USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 180:sc=-0.00716 USER MOD Set 1.2: A 68 GLN :FLIP amide:sc= 0 F(o=-1.3,f=-0.0072) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -125:sc= 1.1 (180deg=-0.906) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.379 USER MOD Single : A 17 ASN : amide:sc= 0.39 K(o=0.39,f=-0.45) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 75:sc= 1.19 USER MOD Single : A 24 SER OG : rot 109:sc= 0.0101 USER MOD Single : A 28 ASN :FLIP amide:sc= -14.6! C(o=-15!,f=-15!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 46 GLN : amide:sc=-0.00189 X(o=-0.0019,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.03 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= -2.7! (180deg=-6.41!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 153:sc= -0.184 (180deg=-1.37!) USER MOD Single : A 75 SER OG : rot 140:sc= -0.187 USER MOD Single : A 77 GLN :FLIP amide:sc= -4.87! C(o=-7.2!,f=-4.9!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 7:sc= 0.287 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.039 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.247 -5.332 -2.349 1.00 0.00 N ATOM 91 CA VAL A 7 -14.365 -4.066 -1.639 1.00 0.00 C ATOM 92 C VAL A 7 -13.481 -2.974 -2.249 1.00 0.00 C ATOM 93 O VAL A 7 -13.998 -1.987 -2.771 1.00 0.00 O ATOM 94 CB VAL A 7 -14.075 -4.193 -0.113 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.164 -3.503 0.683 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.955 -5.649 0.319 1.00 0.00 C ATOM 0 HA VAL A 7 -15.408 -3.772 -1.754 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.119 -3.708 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.952 -3.598 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.199 -2.448 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.125 -3.967 0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.753 -5.696 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.887 -6.171 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.139 -6.124 -0.225 1.00 0.00 H new ATOM 106 N PRO A 8 -12.140 -3.090 -2.158 1.00 0.00 N ATOM 107 CA PRO A 8 -11.222 -2.082 -2.658 1.00 0.00 C ATOM 108 C PRO A 8 -10.436 -2.516 -3.912 1.00 0.00 C ATOM 109 O PRO A 8 -11.020 -2.797 -4.958 1.00 0.00 O ATOM 110 CB PRO A 8 -10.312 -1.984 -1.445 1.00 0.00 C ATOM 111 CG PRO A 8 -10.117 -3.420 -1.057 1.00 0.00 C ATOM 112 CD PRO A 8 -11.366 -4.160 -1.511 1.00 0.00 C ATOM 0 HA PRO A 8 -11.703 -1.162 -2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.366 -1.499 -1.687 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.770 -1.407 -0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.227 -3.833 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.978 -3.516 0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.132 -4.969 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.904 -4.603 -0.673 1.00 0.00 H new ATOM 120 N LEU A 9 -9.103 -2.545 -3.790 1.00 0.00 N ATOM 121 CA LEU A 9 -8.202 -2.911 -4.878 1.00 0.00 C ATOM 122 C LEU A 9 -8.463 -4.324 -5.396 1.00 0.00 C ATOM 123 O LEU A 9 -8.435 -5.293 -4.636 1.00 0.00 O ATOM 124 CB LEU A 9 -6.752 -2.810 -4.367 1.00 0.00 C ATOM 125 CG LEU A 9 -5.613 -2.972 -5.400 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.107 -3.546 -6.710 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.914 -1.647 -5.654 1.00 0.00 C ATOM 0 H LEU A 9 -8.620 -2.312 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.374 -2.226 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.633 -1.839 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.615 -3.567 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.902 -3.677 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.272 -3.641 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.547 -4.528 -6.534 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.859 -2.883 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.118 -1.790 -6.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.633 -0.924 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.489 -1.275 -4.722 1.00 0.00 H new ATOM 139 N THR A 10 -8.660 -4.435 -6.709 1.00 0.00 N ATOM 140 CA THR A 10 -8.861 -5.725 -7.347 1.00 0.00 C ATOM 141 C THR A 10 -7.543 -6.196 -7.957 1.00 0.00 C ATOM 142 O THR A 10 -6.960 -5.514 -8.800 1.00 0.00 O ATOM 143 CB THR A 10 -9.929 -5.641 -8.433 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.207 -5.406 -7.868 1.00 0.00 O ATOM 145 CG2 THR A 10 -10.016 -6.901 -9.269 1.00 0.00 C ATOM 0 H THR A 10 -8.684 -3.641 -7.349 1.00 0.00 H new ATOM 0 HA THR A 10 -9.199 -6.436 -6.593 1.00 0.00 H new ATOM 0 HB THR A 10 -9.631 -4.812 -9.075 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.876 -5.354 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.792 -6.783 -10.025 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.058 -7.080 -9.757 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.260 -7.747 -8.627 1.00 0.00 H new ATOM 153 N PHE A 11 -7.075 -7.354 -7.521 1.00 0.00 N ATOM 154 CA PHE A 11 -5.821 -7.911 -8.015 1.00 0.00 C ATOM 155 C PHE A 11 -6.054 -8.760 -9.266 1.00 0.00 C ATOM 156 O PHE A 11 -7.185 -8.891 -9.735 1.00 0.00 O ATOM 157 CB PHE A 11 -5.164 -8.743 -6.914 1.00 0.00 C ATOM 158 CG PHE A 11 -5.832 -10.050 -6.695 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.978 -10.146 -5.929 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.315 -11.180 -7.276 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.598 -11.364 -5.750 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.918 -12.398 -7.103 1.00 0.00 C ATOM 163 CZ PHE A 11 -7.066 -12.494 -6.341 1.00 0.00 C ATOM 0 H PHE A 11 -7.545 -7.931 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.156 -7.092 -8.290 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.119 -8.915 -7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.174 -8.176 -5.983 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.391 -9.261 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.421 -11.109 -7.878 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.494 -11.435 -5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.497 -13.281 -7.561 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.547 -13.451 -6.207 1.00 0.00 H new ATOM 173 N THR A 12 -4.979 -9.327 -9.807 1.00 0.00 N ATOM 174 CA THR A 12 -5.073 -10.157 -11.012 1.00 0.00 C ATOM 175 C THR A 12 -5.425 -11.605 -10.665 1.00 0.00 C ATOM 176 O THR A 12 -5.935 -11.884 -9.590 1.00 0.00 O ATOM 177 CB THR A 12 -3.755 -10.110 -11.792 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.949 -10.543 -13.131 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.663 -10.966 -11.181 1.00 0.00 C ATOM 0 H THR A 12 -4.035 -9.230 -9.434 1.00 0.00 H new ATOM 0 HA THR A 12 -5.873 -9.754 -11.634 1.00 0.00 H new ATOM 0 HB THR A 12 -3.435 -9.069 -11.757 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.097 -10.505 -13.614 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.758 -10.886 -11.783 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.456 -10.623 -10.168 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.989 -12.006 -11.152 1.00 0.00 H new ATOM 187 N ASP A 13 -5.149 -12.524 -11.583 1.00 0.00 N ATOM 188 CA ASP A 13 -5.427 -13.936 -11.355 1.00 0.00 C ATOM 189 C ASP A 13 -4.216 -14.630 -10.748 1.00 0.00 C ATOM 190 O ASP A 13 -4.340 -15.443 -9.836 1.00 0.00 O ATOM 191 CB ASP A 13 -5.808 -14.615 -12.670 1.00 0.00 C ATOM 192 CG ASP A 13 -7.051 -14.011 -13.295 1.00 0.00 C ATOM 193 OD1 ASP A 13 -8.015 -13.731 -12.548 1.00 0.00 O ATOM 194 OD2 ASP A 13 -7.058 -13.810 -14.526 1.00 0.00 O ATOM 0 H ASP A 13 -4.733 -12.317 -12.491 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.260 -14.014 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.977 -14.535 -13.371 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.974 -15.678 -12.492 1.00 0.00 H new ATOM 199 N ALA A 14 -3.047 -14.307 -11.279 1.00 0.00 N ATOM 200 CA ALA A 14 -1.800 -14.894 -10.816 1.00 0.00 C ATOM 201 C ALA A 14 -1.554 -14.608 -9.349 1.00 0.00 C ATOM 202 O ALA A 14 -1.124 -15.486 -8.603 1.00 0.00 O ATOM 203 CB ALA A 14 -0.639 -14.399 -11.662 1.00 0.00 C ATOM 0 H ALA A 14 -2.936 -13.635 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.881 -15.975 -10.926 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.288 -14.846 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.801 -14.681 -12.702 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.571 -13.314 -11.587 1.00 0.00 H new ATOM 209 N ALA A 15 -1.840 -13.382 -8.921 1.00 0.00 N ATOM 210 CA ALA A 15 -1.652 -13.028 -7.522 1.00 0.00 C ATOM 211 C ALA A 15 -2.379 -14.045 -6.657 1.00 0.00 C ATOM 212 O ALA A 15 -1.926 -14.402 -5.569 1.00 0.00 O ATOM 213 CB ALA A 15 -2.129 -11.609 -7.248 1.00 0.00 C ATOM 0 H ALA A 15 -2.196 -12.631 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.590 -13.051 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.977 -11.371 