USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 429 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 21 CYS SG : rot -81:sc= -1.13 USER MOD Set 1.2: A 26 CYS SG : rot 174:sc= 0.397 USER MOD Set 1.3: A 31 CYS SG : rot -99:sc= 0.695 USER MOD Set 1.4: A 34 CYS SG : rot -131:sc= -2.41! USER MOD Set 1.5: A 60 CYS SG : rot 146:sc= 0.132 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.453 USER MOD Set 2.2: A 42 ASN : amide:sc= 0 X(o=-0.45,f=-0.53) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= -0.0215 (180deg=-0.167) USER MOD Single : A 8 HIS : no HD1:sc= -0.0466 X(o=-0.047,f=-0.025) USER MOD Single : A 13 TYR OH : rot -5:sc= 0.742 USER MOD Single : A 15 HIS : no HE2:sc= -0.102 K(o=-0.1,f=-1.5) USER MOD Single : A 16 GLN : amide:sc= -1.04 K(o=-1,f=-8.6!) USER MOD Single : A 18 THR OG1 : rot -141:sc= -1.63! USER MOD Single : A 23 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.43) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.127 K(o=0.13,f=-5!) USER MOD Single : A 33 SER OG : rot 109:sc= 0.579 USER MOD Single : A 36 THR OG1 : rot -179:sc= -0.186 USER MOD Single : A 40 MET CE :methyl 176:sc= -0.405 (180deg=-0.445) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= -1.11 (180deg=-1.11) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0.0023) USER MOD Single : A 58 LYS NZ :NH3+ 173:sc= 0.429 (180deg=0.406) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 4.984 8.500 -2.405 1.00 0.00 N ATOM 65 CA ALA A 4 4.941 9.987 -2.393 1.00 0.00 C ATOM 66 C ALA A 4 5.800 10.646 -3.499 1.00 0.00 C ATOM 67 O ALA A 4 5.264 11.339 -4.364 1.00 0.00 O ATOM 68 CB ALA A 4 5.359 10.514 -1.006 1.00 0.00 C ATOM 0 HA ALA A 4 3.909 10.267 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.325 11.603 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.675 10.129 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.373 10.183 -0.781 1.00 0.00 H new ATOM 74 N ALA A 5 7.120 10.366 -3.486 1.00 0.00 N ATOM 75 CA ALA A 5 8.099 10.971 -4.421 1.00 0.00 C ATOM 76 C ALA A 5 7.804 10.608 -5.894 1.00 0.00 C ATOM 77 O ALA A 5 7.962 11.439 -6.792 1.00 0.00 O ATOM 78 CB ALA A 5 9.523 10.533 -4.033 1.00 0.00 C ATOM 0 H ALA A 5 7.541 9.712 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 5 8.013 12.054 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.241 10.979 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.741 10.863 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.596 9.447 -4.085 1.00 0.00 H new ATOM 84 N ALA A 6 7.345 9.363 -6.105 1.00 0.00 N ATOM 85 CA ALA A 6 7.011 8.827 -7.432 1.00 0.00 C ATOM 86 C ALA A 6 5.741 9.483 -7.994 1.00 0.00 C ATOM 87 O ALA A 6 5.653 9.755 -9.192 1.00 0.00 O ATOM 88 CB ALA A 6 6.845 7.305 -7.346 1.00 0.00 C ATOM 0 H ALA A 6 7.194 8.694 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 6 7.827 9.058 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.597 6.910 -8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.776 6.857 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.044 7.065 -6.647 1.00 0.00 H new ATOM 94 N LYS A 7 4.782 9.751 -7.091 1.00 0.00 N ATOM 95 CA LYS A 7 3.499 10.390 -7.418 1.00 0.00 C ATOM 96 C LYS A 7 3.720 11.863 -7.763 1.00 0.00 C ATOM 97 O LYS A 7 3.110 12.374 -8.694 1.00 0.00 O ATOM 98 CB LYS A 7 2.518 10.255 -6.225 1.00 0.00 C ATOM 99 CG LYS A 7 2.107 8.796 -5.900 1.00 0.00 C ATOM 100 CD LYS A 7 1.193 8.157 -6.981 1.00 0.00 C ATOM 101 CE LYS A 7 -0.183 8.848 -7.086 1.00 0.00 C ATOM 102 NZ LYS A 7 -0.917 8.854 -5.795 1.00 0.00 N ATOM 0 H LYS A 7 4.879 9.526 -6.101 1.00 0.00 H new ATOM 0 HA LYS A 7 3.064 9.891 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.977 10.697 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.620 10.834 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.006 8.189 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.590 8.777 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.693 8.205 -7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.048 7.102 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.045 9.874 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.784 8.340 -7.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.889 9.189 -5.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.941 7.890 -5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.436 9.487 -5.125 1.00 0.00 H new ATOM 116 N HIS A 8 4.621 12.525 -6.999 1.00 0.00 N ATOM 117 CA HIS A 8 5.040 13.920 -7.264 1.00 0.00 C ATOM 118 C HIS A 8 5.716 14.028 -8.631 1.00 0.00 C ATOM 119 O HIS A 8 5.570 15.042 -9.305 1.00 0.00 O ATOM 120 CB HIS A 8 5.996 14.459 -6.163 1.00 0.00 C ATOM 121 CG HIS A 8 5.336 14.744 -4.831 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.302 15.642 -4.684 1.00 0.00 N ATOM 123 CD2 HIS A 8 5.570 14.256 -3.589 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.946 15.703 -3.420 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.700 14.872 -2.732 1.00 0.00 N ATOM 0 H HIS A 8 5.075 12.109 -6.186 1.00 0.00 H new ATOM 0 HA HIS A 8 4.138 14.532 -7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.795 13.734 -6.009 1.00 0.00 H new ATOM 0 HB3 HIS A 8 6.463 15.375 -6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 8 6.309 13.515 -3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.166 16.330 -3.014 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.645 14.714 -1.726 1.00 0.00 H new ATOM 134 N LEU A 9 6.461 12.967 -9.011 1.00 0.00 N ATOM 135 CA LEU A 9 7.150 12.879 -10.312 1.00 0.00 C ATOM 136 C LEU A 9 6.143 12.679 -11.459 1.00 0.00 C ATOM 137 O LEU A 9 6.327 13.239 -12.540 1.00 0.00 O ATOM 138 CB LEU A 9 8.243 11.756 -10.288 1.00 0.00 C ATOM 139 CG LEU A 9 9.728 12.239 -10.222 1.00 0.00 C ATOM 140 CD1 LEU A 9 10.141 12.934 -11.536 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.958 13.162 -9.010 1.00 0.00 C ATOM 0 H LEU A 9 6.600 12.147 -8.421 1.00 0.00 H new ATOM 0 HA LEU A 9 7.660 13.825 -10.495 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.054 11.112 -9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.122 11.141 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 9 10.360 11.360 -10.095 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.178 13.261 -11.464 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.037 12.235 -12.