0 H LYS A 10 -13.940 1.316 0.139 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.142 3.711 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.262 0.897 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.224 2.361 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.389 3.210 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.178 1.491 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.314 1.219 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.022 2.446 -1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.993 3.736 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.315 4.015 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.509 3.077 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.699 1.989 -4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.324 1.719 -4.477 1.00 0.00 H new ATOM 173 N THR A 11 -15.146 1.280 3.284 1.00 0.00 N ATOM 174 CA THR A 11 -15.451 0.985 4.716 1.00 0.00 C ATOM 175 C THR A 11 -14.155 0.779 5.506 1.00 0.00 C ATOM 176 O THR A 11 -14.054 1.161 6.657 1.00 0.00 O ATOM 177 CB THR A 11 -16.274 -0.304 4.688 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.361 -0.150 3.786 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.809 -0.601 6.090 1.00 0.00 C ATOM 0 H THR A 11 -14.624 0.553 2.796 1.00 0.00 H new ATOM 0 HA THR A 11 -15.988 1.802 5.199 1.00 0.00 H new ATOM 0 HB THR A 11 -15.644 -1.131 4.360 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.889 -0.976 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.395 -1.520 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.974 -0.719 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.440 0.224 6.421 1.00 0.00 H new ATOM 187 N LEU A 12 -13.166 0.175 4.895 1.00 0.00 N ATOM 188 CA LEU A 12 -11.873 -0.062 5.605 1.00 0.00 C ATOM 189 C LEU A 12 -10.832 0.976 5.178 1.00 0.00 C ATOM 190 O LEU A 12 -10.813 1.418 4.044 1.00 0.00 O ATOM 191 CB LEU A 12 -11.439 -1.464 5.176 1.00 0.00 C ATOM 192 CG LEU A 12 -12.434 -2.494 5.711 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.433 -3.725 4.803 1.00 0.00 C ATOM 194 CD2 LEU A 12 -12.027 -2.907 7.128 1.00 0.00 C ATOM 0 H LEU A 12 -13.199 -0.164 3.934 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.976 0.022 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.388 -1.523 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.439 -1.678 5.554 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.433 -2.058 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.142 -4.459 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.721 -3.433 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.434 -4.162 4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.736 -3.641 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.028 -3.343 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.027 -2.031 7.776 1.00 0.00 H new ATOM 206 N LYS A 13 -9.967 1.366 6.080 1.00 0.00 N ATOM 207 CA LYS A 13 -8.920 2.376 5.739 1.00 0.00 C ATOM 208 C LYS A 13 -7.739 2.260 6.707 1.00 0.00 C ATOM 209 O LYS A 13 -7.725 1.414 7.581 1.00 0.00 O ATOM 210 CB LYS A 13 -9.611 3.731 5.897 1.00 0.00 C ATOM 211 CG LYS A 13 -10.380 4.066 4.618 1.00 0.00 C ATOM 212 CD LYS A 13 -10.490 5.585 4.471 1.00 0.00 C ATOM 213 CE LYS A 13 -11.821 5.940 3.804 1.00 0.00 C ATOM 214 NZ LYS A 13 -12.243 7.216 4.444 1.00 0.00 N ATOM 0 H LYS A 13 -9.941 1.027 7.042 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.522 2.236 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.292 3.706 6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.872 4.506 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.870 3.642 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.374 3.620 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.423 6.061 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.660 5.964 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.704 6.058 2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.562 5.156 3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.150 7.525 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.353 7.071 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.521 7.945 4.273 1.00 0.00 H new ATOM 228 N GLY A 14 -6.751 3.106 6.557 1.00 0.00 N ATOM 229 CA GLY A 14 -5.569 3.054 7.465 1.00 0.00 C ATOM 230 C GLY A 14 -4.281 3.094 6.639 1.00 0.00 C ATOM 231 O GLY A 14 -4.306 2.975 5.428 1.00 0.00 O ATOM 0 H GLY A 14 -6.714 3.832 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.594 3.895 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.599 2.145 8.065 1.00 0.00 H new ATOM 235 N GLU A 15 -3.157 3.260 7.289 1.00 0.00 N ATOM 236 CA GLU A 15 -1.857 3.309 6.553 1.00 0.00 C ATOM 237 C GLU A 15 -1.012 2.076 6.891 1.00 0.00 C ATOM 238 O GLU A 15 -1.324 1.335 7.804 1.00 0.00 O ATOM 239 CB GLU A 15 -1.170 4.592 7.038 1.00 0.00 C ATOM 240 CG GLU A 15 -0.970 4.541 8.558 1.00 0.00 C ATOM 241 CD GLU A 15 0.012 5.635 8.980 1.00 0.00 C ATOM 242 OE1 GLU A 15 -0.337 6.797 8.856 1.00 0.00 O ATOM 243 OE2 GLU A 15 1.097 5.292 9.420 1.00 0.00 O ATOM 0 H GLU A 15 -3.083 3.364 8.301 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.993 3.310 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.207 4.709 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.773 5.460 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.925 