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.563 -10.910 -7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.189 -11.529 -7.489 1.00 0.00 H new ATOM 219 N ALA A 16 -3.487 -14.550 -7.187 1.00 0.00 N ATOM 220 CA ALA A 16 -4.259 -15.578 -6.507 1.00 0.00 C ATOM 221 C ALA A 16 -3.505 -16.887 -6.573 1.00 0.00 C ATOM 222 O ALA A 16 -3.432 -17.640 -5.603 1.00 0.00 O ATOM 223 CB ALA A 16 -5.606 -15.753 -7.178 1.00 0.00 C ATOM 0 H ALA A 16 -3.870 -14.262 -8.088 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.412 -15.280 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.173 -16.525 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.156 -14.812 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.459 -16.047 -8.217 1.00 0.00 H new ATOM 229 N ASN A 17 -2.959 -17.145 -7.756 1.00 0.00 N ATOM 230 CA ASN A 17 -2.213 -18.358 -8.024 1.00 0.00 C ATOM 231 C ASN A 17 -1.075 -18.564 -7.032 1.00 0.00 C ATOM 232 O ASN A 17 -0.932 -19.640 -6.464 1.00 0.00 O ATOM 233 CB ASN A 17 -1.658 -18.326 -9.449 1.00 0.00 C ATOM 234 CG ASN A 17 -2.695 -18.675 -10.496 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.593 -19.693 -11.167 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.699 -17.819 -10.635 1.00 0.00 N ATOM 0 H ASN A 17 -3.024 -16.514 -8.555 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.902 -19.195 -7.913 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.261 -17.332 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.825 -19.024 -9.524 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.429 -17.997 -11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.741 -16.983 -10.052 1.00 0.00 H new ATOM 243 N LYS A 18 -0.255 -17.526 -6.811 1.00 0.00 N ATOM 244 CA LYS A 18 0.858 -17.653 -5.882 1.00 0.00 C ATOM 245 C LYS A 18 0.346 -18.005 -4.490 1.00 0.00 C ATOM 246 O LYS A 18 1.026 -18.689 -3.727 1.00 0.00 O ATOM 247 CB LYS A 18 1.709 -16.382 -5.854 1.00 0.00 C ATOM 248 CG LYS A 18 0.925 -15.114 -5.571 1.00 0.00 C ATOM 249 CD LYS A 18 0.466 -15.062 -4.128 1.00 0.00 C ATOM 250 CE LYS A 18 0.690 -13.690 -3.513 1.00 0.00 C ATOM 251 NZ LYS A 18 2.022 -13.586 -2.856 1.00 0.00 N ATOM 0 H LYS A 18 -0.344 -16.612 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 18 1.500 -18.463 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.484 -16.494 -5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.215 -16.276 -6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.545 -14.244 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.060 -15.063 -6.232 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.593 -15.316 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.004 -15.812 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.607 -12.927 -4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.092 -13.488 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.899 -13.288 -1.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.495 -14.512 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.604 -12.886 -3.359 1.00 0.00 H new ATOM 265 N VAL A 19 -0.873 -17.570 -4.179 1.00 0.00 N ATOM 266 CA VAL A 19 -1.477 -17.875 -2.892 1.00 0.00 C ATOM 267 C VAL A 19 -1.925 -19.323 -2.858 1.00 0.00 C ATOM 268 O VAL A 19 -1.360 -20.147 -2.145 1.00 0.00 O ATOM 269 CB VAL A 19 -2.694 -16.970 -2.593 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.356 -17.366 -1.279 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.288 -15.505 -2.564 1.00 0.00 C ATOM 0 H VAL A 19 -1.456 -17.008 -4.799 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.718 -17.693 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.418 -17.108 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.210 -16.715 -1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.695 -18.400 -1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.638 -17.267 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.162 -14.889 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.538 -15.351 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.872 -15.223 -3.531 1.00 0.00 H new ATOM 281 N LYS A 20 -2.948 -19.627 -3.653 1.00 0.00 N ATOM 282 CA LYS A 20 -3.507 -20.970 -3.742 1.00 0.00 C ATOM 283 C LYS A 20 -2.455 -22.016 -4.100 1.00 0.00 C ATOM 284 O LYS A 20 -2.675 -23.210 -3.911 1.00 0.00 O ATOM 285 CB LYS A 20 -4.613 -21.016 -4.797 1.00 0.00 C ATOM 286 CG LYS A 20 -4.322 -20.176 -6.033 1.00 0.00 C ATOM 287 CD LYS A 20 -4.545 -20.973 -7.316 1.00 0.00 C ATOM 288 CE LYS A 20 -5.867 -21.730 -7.291 1.00 0.00 C ATOM 289 NZ LYS A 20 -6.687 -21.456 -8.503 1.00 0.00 N ATOM 0 H LYS A 20 -3.412 -18.946 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.906 -21.205 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.768 -22.051 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.545 -20.673 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.964 -19.295 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.292 -19.821 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.530 -20.297 -8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.725 -21.678 -7.453 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.671 -22.800 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.430 -21.449 -6.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.578 -21.990 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.896 -20.439 -8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.161 -21.748 -9.351 1.00 0.00 H new ATOM 303 N SER A 21 -1.336 -21.574 -4.656 1.00 0.00 N ATOM 304 CA SER A 21 -0.293 -22.496 -5.075 1.00 0.00 C ATOM 305 C SER A 21 0.676 -22.837 -3.950 1.00 0.00 C ATOM 306 O SER A 21 1.017 -24.012 -3.759 1.00 0.00 O ATOM 307 CB SER A 21 0.480 -21.924 -6.264 1.00 0.00 C ATOM 308 OG SER A 21 -0.339 -21.852 -7.419 1.00 0.00 O ATOM 0 H SER A 21 -1.129 -20.590 -4.826 1.00 0.00 H new ATOM 0 HA SER A 21 -0.792 -23.419 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.852 -20.930 -6.016 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.350 -22.547 -6.470 1.00 0.00 H new ATOM 0 HG SER A 21 -0.971 -21.109 -7.326 1.00 0.00 H new ATOM 314 N LEU A 22 1.127 -21.834 -3.220 1.00 0.00 N ATOM 315 CA LEU A 22 2.067 -22.073 -2.138 1.00 0.00 C ATOM 316 C LEU A 22 1.333 -22.501 -0.885 1.00 0.00 C ATOM 317 O LEU A 22 1.894 -23.211 -0.047 1.00 0.00 O ATOM 318 CB LEU A 22 2.957 -20.833 -1.899 1.00 0.00 C ATOM 319 CG LEU A 22 2.613 -19.932 -0.704 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.250 -19.300 -0.889 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.688 -20.691 0.612 1.00 0.00 C ATOM 0 H LEU A 22 0.863 -20.858 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 22 2.730 -22.890 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.985 -21.175 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.930 -20.221 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 22 3.358 -19.138 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.024 -18.665 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.249 -18.698 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.495 -20.082 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.438 -20.020 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.982 -21.521 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.698 -21.077 0.753 1.00 0.00 H new ATOM 333 N ILE A 23 0.077 -22.102 -0.749 1.00 0.00 N ATOM 334 CA ILE A 23 -0.712 -22.481 0.399 1.00 0.00 C ATOM 335 C ILE A 23 -1.079 -23.942 0.312 1.00 0.00 C ATOM 336 O ILE A 23 -0.880 -24.713 1.256 1.00 0.00 O ATOM 337 CB ILE A 23 -1.978 -21.638 0.510 1.00 0.00 C ATOM 338 CG1 ILE A 23 -2.805 -21.755 -0.761 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.617 -20.188 0.763 1.00 0.00 C ATOM 340 CD1 ILE A 23 -3.910 -22.778 -0.673 1.00 0.00 C ATOM 0 H ILE A 23 -0.413 -21.515 -1.424 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.110 -22.306 1.291 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.570 -22.007 1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.240 -20.782 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.146 -22.015 -1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.528 -19.594 0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.053 -20.110 1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.010 -19.815 -0.062 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.456 -22.805 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.482 -23.760 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.592 -22.509 0.134 1.00 0.00 H new ATOM 352 N SER A 24 -1.574 -24.349 -0.852 1.00 0.00 N ATOM 353 CA SER A 24 -1.924 -25.734 -1.088 1.00 0.00 C ATOM 354 C SER A 24 -0.690 -26.600 -0.863 1.00 0.00 C ATOM 355 O SER A 24 -0.791 -27.792 -0.558 1.00 0.00 O ATOM 356 CB SER A 24 -2.442 -25.923 -2.504 1.00 0.00 C ATOM 357 OG SER A 24 -3.845 -25.736 -2.561 1.00 0.00 O ATOM 0 H SER A 24 -1.740 -23.732 -1.647 1.00 0.00 H new ATOM 0 HA SER A 24 -2.714 -26.028 -0.397 