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.499 13.798 -11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.000 13.483 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.311 14.035 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.726 12.622 -8.092 1.00 0.00 H new ATOM 153 N ILE A 10 5.077 11.886 -11.213 1.00 0.00 N ATOM 154 CA ILE A 10 3.978 11.716 -12.190 1.00 0.00 C ATOM 155 C ILE A 10 3.258 13.067 -12.396 1.00 0.00 C ATOM 156 O ILE A 10 2.892 13.413 -13.519 1.00 0.00 O ATOM 157 CB ILE A 10 2.936 10.619 -11.746 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.618 9.225 -11.573 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.752 10.520 -12.752 1.00 0.00 C ATOM 160 CD1 ILE A 10 2.731 8.167 -10.934 1.00 0.00 C ATOM 0 H ILE A 10 4.954 11.356 -10.350 1.00 0.00 H new ATOM 0 HA ILE A 10 4.423 11.376 -13.125 1.00 0.00 H new ATOM 0 HB ILE A 10 2.537 10.927 -10.780 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.941 8.868 -12.551 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.515 9.346 -10.965 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.052 9.755 -12.416 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.240 11.481 -12.807 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.134 10.255 -13.738 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.283 7.231 -10.852 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.428 8.498 -9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.846 8.013 -11.551 1.00 0.00 H new ATOM 172 N GLU A 11 3.074 13.809 -11.277 1.00 0.00 N ATOM 173 CA GLU A 11 2.513 15.177 -11.273 1.00 0.00 C ATOM 174 C GLU A 11 3.456 16.161 -11.994 1.00 0.00 C ATOM 175 O GLU A 11 2.983 17.064 -12.681 1.00 0.00 O ATOM 176 CB GLU A 11 2.200 15.661 -9.803 1.00 0.00 C ATOM 177 CG GLU A 11 0.741 15.460 -9.321 1.00 0.00 C ATOM 178 CD GLU A 11 0.260 13.999 -9.371 1.00 0.00 C ATOM 179 OE1 GLU A 11 -0.235 13.562 -10.434 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.368 13.283 -8.346 1.00 0.00 O ATOM 0 H GLU A 11 3.314 13.470 -10.345 1.00 0.00 H new ATOM 0 HA GLU A 11 1.571 15.154 -11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.864 15.134 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.443 16.721 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.654 15.825 -8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.079 16.071 -9.935 1.00 0.00 H new ATOM 187 N ARG A 12 4.787 15.974 -11.828 1.00 0.00 N ATOM 188 CA ARG A 12 5.814 16.812 -12.486 1.00 0.00 C ATOM 189 C ARG A 12 5.680 16.712 -14.003 1.00 0.00 C ATOM 190 O ARG A 12 5.622 17.735 -14.680 1.00 0.00 O ATOM 191 CB ARG A 12 7.254 16.403 -12.052 1.00 0.00 C ATOM 192 CG ARG A 12 7.719 16.895 -10.659 1.00 0.00 C ATOM 193 CD ARG A 12 8.039 18.410 -10.590 1.00 0.00 C ATOM 194 NE ARG A 12 6.826 19.269 -10.564 1.00 0.00 N ATOM 195 CZ ARG A 12 6.456 20.056 -9.539 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.133 20.059 -8.401 1.00 0.00 N ATOM 197 NH2 ARG A 12 5.399 20.835 -9.661 1.00 0.00 N ATOM 0 H ARG A 12 5.176 15.240 -11.236 1.00 0.00 H new ATOM 0 HA ARG A 12 5.650 17.843 -12.174 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.320 15.315 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.955 16.777 -12.798 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.943 16.666 -9.928 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.607 16.335 -10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.634 18.608 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.651 18.684 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 12 6.227 19.261 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.950 19.458 -8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.838 20.663 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.866 20.839 -10.531 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.115 21.434 -8.886 1.00 0.00 H new ATOM 211 N TYR A 13 5.625 15.464 -14.511 1.00 0.00 N ATOM 212 CA TYR A 13 5.494 15.191 -15.948 1.00 0.00 C ATOM 213 C TYR A 13 4.092 15.583 -16.462 1.00 0.00 C ATOM 214 O TYR A 13 3.988 16.189 -17.512 1.00 0.00 O ATOM 215 CB TYR A 13 5.827 13.707 -16.275 1.00 0.00 C ATOM 216 CG TYR A 13 7.328 13.351 -16.182 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.232 13.757 -17.176 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.846 12.622 -15.110 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.579 13.446 -17.096 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.187 12.315 -15.031 1.00 0.00 C ATOM 221 CZ TYR A 13 10.050 12.728 -16.022 1.00 0.00 C ATOM 222 OH TYR A 13 11.385 12.419 -15.932 1.00 0.00 O ATOM 0 H TYR A 13 5.670 14.623 -13.935 1.00 0.00 H new ATOM 0 HA TYR A 13 6.222 15.810 -16.472 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.271 13.064 -15.592 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.475 13.482 -17.282 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.869 14.324 -18.021 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.181 12.291 -14.326 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.257 13.766 -17.874 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.562 11.750 -14.191 1.00 0.00 H new ATOM 0 HH TYR A 13 11.845 12.717 -16.744 1.00 0.00 H new ATOM 232 N TYR A 14 3.028 15.284 -15.688 1.00 0.00 N ATOM 233 CA TYR A 14 1.626 15.569 -16.096 1.00 0.00 C ATOM 234 C TYR A 14 1.420 17.072 -16.318 1.00 0.00 C ATOM 235 O TYR A 14 0.959 17.505 -17.377 1.00 0.00 O ATOM 236 CB TYR A 14 0.614 15.052 -15.037 1.00 0.00 C ATOM 237 CG TYR A 14 -0.854 15.373 -15.373 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.451 14.859 -16.524 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.633 16.209 -14.558 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.759 15.152 -16.849 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.945 16.504 -14.884 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.502 15.973 -16.030 1.00 0.00 C ATOM 243 OH TYR A 14 -4.802 16.259 -16.367 1.00 0.00 O ATOM 0 H TYR A 14 3.109 14.843 -14.772 1.00 0.00 H new ATOM 0 HA TYR A 14 1.445 15.042 -17.033 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.727 13.972 -14.937 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.860 15.489 -14.069 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.876 14.217 -17.175 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.201 16.629 -13.662 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.200 14.738 -17.744 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.531 17.147 -14.244 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.193 16.850 -15.690 1.00 0.00 H new ATOM 253 N HIS A 15 1.802 17.842 -15.295 1.00 0.00 N ATOM 254 CA HIS A 15 1.699 19.308 -15.296 1.00 0.00 C ATOM 255 C HIS A 15 2.747 19.933 -16.221 1.00 0.00 C ATOM 256 O HIS A 15 2.616 21.090 -16.595 1.00 0.00 O ATOM 257 CB HIS A 15 1.753 19.870 -13.856 1.00 0.00 C ATOM 258 CG HIS A 15 0.572 19.425 -13.025 1.00 0.00 C ATOM 259 ND1 HIS A 15 0.658 18.519 -11.987 1.00 0.00 N ATOM 260 CD2 HIS A 15 -0.743 19.735 -13.126 1.00 0.00 C ATOM 261 CE1 HIS A 15 -0.545 18.298 -11.497 1.00 0.00 C ATOM 262 NE2 HIS A 15 -1.409 19.021 -12.170 1.00 0.00 N ATOM 0 H HIS A 15 2.196 17.463 -14.433 1.00 0.00 H new ATOM 0 HA HIS A 15 0.726 19.587 -15.700 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.676 19.546 -13.376 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.779 20.959 -13.894 1.00 0.00 H new ATOM 0 HD1 HIS A 15 1.519 18.088 -11.651 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.185 20.421 -13.833 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.780 17.633 -10.679 1.00 0.00 H new ATOM 271 N GLN A 16 3.809 19.172 -16.555 1.00 0.00 N ATOM 272 CA GLN A 16 4.747 19.549 -17.632 1.00 0.00 C ATOM 273 C GLN A 16 4.043 19.510 -19.013 1.00 0.00 C ATOM 274 O GLN A 16 4.236 20.414 -19.822 1.00 0.00 O ATOM 275 CB GLN A 16 5.999 18.627 -17.618 1.00 0.00 C ATOM 276 CG GLN A 16 6.919 18.731 -18.842 1.00 0.00 C ATOM 277 CD GLN A 16 8.123 17.785 -18.774 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.188 18.169 -18.305 1.00 0.00 O ATOM 279 NE2 GLN A 16 7.956 16.547 -19.222 1.00 0.00 N ATOM 0 H GLN A 16 4.039 18.292 -16.094 1.00 0.00 H new ATOM 0 HA GLN A 16 5.079 20.572 -17.453 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.584 18.854 -16.727 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.665 17.594 -17.525 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.343 18.512 -19.741 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.276 19.757 -18.934 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.056 16.261 -19.606 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.728 15.882 -19.182 1.00 0.00 H new ATOM 288 N LEU A 17 3.223 18.465 -19.272 1.00 0.00 N ATOM 289 CA LEU A 17 2.504 18.326 -20.566 1.00 0.00 C ATOM 290 C LEU A 17 1.244 19.225 -20.636 1.00 0.00 C ATOM 291 O LEU A 17 0.815 19.571 -21.741 1.00 0.00 O ATOM 292 CB LEU A 17 2.112 16.843 -20.875 1.00 0.00 C ATOM 293 CG LEU A 17 3.236 15.875 -21.411 1.00 0.00 C ATOM 294 CD1 LEU A 17 4.103 16.521 -22.515 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.106 15.292 -20.290 1.00 0.00 C ATOM 0 H LEU A 17 3.042 17.710 -18.610 1.00 0.00 H new ATOM 0 HA LEU A 17 3.209 18.659 -21.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.705 16.408 -19.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.306 16.857 -21.609 1.00 0.00 H new ATOM 0 HG LEU A 17 2.704 15.040 -21.867 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.860 15.810 -22.846 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.471 16.798 -23.359 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.591 17.412 -22.120 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.861 14.634 -20.720 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.596 16.103 -19.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.480 14.724 -19.601 1.00 0.00 H new ATOM 307 N THR A 18 0.640 19.573 -19.476 1.00 0.00 N ATOM 308 CA THR A 18 -0.594 20.394 -19.434 1.00 0.00 C ATOM 309 C THR A 18 -0.267 21.898 -19.282 1.00 0.00 C ATOM 310 O THR A 18 -0.662 22.722 -20.121 1.00 0.00 O ATOM 311 CB THR A 18 -1.561 19.935 -18.279 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.915 20.061 -17.002 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.033 18.485 -18.459 1.00 0.00 C ATOM 0 H THR A 18 0.987 19.298 -18.557 1.00 0.00 H new ATOM 0 HA THR A 18 -1.103 20.243 -20.386 1.00 0.00 H new ATOM 0 HB THR A 18 -2.433 20.587 -18.323 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.160 19.300 -16.435 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.697 18.214 -17.638 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.567 18.391 -19.405 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.170 17.819 -18.462 1.00 0.00 H new ATOM 321 N GLU A 19 0.463 22.241 -18.204 1.00 0.00 N ATOM 322 CA GLU A 19 0.779 23.645 -17.847 1.00 0.00 C ATOM 323 C GLU A 19 2.087 24.079 -18.520 1.00 0.00 C ATOM 324 O GLU A 19 2.190 25.182 -19.079 1.00 0.00 O ATOM 325 CB GLU A 19 0.915 23.812 -16.296 1.00 0.00 C ATOM 326 CG GLU A 19 -0.182 23.129 -15.452 1.00 0.00 C ATOM 327 CD GLU A 19 -1.608 23.568 -15.812 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.031 24.665 -15.394 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.321 22.812 -16.510 1.00 0.00 O ATOM 0 H GLU A 19 0.852 21.557 -17.555 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.040 24.273 -18.197 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.883 23.416 -15.990 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.918 24.877 -16.062 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.103 22.049 -15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.002 23.343 -14.398 1.00 0.00 H new ATOM 336 N GLY A 20 3.086 23.182 -18.451 1.00 0.00 N ATOM 337 CA GLY A 20 4.439 23.473 -18.881 1.00 0.00 C ATOM 338 C GLY A 20 5.284 23.960 -17.731 1.00 0.00 C ATOM 339 O GLY A 20 5.662 23.174 -16.857 1.00 0.00 O ATOM 0 H GLY A 20 2.964 22.235 -18.092 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.887 22.577 -19.311 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.419 24.228 -19.667 1.00 0.00 H new ATOM 343 N CYS A 21 5.607 25.255 -17.766 1.00 0.00 N ATOM 344 CA CYS A 21 6.289 25.964 -16.663 1.00 0.00 C ATOM 345 C CYS A 21 5.977 27.472 -16.680 1.00 0.00 C ATOM 346 O CYS A 21 6.491 28.214 -15.838 1.00 0.00 O ATOM 347 CB CYS A 21 7.817 25.739 -16.758 1.00 0.00 C ATOM 348 SG CYS A 21 8.530 26.167 -18.386 1.00 0.00 S ATOM 0 H CYS A 21 5.403 25.854 -18.566 1.00 0.00 H new ATOM 0 HA CYS A 21 5.917 25.557 -15.722 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.310 26.333 -15.989 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.034 24.693 -16.541 1.00 0.00 H new ATOM 0 HG CYS A 21 8.343 25.182 -19.214 1.00 0.00 H new ATOM 353 N GLY A 22 5.136 27.932 -17.639 1.00 0.00 N ATOM 354 CA GLY A 22 4.862 29.369 -17.822 1.00 0.00 C ATOM 355 C GLY A 22 5.954 30.110 -18.605 1.00 0.00 C ATOM 356 O GLY A 22 5.643 30.973 -19.433 1.00 0.00 O ATOM 0 H GLY A 22 4.640 27.327 -18.293 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.912 29.485 -18.343 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.749 29.836 -16.844 1.00 0.00 H new ATOM 360 N ASN A 23 7.236 29.768 -18.316 1.00 0.00 N ATOM 361 CA ASN A 23 8.435 30.340 -18.963 1.00 0.00 C ATOM 362 C ASN A 23 8.349 30.249 -20.505 1.00 0.00 C ATOM 363 O ASN A 23 8.339 29.147 -21.072 1.00 0.00 O ATOM 364 CB ASN A 23 9.699 29.598 -18.424 1.00 0.00 C ATOM 365 CG ASN A 23 11.044 30.029 -19.043 1.00 0.00 C ATOM 366 OD1 ASN A 23 11.950 29.205 -19.198 1.00 0.00 O ATOM 367 ND2 ASN A 23 11.211 31.308 -19.360 1.00 0.00 N ATOM 0 H ASN A 23 7.465 29.070 -17.609 1.00 0.00 H new ATOM 0 HA ASN A 23 8.501 31.400 -18.717 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.752 29.747 -17.346 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.569 28.529 -18.592 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.102 31.627 -19.740 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.448 31.971 -19.223 1.00 0.00 H new ATOM 374 N GLU A 24 8.266 31.432 -21.151 1.00 0.00 N ATOM 375 CA GLU A 24 8.177 31.559 -22.623 1.00 0.00 C ATOM 376 C GLU A 24 9.511 31.174 -23.302 1.00 0.00 C ATOM 377 O GLU A 24 9.521 30.568 -24.380 1.00 0.00 O ATOM 378 CB GLU A 24 7.758 33.011 -23.013 1.00 0.00 C ATOM 379 CG GLU A 24 8.698 34.121 -22.486 1.00 0.00 C ATOM 380 CD GLU A 24 8.369 35.514 -23.045 1.00 0.00 C ATOM 381 OE1 GLU A 24 8.744 35.795 -24.204 1.00 0.00 O ATOM 382 OE2 GLU A 24 7.759 36.339 -22.334 1.00 0.00 O ATOM 0 H GLU A 24 8.259 32.329 -20.665 1.00 0.00 H new ATOM 0 HA GLU A 24 7.415 30.866 -22.978 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.710 33.081 -24.