USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 491 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 73 SER OG : rot -72:sc= 0.0588 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.368 USER MOD Set 2.1: A 56 LYS NZ :NH3+ -158:sc= -0.0374 (180deg=-0.294) USER MOD Set 2.2: A 57 GLN : amide:sc= -1.62 X(o=-1.7,f=-1.7) USER MOD Single : A 8 SER OG : rot 37:sc= 0.0266 USER MOD Single : A 9 MET CE :methyl -124:sc= -2.66! (180deg=-2.87) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -37:sc= -1.49 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.37) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.0983 (180deg=-0.493) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -3.07 K(o=-3.1,f=-7.7!) USER MOD Single : A 63 THR OG1 : rot 133:sc= -0.28 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= -2.64 (180deg=-3.68!) USER MOD Single : A 76 HIS : no HE2:sc= -3.88! X(o=-3.9!,f=-3.4) USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 8 0.689 16.744 -7.516 1.00 12.14 N ATOM 92 CA SER A 8 1.531 16.581 -8.695 1.00 2.22 C ATOM 93 C SER A 8 1.398 15.173 -9.267 1.00 52.31 C ATOM 94 O SER A 8 1.561 14.961 -10.468 1.00 73.11 O ATOM 95 CB SER A 8 2.993 16.867 -8.348 1.00 53.54 C ATOM 96 OG SER A 8 3.168 18.214 -7.949 1.00 22.55 O ATOM 0 HA SER A 8 1.199 17.294 -9.450 1.00 2.22 H new ATOM 0 HB2 SER A 8 3.317 16.202 -7.547 1.00 53.54 H new ATOM 0 HB3 SER A 8 3.623 16.656 -9.212 1.00 53.54 H new ATOM 0 HG SER A 8 2.390 18.505 -7.429 1.00 22.55 H new ATOM 101 N MET A 9 1.101 14.213 -8.397 1.00 63.12 N ATOM 102 CA MET A 9 0.945 12.825 -8.814 1.00 53.22 C ATOM 103 C MET A 9 -0.508 12.378 -8.685 1.00 11.22 C ATOM 104 O MET A 9 -1.153 12.622 -7.666 1.00 65.32 O ATOM 105 CB MET A 9 1.846 11.915 -7.978 1.00 51.35 C ATOM 106 CG MET A 9 3.069 12.620 -7.415 1.00 22.13 C ATOM 107 SD MET A 9 4.124 13.315 -8.702 1.00 64.14 S ATOM 108 CE MET A 9 4.541 11.841 -9.629 1.00 54.42 C ATOM 0 H MET A 9 0.964 14.371 -7.399 1.00 63.12 H new ATOM 0 HA MET A 9 1.238 12.752 -9.861 1.00 53.22 H new ATOM 0 HB2 MET A 9 1.265 11.500 -7.154 1.00 51.35 H new ATOM 0 HB3 MET A 9 2.172 11.076 -8.593 1.00 51.35 H new ATOM 0 HG2 MET A 9 2.748 13.417 -6.744 1.00 22.13 H new ATOM 0 HG3 MET A 9 3.647 11.915 -6.818 1.00 22.13 H new ATOM 0 HE1 MET A 9 5.625 11.739 -9.682 1.00 54.42 H new ATOM 0 HE2 MET A 9 4.118 10.967 -9.133 1.00 54.42 H new ATOM 0 HE3 MET A 9 4.134 11.918 -10.637 1.00 54.42 H new ATOM 116 N GLN A 10 -1.016 11.724 -9.724 1.00 44.45 N ATOM 117 CA GLN A 10 -2.393 11.245 -9.725 1.00 12.54 C ATOM 118 C GLN A 10 -2.456 9.769 -10.105 1.00 20.02 C ATOM 119 O GLN A 10 -1.658 9.291 -10.913 1.00 12.25 O ATOM 120 CB GLN A 10 -3.241 12.069 -10.696 1.00 33.32 C ATOM 121 CG GLN A 10 -3.113 13.570 -10.490 1.00 12.34 C ATOM 122 CD GLN A 10 -2.573 14.283 -11.715 1.00 14.21 C ATOM 123 OE1 GLN A 10 -1.374 14.545 -11.817 1.00 32.20 O ATOM 124 NE2 GLN A 10 -3.458 14.601 -12.654 1.00 43.12 N ATOM 0 H GLN A 10 -0.495 11.514 -10.575 1.00 44.45 H new ATOM 0 HA GLN A 10 -2.791 11.360 -8.717 1.00 12.54 H new ATOM 0 HB2 GLN A 10 -2.950 11.824 -11.718 1.00 33.32 H new ATOM 0 HB3 GLN A 10 -4.287 11.783 -10.585 1.00 33.32 H new ATOM 0 HG2 GLN A 10 -4.089 13.983 -10.235 1.00 12.34 H new ATOM 0 HG3 GLN A 10 -2.455 13.762 -9.643 1.00 12.34 H new ATOM 0 HE21 GLN A 10 -4.442 14.365 -12.528 1.00 43.12 H new ATOM 0 HE22 GLN A 10 -3.153 15.081 -13.501 1.00 43.12 H new ATOM 131 N ILE A 11 -3.409 9.052 -9.518 1.00 45.14 N ATOM 132 CA ILE A 11 -3.575 7.631 -9.796 1.00 65.40 C ATOM 133 C ILE A 11 -5.039 7.219 -9.693 1.00 40.22 C ATOM 134 O ILE A 11 -5.891 8.009 -9.285 1.00 2.12 O ATOM 135 CB ILE A 11 -2.741 6.767 -8.831 1.00 32.32 C ATOM 136 CG1 ILE A 11 -2.077 5.615 -9.586 1.00 11.20 C ATOM 137 CG2 ILE A 11 -3.616 6.235 -7.706 1.00 35.42 C ATOM 138 CD1 ILE A 11 -1.540 4.528 -8.682 1.00 25.31 C ATOM 0 H ILE A 11 -4.077 9.432 -8.847 1.00 45.14 H new ATOM 0 HA ILE A 11 -3.224 7.465 -10.814 1.00 65.40 H new ATOM 0 HB ILE A 11 -1.959 7.389 -8.395 1.00 32.32 H new ATOM 0 HG12 ILE A 11 -2.800 5.179 -10.275 1.00 11.20 H new ATOM 0 HG13 ILE A 11 -1.260 6.010 -10.190 1.00 11.20 H new ATOM 0 HG21 ILE A 11 -3.013 5.626 -7.032 1.00 35.42 H new ATOM 0 HG22 ILE A 11 -4.046 7.070 -7.153 