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.950 -25.216 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.190 -26.923 -2.857 1.00 0.00 H new ATOM 0 HG SER A 24 -4.045 -24.897 -3.027 1.00 0.00 H new ATOM 363 N GLU A 25 0.476 -25.977 -1.013 1.00 0.00 N ATOM 364 CA GLU A 25 1.740 -26.658 -0.828 1.00 0.00 C ATOM 365 C GLU A 25 2.075 -26.751 0.655 1.00 0.00 C ATOM 366 O GLU A 25 2.870 -27.595 1.065 1.00 0.00 O ATOM 367 CB GLU A 25 2.855 -25.919 -1.575 1.00 0.00 C ATOM 368 CG GLU A 25 3.573 -26.790 -2.602 1.00 0.00 C ATOM 369 CD GLU A 25 5.004 -27.096 -2.205 1.00 0.00 C ATOM 370 OE1 GLU A 25 5.650 -26.224 -1.589 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.481 -28.209 -2.502 1.00 0.00 O ATOM 0 H GLU A 25 0.564 -24.992 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 25 1.656 -27.666 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.432 -25.050 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.582 -25.547 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.026 -27.725 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.567 -26.286 -3.568 1.00 0.00 H new ATOM 378 N GLU A 26 1.450 -25.893 1.464 1.00 0.00 N ATOM 379 CA GLU A 26 1.679 -25.910 2.892 1.00 0.00 C ATOM 380 C GLU A 26 0.867 -27.026 3.528 1.00 0.00 C ATOM 381 O GLU A 26 1.136 -27.440 4.663 1.00 0.00 O ATOM 382 CB GLU A 26 1.325 -24.574 3.523 1.00 0.00 C ATOM 383 CG GLU A 26 2.247 -23.441 3.097 1.00 0.00 C ATOM 384 CD GLU A 26 1.786 -22.096 3.600 1.00 0.00 C ATOM 385 OE1 GLU A 26 0.640 -21.705 3.292 1.00 0.00 O ATOM 386 OE2 GLU A 26 2.571 -21.424 4.301 1.00 0.00 O ATOM 0 H GLU A 26 0.787 -25.185 1.148 1.00 0.00 H new ATOM 0 HA GLU A 26 2.740 -26.090 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.299 -24.316 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.360 -24.672 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.253 -23.638 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.307 -23.416 2.009 1.00 0.00 H new ATOM 393 N GLU A 27 -0.146 -27.483 2.805 1.00 0.00 N ATOM 394 CA GLU A 27 -1.032 -28.528 3.289 1.00 0.00 C ATOM 395 C GLU A 27 -2.069 -27.922 4.221 1.00 0.00 C ATOM 396 O GLU A 27 -2.807 -28.635 4.896 1.00 0.00 O ATOM 397 CB GLU A 27 -0.250 -29.626 4.019 1.00 0.00 C ATOM 398 CG GLU A 27 -0.729 -31.030 3.698 1.00 0.00 C ATOM 399 CD GLU A 27 0.191 -31.760 2.731 1.00 0.00 C ATOM 400 OE1 GLU A 27 1.178 -32.363 3.196 1.00 0.00 O ATOM 401 OE2 GLU A 27 -0.076 -31.724 1.514 1.00 0.00 O ATOM 0 H GLU A 27 -0.375 -27.141 1.872 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.528 -28.983 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.805 -29.543 3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.327 -29.462 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.806 -31.603 4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.730 -30.979 3.271 1.00 0.00 H new ATOM 408 N ASN A 28 -2.138 -26.587 4.232 1.00 0.00 N ATOM 409 CA ASN A 28 -3.105 -25.901 5.073 1.00 0.00 C ATOM 410 C ASN A 28 -4.497 -26.396 4.751 1.00 0.00 C ATOM 411 O ASN A 28 -5.109 -27.096 5.560 1.00 0.00 O ATOM 412 CB ASN A 28 -3.076 -24.372 4.877 1.00 0.00 C ATOM 413 CG ASN A 28 -1.746 -23.843 4.409 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.712 -23.391 3.165 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.765 -23.830 5.148 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.543 -25.974 3.675 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.839 -26.118 6.108 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.842 -24.094 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.337 -23.890 5.819 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.839 -24.189 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.123 -23.460 4.810 1.00 0.00 H new ATOM 422 N THR A 29 -4.985 -26.013 3.575 1.00 0.00 N ATOM 423 CA THR A 29 -6.326 -26.412 3.141 1.00 0.00 C ATOM 424 C THR A 29 -6.878 -25.500 2.050 1.00 0.00 C ATOM 425 O THR A 29 -7.455 -25.967 1.062 1.00 0.00 O ATOM 426 CB THR A 29 -7.295 -26.376 4.322 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.640 -26.333 3.886 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.064 -25.176 5.221 1.00 0.00 C ATOM 0 H THR A 29 -4.479 -25.431 2.908 1.00 0.00 H new ATOM 0 HA THR A 29 -6.235 -27.422 2.741 1.00 0.00 H new ATOM 0 HB THR A 29 -7.106 -27.292 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.236 -26.312 4.664 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.777 -25.196 6.045 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.050 -25.209 5.618 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.199 -24.260 4.646 1.00 0.00 H new ATOM 436 N ASP A 30 -6.732 -24.196 2.242 1.00 0.00 N ATOM 437 CA ASP A 30 -7.245 -23.205 1.301 1.00 0.00 C ATOM 438 C ASP A 30 -7.076 -21.827 1.908 1.00 0.00 C ATOM 439 O ASP A 30 -8.043 -21.163 2.282 1.00 0.00 O ATOM 440 CB ASP A 30 -8.720 -23.464 0.986 1.00 0.00 C ATOM 441 CG ASP A 30 -8.911 -24.147 -0.358 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.431 -23.604 -1.376 1.00 0.00 O ATOM 443 OD2 ASP A 30 -9.543 -25.225 -0.393 1.00 0.00 O ATOM 0 H ASP A 30 -6.257 -23.795 3.050 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.688 -23.273 0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.154 -24.084 1.771 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.262 -22.518 0.991 1.00 0.00 H new ATOM 448 N LEU A 31 -5.825 -21.438 2.037 1.00 0.00 N ATOM 449 CA LEU A 31 -5.454 -20.185 2.632 1.00 0.00 C ATOM 450 C LEU A 31 -6.049 -18.987 1.913 1.00 0.00 C ATOM 451 O LEU A 31 -6.327 -19.025 0.717 1.00 0.00 O ATOM 452 CB LEU A 31 -3.939 -20.085 2.637 1.00 0.00 C ATOM 453 CG LEU A 31 -3.307 -20.031 4.015 1.00 0.00 C ATOM 454 CD1 LEU A 31 -3.958 -18.938 4.829 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.442 -21.374 4.711 1.00 0.00 C ATOM 0 H LEU A 31 -5.030 -21.996 1.725 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.853 -20.164 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.531 -20.941 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.646 -19.192 2.084 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.245 -19.808 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.503 -18.901 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.818 -17.980 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.024 -19.144 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.984 -21.320 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.497 -21.626 4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.942 -22.142 4.121 1.00 0.00 H new ATOM 467 N LYS A 32 -6.216 -17.917 2.677 1.00 0.00 N ATOM 468 CA LYS A 32 -6.756 -16.668 2.169 1.00 0.00 C ATOM 469 C LYS A 32 -5.689 -15.582 2.255 1.00 0.00 C ATOM 470 O LYS A 32 -5.150 -15.320 3.329 1.00 0.00 O ATOM 471 CB LYS A 32 -7.994 -16.258 2.975 1.00 0.00 C ATOM 472 CG LYS A 32 -8.867 -17.431 3.399 1.00 0.00 C ATOM 473 CD LYS A 32 -9.894 -17.013 4.439 1.00 0.00 C ATOM 474 CE LYS A 32 -10.822 -15.941 3.897 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.742 -15.421 4.955 1.00 0.00 N ATOM 0 H LYS A 32 -5.980 -17.892 3.669 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.051 -16.802 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.674 -15.715 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.592 -15.569 2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.377 -17.841 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.240 -18.225 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.478 -17.881 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.384 -16.641 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.232 -15.119 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.408 -16.349 3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.361 -14.691 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.323 -16.201 5.