4.679 9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.590 3.563 8.853 1.00 0.00 H new ATOM 250 N THR A 16 0.056 1.854 6.163 1.00 0.00 N ATOM 251 CA THR A 16 0.922 0.667 6.447 1.00 0.00 C ATOM 252 C THR A 16 2.295 0.827 5.788 1.00 0.00 C ATOM 253 O THR A 16 2.425 1.432 4.742 1.00 0.00 O ATOM 254 CB THR A 16 0.174 -0.532 5.851 1.00 0.00 C ATOM 255 OG1 THR A 16 0.942 -1.710 6.051 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.055 -0.321 4.350 1.00 0.00 C ATOM 0 H THR A 16 0.364 2.441 5.388 1.00 0.00 H new ATOM 0 HA THR A 16 1.102 0.544 7.515 1.00 0.00 H new ATOM 0 HB THR A 16 -0.792 -0.631 6.345 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.466 -2.479 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.587 -1.179 3.939 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.647 0.581 4.196 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.906 -0.215 3.847 1.00 0.00 H new ATOM 264 N THR A 17 3.318 0.280 6.395 1.00 0.00 N ATOM 265 CA THR A 17 4.688 0.385 5.811 1.00 0.00 C ATOM 266 C THR A 17 5.391 -0.971 5.875 1.00 0.00 C ATOM 267 O THR A 17 5.044 -1.819 6.676 1.00 0.00 O ATOM 268 CB THR A 17 5.429 1.396 6.685 1.00 0.00 C ATOM 269 OG1 THR A 17 5.332 1.001 8.047 1.00 0.00 O ATOM 270 CG2 THR A 17 4.815 2.784 6.509 1.00 0.00 C ATOM 0 H THR A 17 3.262 -0.236 7.273 1.00 0.00 H new ATOM 0 HA THR A 17 4.660 0.693 4.766 1.00 0.00 H new ATOM 0 HB THR A 17 6.477 1.430 6.388 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.808 1.647 8.610 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.348 3.500 7.135 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.893 3.087 5.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.765 2.757 6.802 1.00 0.00 H new ATOM 278 N THR A 18 6.378 -1.178 5.042 1.00 0.00 N ATOM 279 CA THR A 18 7.109 -2.469 5.052 1.00 0.00 C ATOM 280 C THR A 18 8.606 -2.209 4.790 1.00 0.00 C ATOM 281 O THR A 18 8.987 -1.164 4.296 1.00 0.00 O ATOM 282 CB THR A 18 6.416 -3.302 3.937 1.00 0.00 C ATOM 283 OG1 THR A 18 5.635 -4.320 4.545 1.00 0.00 O ATOM 284 CG2 THR A 18 7.432 -3.955 2.996 1.00 0.00 C ATOM 0 H THR A 18 6.707 -0.501 4.353 1.00 0.00 H new ATOM 0 HA THR A 18 7.074 -3.003 6.001 1.00 0.00 H new ATOM 0 HB THR A 18 5.795 -2.627 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.205 -3.965 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.905 -4.527 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.035 -3.182 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.080 -4.621 3.566 1.00 0.00 H new ATOM 292 N GLU A 19 9.442 -3.164 5.105 1.00 0.00 N ATOM 293 CA GLU A 19 10.906 -3.000 4.866 1.00 0.00 C ATOM 294 C GLU A 19 11.378 -4.062 3.871 1.00 0.00 C ATOM 295 O GLU A 19 11.299 -5.247 4.137 1.00 0.00 O ATOM 296 CB GLU A 19 11.562 -3.209 6.231 1.00 0.00 C ATOM 297 CG GLU A 19 13.033 -2.794 6.157 1.00 0.00 C ATOM 298 CD GLU A 19 13.864 -3.689 7.077 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.395 -3.987 8.163 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.957 -4.061 6.681 1.00 0.00 O ATOM 0 H GLU A 19 9.171 -4.056 5.520 1.00 0.00 H new ATOM 0 HA GLU A 19 11.158 -2.025 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.045 -2.621 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.482 -4.254 6.529 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.393 -2.875 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.142 -1.750 6.452 1.00 0.00 H new ATOM 307 N ALA A 20 11.853 -3.649 2.723 1.00 0.00 N ATOM 308 CA ALA A 20 12.313 -4.639 1.704 1.00 0.00 C ATOM 309 C ALA A 20 13.372 -4.024 0.786 1.00 0.00 C ATOM 310 O ALA A 20 13.713 -2.862 0.903 1.00 0.00 O ATOM 311 CB ALA A 20 11.056 -4.982 0.907 1.00 0.00 C ATOM 0 H ALA A 20 11.942 -2.671 2.448 1.00 0.00 H new ATOM 0 HA ALA A 20 12.771 -5.516 2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.303 -5.708 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.306 -5.406 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.660 -4.078 0.445 1.00 0.00 H new ATOM 317 N VAL A 21 13.889 -4.803 -0.130 1.00 0.00 N ATOM 318 CA VAL A 21 14.928 -4.283 -1.073 1.00 0.00 C ATOM 319 C VAL A 21 14.373 -3.111 -1.882 1.00 0.00 C ATOM 320 O VAL A 21 15.071 -2.159 -2.176 1.00 0.00 O ATOM 321 CB VAL A 21 15.260 -5.460 -2.004 1.00 0.00 C ATOM 322 CG1 VAL A 21 14.009 -5.901 -2.778 1.00 0.00 C ATOM 323 CG2 VAL A 21 16.348 -5.039 -2.998 1.00 0.00 C ATOM 0 H VAL A 21 13.636 -5.782 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 21 15.809 -3.920 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 21 15.615 -6.294 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.261 -6.735 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.237 -6.213 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.640 -5.069 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.582 -5.875 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.992 -4.197 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 21 17.245 -4.745 -2.453 1.00 0.00 H new ATOM 333 N ASP A 22 13.127 -3.195 -2.260 1.00 0.00 N ATOM 334 CA ASP A 22 12.520 -2.112 -3.075 1.00 0.00 C ATOM 335 C ASP A 22 11.005 -2.085 -2.861 1.00 0.00 C ATOM 336 O ASP A 22 10.418 -3.054 -2.418 1.00 0.00 O ATOM 337 CB ASP A 22 12.860 -2.507 -4.509 1.00 0.00 C ATOM 338 CG ASP A 22 12.332 -1.445 -5.476 1.00 0.00 C ATOM 339 OD1 ASP A 22 12.792 -0.318 -5.396 1.00 0.00 O ATOM 340 OD2 ASP A 22 11.476 -1.777 -6.279 1.00 0.00 O ATOM 0 H ASP A 22 12.503 -3.971 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 22 12.887 -1.118 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.939 -2.611 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.420 -3.477 -4.743 1.00 0.00 H new ATOM 345 N ALA A 23 10.372 -0.983 -3.168 1.00 0.00 N ATOM 346 CA ALA A 23 8.892 -0.892 -2.979 1.00 0.00 C ATOM 347 C ALA A 23 8.184 -1.917 -3.866 1.00 0.00 C ATOM 348 O ALA A 23 7.109 -2.388 -3.543 1.00 0.00 O ATOM 349 CB ALA A 23 8.515 0.532 -3.390 1.00 0.00 C ATOM 0 H ALA A 23 10.814 -0.143 -3.541 1.00 0.00 H new ATOM 0 HA ALA A 23 8.596 -1.103 -1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.440 0.671 -3.277 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.042 1.245 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.794 0.696 -4.431 1.00 0.00 H new ATOM 355 N ALA A 24 8.784 -2.276 -4.975 1.00 0.00 N ATOM 356 CA ALA A 24 8.149 -3.285 -5.879 1.00 0.00 C ATOM 357 C ALA A 24 7.962 -4.603 -5.124 1.00 0.00 C ATOM 358 O ALA A 24 6.904 -5.202 -5.154 1.00 0.00 O ATOM 359 CB ALA A 24 9.131 -3.466 -7.039 1.00 0.00 C ATOM 0 H ALA A 24 9.684 -1.915 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 24 7.168 -2.968 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.731 -4.194 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.276 -2.512 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.087 -3.821 -6.654 1.00 0.00 H new ATOM 365 N THR A 25 8.984 -5.043 -4.434 1.00 0.00 N ATOM 366 CA THR A 25 8.878 -6.313 -3.655 1.00 0.00 C ATOM 367 C THR A 25 7.903 -6.120 -2.487 1.00 0.00 C ATOM 368 O THR A 25 7.013 -6.927 -2.268 1.00 0.00 O ATOM 369 CB THR A 25 10.306 -6.595 -3.149 1.00 0.00 C ATOM 370 OG1 THR A 25 11.124 -6.971 -4.247 1.00 0.00 O ATOM 371 CG2 THR A 25 10.296 -7.728 -2.112 1.00 0.00 C ATOM 0 H THR A 25 9.889 -4.576 -4.377 1.00 0.00 H new ATOM 0 HA THR A 25 8.499 -7.144 -4.250 1.00 0.00 H new ATOM 0 HB THR A 25 10.699 -5.693 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.985 -7.302 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.313 -7.913 -1.766 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.671 -7.441 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.897 -8.634 -2.567 1.00 0.00 H new ATOM 379 N ALA A 26 8.068 -5.061 -1.732 1.00 0.00 N ATOM 380 CA ALA A 26 7.157 -4.825 -0.573 1.00 0.00 C ATOM 381 C ALA A 26 5.712 -4.715 -1.055 1.00 0.00 C ATOM 382 O ALA A 26 4.854 -5.453 -0.624 1.00 0.00 O ATOM 383 CB ALA A 26 7.607 -3.500 0.051 1.00 0.00 C ATOM 0 H ALA A 26 8.791 -4.354 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 26 7.201 -5.643 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.976 -3.269 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.644 -3.584 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.521 -2.703 -0.687 1.00 0.00 H new ATOM 389 N GLU A 27 5.447 -3.788 -1.945 1.00 0.00 N ATOM 390 CA GLU A 27 4.054 -3.584 -2.472 1.00 0.00 C ATOM 391 C GLU A 27 3.341 -4.916 -2.761 1.00 0.00 C ATOM 392 O GLU A 27 2.149 -5.040 -2.547 1.00 0.00 O ATOM 393 CB GLU A 27 4.235 -2.782 -3.763 1.00 0.00 C ATOM 394 CG GLU A 27 2.866 -2.408 -4.336 1.00 0.00 C ATOM 395 CD GLU A 27 2.985 -2.201 -5.847 1.00 0.00 C ATOM 396 OE1 GLU A 27 4.014 -1.707 -6.279 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.045 -2.539 -6.547 1.00 0.00 O ATOM 0 H GLU A 27 6.145 -3.154 -2.335 1.00 0.00 H new ATOM 0 HA GLU A 27 3.429 -3.071 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.815 -1.881 -3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.796 -3.368 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.143 -3.195 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.497 -1.499 -3.861 1.00 0.00 H new ATOM 404 N LYS A 28 4.061 -5.915 -3.213 1.00 0.00 N ATOM 405 CA LYS A 28 3.412 -7.239 -3.473 1.00 0.00 C ATOM 406 C LYS A 28 2.896 -7.790 -2.144 1.00 0.00 C ATOM 407 O LYS A 28 1.777 -8.255 -2.041 1.00 0.00 O ATOM 408 CB LYS A 28 4.513 -8.140 -4.037 1.00 0.00 C ATOM 409 CG LYS A 28 5.065 -7.539 -5.332 1.00 0.00 C ATOM 410 CD LYS A 28 6.502 -8.022 -5.542 1.00 0.00 C ATOM 411 CE LYS A 28 6.495 -9.285 -6.406 1.00 0.00 C ATOM 412 NZ LYS A 28 7.749 -9.210 -7.206 1.00 0.00 N ATOM 0 H LYS A 28 5.061 -5.872 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 28 2.574 -7.172 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.314 -8.250 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.117 -9.137 -4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.443 -7.834 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.039 -6.450 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.092 -7.242 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.972 -8.229 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.472 -10.184 -5.791 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.617 -9.318 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.816 -10.043 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.739 -8.347 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.568 -9.187 -6.566 1.00 0.00 H new ATOM 426 N VAL A 29 3.704 -7.699 -1.120 1.00 0.00 N ATOM 427 CA VAL A 29 3.270 -8.171 0.229 1.00 0.00 C ATOM 428 C VAL A 29 2.159 -7.245 0.731 1.00 0.00 C ATOM 429 O VAL A 29 1.228 -7.678 1.384 1.00 0.00 O