1.00 35.42 H new ATOM 0 HG23 ILE A 11 -4.417 5.626 -8.125 1.00 35.42 H new ATOM 0 HD11 ILE A 11 -1.083 3.744 -9.287 1.00 25.31 H new ATOM 0 HD12 ILE A 11 -0.793 4.950 -8.010 1.00 25.31 H new ATOM 0 HD13 ILE A 11 -2.357 4.105 -8.097 1.00 25.31 H new ATOM 149 N PHE A 12 -5.325 5.975 -10.065 1.00 31.01 N ATOM 150 CA PHE A 12 -6.687 5.456 -10.014 1.00 33.14 C ATOM 151 C PHE A 12 -6.867 4.517 -8.825 1.00 15.43 C ATOM 152 O PHE A 12 -6.160 3.517 -8.697 1.00 73.31 O ATOM 153 CB PHE A 12 -7.025 4.724 -11.314 1.00 32.21 C ATOM 154 CG PHE A 12 -8.282 5.219 -11.971 1.00 14.23 C ATOM 155 CD1 PHE A 12 -8.417 6.552 -12.324 1.00 22.30 C ATOM 156 CD2 PHE A 12 -9.329 4.351 -12.237 1.00 52.23 C ATOM 157 CE1 PHE A 12 -9.572 7.011 -12.929 1.00 64.42 C ATOM 158 CE2 PHE A 12 -10.485 4.803 -12.842 1.00 13.11 C ATOM 159 CZ PHE A 12 -10.607 6.135 -13.188 1.00 34.24 C ATOM 0 H PHE A 12 -4.632 5.308 -10.405 1.00 31.01 H new ATOM 0 HA PHE A 12 -7.367 6.299 -9.893 1.00 33.14 H new ATOM 0 HB2 PHE A 12 -6.193 4.833 -12.010 1.00 32.21 H new ATOM 0 HB3 PHE A 12 -7.128 3.659 -11.106 1.00 32.21 H new ATOM 0 HD1 PHE A 12 -7.610 7.241 -12.124 1.00 22.30 H new ATOM 0 HD2 PHE A 12 -9.240 3.309 -11.968 1.00 52.23 H new ATOM 0 HE1 PHE A 12 -9.664 8.053 -13.198 1.00 64.42 H new ATOM 0 HE2 PHE A 12 -11.293 4.116 -13.045 1.00 13.11 H new ATOM 0 HZ PHE A 12 -11.511 6.490 -13.660 1.00 34.24 H new ATOM 168 N VAL A 13 -7.820 4.845 -7.958 1.00 45.01 N ATOM 169 CA VAL A 13 -8.094 4.031 -6.779 1.00 11.24 C ATOM 170 C VAL A 13 -9.589 3.776 -6.624 1.00 11.15 C ATOM 171 O VAL A 13 -10.397 4.705 -6.666 1.00 65.42 O ATOM 172 CB VAL A 13 -7.562 4.700 -5.499 1.00 33.23 C ATOM 173 CG1 VAL A 13 -7.859 3.837 -4.282 1.00 35.04 C ATOM 174 CG2 VAL A 13 -6.070 4.971 -5.620 1.00 32.53 C ATOM 0 H VAL A 13 -8.415 5.668 -8.050 1.00 45.01 H new ATOM 0 HA VAL A 13 -7.579 3.081 -6.923 1.00 11.24 H new ATOM 0 HB VAL A 13 -8.072 5.655 -5.370 1.00 33.23 H new ATOM 0 HG11 VAL A 13 -7.475 4.326 -3.387 1.00 35.04 H new ATOM 0 HG12 VAL A 13 -8.936 3.700 -4.187 1.00 35.04 H new ATOM 0 HG13 VAL A 13 -7.378 2.866 -4.399 1.00 35.04 H new ATOM 0 HG21 VAL A 13 -5.711 5.444 -4.706 1.00 32.53 H new ATOM 0 HG22 VAL A 13 -5.541 4.031 -5.774 1.00 32.53 H new ATOM 0 HG23 VAL A 13 -5.888 5.633 -6.467 1.00 32.53 H new ATOM 184 N LYS A 14 -9.953 2.511 -6.444 1.00 24.21 N ATOM 185 CA LYS A 14 -11.352 2.132 -6.280 1.00 24.23 C ATOM 186 C LYS A 14 -11.577 1.454 -4.933 1.00 42.44 C ATOM 187 O LYS A 14 -11.022 0.388 -4.662 1.00 51.53 O ATOM 188 CB LYS A 14 -11.784 1.199 -7.412 1.00 53.22 C ATOM 189 CG LYS A 14 -12.152 1.927 -8.693 1.00 52.42 C ATOM 190 CD LYS A 14 -13.602 2.381 -8.681 1.00 71.42 C ATOM 191 CE LYS A 14 -13.883 3.382 -9.791 1.00 53.24 C ATOM 192 NZ LYS A 14 -13.962 2.722 -11.124 1.00 33.14 N ATOM 0 H LYS A 14 -9.298 1.730 -6.408 1.00 24.21 H new ATOM 0 HA LYS A 14 -11.956 3.039 -6.315 1.00 24.23 H new ATOM 0 HB2 LYS A 14 -10.976 0.498 -7.622 1.00 53.22 H new ATOM 0 HB3 LYS A 14 -12.639 0.610 -7.080 1.00 53.22 H new ATOM 0 HG2 LYS A 14 -11.500 2.791 -8.821 1.00 52.42 H new ATOM 0 HG3 LYS A 14 -11.983 1.271 -9.547 1.00 52.42 H new ATOM 0 HD2 LYS A 14 -14.256 1.516 -8.796 1.00 71.42 H new ATOM 0 HD3 LYS A 14 -13.835 2.831 -7.716 1.00 71.42 H new ATOM 0 HE2 LYS A 14 -14.820 3.899 -9.585 1.00 53.24 H new ATOM 0 HE3 LYS A 14 -13.098 4.138 -9.806 1.00 53.24 H new ATOM 0 HZ1 LYS A 14 -14.155 3.437 -11.854 1.00 33.14 H new ATOM 0 HZ2 LYS A 14 -13.059 2.250 -11.332 1.00 33.14 H new ATOM 0 HZ3 LYS A 14 -14.728 2.018 -11.118 1.00 33.14 H new ATOM 202 N THR A 15 -12.395 2.076 -4.091 1.00 32.51 N ATOM 203 CA THR A 15 -12.694 1.532 -2.772 1.00 62.34 C ATOM 204 C THR A 15 -13.624 0.328 -2.872 1.00 20.44 C ATOM 205 O THR A 15 -14.017 -0.075 -3.966 1.00 54.41 O ATOM 206 CB THR A 15 -13.339 2.592 -1.860 1.00 13.01 C ATOM 207 OG1 THR A 15 -14.663 2.891 -2.317 1.00 72.22 O ATOM 208 CG2 THR A 15 -12.507 3.865 -1.835 1.00 72.01 C ATOM 0 H THR A 15 -12.863 2.958 -4.299 1.00 32.51 H new ATOM 0 HA THR A 15 -11.745 1.219 -2.336 1.00 62.34 H new ATOM 0 HB THR A 15 -13.386 2.188 -0.849 1.00 13.01 H new ATOM 0 HG1 THR A 15 -14.681 2.879 -3.297 1.00 72.22 H new ATOM 0 HG21 THR A 15 -12.983 4.598 -1.184 1.00 72.01 H new ATOM 0 HG22 THR