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.183 -15.009 5.729 1.00 0.00 H new ATOM 489 N LEU A 33 -5.370 -14.968 1.124 1.00 0.00 N ATOM 490 CA LEU A 33 -4.355 -13.931 1.083 1.00 0.00 C ATOM 491 C LEU A 33 -4.718 -12.766 1.993 1.00 0.00 C ATOM 492 O LEU A 33 -5.891 -12.455 2.181 1.00 0.00 O ATOM 493 CB LEU A 33 -4.197 -13.430 -0.354 1.00 0.00 C ATOM 494 CG LEU A 33 -2.886 -12.708 -0.670 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.926 -11.280 -0.149 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.692 -13.458 -0.094 1.00 0.00 C ATOM 0 H LEU A 33 -5.802 -15.172 0.223 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.416 -14.357 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.292 -14.282 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.024 -12.755 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.770 -12.678 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.985 -10.781 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.749 -10.743 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.073 -11.291 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.774 -12.921 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.796 -13.531 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.650 -14.459 -0.523 1.00 0.00 H new ATOM 508 N ARG A 34 -3.698 -12.111 2.537 1.00 0.00 N ATOM 509 CA ARG A 34 -3.904 -10.959 3.401 1.00 0.00 C ATOM 510 C ARG A 34 -2.824 -9.916 3.149 1.00 0.00 C ATOM 511 O ARG A 34 -1.708 -10.015 3.657 1.00 0.00 O ATOM 512 CB ARG A 34 -3.926 -11.371 4.873 1.00 0.00 C ATOM 513 CG ARG A 34 -3.854 -10.204 5.848 1.00 0.00 C ATOM 514 CD ARG A 34 -3.515 -10.674 7.252 1.00 0.00 C ATOM 515 NE ARG A 34 -3.389 -9.559 8.186 1.00 0.00 N ATOM 516 CZ ARG A 34 -2.745 -9.634 9.347 1.00 0.00 C ATOM 517 NH1 ARG A 34 -2.170 -10.767 9.720 1.00 0.00 N ATOM 518 NH2 ARG A 34 -2.675 -8.570 10.136 1.00 0.00 N ATOM 0 H ARG A 34 -2.719 -12.360 2.393 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.874 -10.522 3.165 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.837 -11.936 5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.088 -12.042 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.102 -9.491 5.510 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.809 -9.678 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.290 -11.355 7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.582 -11.236 7.231 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.820 -8.670 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.220 -11.587 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.677 -10.819 10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.115 -7.695 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.181 -8.627 11.027 1.00 0.00 H new ATOM 532 N VAL A 35 -3.166 -8.928 2.341 1.00 0.00 N ATOM 533 CA VAL A 35 -2.235 -7.869 1.986 1.00 0.00 C ATOM 534 C VAL A 35 -2.009 -6.873 3.114 1.00 0.00 C ATOM 535 O VAL A 35 -2.877 -6.642 3.955 1.00 0.00 O ATOM 536 CB VAL A 35 -2.728 -7.085 0.762 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.655 -6.129 0.267 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.154 -8.028 -0.339 1.00 0.00 C ATOM 0 H VAL A 35 -4.088 -8.836 1.915 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.294 -8.375 1.768 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.595 -6.496 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.026 -5.584 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.403 -5.423 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.765 -6.694 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.500 -7.452 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.308 -8.648 -0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.962 -8.665 0.020 1.00 0.00 H new ATOM 548 N TYR A 36 -0.834 -6.266 3.079 1.00 0.00 N ATOM 549 CA TYR A 36 -0.438 -5.249 4.043 1.00 0.00 C ATOM 550 C TYR A 36 0.305 -4.141 3.309 1.00 0.00 C ATOM 551 O TYR A 36 0.473 -4.206 2.091 1.00 0.00 O ATOM 552 CB TYR A 36 0.445 -5.837 5.150 1.00 0.00 C ATOM 553 CG TYR A 36 1.150 -7.116 4.762 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.433 -8.286 4.551 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.529 -7.152 4.608 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.072 -9.457 4.195 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.177 -8.319 4.255 1.00 0.00 C ATOM 558 CZ TYR A 36 2.444 -9.470 4.049 1.00 0.00 C ATOM 559 OH TYR A 36 3.084 -10.636 3.697 1.00 0.00 O ATOM 0 H TYR A 36 -0.122 -6.466 2.376 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.333 -4.849 4.520 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.191 -5.096 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.171 -6.026 6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.641 -8.280 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.105 -6.252 4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.501 -10.359 4.032 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.251 -8.331 4.141 1.00 0.00 H new ATOM 0 HH TYR A 36 4.049 -10.474 3.635 1.00 0.00 H new ATOM 569 N ILE A 37 0.747 -3.124 4.032 1.00 0.00 N ATOM 570 CA ILE A 37 1.462 -2.020 3.405 1.00 0.00 C ATOM 571 C ILE A 37 2.949 -2.339 3.254 1.00 0.00 C ATOM 572 O ILE A 37 3.661 -2.519 4.242 1.00 0.00 O ATOM 573 CB ILE A 37 1.280 -0.708 4.199 1.00 0.00 C ATOM 574 CG1 ILE A 37 -0.123 -0.142 3.971 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.328 0.318 3.797 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.449 0.101 2.514 1.00 0.00 C ATOM 0 H ILE A 37 0.626 -3.038 5.041 1.00 0.00 H new ATOM 0 HA ILE A 37 1.034 -1.883 2.412 1.00 0.00 H new ATOM 0 HB ILE A 37 1.406 -0.931 5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.856 -0.832 4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.221 0.796 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.179 1.233 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.323 -0.079 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.234 0.536 2.733 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.459 0.502 2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.261 0.815 2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.384 -0.839 1.965 1.00 0.00 H new ATOM 672 N GLN A 46 3.172 -1.864 -4.105 1.00 0.00 N ATOM 673 CA GLN A 46 3.519 -3.268 -3.910 1.00 0.00 C ATOM 674 C GLN A 46 2.581 -3.942 -2.920 1.00 0.00 C ATOM 675 O GLN A 46 1.719 -4.725 -3.305 1.00 0.00 O ATOM 676 CB GLN A 46 4.960 -3.403 -3.425 1.00 0.00 C ATOM 677 CG GLN A 46 5.991 -3.170 -4.513 1.00 0.00 C ATOM 678 CD GLN A 46 7.370 -2.908 -3.950 1.00 0.00 C ATOM 679 OE1 GLN A 46 8.270 -3.739 -4.059 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.536 -1.743 -3.343 1.00 0.00 N ATOM 0 HA GLN A 46 3.415 -3.765 -4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.130 -2.692 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.103 -4.400 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.028 -4.040 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.684 -2.322 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.758 -1.086 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.442 -1.502 -2.940 1.00 0.00 H new ATOM 689 N TYR A 47 2.765 -3.643 -1.641 1.00 0.00 N ATOM 690 CA TYR A 47 1.945 -4.232 -0.588 1.00 0.00 C ATOM 691 C TYR A 47 2.307 -5.700 -0.392 1.00 0.00 C ATOM 692 O TYR A 47 2.187 -6.511 -1.311 1.00 0.00 O ATOM 693 CB TYR A 47 0.457 -4.087 -0.913 1.00 0.00 C ATOM 694 CG TYR A 47 0.062 -2.687 -1.319 1.00 0.00 C ATOM 695 CD1 TYR A 47 -0.267 -1.734 -0.363 1.00 0.00 C ATOM 696 CD2 TYR A 47 0.016 -2.318 -2.657 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.629 -0.452 -0.729 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.346 -1.037 -3.031 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.668 -0.109 -2.063 1.00 0.00 C ATOM 700 OH TYR A 47 -1.030 1.167 -2.430 1.00 0.00 O ATOM 0 H TYR A 47 3.477 -2.994 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 47 2.144 -3.697 0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.200 -4.776 -1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.127 -4.383 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.239 -2.000 0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.267 -3.043 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.880 0.278 0.027 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.376 -0.765 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.006 1.246 -3.407 1.00 0.00 H new ATOM 710 N GLY A 48 2.763 -6.028 0.811 1.00 0.00 N ATOM 711 CA GLY A 48 3.157 -7.394 1.116 1.00 0.00 C ATOM 712 C GLY A 48 1.979 -8.336 1.265 1.00 0.00 C ATOM 713 O GLY A 48 0.983 -8.001 1.905 1.00 0.00 O ATOM 0 H GLY A 48 2.868 -5.371 1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.810 -7.762 0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.738 -7.400 2.038 1.00 0.00 H new ATOM 717 N PHE A 49 2.089 -9.514 0.653 1.00 0.00 N ATOM 718 CA PHE A 49 1.027 -10.510 0.700 1.00 0.00 C ATOM 719 C PHE A 49 1.356 -11.673 1.629 1.00 0.00 C ATOM 720 O PHE A 49 2.447 -12.241 1.576 1.00 0.00 O ATOM 721 CB PHE A 49 0.772 -11.057 -0.700 1.00 0.00 C ATOM 722 CG PHE A 49 -0.141 -10.201 -1.513 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.053 -8.823 -1.448 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.096 -10.773 -2.330 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.899 -8.028 -2.183 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.952 -9.987 -3.071 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.854 -8.610 -2.998 1.00 0.00 C ATOM 0 H PHE A 49 2.908 -9.800 0.117 1.00 0.00 H new ATOM 0 HA PHE A 49 0.140 -10.010 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.724 -11.158 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.345 -12.057 -0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.690 -8.366 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.173 -11.849 -2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.819 -6.953 -2.125 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.696 -10.445 -3.706 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.522 -7.989 -3.576 1.00 0.00 H new ATOM 737 N THR A 50 0.379 -12.047 2.447 1.00 0.00 N ATOM 738 CA THR A 50 0.525 -13.177 3.363 1.00 0.00 C ATOM 739 C THR A 50 -0.660 -14.122 3.190 1.00 0.00 C ATOM 740 O THR A 50 -1.677 -13.746 2.610 1.00 0.00 O ATOM 741 CB THR A 50 0.615 -12.709 4.818 1.00 0.00 C ATOM 742 OG1 THR A 50 1.154 -13.726 5.635 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.723 -12.316 5.398 1.00 0.00 C ATOM 0 H THR A 50 -0.528 -11.583 2.496 1.00 0.00 H new ATOM 0 HA THR A 50 1.452 -13.698 3.124 1.00 0.00 H new ATOM 0 HB THR A 50 1.260 -11.831 4.804 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.206 -13.409 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.591 -11.994 6.431 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.147 -11.499 4.814 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.398 -13.171 5.368 1.00 0.00 H new ATOM 751 N PHE A 51 -0.534 -15.343 3.686 1.00 0.00 N ATOM 752 CA PHE A 51 -1.604 -16.314 3.564 1.00 0.00 C ATOM 753 C PHE A 51 -2.231 -16.572 4.915 1.00 0.00 C ATOM 754 O PHE A 51 -1.682 -17.306 5.743 1.00 0.00 O ATOM 755 CB PHE A 51 -1.056 -17.589 2.922 1.00 0.00 C ATOM 756 CG PHE A 51 -0.065 -17.270 1.841 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.498 -16.844 0.598 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.294 -17.348 2.085 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.411 -16.507 -0.387 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.209 -17.007 1.108 1.00 0.00 C ATOM 761 CZ PHE A 51 1.767 -16.586 -0.131 1.00 0.00 C ATOM 0 H PHE A 51 0.295 -15.682 4.174 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.392 -15.927 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.581 -18.207 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.878 -18.172 2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.557 -16.774 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.644 -17.680 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.062 -16.182 -1.356 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.268 -17.069 1.312 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.479 -16.319 -0.898 1.00 0.00 H new ATOM 771 N ASP A 52 -3.370 -15.941 5.149 1.00 0.00 N ATOM 772 CA ASP A 52 -4.086 -16.064 6.415 1.00 0.00 C ATOM 773 C ASP A 52 -5.466 -16.692 6.229 1.00 0.00 C ATOM 774 O ASP A 52 -6.365 -16.100 5.632 1.00 0.00 O ATOM 775 CB ASP A 52 -4.202 -14.692 7.094 1.00 0.00 C ATOM 776 CG ASP A 52 -5.274 -13.816 6.485 1.00 0.00 C ATOM 777 OD1 ASP A 52 -5.485 -13.903 5.258 1.00 0.00 O ATOM 778 OD2 ASP A 52 -5.904 -13.039 7.232 1.00 0.00 O ATOM 0 H ASP A 52 -3.826 -15.330 4.471 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.512 -16.731 7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.416 -14.835 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.242 -14.179 7.029 1.00 0.00 H new ATOM 783 N GLU A 53 -5.614 -17.904 6.735 1.00 0.00 N ATOM 784 CA GLU A 53 -6.869 -18.642 6.625 1.00 0.00 C ATOM 785 C GLU A 53 -7.879 -18.219 7.691 1.00 0.00 C ATOM 786 O GLU A 53 -9.056 -18.556 7.603 1.00 0.00 O ATOM 787 CB GLU A 53 -6.595 -20.141 6.758 1.00 0.00 C ATOM 788 CG GLU A 53 -7.098 -20.952 5.577 1.00 0.00 C ATOM 789 CD GLU A 53 -8.186 -21.936 5.959 1.00 0.00 C ATOM 790 OE1 GLU A 53 -8.265 -22.302 7.152 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.955 -22.342 5.073 1.00 0.00 O ATOM 0 H GLU A 53 -4.876 -18.405 7.231 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.298 -18.417 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.522 -20.299 6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.066 -20.510 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.480 -20.274 4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.263 -21.495 5.133 1.00 0.00 H new ATOM 881 N LEU A 60 -10.363 -5.827 5.556 1.00 0.00 N ATOM 882 CA LEU A 60 -11.351 -5.984 4.492 1.00 0.00 C ATOM 883 C LEU A 60 -11.010 -7.220 3.682 1.00 0.00 C ATOM 884 O LEU A 60 -9.841 -7.592 3.593 1.00 0.00 O ATOM 885 CB LEU A 60 -11.420 -4.746 3.580 1.00 0.00 C ATOM 886 CG LEU A 60 -12.033 -3.486 4.208 1.00 0.00 C ATOM 887 CD1 LEU A 60 -13.540 -3.462 3.998 1.00 0.00 C ATOM 888 CD2 LEU A 60 -11.700 -3.390 5.689 1.00 0.00 C ATOM 0 HA LEU A 60 -12.334 -6.095 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.410 -4.508 3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.997 -5.004 2.692 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.598 -2.620 3.710 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.956 -2.562 4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.759 -3.466 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.986 -4.341 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -12.148 -2.488 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.095 -4.263 6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.618 -3.350 5.817 1.00 0.00 H new ATOM 900 N THR A 61 -12.010 -7.886 3.127 1.00 0.00 N ATOM 901 CA THR A 61 -11.758 -9.113 2.383 1.00 0.00 C ATOM 902 C THR A 61 -12.375 -9.126 0.987 1.00 0.00 C ATOM 903 O THR A 61 -13.565 -8.861 0.804 1.00 0.00 O ATOM 904 CB THR A 61 -12.239 -10.319 3.192 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.610 -10.575 2.953 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.048 -10.145 4.682 1.00 0.00 C ATOM 0 H THR A 61 -12.989 -7.605 3.175 1.00 0.00 H new ATOM 0 HA THR A 61 -10.680 -9.168 2.232 1.00 0.00 H new ATOM 0 HB THR A 61 -11.627 -11.157 2.859 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.894 -11.351 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.408 -11.033 5.201 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.989 -10.002 4.899 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.609 -9.274 5.021 1.00 0.00 H new ATOM 914 N ILE A 62 -11.539 -9.476 0.022 1.00 0.00 N ATOM 915 CA ILE A 62 -11.914 -9.589 -1.376 1.00 0.00 C ATOM 916 C ILE A 62 -11.576 -10.999 -1.860 1.00 0.00 C ATOM 917 O ILE A 62 -10.445 -11.448 -1.710 1.00 0.00 O ATOM 918 CB ILE A 62 -11.159 -8.557 -2.241 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.741 -8.320 -1.698 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.938 -7.255 -2.308 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.677 -7.431 -0.469 1.00 0.00 C ATOM 0 H ILE A 62 -10.558 -9.694 0.195 1.00 0.00 H new ATOM 0 HA ILE A 62 -12.982 -9.395 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.067 -8.956 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.292 -9.284 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.134 -7.874 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.394 -6.537 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.918 -7.439 -2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.062 -6.853 -1.302 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.639 -7.318 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.093 -6.452 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.253 -7.884 0.338 1.00 0.00 H new ATOM 933 N GLU A 63 -12.551 -11.713 -2.410 1.00 0.00 N ATOM 934 CA GLU A 63 -12.312 -13.080 -2.869 1.00 0.00 C ATOM 935 C GLU A 63 -11.223 -13.131 -3.936 1.00 0.00 C ATOM 936 O GLU A 63 -11.004 -12.160 -4.661 1.00 0.00 O ATOM 937 CB GLU A 63 -13.594 -13.690 -3.415 1.00 0.00 C ATOM 938 CG GLU A 63 -13.558 -15.207 -3.504 1.00 0.00 C ATOM 939 CD GLU A 63 -14.931 -15.832 -3.296 1.00 0.00 C ATOM 940 OE1 GLU A 63 -15.713 -15.296 -2.484 1.00 0.00 O ATOM 941 OE2 GLU A 63 -15.215 -16.850 -3.943 1.00 0.00 O ATOM 0 H GLU A 63 -13.504 -11.376 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.974 -13.658 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.428 -13.392 -2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.787 -13.281 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.171 -15.502 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.867 -15.596 -2.756 1.00 0.00 H new ATOM 948 N LYS A 64 -10.543 -14.273 -4.027 1.00 0.00 N ATOM 949 CA LYS A 64 -9.478 -14.452 -5.006 1.00 0.00 C ATOM 950 C LYS A 64 -9.854 -15.507 -6.036 1.00 0.00 C ATOM 951 O LYS A 64 -10.858 -16.203 -5.892 1.00 0.00 O ATOM 952 CB LYS A 64 -8.167 -14.841 -4.318 1.00 0.00 C ATOM 953 CG LYS A 64 -7.648 -13.772 -3.367 1.00 0.00 C ATOM 954 CD LYS A 64 -6.244 -14.073 -2.852 1.00 0.00 C ATOM 955 CE LYS A 64 -5.170 -13.593 -3.816 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.662 -12.244 -3.453 1.00 0.00 N ATOM 0 H LYS A 64 -10.712 -15.086 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.338 -13.500 -5.519 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.316 -15.769 -3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.411 -15.040 -5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.645 -12.809 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.329 -13.682 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.102 -13.594 -1.883 