ATOM 430 CB VAL A 29 4.534 -8.071 1.110 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.171 -8.091 2.605 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.454 -9.254 0.802 1.00 0.00 C ATOM 0 H VAL A 29 4.649 -7.317 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 29 2.875 -9.187 0.234 1.00 0.00 H new ATOM 0 HB VAL A 29 5.036 -7.129 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.081 -8.019 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.520 -7.247 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.655 -9.021 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.349 -9.190 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.931 -10.186 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.738 -9.230 -0.250 1.00 0.00 H new ATOM 442 N LEU A 30 2.255 -5.973 0.439 1.00 0.00 N ATOM 443 CA LEU A 30 1.205 -5.028 0.907 1.00 0.00 C ATOM 444 C LEU A 30 -0.106 -5.379 0.211 1.00 0.00 C ATOM 445 O LEU A 30 -1.171 -5.270 0.780 1.00 0.00 O ATOM 446 CB LEU A 30 1.707 -3.628 0.513 1.00 0.00 C ATOM 447 CG LEU A 30 2.806 -3.094 1.479 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.171 -2.398 2.678 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.729 -4.201 2.004 1.00 0.00 C ATOM 0 H LEU A 30 3.012 -5.553 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 30 1.025 -5.075 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.104 -3.660 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.867 -2.934 0.504 1.00 0.00 H new ATOM 0 HG LEU A 30 3.404 -2.395 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.954 -2.031 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.565 -1.560 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.540 -3.105 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.474 -3.768 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.139 -4.939 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.231 -4.684 1.166 1.00 0.00 H new ATOM 461 N LYS A 31 -0.024 -5.853 -1.009 1.00 0.00 N ATOM 462 CA LYS A 31 -1.259 -6.273 -1.739 1.00 0.00 C ATOM 463 C LYS A 31 -1.892 -7.426 -0.972 1.00 0.00 C ATOM 464 O LYS A 31 -3.085 -7.468 -0.745 1.00 0.00 O ATOM 465 CB LYS A 31 -0.774 -6.774 -3.100 1.00 0.00 C ATOM 466 CG LYS A 31 -1.895 -6.627 -4.137 1.00 0.00 C ATOM 467 CD LYS A 31 -2.945 -7.731 -3.936 1.00 0.00 C ATOM 468 CE LYS A 31 -2.282 -9.111 -4.053 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.079 -9.845 -5.077 1.00 0.00 N ATOM 0 H LYS A 31 0.846 -5.967 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.987 -5.468 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.102 -6.207 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.469 -7.818 -3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.363 -5.647 -4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.481 -6.687 -5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.414 -7.625 -2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.735 -7.633 -4.680 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.239 -9.022 -4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.292 -9.635 -3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.682 -10.797 -5.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.066 -9.922 -4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.045 -9.328 -5.979 1.00 0.00 H new ATOM 483 N GLN A 32 -1.073 -8.358 -0.554 1.00 0.00 N ATOM 484 CA GLN A 32 -1.583 -9.523 0.230 1.00 0.00 C ATOM 485 C GLN A 32 -2.346 -9.014 1.458 1.00 0.00 C ATOM 486 O GLN A 32 -3.394 -9.523 1.807 1.00 0.00 O ATOM 487 CB GLN A 32 -0.342 -10.301 0.649 1.00 0.00 C ATOM 488 CG GLN A 32 -0.057 -11.402 -0.374 1.00 0.00 C ATOM 489 CD GLN A 32 0.637 -12.576 0.319 1.00 0.00 C ATOM 490 OE1 GLN A 32 0.010 -13.568 0.632 1.00 0.00 O ATOM 491 NE2 GLN A 32 1.915 -12.505 0.573 1.00 0.00 N ATOM 0 H GLN A 32 -0.067 -8.361 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.267 -10.148 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.513 -9.629 0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.490 -10.738 1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.987 -11.736 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.573 -11.015 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.442 -11.672 0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.387 -13.283 1.034 1.00 0.00 H new ATOM 500 N TYR A 33 -1.835 -7.984 2.089 1.00 0.00 N ATOM 501 CA TYR A 33 -2.538 -7.398 3.270 1.00 0.00 C ATOM 502 C TYR A 33 -3.882 -6.830 2.801 1.00 0.00 C ATOM 503 O TYR A 33 -4.897 -6.974 3.454 1.00 0.00 O ATOM 504 CB TYR A 33 -1.612 -6.282 3.772 1.00 0.00 C ATOM 505 CG TYR A 33 -2.275 -5.549 4.905 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.256 -6.100 6.185 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.919 -4.329 4.671 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.878 -5.435 7.240 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.541 -3.659 5.727 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.522 -4.211 7.015 1.00 0.00 C ATOM 511 OH TYR A 33 -4.138 -3.552 8.059 1.00 0.00 O ATOM 0 H TYR A 33 -0.960 -7.525 1.836 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.740 -8.122 4.059 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.664 -6.704 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.386 -5.590 2.960 