A 15 -11.509 3.640 -1.459 1.00 72.01 H new ATOM 0 HG23 THR A 15 -12.432 4.270 -2.844 1.00 72.01 H new ATOM 216 N LEU A 16 -13.972 -0.240 -1.723 1.00 34.15 N ATOM 217 CA LEU A 16 -14.859 -1.398 -1.680 1.00 5.32 C ATOM 218 C LEU A 16 -16.308 -0.984 -1.914 1.00 43.42 C ATOM 219 O LEU A 16 -17.120 -1.772 -2.402 1.00 22.55 O ATOM 220 CB LEU A 16 -14.731 -2.114 -0.334 1.00 13.32 C ATOM 221 CG LEU A 16 -14.745 -1.219 0.905 1.00 14.14 C ATOM 222 CD1 LEU A 16 -15.872 -1.625 1.844 1.00 11.04 C ATOM 223 CD2 LEU A 16 -13.405 -1.279 1.622 1.00 4.14 C ATOM 0 H LEU A 16 -13.654 0.082 -0.809 1.00 34.15 H new ATOM 0 HA LEU A 16 -14.563 -2.081 -2.477 1.00 5.32 H new ATOM 0 HB2 LEU A 16 -15.546 -2.832 -0.248 1.00 13.32 H new ATOM 0 HB3 LEU A 16 -13.802 -2.685 -0.335 1.00 13.32 H new ATOM 0 HG LEU A 16 -14.918 -0.191 0.585 1.00 14.14 H new ATOM 0 HD11 LEU A 16 -15.867 -0.977 2.720 1.00 11.04 H new ATOM 0 HD12 LEU A 16 -16.827 -1.530 1.328 1.00 11.04 H new ATOM 0 HD13 LEU A 16 -15.730 -2.659 2.157 1.00 11.04 H new ATOM 0 HD21 LEU A 16 -13.434 -0.636 2.501 1.00 4.14 H new ATOM 0 HD22 LEU A 16 -13.202 -2.305 1.929 1.00 4.14 H new ATOM 0 HD23 LEU A 16 -12.617 -0.939 0.950 1.00 4.14 H new ATOM 234 N THR A 17 -16.627 0.259 -1.565 1.00 73.22 N ATOM 235 CA THR A 17 -17.977 0.779 -1.736 1.00 11.41 C ATOM 236 C THR A 17 -18.166 1.367 -3.130 1.00 15.22 C ATOM 237 O THR A 17 -19.271 1.361 -3.673 1.00 41.04 O ATOM 238 CB THR A 17 -18.302 1.858 -0.687 1.00 3.25 C ATOM 239 OG1 THR A 17 -19.710 2.118 -0.671 1.00 54.21 O ATOM 240 CG2 THR A 17 -17.547 3.145 -0.983 1.00 3.32 C ATOM 0 H THR A 17 -15.967 0.924 -1.162 1.00 73.22 H new ATOM 0 HA THR A 17 -18.658 -0.061 -1.603 1.00 11.41 H new ATOM 0 HB THR A 17 -17.990 1.489 0.290 1.00 3.25 H new ATOM 0 HG1 THR A 17 -19.908 2.804 -0.000 1.00 54.21 H new ATOM 0 HG21 THR A 17 -17.793 3.893 -0.229 1.00 3.32 H new ATOM 0 HG22 THR A 17 -16.475 2.950 -0.965 1.00 3.32 H new ATOM 0 HG23 THR A 17 -17.832 3.516 -1.968 1.00 3.32 H new ATOM 248 N GLY A 18 -17.081 1.876 -3.705 1.00 10.22 N ATOM 249 CA GLY A 18 -17.149 2.463 -5.031 1.00 41.55 C ATOM 250 C GLY A 18 -16.533 3.846 -5.086 1.00 21.01 C ATOM 251 O GLY A 18 -16.363 4.416 -6.164 1.00 74.42 O ATOM 0 H GLY A 18 -16.156 1.892 -3.276 1.00 10.22 H new ATOM 0 HA2 GLY A 18 -16.637 1.812 -5.740 1.00 41.55 H new ATOM 0 HA3 GLY A 18 -18.191 2.520 -5.346 1.00 41.55 H new ATOM 255 N LYS A 19 -16.198 4.390 -3.921 1.00 53.13 N ATOM 256 CA LYS A 19 -15.599 5.716 -3.839 1.00 22.31 C ATOM 257 C LYS A 19 -14.238 5.741 -4.528 1.00 63.31 C ATOM 258 O LYS A 19 -13.521 4.739 -4.547 1.00 31.54 O ATOM 259 CB LYS A 19 -15.451 6.142 -2.376 1.00 44.34 C ATOM 260 CG LYS A 19 -16.499 7.142 -1.924 1.00 13.45 C ATOM 261 CD LYS A 19 -17.906 6.613 -2.147 1.00 32.03 C ATOM 262 CE LYS A 19 -18.888 7.201 -1.145 1.00 71.34 C ATOM 263 NZ LYS A 19 -20.087 6.335 -0.969 1.00 23.13 N ATOM 0 H LYS A 19 -16.332 3.932 -3.020 1.00 53.13 H new ATOM 0 HA LYS A 19 -16.258 6.418 -4.350 1.00 22.31 H new ATOM 0 HB2 LYS A 19 -15.508 5.258 -1.742 1.00 44.34 H new ATOM 0 HB3 LYS A 19 -14.461 6.575 -2.231 1.00 44.34 H new ATOM 0 HG2 LYS A 19 -16.357 7.367 -0.867 1.00 13.45 H new ATOM 0 HG3 LYS A 19 -16.370 8.077 -2.469 1.00 13.45 H new ATOM 0 HD2 LYS A 19 -18.230 6.853 -3.160 1.00 32.03 H new ATOM 0 HD3 LYS A 19 -17.905 5.526 -2.062 1.00 32.03 H new ATOM 0 HE2 LYS A 19 -18.391 7.333 -0.184 1.00 71.34 H new ATOM 0 HE3 LYS A 19 -19.200 8.190 -1.480 1.00 71.34 H new ATOM 0 HZ1 LYS A 19 -20.731 6.770 -0.279 1.00 23.13 H new ATOM 0 HZ2 LYS A 19 -20.576 6.230 -1.881 1.00 23.13 H new ATOM 0 HZ3 LYS A 19 -19.792 5.399 -0.625 1.00 23.13 H new ATOM 273 N THR A 20 -13.885 6.893 -5.090 1.00 51.24 N ATOM 274 CA THR A 20 -12.610 7.048 -5.779 1.00 51.31 C ATOM 275 C THR A 20 -11.765 8.139 -5.132 1.00 41.10 C ATOM 276 O THR A 20 -12.259 9.230 -4.844 1.00 44.32 O ATOM 277 CB THR A 20 -12.813 7.386 -7.268 1.00 31.10 C ATOM 278 OG1 THR A 20 -13.888 6.607 -7.805 1.00 31.11 O ATOM 279 CG2 THR A 20 -11.542 7.123 -8.062 1.00 54.23 C ATOM 0 H THR A 20 -14.464 7.732 -5.081 1.00 51.24 H new ATOM 0 HA THR A 20 -12.089 6.094 -5.699 1.00 51.31 H new ATOM 0 HB THR A 20 -13.058 8.445 -7.347 1.00 31.10 H new ATOM 0 HG1 THR A 20 -14.012 6.829 -8.751 1.00 