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.137 -15.146 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.343 -14.303 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.575 -13.568 -4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.625 -12.232 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.064 -11.536 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.941 -12.019 -2.477 1.00 0.00 H new ATOM 970 N SER A 65 -9.036 -15.606 -7.073 1.00 0.00 N ATOM 971 CA SER A 65 -9.265 -16.566 -8.148 1.00 0.00 C ATOM 972 C SER A 65 -9.523 -17.976 -7.617 1.00 0.00 C ATOM 973 O SER A 65 -10.388 -18.689 -8.121 1.00 0.00 O ATOM 974 CB SER A 65 -8.058 -16.592 -9.087 1.00 0.00 C ATOM 975 OG SER A 65 -8.460 -16.518 -10.442 1.00 0.00 O ATOM 0 H SER A 65 -8.203 -15.031 -7.195 1.00 0.00 H new ATOM 0 HA SER A 65 -10.156 -16.243 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.396 -15.757 -8.856 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.487 -17.506 -8.924 1.00 0.00 H new ATOM 0 HG SER A 65 -7.668 -16.535 -11.019 1.00 0.00 H new ATOM 981 N GLY A 66 -8.758 -18.366 -6.604 1.00 0.00 N ATOM 982 CA GLY A 66 -8.916 -19.695 -6.040 1.00 0.00 C ATOM 983 C GLY A 66 -8.974 -19.703 -4.527 1.00 0.00 C ATOM 984 O GLY A 66 -8.956 -20.757 -3.900 1.00 0.00 O ATOM 0 H GLY A 66 -8.037 -17.792 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.829 -20.143 -6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.087 -20.322 -6.368 1.00 0.00 H new ATOM 988 N VAL A 67 -9.042 -18.516 -3.928 1.00 0.00 N ATOM 989 CA VAL A 67 -9.098 -18.394 -2.471 1.00 0.00 C ATOM 990 C VAL A 67 -9.775 -17.086 -2.061 1.00 0.00 C ATOM 991 O VAL A 67 -10.633 -16.575 -2.780 1.00 0.00 O ATOM 992 CB VAL A 67 -7.686 -18.486 -1.857 1.00 0.00 C ATOM 993 CG1 VAL A 67 -6.973 -19.738 -2.323 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.869 -17.252 -2.200 1.00 0.00 C ATOM 0 H VAL A 67 -9.060 -17.626 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.693 -19.223 -2.088 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.794 -18.538 -0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.980 -19.779 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.544 -20.616 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.881 -19.722 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.877 -17.338 -1.757 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.777 -17.166 -3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.366 -16.365 -1.807 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.384 -16.539 -0.909 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.955 -15.288 -0.426 1.00 0.00 C ATOM 1006 C GLN A 68 -8.856 -14.308 -0.014 1.00 0.00 C ATOM 1007 O GLN A 68 -7.905 -14.680 0.672 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.892 -15.559 0.755 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.357 -15.345 0.425 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.865 -13.988 0.873 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.030 -12.969 0.734 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -13.994 -13.859 1.337 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.676 -16.944 -0.297 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.526 -14.837 -1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.750 -16.585 1.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.616 -14.909 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.501 -15.446 -0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.950 -16.126 0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.605 -14.671 1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.322 -12.940 1.633 1.00 0.00 H new ATOM 1021 N LEU A 69 -8.992 -13.056 -0.437 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.013 -12.026 -0.107 1.00 0.00 C ATOM 1023 C LEU A 69 -8.553 -11.096 0.978 1.00 0.00 C ATOM 1024 O LEU A 69 -9.706 -10.691 0.936 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.654 -11.219 -1.361 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.852 -9.937 -1.122 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.816 -10.136 -0.029 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.172 -9.510 -2.405 1.00 0.00 C ATOM 0 H LEU A 69 -9.771 -12.730 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.115 -12.513 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.084 -11.861 -2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.577 -10.956 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.542 -9.157 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.261 -9.210 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.315 -10.413 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.127 -10.929 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.603 -8.597 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.498 -10.299 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.924 -9.326 -3.172 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.712 -10.762 1.953 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.116 -9.876 3.039 1.00 0.00 C ATOM 1042 C VAL A 70 -6.986 -8.894 3.364 1.00 0.00 C ATOM 1043 O VAL A 70 -5.943 -9.276 3.886 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.560 -10.672 4.300 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.931 -12.102 3.935 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.495 -10.673 5.386 1.00 0.00 C ATOM 0 H VAL A 70 -6.748 -11.091 2.013 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.985 -9.307 2.708 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.438 -10.164 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.238 -12.639 4.833 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.753 -12.093 3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.069 -12.600 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.852 -11.241 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.584 -11.131 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.285 -9.648 5.691 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.185 -7.626 3.025 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.155 -6.614 3.258 1.00 0.00 C ATOM 1058 C ILE A 71 -6.425 -5.791 4.513 1.00 0.00 C ATOM 1059 O ILE A 71 -7.516 -5.836 5.081 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.979 -5.675 2.040 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -7.051 -4.589 2.025 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -6.022 -6.470 0.743 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.448 -5.140 1.881 1.00 0.00 C ATOM 0 H ILE A 71 -8.039 -7.274 2.593 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.226 -7.164 3.407 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.005 -5.194 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.988 -4.011 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.852 -3.901 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.897 -5.794 -0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.218 -7.206 0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.982 -6.980 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.164 -4.319 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.526 -5.694 0.946 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.664 -5.806 2.716 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.405 -5.055 4.945 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.499 -4.228 6.148 1.00 0.00 C ATOM 1077 C ASP A 72 -6.070 -2.841 5.854 1.00 0.00 C ATOM 1078 O ASP A 72 -5.808 -2.260 4.800 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.122 -4.087 6.806 1.00 0.00 C ATOM 1080 CG ASP A 72 -3.309 -5.367 6.744 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -3.909 -6.442 6.535 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -2.073 -5.293 6.906 1.00 0.00 O ATOM 0 H ASP A 72 -4.499 -5.013 4.478 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.184 -4.733 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.569 -3.286 6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.250 -3.793 7.848 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.856 -2.289 6.800 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.466 -0.962 6.660 1.00 0.00 C ATOM 1089 C PRO A 73 -6.472 0.094 6.184 1.00 0.00 C ATOM 1090 O PRO A 73 -6.784 0.915 5.325 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.941 -0.644 8.077 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.210 -1.972 8.691 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.211 -2.923 8.086 1.00 0.00 C ATOM 0 HA PRO A 73 -8.260 -0.957 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.182 -0.096 8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.838 -0.024 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.101 -1.929 9.775 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.230 -2.296 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.337 -3.046 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.640 -3.914 7.939 1.00 0.00 H new ATOM 1101 N MET A 74 -5.268 0.072 6.746 1.00 0.00 N ATOM 1102 CA MET A 74 -4.241 1.027 6.367 1.00 0.00 C ATOM 1103 C MET A 74 -3.987 0.942 4.865 1.00 0.00 C ATOM 1104 O MET A 74 -3.855 1.952 4.179 1.00 0.00 O ATOM 1105 CB MET A 74 -2.961 0.773 7.185 1.00 0.00 C ATOM 1106 CG MET A 74 -1.652 0.969 6.429 1.00 0.00 C ATOM 1107 SD MET A 74 -0.370 1.733 7.444 1.00 0.00 S ATOM 1108 CE MET A 74 -0.622 0.892 9.006 1.00 0.00 C ATOM 0 H MET A 74 -4.983 -0.595 7.463 1.00 0.00 H new ATOM 0 HA MET A 74 -4.576 2.040 6.589 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.965 1.437 8.049 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.991 -0.247 7.567 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.297 0.003 6.069 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.833 1.590 5.552 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.315 0.868 9.562 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.375 1.423 9.588 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.960 -0.128 8.820 1.00 0.00 H new ATOM 1118 N SER A 75 -3.951 -0.268 4.352 1.00 0.00 N ATOM 1119 CA SER A 75 -3.748 -0.467 2.931 1.00 0.00 C ATOM 1120 C SER A 75 -5.038 -0.155 2.180 1.00 0.00 C ATOM 1121 O SER A 75 -5.010 0.334 1.052 1.00 0.00 O ATOM 1122 CB SER A 75 -3.307 -1.902 2.647 1.00 0.00 C ATOM 1123 OG SER A 75 -2.561 -2.431 3.729 1.00 0.00 O ATOM 0 H SER A 75 -4.059 -1.126 4.893 1.00 0.00 H new ATOM 0 HA SER A 75 -2.962 0.207 2.590 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.183 -2.525 2.466 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.704 -1.927 1.739 1.00 0.00 H new ATOM 0 HG SER A 75 -2.816 -3.366 3.876 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.173 -0.442 2.820 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.485 -0.207 2.221 1.00 0.00 C ATOM 1131 C LEU A 76 -7.553 1.156 1.540 1.00 0.00 C ATOM 1132 O LEU A 76 -8.074 1.277 0.434 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.578 -0.347 3.286 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.734 0.655 3.211 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.907 0.138 4.010 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -9.300 2.008 3.745 1.00 0.00 C ATOM 0 H LEU A 76 -6.208 -0.840 3.759 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.649 -0.959 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.993 -1.353 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.112 -0.258 4.267 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.030 0.773 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.728 0.853 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.231 -0.819 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.609 0.007 5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.134 2.708 3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.987 1.906 4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.467 2.384 3.151 1.00 0.00 H new ATOM 1148 N GLN A 77 -7.034 2.175 2.209 1.00 0.00 N ATOM 1149 CA GLN A 77 -7.049 3.524 1.664 1.00 0.00 C ATOM 1150 C GLN A 77 -5.894 3.736 0.682 1.00 0.00 C ATOM 1151 O GLN A 77 -5.933 4.650 -0.140 1.00 0.00 O ATOM 1152 CB GLN A 77 -7.046 4.569 2.797 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.760 5.378 2.952 1.00 0.00 C ATOM 1154 CD GLN A 77 -5.075 5.106 4.270 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.992 3.833 4.629 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.627 6.024 4.955 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.598 2.094 3.128 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.972 3.657 1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.871 5.262 2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.247 4.057 3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.080 5.138 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.989 6.441 2.875 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.715 6.989 4.636 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.167 5.821 5.842 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.871 2.887 0.770 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.719 2.989 -0.115 1.00 0.00 C ATOM 1167 C TYR A 78 -3.983 2.295 -1.451 1.00 0.00 C ATOM 1168 O TYR A 78 -3.575 2.778 -2.507 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.487 2.350 0.533 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.855 3.175 1.631 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.620 3.710 2.656 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.485 3.401 1.648 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -2.040 4.451 3.667 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.104 4.140 2.655 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.677 4.662 3.664 1.00 0.00 C ATOM 1176 OH TYR A 78 -0.094 5.398 4.670 1.00 0.00 O ATOM 0 H TYR A 78 -4.819 2.124 1.445 1.00 0.00 H new ATOM 0 HA TYR A 78 -3.539 4.050 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.770 1.380 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.741 2.165 -0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.687 3.545 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.130 2.992 0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.651 4.863 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.171 4.308 2.652 1.00 0.00 H new ATOM 0 HH TYR A 78 0.873 5.451 4.519 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.637 1.139 -1.385 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.927 0.342 -2.580 1.00 0.00 C ATOM 1188 C LEU A 79 -6.270 0.684 -3.232 1.00 0.00 C ATOM 1189 O LEU A 79 -6.528 0.286 -4.363 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.810 -1.167 -2.290 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.803 -1.811 -1.300 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.116 -2.095 0.020 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -7.040 -0.959 -1.069 1.00 0.00 C ATOM 0 H LEU A 79 -4.978 0.730 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.164 0.610 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.902 -1.694 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.803 -1.355 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.137 -2.745 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.827 -2.549 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.282 -2.778 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.744 -1.163 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.702 -1.462 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.745 0.008 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.562 -0.811 -2.015 1.00 0.00 H new ATOM 1205 N ILE A 80 -7.135 1.375 -2.496 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.484 1.722 -2.977 1.00 0.00 C ATOM 1207 C ILE A 80 -8.653 1.592 -4.495 1.00 0.00 C ATOM 1208 O ILE A 80 -7.942 2.213 -5.284 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.881 3.161 -2.580 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -8.075 4.186 -3.377 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.683 3.382 -1.096 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -6.582 4.028 -3.220 1.00 0.00 C ATOM 0 H ILE A 80 -6.931 1.712 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.136 0.995 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.937 3.294 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.333 4.099 -4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.362 5.189 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.969 4.402 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.302 2.680 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.635 3.224 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.071 4.787 -3.812 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.312 4.144 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.283 3.038 -3.564 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.635 0.775 -4.863 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.984 0.524 -6.254 1.00 0.00 C ATOM 1226 C GLY A 81 -8.825 0.543 -7.239 1.00 0.00 C ATOM 1227 O GLY A 81 -9.017 0.890 -8.405 1.00 0.00 O ATOM 0 H GLY A 81 -10.215 0.265 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.474 -0.448 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.714 1.270 -6.566 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.635 0.153 -6.802 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.500 0.125 -7.712 1.00 0.00 C ATOM 1233 C GLY A 82 -6.456 -1.166 -8.511 1.00 0.00 C ATOM 1234 O GLY A 82 -7.497 -1.763 -8.787 1.00 0.00 O ATOM 0 H GLY A 82 -7.433 -0.142 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.558 0.974 -8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.576 0.234 -7.145 1.00 0.00 H new ATOM 1238 N THR A 83 -5.257 -1.609 -8.875 1.00 0.00 N ATOM 1239 CA THR A 83 -5.096 -2.847 -9.634 1.00 0.00 C ATOM 1240 C THR A 83 -3.758 -3.504 -9.304 1.00 0.00 