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.759 -7.043 6.359 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.935 -3.907 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.864 -5.863 8.231 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.037 -2.716 5.551 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.535 -2.718 7.731 1.00 0.00 H new ATOM 521 N ILE A 34 -3.880 -6.198 1.657 1.00 0.00 N ATOM 522 CA ILE A 34 -5.142 -5.623 1.101 1.00 0.00 C ATOM 523 C ILE A 34 -6.103 -6.763 0.741 1.00 0.00 C ATOM 524 O ILE A 34 -7.308 -6.603 0.766 1.00 0.00 O ATOM 525 CB ILE A 34 -4.704 -4.858 -0.156 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.709 -3.742 0.246 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.932 -4.277 -0.880 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.437 -2.522 0.823 1.00 0.00 C ATOM 0 H ILE A 34 -3.052 -6.054 1.079 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.662 -4.973 1.805 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.205 -5.538 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.005 -4.129 0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.126 -3.441 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.608 -3.737 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.600 -5.088 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.459 -3.595 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.708 -1.758 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.122 -2.121 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.999 -2.819 1.709 1.00 0.00 H new ATOM 540 N ASN A 35 -5.568 -7.913 0.408 1.00 0.00 N ATOM 541 CA ASN A 35 -6.435 -9.078 0.045 1.00 0.00 C ATOM 542 C ASN A 35 -7.367 -9.431 1.209 1.00 0.00 C ATOM 543 O ASN A 35 -8.445 -9.960 1.011 1.00 0.00 O ATOM 544 CB ASN A 35 -5.464 -10.229 -0.230 1.00 0.00 C ATOM 545 CG ASN A 35 -6.215 -11.383 -0.897 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.381 -11.599 -0.631 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.592 -12.140 -1.758 1.00 0.00 N ATOM 0 H ASN A 35 -4.565 -8.095 0.372 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.069 -8.864 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.653 -9.889 -0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.011 -10.567 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.084 -12.913 -2.207 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.613 -11.959 -1.982 1.00 0.00 H new ATOM 554 N ASP A 36 -6.956 -9.142 2.418 1.00 0.00 N ATOM 555 CA ASP A 36 -7.813 -9.458 3.602 1.00 0.00 C ATOM 556 C ASP A 36 -8.926 -8.415 3.741 1.00 0.00 C ATOM 557 O ASP A 36 -10.096 -8.746 3.772 1.00 0.00 O ATOM 558 CB ASP A 36 -6.871 -9.400 4.805 1.00 0.00 C ATOM 559 CG ASP A 36 -7.571 -9.989 6.031 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.887 -11.167 5.999 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.781 -9.252 6.980 1.00 0.00 O ATOM 0 H ASP A 36 -6.063 -8.700 2.637 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.297 -10.431 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.958 -9.956 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.578 -8.369 5.001 1.00 0.00 H new ATOM 566 N ASN A 37 -8.566 -7.159 3.823 1.00 0.00 N ATOM 567 CA ASN A 37 -9.600 -6.086 3.959 1.00 0.00 C ATOM 568 C ASN A 37 -10.521 -6.084 2.737 1.00 0.00 C ATOM 569 O ASN A 37 -11.687 -5.750 2.829 1.00 0.00 O ATOM 570 CB ASN A 37 -8.815 -4.774 4.039 1.00 0.00 C ATOM 571 CG ASN A 37 -7.909 -4.795 5.271 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.082 -5.673 5.417 1.00 0.00 O ATOM 573 ND2 ASN A 37 -8.030 -3.858 6.171 1.00 0.00 N ATOM 0 H ASN A 37 -7.601 -6.829 3.802 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.230 -6.234 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.217 -4.640 3.137 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.502 -3.930 4.094 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.431 -3.863 6.996 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.724 -3.120 6.049 1.00 0.00 H new ATOM 580 N GLY A 38 -10.002 -6.457 1.594 1.00 0.00 N ATOM 581 CA GLY A 38 -10.838 -6.482 0.358 1.00 0.00 C ATOM 582 C GLY A 38 -10.876 -5.085 -0.264 1.00 0.00 C ATOM 583 O GLY A 38 -11.844 -4.706 -0.896 1.00 0.00 O ATOM 0 H GLY A 38 -9.032 -6.746 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.429 -7.198 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.849 -6.812 0.597 1.00 0.00 H new ATOM 587 N ILE A 39 -9.830 -4.318 -0.088 1.00 0.00 N ATOM 588 CA ILE A 39 -9.798 -2.942 -0.669 1.00 0.00 C ATOM 589 C ILE A 39 -8.709 -2.849 -1.743 1.00 0.00 C ATOM 590 O ILE A 39 -7.669 -2.254 -1.533 1.00 0.00 O ATOM 591 CB ILE A 39 -9.481 -2.015 0.512 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.567 -2.150 1.594 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.418 -0.561 0.031 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.944 -1.791 1.019 1.00 0.00 C ATOM 0 H ILE A 39 -8.996 -4.586 0.434 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.739 -2.673 -1.150 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.517 -2.299 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.581 -3.170 1.978 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.335 -1.496 2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.193 0.092 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.638 -0.461 -0.724 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.378 -0.278 -0.400 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.701 -1.892 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.930 -0.763 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.180 -2.463 0.194 1.00 0.00 H new ATOM 606 N ASP A 40 -8.946 -3.431 -2.891 1.00 0.00 N ATOM 607 CA ASP A 40 -7.933 -3.379 -3.988 1.00 0.00 C ATOM 608 C ASP A 40 -8.569 -2.814 -5.261 1.00 0.00 C ATOM 609 O ASP A 40 -9.408 -3.445 -5.876 1.00 0.00 O ATOM 610 CB ASP A 40 -7.505 -4.832 -4.202 1.00 0.00 C ATOM 611 CG ASP A 40 -6.402 -4.888 -5.261 1.00 0.00 C ATOM 612 OD1 ASP A 40 -6.648 -4.438 -6.368 1.00 0.00 O ATOM 613 OD2 ASP A 40 -5.331 -5.380 -4.947 1.00 0.00 O ATOM 0 H ASP A 40 -9.800 -3.941 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.086 -2.738 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.146 -5.258 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.359 -5.431 -4.519 1.00 0.00 H new ATOM 618 N GLY A 41 -8.178 -1.628 -5.655 1.00 0.00 N ATOM 619 CA GLY A 41 -8.760 -1.014 -6.884 1.00 0.00 C ATOM 620 C GLY A 41 -7.660 -0.321 -7.690 1.00 0.00 C ATOM 621 O GLY A 41 -7.145 -0.867 -8.647 1.00 0.00 O ATOM 0 H GLY A 41 -7.480 -1.059 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.240 -1.781 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.532 -0.294 -6.611 1.00 0.00 H new ATOM 625 N GLU A 42 -7.304 0.882 -7.314 1.00 0.00 N ATOM 626 CA GLU A 42 -6.242 1.621 -8.062 1.00 0.00 C ATOM 627 C GLU A 42 -5.137 2.086 -7.109 1.00 0.00 C ATOM 628 O GLU A 42 -5.377 2.856 -6.198 1.00 0.00 O ATOM 629 CB GLU A 42 -6.958 2.831 -8.677 1.00 0.00 C ATOM 630 CG GLU A 42 -7.138 2.621 -10.186 1.00 0.00 C ATOM 631 CD GLU A 42 -8.579 2.195 -10.479 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.481 2.904 -10.065 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.754 1.167 -11.112 1.00 0.00 O ATOM 0 H GLU A 42 -7.703 1.384 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.765 0.996 -8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.929 2.970 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.381 3.738 -8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.905 3.541 -10.721 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.444 1.860 -10.542 1.00 0.00 H new ATOM 640 N TRP A 43 -3.928 1.630 -7.323 1.00 0.00 N ATOM 641 CA TRP A 43 -2.801 2.051 -6.440 1.00 0.00 C ATOM 642 C TRP A 43 -2.003 3.162 -7.123 1.00 0.00 C ATOM 643 O TRP A 43 -2.044 3.312 -8.330 1.00 0.00 O ATOM 644 CB TRP A 43 -1.905 0.821 -6.277 1.00 0.00 C ATOM 645 CG TRP A 43 -2.548 -0.222 -5.418 1.00 0.00 C ATOM 646 CD1 TRP A 43 -3.869 -0.520 -5.357 1.00 0.00 C ATOM 647 CD2 TRP A 43 -1.889 -1.121 -4.494 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.048 -1.564 -4.470 1.00 0.00 N ATOM 649 CE2 TRP A 43 -2.857 -1.959 -3.903 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.550 -1.282 -4.120 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.507 -2.930 -2.970 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.190 -2.256 -3.176 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.167 -3.078 -2.602 1.00 0.00 C ATOM 0 H TRP A 43 -3.674 0.985 -8.071 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.164 2.421 -5.481 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.684 0.399 -7.258 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.954 1.119 -5.837 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.652 -0.023 -5.910 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.951 -1.990 -4.261 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.210 -0.653 -4.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.265 -3.564 -2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.845 -2.372 -2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.885 -3.826 -1.875 1.00 0.00 H new ATOM 664 N THR A 44 -1.262 3.923 -6.363 1.00 0.00 N ATOM 665 CA THR A 44 -0.434 5.008 -6.965 1.00 0.00 C ATOM 666 C THR A 44 0.824 5.217 -6.126 1.00 0.00 C ATOM 667 O THR A 44 0.762 5.348 -4.918 1.00 0.00 O ATOM 668 CB THR A 44 -1.305 6.265 -6.948 1.00 0.00 C ATOM 669 OG1 THR A 44 -1.647 6.590 -5.609 1.00 0.00 O ATOM 670 CG2 THR A 44 -2.579 6.025 -7.762 1.00 0.00 C ATOM 0 H THR A 44 -1.194 3.840 -5.349 1.00 0.00 H new ATOM 0 HA THR A 44 -0.118 4.765 -7.979 1.00 0.00 H new ATOM 0 HB THR A 44 -0.749 7.092 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.204 7.396 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.196 6.924 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.313 5.785 -8.792 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.137 5.195 -7.329 1.00 0.00 H new ATOM 678 N TYR A 45 1.963 5.245 -6.761 1.00 0.00 N ATOM 679 CA TYR A 45 3.238 5.441 -6.012 1.00 0.00 C ATOM 680 C TYR A 45 3.623 6.924 -6.028 1.00 0.00 C ATOM 681 O TYR A 45 3.178 7.671 -6.880 1.00 0.00 O ATOM 682 CB TYR A 45 4.276 4.616 -6.774 1.00 0.00 C ATOM 683 CG TYR A 45 5.596 4.661 -6.043 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.666 4.283 -4.697 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.751 5.081 -6.713 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.891 4.325 -4.021 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.976 5.122 -6.038 1.00 0.00 C ATOM 688 CZ TYR A 45 8.046 4.744 -4.691 1.00 0.00 C ATOM 689 