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.752 33.197 -22.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.639 34.151 -21.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.727 33.868 -22.743 1.00 0.00 H new ATOM 389 N ALA A 25 10.639 31.531 -22.647 1.00 0.00 N ATOM 390 CA ALA A 25 12.009 31.227 -23.134 1.00 0.00 C ATOM 391 C ALA A 25 12.499 29.894 -22.542 1.00 0.00 C ATOM 392 O ALA A 25 13.632 29.773 -22.057 1.00 0.00 O ATOM 393 CB ALA A 25 12.951 32.394 -22.785 1.00 0.00 C ATOM 0 H ALA A 25 10.627 32.040 -21.763 1.00 0.00 H new ATOM 0 HA ALA A 25 12.000 31.116 -24.218 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.956 32.170 -23.143 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.592 33.306 -23.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.973 32.533 -21.704 1.00 0.00 H new ATOM 399 N CYS A 26 11.611 28.892 -22.612 1.00 0.00 N ATOM 400 CA CYS A 26 11.853 27.541 -22.085 1.00 0.00 C ATOM 401 C CYS A 26 12.800 26.744 -22.994 1.00 0.00 C ATOM 402 O CYS A 26 13.013 27.107 -24.159 1.00 0.00 O ATOM 403 CB CYS A 26 10.515 26.798 -21.915 1.00 0.00 C ATOM 404 SG CYS A 26 10.685 25.062 -21.393 1.00 0.00 S ATOM 0 H CYS A 26 10.692 28.998 -23.042 1.00 0.00 H new ATOM 0 HA CYS A 26 12.336 27.637 -21.112 1.00 0.00 H new ATOM 0 HB2 CYS A 26 9.909 27.329 -21.181 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.972 26.830 -22.860 1.00 0.00 H new ATOM 0 HG CYS A 26 9.509 24.566 -21.146 1.00 0.00 H new ATOM 409 N THR A 27 13.376 25.653 -22.449 1.00 0.00 N ATOM 410 CA THR A 27 14.288 24.768 -23.190 1.00 0.00 C ATOM 411 C THR A 27 13.984 23.273 -22.876 1.00 0.00 C ATOM 412 O THR A 27 14.707 22.596 -22.129 1.00 0.00 O ATOM 413 CB THR A 27 15.792 25.167 -22.920 1.00 0.00 C ATOM 414 OG1 THR A 27 16.691 24.242 -23.554 1.00 0.00 O ATOM 415 CG2 THR A 27 16.111 25.265 -21.414 1.00 0.00 C ATOM 0 H THR A 27 13.220 25.364 -21.483 1.00 0.00 H new ATOM 0 HA THR A 27 14.121 24.897 -24.259 1.00 0.00 H new ATOM 0 HB THR A 27 15.935 26.157 -23.353 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.616 24.510 -23.374 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.157 25.542 -21.281 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.474 26.022 -20.956 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.928 24.301 -20.940 1.00 0.00 H new ATOM 423 N ASN A 28 12.843 22.789 -23.420 1.00 0.00 N ATOM 424 CA ASN A 28 12.424 21.376 -23.338 1.00 0.00 C ATOM 425 C ASN A 28 11.317 21.126 -24.389 1.00 0.00 C ATOM 426 O ASN A 28 10.290 21.820 -24.382 1.00 0.00 O ATOM 427 CB ASN A 28 11.905 21.028 -21.905 1.00 0.00 C ATOM 428 CG ASN A 28 11.728 19.522 -21.638 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.574 18.708 -22.548 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.741 19.144 -20.376 1.00 0.00 N ATOM 0 H ASN A 28 12.184 23.376 -23.932 1.00 0.00 H new ATOM 0 HA ASN A 28 13.281 20.733 -23.542 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.601 21.435 -21.172 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.949 21.527 -21.748 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.622 18.160 -20.137 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.870 19.836 -19.638 1.00 0.00 H new ATOM 437 N GLU A 29 11.534 20.132 -25.275 1.00 0.00 N ATOM 438 CA GLU A 29 10.561 19.748 -26.322 1.00 0.00 C ATOM 439 C GLU A 29 9.306 19.124 -25.706 1.00 0.00 C ATOM 440 O GLU A 29 8.198 19.313 -26.211 1.00 0.00 O ATOM 441 CB GLU A 29 11.187 18.793 -27.383 1.00 0.00 C ATOM 442 CG GLU A 29 11.890 17.511 -26.841 1.00 0.00 C ATOM 443 CD GLU A 29 13.422 17.648 -26.728 1.00 0.00 C ATOM 444 OE1 GLU A 29 13.905 18.416 -25.869 1.00 0.00 O ATOM 445 OE2 GLU A 29 14.154 17.018 -27.526 1.00 0.00 O ATOM 0 H GLU A 29 12.387 19.573 -25.286 1.00 0.00 H new ATOM 0 HA GLU A 29 10.273 20.664 -26.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.399 18.485 -28.070 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.914 19.360 -27.965 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.482 17.270 -25.859 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.656 16.673 -27.498 1.00 0.00 H new ATOM 452 N PHE A 30 9.501 18.377 -24.614 1.00 0.00 N ATOM 453 CA PHE A 30 8.403 17.843 -23.795 1.00 0.00 C ATOM 454 C PHE A 30 8.073 18.868 -22.703 1.00 0.00 C ATOM 455 O PHE A 30 8.558 18.753 -21.580 1.00 0.00 O ATOM 456 CB PHE A 30 8.789 16.473 -23.169 1.00 0.00 C ATOM 457 CG PHE A 30 9.181 15.405 -24.190 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.218 14.825 -25.022 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.509 14.988 -24.329 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.572 13.866 -25.950 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.857 14.028 -25.260 1.00 0.00 C ATOM 462 CZ PHE A 30 9.889 13.468 -26.073 1.00 0.00 C ATOM 0 H PHE A 30 10.427 18.124 -24.271 1.00 0.00 H new ATOM 0 HA PHE A 30 7.527 17.674 -24.421 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.620 16.623 -22.479 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.948 16.106 -22.580 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.186 15.131 -24.938 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.272 15.422 -23.700 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.816 13.425 -26.583 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.886 13.715 -25.353 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.162 12.721 -26.803 1.00 0.00 H new ATOM 472 N CYS A 31 7.348 19.938 -23.078 1.00 0.00 N ATOM 473 CA CYS A 31 6.893 20.967 -22.119 1.00 0.00 C ATOM 474 C CYS A 31 5.865 21.883 -22.780 1.00 0.00 C ATOM 475 O CYS A 31 6.156 22.493 -23.804 1.00 0.00 O ATOM 476 CB CYS A 31 8.080 21.819 -21.610 1.00 0.00 C ATOM 477 SG CYS A 31 7.667 22.978 -20.275 1.00 0.00 S ATOM 0 H CYS A 31 7.063 20.115 -24.041 1.00 0.00 H new ATOM 0 HA CYS A 31 6.440 20.455 -21.270 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.866 21.150 -21.261 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.490 22.383 -22.448 1.00 0.00 H new ATOM 0 HG CYS A 31 7.492 24.167 -20.771 1.00 0.00 H new ATOM 482 N ALA A 32 4.682 22.016 -22.163 1.00 0.00 N ATOM 483 CA ALA A 32 3.608 22.893 -22.655 1.00 0.00 C ATOM 484 C ALA A 32 3.998 24.364 -22.461 1.00 0.00 C ATOM 485 O ALA A 32 4.935 24.666 -21.703 1.00 0.00 O ATOM 486 CB ALA A 32 2.290 22.565 -21.944 1.00 0.00 C ATOM 0 H ALA A 32 4.442 21.517 -21.306 1.00 0.00 H new ATOM 0 HA ALA A 32 3.464 22.721 -23.722 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.503 23.220 -22.316 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.020 21.527 -22.139 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.409 