31.11 H new ATOM 0 HG21 THR A 20 -11.710 7.369 -9.110 1.00 54.23 H new ATOM 0 HG22 THR A 20 -10.734 7.740 -7.670 1.00 54.23 H new ATOM 0 HG23 THR A 20 -11.270 6.071 -7.975 1.00 54.23 H new ATOM 287 N ILE A 21 -10.491 7.839 -4.908 1.00 65.51 N ATOM 288 CA ILE A 21 -9.577 8.796 -4.297 1.00 24.21 C ATOM 289 C ILE A 21 -8.256 8.859 -5.057 1.00 50.25 C ATOM 290 O ILE A 21 -7.704 7.831 -5.451 1.00 41.14 O ATOM 291 CB ILE A 21 -9.293 8.443 -2.825 1.00 1.14 C ATOM 292 CG1 ILE A 21 -9.132 6.930 -2.662 1.00 15.31 C ATOM 293 CG2 ILE A 21 -10.409 8.962 -1.931 1.00 72.13 C ATOM 294 CD1 ILE A 21 -10.442 6.204 -2.446 1.00 62.51 C ATOM 0 H ILE A 21 -10.068 6.941 -5.140 1.00 65.51 H new ATOM 0 HA ILE A 21 -10.065 9.770 -4.341 1.00 24.21 H new ATOM 0 HB ILE A 21 -8.361 8.923 -2.525 1.00 1.14 H new ATOM 0 HG12 ILE A 21 -8.644 6.527 -3.549 1.00 15.31 H new ATOM 0 HG13 ILE A 21 -8.472 6.732 -1.817 1.00 15.31 H new ATOM 0 HG21 ILE A 21 -10.194 8.705 -0.894 1.00 72.13 H new ATOM 0 HG22 ILE A 21 -10.480 10.045 -2.029 1.00 72.13 H new ATOM 0 HG23 ILE A 21 -11.354 8.508 -2.229 1.00 72.13 H new ATOM 0 HD11 ILE A 21 -10.253 5.136 -2.338 1.00 62.51 H new ATOM 0 HD12 ILE A 21 -10.922 6.580 -1.542 1.00 62.51 H new ATOM 0 HD13 ILE A 21 -11.096 6.372 -3.301 1.00 62.51 H new ATOM 305 N THR A 22 -7.753 10.072 -5.259 1.00 24.30 N ATOM 306 CA THR A 22 -6.496 10.269 -5.970 1.00 2.42 C ATOM 307 C THR A 22 -5.302 9.962 -5.074 1.00 2.13 C ATOM 308 O THR A 22 -5.128 10.578 -4.022 1.00 11.12 O ATOM 309 CB THR A 22 -6.369 11.711 -6.499 1.00 34.11 C ATOM 310 OG1 THR A 22 -7.653 12.345 -6.504 1.00 32.21 O ATOM 311 CG2 THR A 22 -5.786 11.724 -7.904 1.00 74.01 C ATOM 0 H THR A 22 -8.197 10.933 -4.940 1.00 24.30 H new ATOM 0 HA THR A 22 -6.500 9.579 -6.814 1.00 2.42 H new ATOM 0 HB THR A 22 -5.696 12.258 -5.839 1.00 34.11 H new ATOM 0 HG1 THR A 22 -7.564 13.261 -6.840 1.00 32.21 H new ATOM 0 HG21 THR A 22 -5.706 12.753 -8.255 1.00 74.01 H new ATOM 0 HG22 THR A 22 -4.796 11.267 -7.892 1.00 74.01 H new ATOM 0 HG23 THR A 22 -6.437 11.162 -8.573 1.00 74.01 H new ATOM 319 N LEU A 23 -4.481 9.007 -5.497 1.00 75.03 N ATOM 320 CA LEU A 23 -3.302 8.617 -4.732 1.00 30.13 C ATOM 321 C LEU A 23 -2.025 9.076 -5.430 1.00 44.32 C ATOM 322 O LEU A 23 -1.965 9.134 -6.658 1.00 60.14 O ATOM 323 CB LEU A 23 -3.274 7.101 -4.537 1.00 51.41 C ATOM 324 CG LEU A 23 -3.638 6.597 -3.140 1.00 32.02 C ATOM 325 CD1 LEU A 23 -2.590 7.028 -2.126 1.00 14.14 C ATOM 326 CD2 LEU A 23 -5.016 7.102 -2.734 1.00 60.32 C ATOM 0 H LEU A 23 -4.610 8.488 -6.366 1.00 75.03 H new ATOM 0 HA LEU A 23 -3.355 9.101 -3.757 1.00 30.13 H new ATOM 0 HB2 LEU A 23 -3.960 6.650 -5.254 1.00 51.41 H new ATOM 0 HB3 LEU A 23 -2.275 6.742 -4.782 1.00 51.41 H new ATOM 0 HG LEU A 23 -3.664 5.508 -3.163 1.00 32.02 H new ATOM 0 HD11 LEU A 23 -2.867 6.660 -1.138 1.00 14.14 H new ATOM 0 HD12 LEU A 23 -1.620 6.617 -2.408 1.00 14.14 H new ATOM 0 HD13 LEU A 23 -2.531 8.116 -2.104 1.00 14.14 H new ATOM 0 HD21 LEU A 23 -5.259 6.734 -1.737 1.00 60.32 H new ATOM 0 HD22 LEU A 23 -5.017 8.192 -2.729 1.00 60.32 H new ATOM 0 HD23 LEU A 23 -5.760 6.742 -3.445 1.00 60.32 H new ATOM 337 N GLU A 24 -1.007 9.397 -4.638 1.00 70.20 N ATOM 338 CA GLU A 24 0.269 9.848 -5.181 1.00 44.51 C ATOM 339 C GLU A 24 1.209 8.668 -5.414 1.00 24.33 C ATOM 340 O GLU A 24 1.158 7.668 -4.697 1.00 14.43 O ATOM 341 CB GLU A 24 0.924 10.857 -4.235 1.00 73.32 C ATOM 342 CG GLU A 24 2.435 10.935 -4.378 1.00 35.21 C ATOM 343 CD GLU A 24 3.017 12.181 -3.739 1.00 40.31 C ATOM 344 OE1 GLU A 24 3.356 12.129 -2.539 1.00 30.44 O ATOM 345 OE2 GLU A 24 3.135 13.207 -4.441 1.00 73.11 O ATOM 0 H GLU A 24 -1.041 9.353 -3.619 1.00 70.20 H new ATOM 0 HA GLU A 24 0.076 10.331 -6.139 1.00 44.51 H new ATOM 0 HB2 GLU A 24 0.499 11.844 -4.419 1.00 73.32 H new ATOM 0 HB3 GLU A 24 0.678 10.591 -3.207 1.00 73.32 H new ATOM 0 HG2 GLU A 24 2.885 10.053 -3.922 1.00 35.21 H new ATOM 0 HG3 GLU A 24 2.698 10.917 -5.436 1.00 35.21 H new ATOM 350 N VAL A 25 2.068 8.793 -6.421 1.00 35.24 N ATOM 351 CA VAL A 25 3.020 7.739 -6.749 1.00 41.12 C ATOM 352 C VAL A 25 4.350 8.324 -7.210 1.00 44.40 C ATOM 353 O VAL A 25 4.405 9.449 -7.708 1.00 75.43 O ATOM 354 CB VAL A 25 2.472 6.809 -7.847 1.00 54.31 C ATOM 355 