OH TYR A 45 9.254 4.785 -4.025 1.00 0.00 O ATOM 0 H TYR A 45 2.067 5.140 -7.770 1.00 0.00 H new ATOM 0 HA TYR A 45 3.160 5.135 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.937 3.585 -6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.395 5.007 -7.785 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.775 3.959 -4.180 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.697 5.373 -7.751 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.945 4.034 -2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.867 5.445 -6.555 1.00 0.00 H new ATOM 0 HH TYR A 45 9.954 5.097 -4.636 1.00 0.00 H new ATOM 699 N ASP A 46 4.446 7.357 -5.104 1.00 0.00 N ATOM 700 CA ASP A 46 4.856 8.799 -5.088 1.00 0.00 C ATOM 701 C ASP A 46 6.296 8.943 -4.594 1.00 0.00 C ATOM 702 O ASP A 46 6.599 8.671 -3.445 1.00 0.00 O ATOM 703 CB ASP A 46 3.899 9.512 -4.121 1.00 0.00 C ATOM 704 CG ASP A 46 2.442 9.208 -4.489 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.952 8.168 -4.079 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.843 10.020 -5.176 1.00 0.00 O ATOM 0 H ASP A 46 4.850 6.781 -4.365 1.00 0.00 H new ATOM 0 HA ASP A 46 4.808 9.228 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.097 9.189 -3.099 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.072 10.588 -4.155 1.00 0.00 H new ATOM 711 N ASP A 47 7.180 9.390 -5.450 1.00 0.00 N ATOM 712 CA ASP A 47 8.602 9.582 -5.031 1.00 0.00 C ATOM 713 C ASP A 47 8.692 10.674 -3.953 1.00 0.00 C ATOM 714 O ASP A 47 9.690 10.800 -3.270 1.00 0.00 O ATOM 715 CB ASP A 47 9.350 10.010 -6.301 1.00 0.00 C ATOM 716 CG ASP A 47 8.727 11.288 -6.871 1.00 0.00 C ATOM 717 OD1 ASP A 47 9.029 12.352 -6.355 1.00 0.00 O ATOM 718 OD2 ASP A 47 7.959 11.181 -7.813 1.00 0.00 O ATOM 0 H ASP A 47 6.979 9.630 -6.421 1.00 0.00 H new ATOM 0 HA ASP A 47 9.029 8.675 -4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.402 10.179 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.308 9.213 -7.043 1.00 0.00 H new ATOM 723 N ALA A 48 7.651 11.466 -3.797 1.00 0.00 N ATOM 724 CA ALA A 48 7.655 12.558 -2.766 1.00 0.00 C ATOM 725 C ALA A 48 8.116 12.029 -1.402 1.00 0.00 C ATOM 726 O ALA A 48 9.060 12.530 -0.819 1.00 0.00 O ATOM 727 CB ALA A 48 6.197 13.016 -2.682 1.00 0.00 C ATOM 0 H ALA A 48 6.793 11.401 -4.345 1.00 0.00 H new ATOM 0 HA ALA A 48 8.338 13.364 -3.035 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.109 13.817 -1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.873 13.380 -3.657 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.569 12.177 -2.381 1.00 0.00 H new ATOM 733 N THR A 49 7.453 11.023 -0.896 1.00 0.00 N ATOM 734 CA THR A 49 7.840 10.453 0.428 1.00 0.00 C ATOM 735 C THR A 49 7.753 8.925 0.392 1.00 0.00 C ATOM 736 O THR A 49 7.292 8.307 1.331 1.00 0.00 O ATOM 737 CB THR A 49 6.828 11.030 1.427 1.00 0.00 C ATOM 738 OG1 THR A 49 7.098 10.509 2.721 1.00 0.00 O ATOM 739 CG2 THR A 49 5.399 10.654 1.013 1.00 0.00 C ATOM 0 H THR A 49 6.657 10.570 -1.345 1.00 0.00 H new ATOM 0 HA THR A 49 8.865 10.705 0.701 1.00 0.00 H new ATOM 0 HB THR A 49 6.918 12.116 1.438 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.162 9.532 2.673 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.691 11.070 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.190 11.056 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.300 9.569 0.993 1.00 0.00 H new ATOM 747 N LYS A 50 8.200 8.322 -0.695 1.00 0.00 N ATOM 748 CA LYS A 50 8.169 6.819 -0.858 1.00 0.00 C ATOM 749 C LYS A 50 6.903 6.195 -0.251 1.00 0.00 C ATOM 750 O LYS A 50 6.970 5.321 0.592 1.00 0.00 O ATOM 751 CB LYS A 50 9.439 6.281 -0.172 1.00 0.00 C ATOM 752 CG LYS A 50 9.486 6.688 1.304 1.00 0.00 C ATOM 753 CD LYS A 50 10.622 5.936 2.003 1.00 0.00 C ATOM 754 CE LYS A 50 10.122 4.570 2.486 1.00 0.00 C ATOM 755 NZ LYS A 50 10.787 3.576 1.598 1.00 0.00 N ATOM 0 H LYS A 50 8.594 8.819 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 50 8.146 6.553 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.467 5.194 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.322 6.662 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.639 7.764 1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.535 6.461 1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.459 5.805 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.990 6.518 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.383 4.402 3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.037 4.499 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.067 3.063 1.