22.714 -20.871 1.00 0.00 H new ATOM 492 N SER A 33 3.319 25.261 -23.199 1.00 0.00 N ATOM 493 CA SER A 33 3.638 26.703 -23.230 1.00 0.00 C ATOM 494 C SER A 33 5.049 26.960 -23.842 1.00 0.00 C ATOM 495 O SER A 33 5.590 28.064 -23.708 1.00 0.00 O ATOM 496 CB SER A 33 3.494 27.347 -21.814 1.00 0.00 C ATOM 497 OG SER A 33 2.179 27.174 -21.290 1.00 0.00 O ATOM 0 H SER A 33 2.530 25.007 -23.794 1.00 0.00 H new ATOM 0 HA SER A 33 2.911 27.189 -23.881 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.219 26.899 -21.134 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.726 28.410 -21.872 1.00 0.00 H new ATOM 0 HG SER A 33 2.202 26.527 -20.555 1.00 0.00 H new ATOM 503 N CYS A 34 5.643 25.932 -24.511 1.00 0.00 N ATOM 504 CA CYS A 34 6.927 26.050 -25.213 1.00 0.00 C ATOM 505 C CYS A 34 6.703 25.830 -26.723 1.00 0.00 C ATOM 506 O CYS A 34 5.896 24.966 -27.096 1.00 0.00 O ATOM 507 CB CYS A 34 7.891 24.999 -24.633 1.00 0.00 C ATOM 508 SG CYS A 34 7.937 25.002 -22.826 1.00 0.00 S ATOM 0 H CYS A 34 5.233 25.000 -24.571 1.00 0.00 H new ATOM 0 HA CYS A 34 7.358 27.042 -25.077 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.594 24.010 -24.982 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.894 25.184 -25.017 1.00 0.00 H new ATOM 0 HG CYS A 34 9.173 25.027 -22.423 1.00 0.00 H new ATOM 514 N PRO A 35 7.406 26.604 -27.623 1.00 0.00 N ATOM 515 CA PRO A 35 7.225 26.499 -29.103 1.00 0.00 C ATOM 516 C PRO A 35 7.734 25.154 -29.673 1.00 0.00 C ATOM 517 O PRO A 35 7.352 24.748 -30.773 1.00 0.00 O ATOM 518 CB PRO A 35 8.044 27.701 -29.642 1.00 0.00 C ATOM 519 CG PRO A 35 9.098 27.924 -28.600 1.00 0.00 C ATOM 520 CD PRO A 35 8.429 27.632 -27.275 1.00 0.00 C ATOM 0 HA PRO A 35 6.176 26.525 -29.397 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.485 27.479 -30.614 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.418 28.584 -29.771 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.953 27.267 -28.761 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.472 28.947 -28.633 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.141 27.257 -26.539 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.972 28.526 -26.850 1.00 0.00 H new ATOM 528 N THR A 36 8.590 24.477 -28.891 1.00 0.00 N ATOM 529 CA THR A 36 9.129 23.147 -29.220 1.00 0.00 C ATOM 530 C THR A 36 8.087 22.025 -28.990 1.00 0.00 C ATOM 531 O THR A 36 8.333 20.865 -29.344 1.00 0.00 O ATOM 532 CB THR A 36 10.397 22.861 -28.355 1.00 0.00 C ATOM 533 OG1 THR A 36 10.076 23.063 -26.970 1.00 0.00 O ATOM 534 CG2 THR A 36 11.588 23.757 -28.738 1.00 0.00 C ATOM 0 H THR A 36 8.931 24.842 -28.002 1.00 0.00 H new ATOM 0 HA THR A 36 9.388 23.152 -30.279 1.00 0.00 H new ATOM 0 HB THR A 36 10.695 21.829 -28.539 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.872 22.899 -26.422 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.443 23.516 -28.106 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.850 23.587 -29.782 1.00 0.00 H new ATOM 0 HG23 THR A 36 11.316 24.803 -28.598 1.00 0.00 H new ATOM 542 N PHE A 37 6.931 22.377 -28.392 1.00 0.00 N ATOM 543 CA PHE A 37 5.863 21.422 -28.067 1.00 0.00 C ATOM 544 C PHE A 37 4.538 21.851 -28.712 1.00 0.00 C ATOM 545 O PHE A 37 4.114 23.003 -28.565 1.00 0.00 O ATOM 546 CB PHE A 37 5.698 21.312 -26.536 1.00 0.00 C ATOM 547 CG PHE A 37 4.626 20.319 -26.070 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.832 18.947 -26.186 1.00 0.00 C ATOM 549 CD2 PHE A 37 3.420 20.760 -25.517 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.870 18.054 -25.766 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.461 19.866 -25.098 1.00 0.00 C ATOM 552 CZ PHE A 37 2.684 18.515 -25.223 1.00 0.00 C ATOM 0 H PHE A 37 6.715 23.337 -28.122 1.00 0.00 H new ATOM 0 HA PHE A 37 6.140 20.446 -28.465 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.655 21.021 -26.102 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.455 22.298 -26.140 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.755 18.579 -26.609 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.238 21.820 -25.417 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.042 16.992 -25.861 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.536 20.225 -24.672 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.932 17.812 -24.897 1.00 0.00 H new ATOM 562 N LEU A 38 3.899 20.903 -29.421 1.00 0.00 N ATOM 563 CA LEU A 38 2.530 21.055 -29.932 1.00 0.00 C ATOM 564 C LEU A 38 1.564 20.507 -28.871 1.00 0.00 C ATOM 565 O LEU A 38 1.794 19.410 -28.341 1.00 0.00 O ATOM 566 CB LEU A 38 2.347 20.316 -31.293 1.00 0.00 C ATOM 567 CG LEU A 38 3.179 20.874 -32.512 1.00 0.00 C ATOM 568 CD1 LEU A 38 4.695 20.548 -32.403 1.00 0.00 C ATOM 569 CD2 LEU A 38 2.598 20.387 -33.861 1.00 0.00 C ATOM 0 H LEU A 38 4.323 20.005 -29.655 1.00 0.00 H new ATOM 0 HA LEU A 38 2.321 22.108 -30.119 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.611 19.268 -31.151 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.290 20.346 -31.558 1.00 0.00 H new ATOM 0 HG LEU A 38 3.089 21.960 -32.476 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.218 20.956 -33.268 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.098 20.992 -31.493 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.833 19.467 -32.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.194 20.789 -34.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.622 19.298 -33.895 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.568 20.731 -33.959 1.00 0.00 H new ATOM 581 N ARG A 39 0.507 21.281 -28.575 1.00 0.00 N ATOM 582 CA ARG A 39 -0.447 20.999 -27.478 1.00 0.00 C ATOM 583 C ARG A 39 -1.116 19.610 -27.593 1.00 0.00 C ATOM 584 O ARG A 39 -1.379 19.123 -28.697 1.00 0.00 O ATOM 585 CB ARG A 39 -1.546 22.102 -27.423 1.00 0.00 C ATOM 586 CG ARG A 39 -1.068 23.469 -26.887 1.00 0.00 C ATOM 587 CD ARG A 39 -0.679 23.412 -25.398 1.00 0.00 C ATOM 588 NE ARG A 39 -0.295 24.728 -24.860 1.00 0.00 N ATOM 589 CZ ARG A 39 -0.221 25.030 -23.554 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.547 24.134 -22.624 1.00 0.00 N ATOM 591 NH2 ARG A 39 0.152 26.240 -23.185 1.00 0.00 N ATOM 0 H ARG A 39 0.284 22.131 -29.094 1.00 0.00 H new ATOM 0 HA ARG A 39 0.136 20.999 -26.557 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.950 22.242 -28.426 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.364 21.748 -26.796 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.211 23.806 -27.471 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.858 24.207 -27.025 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.517 23.019 -24.823 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.150 22.716 -25.270 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.069 25.464 -25.529 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.858 23.203 -22.900 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.485 24.379 -21.636 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.382 26.940 -23.