CG1 VAL A 25 3.256 5.507 -7.885 1.00 75.34 C ATOM 356 CG2 VAL A 25 0.990 6.543 -7.628 1.00 21.40 C ATOM 0 H VAL A 25 2.124 9.614 -7.024 1.00 35.24 H new ATOM 0 HA VAL A 25 3.177 7.160 -5.839 1.00 41.12 H new ATOM 0 HB VAL A 25 2.591 7.304 -8.811 1.00 54.31 H new ATOM 0 HG11 VAL A 25 2.854 4.863 -8.667 1.00 75.34 H new ATOM 0 HG12 VAL A 25 4.305 5.720 -8.093 1.00 75.34 H new ATOM 0 HG13 VAL A 25 3.172 5.004 -6.922 1.00 75.34 H new ATOM 0 HG21 VAL A 25 0.619 5.884 -8.413 1.00 21.40 H new ATOM 0 HG22 VAL A 25 0.845 6.069 -6.657 1.00 21.40 H new ATOM 0 HG23 VAL A 25 0.443 7.485 -7.657 1.00 21.40 H new ATOM 366 N GLU A 26 5.419 7.553 -7.044 1.00 43.43 N ATOM 367 CA GLU A 26 6.750 7.995 -7.445 1.00 42.31 C ATOM 368 C GLU A 26 7.792 6.918 -7.157 1.00 52.14 C ATOM 369 O GLU A 26 7.638 6.095 -6.254 1.00 31.54 O ATOM 370 CB GLU A 26 7.122 9.288 -6.715 1.00 1.24 C ATOM 371 CG GLU A 26 7.219 10.497 -7.631 1.00 1.32 C ATOM 372 CD GLU A 26 8.525 11.250 -7.467 1.00 22.21 C ATOM 373 OE1 GLU A 26 8.742 11.833 -6.383 1.00 1.14 O ATOM 374 OE2 GLU A 26 9.330 11.256 -8.421 1.00 64.31 O ATOM 0 H GLU A 26 5.390 6.619 -6.635 1.00 43.43 H new ATOM 0 HA GLU A 26 6.735 8.182 -8.519 1.00 42.31 H new ATOM 0 HB2 GLU A 26 6.379 9.486 -5.943 1.00 1.24 H new ATOM 0 HB3 GLU A 26 8.077 9.148 -6.209 1.00 1.24 H new ATOM 0 HG2 GLU A 26 7.119 10.172 -8.667 1.00 1.32 H new ATOM 0 HG3 GLU A 26 6.387 11.171 -7.426 1.00 1.32 H new ATOM 379 N PRO A 27 8.878 6.921 -7.943 1.00 21.03 N ATOM 380 CA PRO A 27 9.967 5.951 -7.792 1.00 44.12 C ATOM 381 C PRO A 27 10.770 6.174 -6.515 1.00 33.33 C ATOM 382 O PRO A 27 11.340 5.236 -5.956 1.00 33.12 O ATOM 383 CB PRO A 27 10.840 6.203 -9.023 1.00 23.55 C ATOM 384 CG PRO A 27 10.567 7.619 -9.397 1.00 22.34 C ATOM 385 CD PRO A 27 9.129 7.872 -9.038 1.00 11.43 C ATOM 0 HA PRO A 27 9.595 4.929 -7.718 1.00 44.12 H new ATOM 0 HB2 PRO A 27 11.895 6.049 -8.798 1.00 23.55 H new ATOM 0 HB3 PRO A 27 10.585 5.523 -9.835 1.00 23.55 H new ATOM 0 HG2 PRO A 27 11.229 8.299 -8.860 1.00 22.34 H new ATOM 0 HG3 PRO A 27 10.738 7.782 -10.461 1.00 22.34 H new ATOM 0 HD2 PRO A 27 8.970 8.902 -8.720 1.00 11.43 H new ATOM 0 HD3 PRO A 27 8.466 7.694 -9.885 1.00 11.43 H new ATOM 390 N SER A 28 10.810 7.421 -6.056 1.00 1.32 N ATOM 391 CA SER A 28 11.546 7.768 -4.846 1.00 41.44 C ATOM 392 C SER A 28 10.590 8.094 -3.704 1.00 33.13 C ATOM 393 O SER A 28 11.008 8.262 -2.558 1.00 35.23 O ATOM 394 CB SER A 28 12.470 8.959 -5.109 1.00 11.51 C ATOM 395 OG SER A 28 11.736 10.170 -5.167 1.00 64.23 O ATOM 0 H SER A 28 10.341 8.208 -6.504 1.00 1.32 H new ATOM 0 HA SER A 28 12.149 6.907 -4.558 1.00 41.44 H new ATOM 0 HB2 SER A 28 13.220 9.022 -4.321 1.00 11.51 H new ATOM 0 HB3 SER A 28 13.005 8.809 -6.047 1.00 11.51 H new ATOM 0 HG SER A 28 12.349 10.916 -5.334 1.00 64.23 H new ATOM 400 N ASP A 29 9.303 8.182 -4.025 1.00 73.32 N ATOM 401 CA ASP A 29 8.285 8.487 -3.026 1.00 61.15 C ATOM 402 C ASP A 29 7.503 7.233 -2.645 1.00 64.04 C ATOM 403 O ASP A 29 6.721 6.711 -3.440 1.00 71.23 O ATOM 404 CB ASP A 29 7.329 9.558 -3.551 1.00 24.14 C ATOM 405 CG ASP A 29 6.895 10.528 -2.470 1.00 34.40 C ATOM 406 OD1 ASP A 29 7.750 10.926 -1.653 1.00 24.52 O ATOM 407 OD2 ASP A 29 5.699 10.889 -2.441 1.00 54.54 O ATOM 0 H ASP A 29 8.941 8.046 -4.969 1.00 73.32 H new ATOM 0 HA ASP A 29 8.788 8.864 -2.136 1.00 61.15 H new ATOM 0 HB2 ASP A 29 7.813 10.110 -4.357 1.00 24.14 H new ATOM 0 HB3 ASP A 29 6.449 9.077 -3.978 1.00 24.14 H new ATOM 411 N THR A 30 7.723 6.753 -1.425 1.00 33.33 N ATOM 412 CA THR A 30 7.041 5.559 -0.939 1.00 11.24 C ATOM 413 C THR A 30 5.671 5.903 -0.365 1.00 1.12 C ATOM 414 O THR A 30 5.330 7.076 -0.209 1.00 4.41 O ATOM 415 CB THR A 30 7.871 4.838 0.139 1.00 21.11 C ATOM 416 OG1 THR A 30 7.216 3.627 0.533 1.00 3.53 O ATOM 417 CG2 THR A 30 8.071 5.730 1.354 1.00 70.24 C ATOM 0 H THR A 30 8.368 7.172 -0.755 1.00 33.33 H new ATOM 0 HA THR A 30 6.916 4.896 -1.795 1.00 11.24 H new ATOM 0 HB THR A 30 8.848 4.602 -0.283 1.00 21.11 H new ATOM 0 HG1 THR A 30 7.751 3.174 1.218 1.00 3.53 H new ATOM 0 HG21 THR A 30 8.660 5.199 2.102 1.00 70.24 H new ATOM 0 HG22 THR A 30 8.596 6.638 1.056 1.00 70.24 H new ATOM 0 HG23 THR A 30 7.101 5.993 1.776 1.00 70.24 H new ATOM 425 N ILE A 31 