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.431 4.069 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.329 2.902 2.176 1.00 0.00 H new ATOM 769 N THR A 51 5.753 6.648 -0.684 1.00 0.00 N ATOM 770 CA THR A 51 4.473 6.098 -0.149 1.00 0.00 C ATOM 771 C THR A 51 3.651 5.484 -1.289 1.00 0.00 C ATOM 772 O THR A 51 3.965 5.660 -2.451 1.00 0.00 O ATOM 773 CB THR A 51 3.750 7.307 0.455 1.00 0.00 C ATOM 774 OG1 THR A 51 4.560 7.881 1.472 1.00 0.00 O ATOM 775 CG2 THR A 51 2.415 6.866 1.059 1.00 0.00 C ATOM 0 H THR A 51 5.647 7.378 -1.388 1.00 0.00 H new ATOM 0 HA THR A 51 4.629 5.310 0.588 1.00 0.00 H new ATOM 0 HB THR A 51 3.565 8.043 -0.328 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.505 7.786 1.230 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.906 7.730 1.487 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.791 6.426 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.595 6.128 1.840 1.00 0.00 H new ATOM 783 N TRP A 52 2.610 4.760 -0.963 1.00 0.00 N ATOM 784 CA TRP A 52 1.770 4.125 -2.023 1.00 0.00 C ATOM 785 C TRP A 52 0.291 4.459 -1.817 1.00 0.00 C ATOM 786 O TRP A 52 -0.061 5.282 -0.993 1.00 0.00 O ATOM 787 CB TRP A 52 1.976 2.627 -1.840 1.00 0.00 C ATOM 788 CG TRP A 52 3.243 2.191 -2.491 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.436 2.052 -1.873 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.449 1.816 -3.873 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.370 1.626 -2.803 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.805 1.465 -4.054 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.590 1.755 -4.974 1.00 0.00 C ATOM 794 CZ2 TRP A 52 5.292 1.063 -5.299 1.00 0.00 C ATOM 795 CZ3 TRP A 52 3.071 1.351 -6.230 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.421 1.006 -6.393 1.00 0.00 C ATOM 0 H TRP A 52 2.305 4.581 -0.006 1.00 0.00 H new ATOM 0 HA TRP A 52 2.047 4.476 -3.017 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.004 2.385 -0.778 1.00 0.00 H new ATOM 0 HB3 TRP A 52 1.134 2.083 -2.269 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.629 2.242 -0.828 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.353 1.453 -2.591 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.550 2.020 -4.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.332 0.798 -5.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.399 1.306 -7.074 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.787 0.697 -7.361 1.00 0.00 H new ATOM 807 N THR A 53 -0.578 3.808 -2.555 1.00 0.00 N ATOM 808 CA THR A 53 -2.040 4.064 -2.403 1.00 0.00 C ATOM 809 C THR A 53 -2.850 2.847 -2.868 1.00 0.00 C ATOM 810 O THR A 53 -2.321 1.918 -3.446 1.00 0.00 O ATOM 811 CB THR A 53 -2.340 5.274 -3.291 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.289 6.224 -3.175 1.00 0.00 O ATOM 813 CG2 THR A 53 -3.658 5.914 -2.854 1.00 0.00 C ATOM 0 H THR A 53 -0.333 3.109 -3.257 1.00 0.00 H new ATOM 0 HA THR A 53 -2.310 4.248 -1.363 1.00 0.00 H new ATOM 0 HB THR A 53 -2.420 4.950 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.000 6.503 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.871 6.776 -3.487 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.464 5.187 -2.948 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.579 6.237 -1.816 1.00 0.00 H new ATOM 821 N VAL A 54 -4.134 2.853 -2.609 1.00 0.00 N ATOM 822 CA VAL A 54 -5.013 1.704 -3.017 1.00 0.00 C ATOM 823 C VAL A 54 -6.473 2.044 -2.675 1.00 0.00 C ATOM 824 O VAL A 54 -6.915 1.870 -1.555 1.00 0.00 O ATOM 825 CB VAL A 54 -4.505 0.465 -2.224 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.237 0.833 -0.768 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.539 -0.671 -2.250 1.00 0.00 C ATOM 0 H VAL A 54 -4.619 3.610 -2.128 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.972 1.502 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.584 0.132 -2.702 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.883 -0.046 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.479 1.615 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.157 1.193 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.157 -1.523 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.469 -0.326 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.725 -0.970 -3.282 1.00 0.00 H new ATOM 837 N THR A 55 -7.215 2.529 -3.637 1.00 0.00 N ATOM 838 CA THR A 55 -8.643 2.889 -3.384 1.00 0.00 C ATOM 839 C THR A 55 -9.568 1.774 -3.880 1.00 0.00 C ATOM 840 O THR A 55 -9.309 1.149 -4.891 1.00 0.00 O ATOM 841 CB THR A 55 -8.873 4.173 -4.184 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.748 5.029 -4.040 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.124 4.883 -3.664 1.00 0.00 C ATOM 0 H THR A 55 -6.892 2.692 -4.591 1.00 0.00 H new ATOM 0 HA THR A 55 -8.853 3.025 -2.323 1.00 0.00 H new ATOM 0 HB THR A 55 -9.009 3.925 -5.237 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.894 5.851 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.287 5.797 -4.234 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.987 4.227 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.990 5.131 -2.611 1.00 0.00 H new ATOM 851 N GLU A 56 -10.644 1.524 -3.176 1.00 0.00 N ATOM 852 CA GLU A 56 -11.592 0.450 -3.604 1.00 0.00 C ATOM 853 C GLU A 56 -12.380 0.902 -4.837 1.00 0.00 C ATOM 854 O GLU A 56 -12.175 0.324 -5.891 1.00 0.00 O ATOM 855 CB GLU A 56 -12.532 0.242 -2.415 1.00 0.00 C ATOM 856 CG GLU A 56 -13.309 -1.062 -2.600 1.00 0.00 C ATOM 857 CD GLU A 56 -14.639 -0.771 -3.298 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.632 -0.641 -4.511 1.00 0.00 O ATOM 859 OE2 GLU A 56 -15.640 -0.681 -2.608 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.175 1.818 -4.704 1.00 0.00 O ATOM 0 H GLU A 56 -10.907 2.018 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.073 -0.470 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.960 0.208 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.223 1.081 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.723 -1.766 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.489 -1.530 -1.632 1.00 0.00 H new