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.210 26.476 -22.194 1.00 0.00 H new ATOM 605 N MET A 40 -1.382 19.004 -26.421 1.00 0.00 N ATOM 606 CA MET A 40 -2.170 17.758 -26.285 1.00 0.00 C ATOM 607 C MET A 40 -3.211 17.945 -25.168 1.00 0.00 C ATOM 608 O MET A 40 -3.017 18.773 -24.264 1.00 0.00 O ATOM 609 CB MET A 40 -1.261 16.525 -25.979 1.00 0.00 C ATOM 610 CG MET A 40 -0.447 16.612 -24.675 1.00 0.00 C ATOM 611 SD MET A 40 0.481 15.100 -24.312 1.00 0.00 S ATOM 612 CE MET A 40 1.514 14.902 -25.766 1.00 0.00 C ATOM 0 H MET A 40 -1.052 19.369 -25.527 1.00 0.00 H new ATOM 0 HA MET A 40 -2.670 17.559 -27.233 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.888 15.634 -25.937 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.570 16.389 -26.811 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.247 17.449 -24.743 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.122 16.824 -23.846 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.178 14.049 -25.627 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.884 14.734 -26.640 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.108 15.803 -25.916 1.00 0.00 H new ATOM 622 N ASP A 41 -4.314 17.181 -25.245 1.00 0.00 N ATOM 623 CA ASP A 41 -5.377 17.201 -24.219 1.00 0.00 C ATOM 624 C ASP A 41 -4.893 16.511 -22.927 1.00 0.00 C ATOM 625 O ASP A 41 -3.882 15.810 -22.941 1.00 0.00 O ATOM 626 CB ASP A 41 -6.669 16.530 -24.752 1.00 0.00 C ATOM 627 CG ASP A 41 -6.490 15.047 -25.127 1.00 0.00 C ATOM 628 OD1 ASP A 41 -6.079 14.752 -26.268 1.00 0.00 O ATOM 629 OD2 ASP A 41 -6.750 14.173 -24.281 1.00 0.00 O ATOM 0 H ASP A 41 -4.496 16.536 -26.014 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.609 18.240 -23.986 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.449 16.612 -23.995 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.017 17.077 -25.628 1.00 0.00 H new ATOM 634 N ASN A 42 -5.652 16.685 -21.832 1.00 0.00 N ATOM 635 CA ASN A 42 -5.239 16.251 -20.476 1.00 0.00 C ATOM 636 C ASN A 42 -5.192 14.712 -20.336 1.00 0.00 C ATOM 637 O ASN A 42 -4.443 14.187 -19.505 1.00 0.00 O ATOM 638 CB ASN A 42 -6.186 16.862 -19.416 1.00 0.00 C ATOM 639 CG ASN A 42 -6.178 18.394 -19.434 1.00 0.00 C ATOM 640 OD1 ASN A 42 -5.360 19.030 -18.768 1.00 0.00 O ATOM 641 ND2 ASN A 42 -7.078 18.998 -20.191 1.00 0.00 N ATOM 0 H ASN A 42 -6.570 17.130 -21.856 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.224 16.614 -20.312 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.201 16.505 -19.592 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.892 16.512 -18.426 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.107 20.017 -20.234 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.743 18.445 -20.732 1.00 0.00 H new ATOM 648 N ASN A 43 -5.992 13.998 -21.154 1.00 0.00 N ATOM 649 CA ASN A 43 -6.013 12.516 -21.178 1.00 0.00 C ATOM 650 C ASN A 43 -4.725 11.991 -21.833 1.00 0.00 C ATOM 651 O ASN A 43 -4.060 11.085 -21.312 1.00 0.00 O ATOM 652 CB ASN A 43 -7.264 12.021 -21.947 1.00 0.00 C ATOM 653 CG ASN A 43 -7.428 10.498 -22.001 1.00 0.00 C ATOM 654 OD1 ASN A 43 -7.038 9.777 -21.088 1.00 0.00 O ATOM 655 ND2 ASN A 43 -8.010 10.000 -23.081 1.00 0.00 N ATOM 0 H ASN A 43 -6.640 14.427 -21.815 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.063 12.135 -20.158 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.152 12.451 -21.483 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.221 12.403 -22.967 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.144 8.993 -23.170 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.324 10.624 -23.824 1.00 0.00 H new ATOM 662 N ALA A 44 -4.385 12.615 -22.971 1.00 0.00 N ATOM 663 CA ALA A 44 -3.158 12.339 -23.734 1.00 0.00 C ATOM 664 C ALA A 44 -1.906 12.740 -22.929 1.00 0.00 C ATOM 665 O ALA A 44 -0.861 12.095 -23.036 1.00 0.00 O ATOM 666 CB ALA A 44 -3.214 13.082 -25.077 1.00 0.00 C ATOM 0 H ALA A 44 -4.966 13.339 -23.395 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.091 11.268 -23.925 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.305 12.878 -25.644 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.080 12.742 -25.645 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.297 14.154 -24.897 1.00 0.00 H new ATOM 672 N ALA A 45 -2.058 13.799 -22.112 1.00 0.00 N ATOM 673 CA ALA A 45 -0.995 14.348 -21.256 1.00 0.00 C ATOM 674 C ALA A 45 -0.739 13.454 -20.038 1.00 0.00 C ATOM 675 O ALA A 45 0.380 13.411 -19.526 1.00 0.00 O ATOM 676 CB ALA A 45 -1.370 15.768 -20.816 1.00 0.00 C ATOM 0 H ALA A 45 -2.940 14.305 -22.028 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.071 14.383 -21.833 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.581 16.173 -20.182 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.490 16.401 -21.695 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.306 15.741 -20.258 1.00 0.00 H new ATOM 682 N ALA A 46 -1.800 12.763 -19.571 1.00 0.00 N ATOM 683 CA ALA A 46 -1.716 11.809 -18.451 1.00 0.00 C ATOM 684 C ALA A 46 -0.955 10.547 -18.871 1.00 0.00 C ATOM 685 O ALA A 46 -0.094 10.047 -18.131 1.00 0.00 O ATOM 686 CB ALA A 46 -3.119 11.470 -17.936 1.00 0.00 C ATOM 0 H ALA A 46 -2.738 12.853 -19.962 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.160 12.273 -17.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.042 10.764 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.610 12.380 -17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.704 11.024 -18.740 1.00 0.00 H new ATOM 692 N ILE A 47 -1.274 10.052 -20.086 1.00 0.00 N ATOM 693 CA ILE A 47 -0.559 8.923 -20.701 1.00 0.00 C ATOM 694 C ILE A 47 0.920 9.297 -20.879 1.00 0.00 C ATOM 695 O ILE A 47 1.802 8.598 -20.380 1.00 0.00 O ATOM 696 CB ILE A 47 -1.183 8.510 -22.091 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.678 8.077 -21.928 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.347 7.390 -22.779 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.899 6.866 -21.028 1.00 0.00 C ATOM 0 H ILE A 47 -2.030 10.424 -20.661 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.653 8.063 -20.037 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.155 9.386 -22.739 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.243 8.918 -21.527 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.088 7.859 -22.