4.891 4.875 -0.051 1.00 42.42 N ATOM 426 CA ILE A 31 3.559 5.069 0.508 1.00 11.21 C ATOM 427 C ILE A 31 3.606 5.964 1.741 1.00 22.34 C ATOM 428 O ILE A 31 2.622 6.619 2.082 1.00 31.03 O ATOM 429 CB ILE A 31 2.906 3.727 0.886 1.00 1.33 C ATOM 430 CG1 ILE A 31 2.468 2.975 -0.373 1.00 32.52 C ATOM 431 CG2 ILE A 31 1.721 3.957 1.812 1.00 1.42 C ATOM 432 CD1 ILE A 31 3.600 2.262 -1.077 1.00 63.42 C ATOM 0 H ILE A 31 5.158 3.898 -0.174 1.00 42.42 H new ATOM 0 HA ILE A 31 2.959 5.550 -0.265 1.00 11.21 H new ATOM 0 HB ILE A 31 3.641 3.118 1.413 1.00 1.33 H new ATOM 0 HG12 ILE A 31 1.703 2.247 -0.103 1.00 32.52 H new ATOM 0 HG13 ILE A 31 2.007 3.680 -1.065 1.00 32.52 H new ATOM 0 HG21 ILE A 31 1.270 2.999 2.070 1.00 1.42 H new ATOM 0 HG22 ILE A 31 2.060 4.455 2.720 1.00 1.42 H new ATOM 0 HG23 ILE A 31 0.983 4.582 1.310 1.00 1.42 H new ATOM 0 HD11 ILE A 31 3.215 1.751 -1.960 1.00 63.42 H new ATOM 0 HD12 ILE A 31 4.356 2.988 -1.378 1.00 63.42 H new ATOM 0 HD13 ILE A 31 4.046 1.532 -0.401 1.00 63.42 H new ATOM 443 N GLU A 32 4.758 5.988 2.405 1.00 41.10 N ATOM 444 CA GLU A 32 4.933 6.804 3.601 1.00 1.03 C ATOM 445 C GLU A 32 4.498 8.245 3.344 1.00 60.13 C ATOM 446 O GLU A 32 3.668 8.791 4.069 1.00 53.31 O ATOM 447 CB GLU A 32 6.394 6.774 4.055 1.00 72.43 C ATOM 448 CG GLU A 32 6.605 7.320 5.458 1.00 62.14 C ATOM 449 CD GLU A 32 8.071 7.517 5.792 1.00 30.30 C ATOM 450 OE1 GLU A 32 8.851 7.842 4.873 1.00 3.01 O ATOM 451 OE2 GLU A 32 8.438 7.348 6.974 1.00 53.30 O ATOM 0 H GLU A 32 5.583 5.452 2.135 1.00 41.10 H new ATOM 0 HA GLU A 32 4.306 6.388 4.390 1.00 1.03 H new ATOM 0 HB2 GLU A 32 6.757 5.747 4.015 1.00 72.43 H new ATOM 0 HB3 GLU A 32 6.996 7.353 3.354 1.00 72.43 H new ATOM 0 HG2 GLU A 32 6.083 8.272 5.556 1.00 62.14 H new ATOM 0 HG3 GLU A 32 6.160 6.636 6.181 1.00 62.14 H new ATOM 456 N ASN A 33 5.067 8.853 2.309 1.00 52.01 N ATOM 457 CA ASN A 33 4.739 10.230 1.957 1.00 62.24 C ATOM 458 C ASN A 33 3.406 10.301 1.219 1.00 61.54 C ATOM 459 O ASN A 33 2.630 11.238 1.407 1.00 3.22 O ATOM 460 CB ASN A 33 5.846 10.834 1.091 1.00 44.22 C ATOM 461 CG ASN A 33 7.084 11.185 1.895 1.00 12.42 C ATOM 462 OD1 ASN A 33 8.092 10.481 1.843 1.00 2.41 O ATOM 463 ND2 ASN A 33 7.011 12.278 2.644 1.00 62.30 N ATOM 0 H ASN A 33 5.757 8.415 1.699 1.00 52.01 H new ATOM 0 HA ASN A 33 4.654 10.804 2.880 1.00 62.24 H new ATOM 0 HB2 ASN A 33 6.115 10.128 0.305 1.00 44.22 H new ATOM 0 HB3 ASN A 33 5.470 11.731 0.599 1.00 44.22 H new ATOM 0 HD21 ASN A 33 7.812 12.565 3.207 1.00 62.30 H new ATOM 0 HD22 ASN A 33 6.154 12.832 2.656 1.00 62.30 H new ATOM 469 N VAL A 34 3.145 9.302 0.382 1.00 42.21 N ATOM 470 CA VAL A 34 1.905 9.249 -0.382 1.00 15.31 C ATOM 471 C VAL A 34 0.690 9.378 0.531 1.00 61.54 C ATOM 472 O VAL A 34 -0.328 9.957 0.152 1.00 3.32 O ATOM 473 CB VAL A 34 1.795 7.939 -1.183 1.00 54.13 C ATOM 474 CG1 VAL A 34 0.466 7.874 -1.922 1.00 72.22 C ATOM 475 CG2 VAL A 34 2.959 7.807 -2.152 1.00 4.53 C ATOM 0 H VAL A 34 3.776 8.518 0.216 1.00 42.21 H new ATOM 0 HA VAL A 34 1.925 10.090 -1.076 1.00 15.31 H new ATOM 0 HB VAL A 34 1.837 7.103 -0.485 1.00 54.13 H new ATOM 0 HG11 VAL A 34 0.407 6.941 -2.482 1.00 72.22 H new ATOM 0 HG12 VAL A 34 -0.352 7.918 -1.203 1.00 72.22 H new ATOM 0 HG13 VAL A 34 0.391 8.716 -2.610 1.00 72.22 H new ATOM 0 HG21 VAL A 34 2.864 6.875 -2.709 1.00 4.53 H new ATOM 0 HG22 VAL A 34 2.952 8.647 -2.846 1.00 4.53 H new ATOM 0 HG23 VAL A 34 3.897 7.804 -1.596 1.00 4.53 H new ATOM 485 N LYS A 35 0.805 8.833 1.738 1.00 30.10 N ATOM 486 CA LYS A 35 -0.282 8.888 2.708 1.00 60.20 C ATOM 487 C LYS A 35 -0.758 10.322 2.913 1.00 14.43 C ATOM 488 O LYS A 35 -1.920 10.559 3.241 1.00 31.04 O ATOM 489 CB LYS A 35 0.169 8.294 4.044 1.00 64.54 C ATOM 490 CG LYS A 35 0.306 6.781 4.023 1.00 32.24 C ATOM 491 CD LYS A 35 1.560 6.324 4.750 1.00 13.24 C ATOM 492 CE LYS A 35 1.467 6.593 6.244 1.00 3.12 C ATOM 493 NZ LYS A 35 2.782 6.996 6.816 1.00 30.51 N ATOM 0 H LYS A 35 1.640 8.348 2.067 1.00 30.10 H new ATOM 0 HA LYS A 35 -1.113 8.301 2.317 1.00 60.20 H new ATOM 0 HB2 LYS A 35 1.127 8.733 4.322 1.00 64.54 H new ATOM 0 HB3 LYS A 35 -0.547 8.575 4.817 1.00 64.54 H new ATOM 0 HG2 LYS A 35 -0.570 6.329 4.488 1.00 32.24 H new ATOM 0 HG3 LYS A 35 0.335 6.432 