C ATOM 1241 O THR A 83 -2.724 -2.839 -9.266 1.00 0.00 O ATOM 1242 CB THR A 83 -5.192 -2.578 -11.136 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.530 -2.305 -11.512 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.705 -3.737 -11.982 1.00 0.00 C ATOM 0 H THR A 83 -4.383 -1.131 -8.658 1.00 0.00 H new ATOM 0 HA THR A 83 -5.901 -3.526 -9.352 1.00 0.00 H new ATOM 0 HB THR A 83 -4.548 -1.718 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 83 -7.087 -2.232 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.800 -3.482 -13.038 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.660 -3.942 -11.751 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.305 -4.621 -11.767 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.781 -4.815 -9.069 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.559 -5.546 -8.746 1.00 0.00 C ATOM 1254 C VAL A 84 -2.398 -6.779 -9.621 1.00 0.00 C ATOM 1255 O VAL A 84 -3.377 -7.372 -10.071 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.492 -5.977 -7.251 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.743 -5.577 -6.487 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.239 -7.473 -7.111 1.00 0.00 C ATOM 0 H VAL A 84 -4.625 -5.388 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.743 -4.850 -8.940 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.649 -5.445 -6.811 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.653 -5.897 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.861 -4.494 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.613 -6.053 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.198 -7.738 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.046 -8.025 -7.593 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.291 -7.728 -7.586 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.150 -7.173 -9.829 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.847 -8.356 -10.617 1.00 0.00 C ATOM 1270 C ASP A 85 0.458 -8.992 -10.157 1.00 0.00 C ATOM 1271 O ASP A 85 1.406 -8.297 -9.794 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.777 -8.017 -12.105 1.00 0.00 C ATOM 1273 CG ASP A 85 -0.094 -6.689 -12.372 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.646 -5.645 -11.966 1.00 0.00 O ATOM 1275 OD2 ASP A 85 0.994 -6.693 -12.986 1.00 0.00 O ATOM 0 H ASP A 85 -0.331 -6.689 -9.462 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.653 -9.074 -10.466 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.241 -8.808 -12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.787 -7.991 -12.515 1.00 0.00 H new ATOM 1280 N TYR A 86 0.498 -10.318 -10.174 1.00 0.00 N ATOM 1281 CA TYR A 86 1.680 -11.054 -9.758 1.00 0.00 C ATOM 1282 C TYR A 86 2.244 -11.868 -10.914 1.00 0.00 C ATOM 1283 O TYR A 86 1.497 -12.450 -11.700 1.00 0.00 O ATOM 1284 CB TYR A 86 1.328 -11.976 -8.597 1.00 0.00 C ATOM 1285 CG TYR A 86 2.204 -11.794 -7.383 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.585 -11.824 -7.489 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.643 -11.599 -6.128 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.389 -11.665 -6.380 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.439 -11.439 -5.010 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.812 -11.475 -5.140 1.00 0.00 C ATOM 1291 OH TYR A 86 4.610 -11.317 -4.030 1.00 0.00 O ATOM 0 H TYR A 86 -0.280 -10.906 -10.473 1.00 0.00 H new ATOM 0 HA TYR A 86 2.439 -10.340 -9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.290 -11.805 -8.312 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.400 -13.010 -8.933 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.040 -11.975 -8.457 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.568 -11.572 -6.024 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.464 -11.689 -6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.989 -11.287 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 86 4.047 -11.193 -3.237 1.00 0.00 H new ATOM 1301 N THR A 87 3.563 -11.908 -11.010 1.00 0.00 N ATOM 1302 CA THR A 87 4.219 -12.660 -12.070 1.00 0.00 C ATOM 1303 C THR A 87 5.583 -13.171 -11.618 1.00 0.00 C ATOM 1304 O THR A 87 6.599 -12.498 -11.798 1.00 0.00 O ATOM 1305 CB THR A 87 4.374 -11.793 -13.319 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.112 -11.337 -13.773 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.042 -12.514 -14.471 1.00 0.00 C ATOM 0 H THR A 87 4.199 -11.431 -10.371 1.00 0.00 H new ATOM 0 HA THR A 87 3.593 -13.520 -12.308 1.00 0.00 H new ATOM 0 HB THR A 87 5.009 -10.961 -13.015 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.233 -10.783 -14.572 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.120 -11.841 -15.325 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.039 -12.836 -14.170 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.448 -13.385 -14.749 1.00 0.00 H new ATOM 1413 N PHE A 95 6.096 -8.250 -7.640 1.00 0.00 N ATOM 1414 CA PHE A 95 4.745 -7.773 -7.386 1.00 0.00 C ATOM 1415 C PHE A 95 4.583 -6.321 -7.812 1.00 0.00 C ATOM 1416 O PHE A 95 5.380 -5.462 -7.433 1.00 0.00 O ATOM 1417 CB PHE A 95 4.409 -7.925 -5.901 1.00 0.00 C ATOM 1418 CG PHE A 95 2.937 -7.895 -5.611 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.042 -8.566 -6.429 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.449 -7.194 -4.520 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.689 -8.536 -6.165 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.096 -7.162 -4.251 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.215 -7.834 -5.076 1.00 0.00 C ATOM 0 HA PHE A 95 4.055 -8.376 -7.977 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.823 -8.866 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.897 -7.126 -5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.408 -9.118 -7.282 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.135 -6.667 -3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.001 -9.062 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.727 -6.613 -3.397 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.845 -7.810 -4.869 1.00 0.00 H new ATOM 1433 N THR A 96 3.550 -6.050 -8.602 1.00 0.00 N ATOM 1434 CA THR A 96 3.297 -4.693 -9.075 1.00 0.00 C ATOM 1435 C THR A 96 1.822 -4.326 -8.957 1.00 0.00 C ATOM 1436 O THR A 96 0.951 -5.027 -9.471 1.00 0.00 O ATOM 1437 CB THR A 96 3.754 -4.538 -10.524 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.771 -5.474 -10.833 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.290 -3.157 -10.833 1.00 0.00 C ATOM 0 H THR A 96 2.878 -6.746 -8.927 1.00 0.00 H new ATOM 0 HA THR A 96 3.869 -4.014 -8.443 1.00 0.00 H new ATOM 0 HB THR A 96 2.864 -4.711 -11.130 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.049 -5.359 -11.766 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.598 -3.112 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.512 -2.416 -10.651 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.147 -2.948 -10.193 1.00 0.00 H new ATOM 1447 N VAL A 97 1.555 -3.214 -8.279 1.00 0.00 N ATOM 1448 CA VAL A 97 0.190 -2.733 -8.091 1.00 0.00 C ATOM 1449 C VAL A 97 0.051 -1.309 -8.620 1.00 0.00 C ATOM 1450 O VAL A 97 1.049 -0.634 -8.870 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.224 -2.763 -6.605 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.734 -2.690 -6.461 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.315 -4.006 -5.911 1.00 0.00 C ATOM 0 H VAL A 97 2.269 -2.627 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.468 -3.401 -8.648 1.00 0.00 H new ATOM 0 HB VAL A 97 0.211 -1.887 -6.123 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.000 -2.713 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.098 -1.764 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.189 -3.540 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.008 -4.001 -4.865 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.080 -4.896 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.403 -4.012 -5.970 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.185 -0.856 -8.797 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.430 0.490 -9.306 1.00 0.00 C ATOM 1465 C ASN A 98 -2.711 1.081 -8.727 1.00 0.00 C ATOM 1466 O ASN A 98 -3.776 0.469 -8.790 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.507 0.468 -10.833 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.366 -0.314 -11.453 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.804 0.016 -11.262 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.701 -1.357 -12.204 1.00 0.00 N ATOM 0 H ASN A 98 -2.027 -1.395 -8.598 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.598 1.122 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.456 0.029 -11.141 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.492 1.490 -11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.025 -1.919 -12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.684 -1.596 -12.336 1.00 0.00 H new