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.804 7.129 -23.734 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.669 7.746 -22.949 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.320 6.510 -22.137 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.964 6.641 -20.976 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.366 6.007 -21.436 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.524 7.083 -20.028 1.00 0.00 H new ATOM 711 N LYS A 48 1.152 10.460 -21.535 1.00 0.00 N ATOM 712 CA LYS A 48 2.501 10.957 -21.869 1.00 0.00 C ATOM 713 C LYS A 48 3.320 11.248 -20.594 1.00 0.00 C ATOM 714 O LYS A 48 4.546 11.176 -20.618 1.00 0.00 O ATOM 715 CB LYS A 48 2.411 12.225 -22.769 1.00 0.00 C ATOM 716 CG LYS A 48 3.734 12.628 -23.464 1.00 0.00 C ATOM 717 CD LYS A 48 4.236 11.543 -24.445 1.00 0.00 C ATOM 718 CE LYS A 48 5.538 11.941 -25.160 1.00 0.00 C ATOM 719 NZ LYS A 48 5.981 10.916 -26.143 1.00 0.00 N ATOM 0 H LYS A 48 0.403 11.079 -21.847 1.00 0.00 H new ATOM 0 HA LYS A 48 3.018 10.176 -22.426 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.653 12.056 -23.534 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.069 13.061 -22.160 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.588 13.563 -24.004 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.497 12.812 -22.708 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.396 10.613 -23.900 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.464 11.347 -25.189 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.392 12.892 -25.672 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.324 12.094 -24.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.862 11.230 -26.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.147 10.014 -25.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.244 10.787 -26.866 1.00 0.00 H new ATOM 733 N ALA A 49 2.615 11.561 -19.483 1.00 0.00 N ATOM 734 CA ALA A 49 3.228 11.733 -18.152 1.00 0.00 C ATOM 735 C ALA A 49 3.930 10.445 -17.715 1.00 0.00 C ATOM 736 O ALA A 49 5.118 10.463 -17.386 1.00 0.00 O ATOM 737 CB ALA A 49 2.176 12.149 -17.110 1.00 0.00 C ATOM 0 H ALA A 49 1.605 11.701 -19.487 1.00 0.00 H new ATOM 0 HA ALA A 49 3.970 12.529 -18.222 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.654 12.269 -16.138 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.721 13.093 -17.409 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.406 11.380 -17.043 1.00 0.00 H new ATOM 743 N LEU A 50 3.180 9.324 -17.765 1.00 0.00 N ATOM 744 CA LEU A 50 3.699 7.993 -17.381 1.00 0.00 C ATOM 745 C LEU A 50 4.701 7.442 -18.416 1.00 0.00 C ATOM 746 O LEU A 50 5.590 6.664 -18.057 1.00 0.00 O ATOM 747 CB LEU A 50 2.539 6.978 -17.142 1.00 0.00 C ATOM 748 CG LEU A 50 1.792 7.087 -15.766 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.774 6.938 -14.580 1.00 0.00 C ATOM 750 CD2 LEU A 50 0.971 8.389 -15.650 1.00 0.00 C ATOM 0 H LEU A 50 2.207 9.314 -18.070 1.00 0.00 H new ATOM 0 HA LEU A 50 4.236 8.124 -16.442 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.806 7.102 -17.940 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.943 5.970 -17.233 1.00 0.00 H new ATOM 0 HG LEU A 50 1.085 6.259 -15.723 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.226 7.018 -13.641 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.263 5.965 -14.633 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.526 7.725 -14.629 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.472 8.420 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.636 9.248 -15.743 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.224 8.420 -16.444 1.00 0.00 H new ATOM 762 N GLU A 51 4.556 7.840 -19.697 1.00 0.00 N ATOM 763 CA GLU A 51 5.500 7.443 -20.759 1.00 0.00 C ATOM 764 C GLU A 51 6.883 8.040 -20.479 1.00 0.00 C ATOM 765 O GLU A 51 7.880 7.315 -20.413 1.00 0.00 O ATOM 766 CB GLU A 51 4.994 7.890 -22.156 1.00 0.00 C ATOM 767 CG GLU A 51 3.656 7.262 -22.595 1.00 0.00 C ATOM 768 CD GLU A 51 3.679 5.726 -22.644 1.00 0.00 C ATOM 769 OE1 GLU A 51 4.191 5.161 -23.633 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.205 5.067 -21.686 1.00 0.00 O ATOM 0 H GLU A 51 3.794 8.436 -20.020 1.00 0.00 H new ATOM 0 HA GLU A 51 5.573 6.355 -20.762 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.887 8.975 -22.157 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.754 7.644 -22.897 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.872 7.583 -21.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.392 7.644 -23.581 1.00 0.00 H new ATOM 777 N LEU A 52 6.899 9.365 -20.259 1.00 0.00 N ATOM 778 CA LEU A 52 8.128 10.129 -19.980 1.00 0.00 C ATOM 779 C LEU A 52 8.698 9.804 -18.596 1.00 0.00 C ATOM 780 O LEU A 52 9.902 9.954 -18.370 1.00 0.00 O ATOM 781 CB LEU A 52 7.871 11.647 -20.112 1.00 0.00 C ATOM 782 CG LEU A 52 7.406 12.148 -21.516 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.177 13.670 -21.505 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.396 11.740 -22.636 1.00 0.00 C ATOM 0 H LEU A 52 6.056 9.940 -20.270 1.00 0.00 H new ATOM 0 HA LEU A 52 8.869 9.832 -20.722 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.116 11.932 -19.379 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.787 12.174 -19.846 1.00 0.00 H new ATOM 0 HG LEU A 52 6.457 11.660 -21.737 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.854 13.996 -22.493 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.409 13.917 -20.772 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.106 14.176 -21.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.033 12.109 -23.595 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.376 12.170 -22.429 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.476 10.654 -22.672 1.00 0.00 H new ATOM 796 N TYR A 53 7.821 9.373 -17.673 1.00 0.00 N ATOM 797 CA TYR A 53 8.229 8.979 -16.319 1.00 0.00 C ATOM 798 C TYR A 53 9.048 7.675 -16.349 1.00 0.00 C ATOM 799 O TYR A 53 10.146 7.625 -15.780 1.00 0.00 O ATOM 800 CB TYR A 53 6.999 8.847 -15.368 1.00 0.00 C ATOM 801 CG TYR A 53 7.359 8.362 -13.955 1.00 0.00 C ATOM 802 CD1 TYR A 53 8.248 9.085 -13.148 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.862 7.162 -13.445 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.612 8.628 -11.898 1.00 0.00 C ATOM 805 CE2 TYR A 53 7.232 6.705 -12.202 1.00 0.00 C ATOM 806 CZ TYR A 53 8.104 7.440 -11.430 1.00 0.00 C ATOM 807 OH TYR A 53 8.483 6.978 -10.191 1.00 0.00 O ATOM 0 H TYR A 53 6.819 9.289 -17.845 1.00 0.00 H new ATOM 0 HA TYR A 53 8.866 9.769 -15.923 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.502 9.814 -15.295 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.283 8.154 -15.809 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.656 10.017 -13.511 1.00 0.00 H new ATOM 0 HD2 TYR A 53 6.173 6.580 -14.039 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.294 9.202 -11.289 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.839 5.770 -11.831 1.00 0.00 H new ATOM 0 HH TYR A 53 8.034 6.126 -10.008 1.00 0.00 H new ATOM 817 N LYS A 54 8.531 6.637 -17.039 1.00 0.00 N ATOM 818 CA LYS A 54 9.141 5.290 -17.001 1.00 0.00 C ATOM 819 C LYS A 54 10.432 5.233 -17.833 1.00 0.00 C ATOM 820 O LYS A 54 11.359 4.501 -17.489 1.00 0.00 O ATOM 821 CB LYS A 54 8.140 4.189 -17.444 1.00 0.00 C ATOM 822 CG LYS A 54 7.755 4.173 -18.940 1.00 0.00 C ATOM 823 CD LYS A 54 6.702 3.076 -19.251 1.00 0.00 C ATOM 824 CE LYS A 54 6.472 2.854 -20.753 1.00 0.00 C ATOM 825 NZ LYS A 54 5.965 4.063 -21.418 1.00 0.00 N ATOM 0 H LYS A 54 7.699 6.704 -17.625 1.00 0.00 H new ATOM 0 HA LYS A 54 9.406 5.090 -15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.566 3.218 -17.190 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.228 4.300 -16.858 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.359 5.148 -19.224 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.647 4.003 -19.543 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.022 2.138 -18.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.756 3.349 -18.783 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.407 2.548 -21.221 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.763 2.038 -20.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.824 3.869 -22.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.059 4.341 -20.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.653 4.835 -21.306 1.00 0.00 H new ATOM 839 N ILE A 55 10.492 6.018 -18.927 1.00 0.00 N ATOM 840 CA ILE A 55 11.712 6.120 -19.762 1.00 0.00 C ATOM 841 C ILE A 55 12.721 7.098 -19.132 1.00 0.00 C ATOM 842 O ILE A 55 13.888 7.129 -19.543 1.00 0.00 O ATOM 843 CB ILE A 55 11.382 6.564 -21.237 1.00 0.00 C ATOM 844 CG1 ILE A 55 10.899 8.057 -21.297 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.330 5.616 -21.867 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.469 8.544 -22.673 1.00 0.00 C ATOM 0 H ILE A 55 9.714 6.590 -19.255 1.00 0.00 H new ATOM 0 HA ILE A 55 12.155 5.125 -19.805 1.00 0.00 H new ATOM 0 HB ILE A 55 12.301 6.496 -21.819 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.063 8.180 -20.608 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.705 8.697 -20.938 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.114 5.938 -22.886 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.720 4.598 -21.883 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.415 5.644 -21.276 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.154 9.585 -22.608 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.306 8.461 -23.366 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.639 7.935 -23.032 1.00 0.00 H new ATOM 858 N ASN A 56 12.230 7.897 -18.147 1.00 0.00 N ATOM 859 CA ASN A 56 13.001 8.936 -17.448 1.00 0.00 C ATOM 860 C ASN A 56 13.576 9.945 -18.464 1.00 0.00 C ATOM 861 O ASN A 56 14.798 10.043 -18.677 1.00 0.00 O ATOM 862 CB ASN A 56 14.079 8.311 -16.515 1.00 0.00 C ATOM 863 CG ASN A 56 14.754 9.331 -15.583 1.00 0.00 C ATOM 864 OD1 ASN A 56 15.788 9.913 -15.912 1.00 0.00 O ATOM 865 ND2 ASN A 56 14.172 9.554 -14.416 1.00 0.00 N ATOM 0 H ASN A 56 11.267 7.828 -17.817 1.00 0.00 H new ATOM 0 HA ASN A 56 12.335 9.495 -16.790 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.616 7.531 -15.911 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.842 7.830 -17.127 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.580 10.223 -13.762 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.316 9.057 -14.170 1.00 0.00 H new ATOM 872 N ALA A 57 12.646 10.631 -19.151 1.00 0.00 N ATOM 873 CA ALA A 57 12.964 11.698 -20.106 1.00 0.00 C ATOM 874 C ALA A 57 13.307 12.996 -19.362 1.00 0.00 C ATOM 875 O ALA A 57 13.105 13.093 -18.147 1.00 0.00 O ATOM 876 CB ALA A 57 11.787 11.919 -21.072 1.00 0.00 C ATOM 0 H ALA A 57 11.646 10.456 -19.056 1.00 0.00 H new ATOM 0 HA ALA A 57 13.834 11.397 -20.689 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.037 12.714 -21.775 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.589 10.998 -21.621 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.900 12.202 -20.506 1.00 0.00 H new ATOM 882 N LYS A 58 13.834 13.979 -20.106 1.00 0.00 N ATOM 883 CA LYS A 58 14.189 15.295 -19.555 1.00 0.00 C ATOM 884 C LYS A 58 12.937 16.010 -18.982 1.00 0.00 C ATOM 885 O LYS A 58 11.922 16.194 -19.669 1.00 0.00 O ATOM 886 CB LYS A 58 14.898 16.145 -20.644 1.00 0.00 C ATOM 887 CG LYS A 58 14.087 16.321 -21.945 1.00 0.00 C ATOM 888 CD LYS A 58 14.894 16.989 -23.074 1.00 0.00 C ATOM 889 CE LYS A 58 15.328 18.431 -22.744 1.00 0.00 C ATOM 890 NZ LYS A 58 16.076 19.047 -23.873 1.00 0.00 N ATOM 0 H LYS A 58 14.026 13.885 -21.103 1.00 0.00 H new ATOM 0 HA LYS A 58 14.884 15.162 -18.726 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.119 17.130 -20.232 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.853 15.679 -20.886 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.739 15.345 -22.284 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.201 16.921 -21.736 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.780 16.389 -23.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.294 16.997 -23.984 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.449 19.034 -22.517 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.952 18.429 -21.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.250 20.052 -23.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.985 18.557 -23.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.517 18.964 -24.746 1.00 0.00 H new ATOM 904 N LEU A 59 13.020 16.358 -17.699 1.00 0.00 N ATOM 905 CA LEU A 59 11.937 17.012 -16.955 1.00 0.00 C ATOM 906 C LEU A 59 12.252 18.513 -16.827 1.00 0.00 C ATOM 907 O LEU A 59 13.419 18.908 -16.775 1.00 0.00 O ATOM 908 CB LEU A 59 11.797 16.328 -15.571 1.00 0.00 C ATOM 909 CG LEU A 59 10.680 16.863 -14.620 1.00 0.00 C ATOM 910 CD1 LEU A 59 9.275 16.762 -15.254 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.726 16.129 -13.261 1.00 0.00 C ATOM 0 H LEU A 59 13.854 16.192 -17.135 1.00 0.00 H new ATOM 0 HA LEU A 59 10.986 16.913 -17.478 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.620 15.265 -15.736 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.752 16.415 -15.053 1.00 0.00 H new ATOM 0 HG LEU A 59 10.877 17.922 -14.452 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.532 17.146 -14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.247 17.349 -16.172 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.053 15.720 -15.483 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.940 16.516 -12.612 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.574 15.061 -13.419 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.697 16.292 -12.792 1.00 0.00 H new ATOM 923 N CYS A 60 11.204 19.345 -16.783 1.00 0.00 N ATOM 924 CA CYS A 60 11.340 20.811 -16.736 1.00 0.00 C ATOM 925 C CYS A 60 11.008 21.330 -15.320 1.00 0.00 C ATOM 926 O CYS A 60 10.356 22.372 -15.145 1.00 0.00 O ATOM 927 CB CYS A 60 10.434 21.444 -17.811 1.00 0.00 C ATOM 928 SG CYS A 60 10.830 23.181 -18.126 1.00 0.00 S ATOM 0 H CYS A 60 10.236 19.023 -16.779 1.00 0.00 H new ATOM 0 HA CYS A 60 12.369 21.097 -16.952 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.530 20.880 -18.739 1.00 0.00 H new ATOM 0 HB3 CYS A 60 9.394 21.364 -17.496 1.00 0.00 H new ATOM 0 HG CYS A 60 10.634 23.450 -19.383 1.00 0.00 H new