2.991 1.00 32.24 H new ATOM 0 HD2 LYS A 35 1.713 5.258 4.580 1.00 13.24 H new ATOM 0 HD3 LYS A 35 2.428 6.840 4.340 1.00 13.24 H new ATOM 0 HE2 LYS A 35 0.735 7.379 6.427 1.00 3.12 H new ATOM 0 HE3 LYS A 35 1.108 5.698 6.753 1.00 3.12 H new ATOM 0 HZ1 LYS A 35 2.678 7.171 7.836 1.00 30.51 H new ATOM 0 HZ2 LYS A 35 3.475 6.235 6.664 1.00 30.51 H new ATOM 0 HZ3 LYS A 35 3.113 7.864 6.348 1.00 30.51 H new ATOM 503 N ALA A 36 0.147 11.275 2.713 1.00 73.11 N ATOM 504 CA ALA A 36 -0.183 12.687 2.872 1.00 73.13 C ATOM 505 C ALA A 36 -1.131 13.156 1.774 1.00 0.51 C ATOM 506 O ALA A 36 -1.955 14.046 1.989 1.00 50.45 O ATOM 507 CB ALA A 36 1.085 13.527 2.871 1.00 25.30 C ATOM 0 H ALA A 36 1.113 11.095 2.441 1.00 73.11 H new ATOM 0 HA ALA A 36 -0.689 12.812 3.830 1.00 73.13 H new ATOM 0 HB1 ALA A 36 0.825 14.579 2.990 1.00 25.30 H new ATOM 0 HB2 ALA A 36 1.728 13.216 3.695 1.00 25.30 H new ATOM 0 HB3 ALA A 36 1.612 13.389 1.927 1.00 25.30 H new ATOM 513 N LYS A 37 -1.010 12.553 0.596 1.00 55.44 N ATOM 514 CA LYS A 37 -1.857 12.908 -0.537 1.00 63.53 C ATOM 515 C LYS A 37 -3.266 12.353 -0.357 1.00 11.34 C ATOM 516 O LYS A 37 -4.250 13.086 -0.469 1.00 52.55 O ATOM 517 CB LYS A 37 -1.251 12.379 -1.839 1.00 41.03 C ATOM 518 CG LYS A 37 -0.738 13.472 -2.760 1.00 74.23 C ATOM 519 CD LYS A 37 0.721 13.795 -2.483 1.00 24.32 C ATOM 520 CE LYS A 37 0.861 15.017 -1.588 1.00 11.35 C ATOM 521 NZ LYS A 37 2.112 15.774 -1.874 1.00 44.54 N ATOM 0 H LYS A 37 -0.333 11.815 0.401 1.00 55.44 H new ATOM 0 HA LYS A 37 -1.917 13.995 -0.587 1.00 63.53 H new ATOM 0 HB2 LYS A 37 -0.430 11.703 -1.599 1.00 41.03 H new ATOM 0 HB3 LYS A 37 -2.003 11.793 -2.368 1.00 41.03 H new ATOM 0 HG2 LYS A 37 -0.851 13.158 -3.798 1.00 74.23 H new ATOM 0 HG3 LYS A 37 -1.341 14.371 -2.631 1.00 74.23 H new ATOM 0 HD2 LYS A 37 1.201 12.939 -2.009 1.00 24.32 H new ATOM 0 HD3 LYS A 37 1.241 13.971 -3.425 1.00 24.32 H new ATOM 0 HE2 LYS A 37 0.000 15.671 -1.729 1.00 11.35 H new ATOM 0 HE3 LYS A 37 0.856 14.705 -0.544 1.00 11.35 H new ATOM 0 HZ1 LYS A 37 2.170 16.599 -1.244 1.00 44.54 H new ATOM 0 HZ2 LYS A 37 2.935 15.158 -1.715 1.00 44.54 H new ATOM 0 HZ3 LYS A 37 2.105 16.094 -2.863 1.00 44.54 H new ATOM 531 N ILE A 38 -3.356 11.057 -0.079 1.00 53.25 N ATOM 532 CA ILE A 38 -4.646 10.406 0.119 1.00 45.41 C ATOM 533 C ILE A 38 -5.325 10.907 1.388 1.00 14.21 C ATOM 534 O ILE A 38 -6.546 11.054 1.432 1.00 72.02 O ATOM 535 CB ILE A 38 -4.496 8.875 0.199 1.00 51.15 C ATOM 536 CG1 ILE A 38 -5.841 8.227 0.534 1.00 12.14 C ATOM 537 CG2 ILE A 38 -3.448 8.498 1.235 1.00 21.14 C ATOM 538 CD1 ILE A 38 -6.956 8.625 -0.409 1.00 61.41 C ATOM 0 H ILE A 38 -2.552 10.437 0.014 1.00 53.25 H new ATOM 0 HA ILE A 38 -5.263 10.658 -0.743 1.00 45.41 H new ATOM 0 HB ILE A 38 -4.167 8.506 -0.772 1.00 51.15 H new ATOM 0 HG12 ILE A 38 -5.728 7.143 0.513 1.00 12.14 H new ATOM 0 HG13 ILE A 38 -6.122 8.498 1.551 1.00 12.14 H new ATOM 0 HG21 ILE A 38 -3.354 7.413 1.279 1.00 21.14 H new ATOM 0 HG22 ILE A 38 -2.488 8.934 0.957 1.00 21.14 H new ATOM 0 HG23 ILE A 38 -3.749 8.876 2.212 1.00 21.14 H new ATOM 0 HD11 ILE A 38 -7.879 8.128 -0.111 1.00 61.41 H new ATOM 0 HD12 ILE A 38 -7.097 9.705 -0.371 1.00 61.41 H new ATOM 0 HD13 ILE A 38 -6.696 8.329 -1.425 1.00 61.41 H new ATOM 549 N GLN A 39 -4.527 11.167 2.418 1.00 43.20 N ATOM 550 CA GLN A 39 -5.052 11.653 3.689 1.00 13.44 C ATOM 551 C GLN A 39 -5.961 12.859 3.475 1.00 32.20 C ATOM 552 O GLN A 39 -6.984 13.003 4.146 1.00 11.25 O ATOM 553 CB GLN A 39 -3.906 12.023 4.630 1.00 0.12 C ATOM 554 CG GLN A 39 -4.360 12.752 5.885 1.00 42.30 C ATOM 555 CD GLN A 39 -3.379 12.607 7.032 1.00 12.03 C ATOM 556 OE1 GLN A 39 -2.922 11.505 7.336 1.00 42.30 O ATOM 557 NE2 GLN A 39 -3.052 13.721 7.675 1.00 11.12 N ATOM 0 H GLN A 39 -3.514 11.049 2.398 1.00 43.20 H new ATOM 0 HA GLN A 39 -5.639 10.854 4.141 1.00 13.44 H new ATOM 0 HB2 GLN A 39 -3.377 11.115 4.919 1.00 0.12 H new ATOM 0 HB3 GLN A 39 -3.194 12.650 4.093 1.00 0.12 H new ATOM 0 HG2 GLN A 39 -4.494 13.810 5.658 1.00 42.30 H new ATOM 0 HG3 GLN A 39 -5.332 12.367 6.193 1.00 42.30 H new ATOM 0 HE21 GLN A 39 -3.456 14.613 7.388 1.00 11.12 H new ATOM 0 HE22 GLN A 39 -2.397 13.685 8.456 1.00 11.12 H new ATOM 564 N ASP A 40 -5.581 13.722 2.541 1.00 11.24 N ATOM 565 CA ASP A 40 -6.363 14.916 2.239 1.00 21.31 C ATOM 566 C ASP A 40 -7.576 14.570 1.381 1.00 51.22 C ATOM 567 O ASP A 40 -8.592 15.265 1.413 1.00 41.23 O ATOM 568 CB ASP A 40 -5.496 15.952 1.522 1.00 51.04 C ATOM 569 CG ASP A 40 -6.112 17.337 1.542 1.00 44.23 C ATOM 570 OD1 ASP A 40 -7.027 17.567 2.361 1.00 1.34 O ATOM 571 OD2 ASP A 40 -5.679 18.192 0.740 1.00 52.42 O ATOM 0 H ASP A 40 -4.736 13.618 1.979 1.00 11.24 H new ATOM 0 HA ASP A 40 -6.715 15.336 3.181 1.00 21.31 H new ATOM 0 HB2 ASP A 40 -4.514 15.988 1.993 1.00 51.04 H new ATOM 0 HB3 ASP A 40 -5.343 15.641 0.489 1.00 51.04 H new ATOM 575 N LYS A 41 -7.463 13.490 0.614 1.00 61.41 N ATOM 576 CA LYS A 41 -8.550 13.050 -0.252 1.00 21.04 C ATOM 577 C LYS A 41 -9.679 12.429 0.564 1.00 24.24 C ATOM 578 O LYS A 41 -10.834 12.840 0.453 1.00 0.53 O ATOM 579 CB LYS A 41 -8.033 12.039 -1.279 1.00 11.12 C ATOM 580 CG LYS A 41 -7.699 12.657 -2.626 1.00 33.30 C ATOM 581 CD LYS A 41 -6.211 12.930 -2.761 1.00 44.23 C ATOM 582 CE LYS A 41 -5.880 14.382 -2.451 1.00 44.33 C ATOM 583 NZ LYS A 41 -6.481 15.313 -3.446 1.00 53.43 N ATOM 0 H LYS A 41 -6.629 12.904 0.575 1.00 61.41 H new ATOM 0 HA LYS A 41 -8.941 13.923 -0.775 1.00 21.04 H new ATOM 0 HB2 LYS A 41 -7.142 11.553 -0.881 1.00 11.12 H new ATOM 0 HB3 LYS A 41 -8.784 11.262 -1.421 1.00 11.12 H new ATOM 0 HG2 LYS A 41 -8.021 11.988 -3.424 1.00 33.30 H new ATOM 0 HG3 LYS A 41 -8.253 13.588 -2.748 1.00 33.30 H new ATOM 0 HD2 LYS A 41 -5.658 12.277 -2.086 1.00 44.23 H new ATOM 0 HD3 LYS A 41 -5.886 12.690 -3.773 1.00 44.23 H new ATOM 0 HE2 LYS A 41 -6.243 14.632 -1.454 1.00 44.33 H new ATOM 0 HE3 LYS A 41 -4.798 14.513 -2.438 1.00 44.33 H new ATOM 0 HZ1 LYS A 41 -5.908 16.179 -3.502 1.00 53.43 H new ATOM 0 HZ2 LYS A 41 -6.507 14.854 -4.379 1.00 53.43 H new ATOM 0 HZ3 LYS A 41 -7.449 15.557 -3.153 1.00 53.43 H new ATOM 593 N GLU A 42 -9.337 11.441 1.383 1.00 43.31 N ATOM 594 CA GLU A 42 -10.324 10.765 2.217 1.00 62.24 C ATOM 595 C GLU A 42 -9.914 10.807 3.687 1.00 23.54 C ATOM 596 O GLU A 42 -10.757 10.926 4.575 1.00 40.03 O ATOM 597 CB GLU A 42 -10.498 9.313 1.767 1.00 1.30 C ATOM 598 CG GLU A 42 -9.290 8.437 2.057 1.00 60.33 C ATOM 599 CD GLU A 42 -9.357 7.099 1.347 1.00 4.33 C ATOM 600 OE1 GLU A 42 -10.446 6.744 0.849 1.00 42.51 O ATOM 601 OE2 GLU A 42 -8.318 6.406 1.289 1.00 32.32 O ATOM 0 H GLU A 42 -8.385 11.090 1.487 1.00 43.31 H new ATOM 0 HA GLU A 42 -11.274 11.288 2.106 1.00 62.24 H new ATOM 0 HB2 GLU A 42 -11.371 8.890 2.264 1.00 1.30 H new ATOM 0 HB3 GLU A 42 -10.701 9.295 0.696 1.00 1.30 H new ATOM 0 HG2 GLU A 42 -8.384 8.961 1.752 1.00 60.33 H new ATOM 0 HG3 GLU A 42 -9.216 8.271 3.132 1.00 60.33 H new ATOM 606 N GLY A 43 -8.611 10.708 3.936 1.00 10.54 N ATOM 607 CA GLY A 43 -8.111 10.737 5.297 1.00 11.12 C ATOM 608 C GLY A 43 -8.191 9.382 5.972 1.00 32.20 C ATOM 609 O GLY A 43 -8.493 9.291 7.163 1.00 34.03 O ATOM 0 H GLY A 43 -7.893 10.608 3.218 1.00 10.54 H new ATOM 0 HA2 GLY A 43 -7.075 11.077 5.293 1.00 11.12 H new ATOM 0 HA3 GLY A 43 -8.683 11.462 5.876 1.00 11.12 H new ATOM 613 N ILE A 44 -7.922 8.326 5.211 1.00 65.31 N ATOM 614 CA ILE A 44 -7.965 6.970 5.743 1.00 21.43 C ATOM 615 C ILE A 44 -6.656 6.610 6.438 1.00 73.34 C ATOM 616 O ILE A 44 -5.565 6.903 5.951 1.00 44.40 O ATOM 617 CB ILE A 44 -8.246 5.939 4.634 1.00 65.10 C ATOM 618 CG1 ILE A 44 -9.753 5.745 4.456 1.00 63.42 C ATOM 619 CG2 ILE A 44 -7.570 4.615 4.959 1.00 71.43 C ATOM 620 CD1 ILE A 44 -10.417 5.065 5.633 1.00 32.41 C ATOM 0 H ILE A 44 -7.672 8.384 4.224 1.00 65.31 H new ATOM 0 HA ILE A 44 -8.778 6.941 6.469 1.00 21.43 H new ATOM 0 HB ILE A 44 -7.835 6.314 3.697 1.00 65.10 H new ATOM 0 HG12 ILE A 44 -10.220 6.717 4.297 1.00 63.42 H new ATOM 0 HG13 ILE A 44 -9.932 5.155 3.557 1.00 63.42 H new ATOM 0 HG21 ILE A 44 -7.778 3.896 4.166 1.00 71.43 H new ATOM 0 HG22 ILE A 44 -6.494 4.766 5.039 1.00 71.43 H new ATOM 0 HG23 ILE A 44 -7.954 4.233 5.905 1.00 71.43 H new ATOM 0 HD11 ILE A 44 -11.484 4.960 5.438 1.00 32.41 H new ATOM 0 HD12 ILE A 44 -9.976 4.079 5.779 1.00 32.41 H new ATOM 0 HD13 ILE A 44 -10.269 5.665 6.531 1.00 32.41 H new ATOM 631 N PRO A 45 -6.766 5.957 7.605 1.00 15.31 N ATOM 632 CA PRO A 45 -5.602 5.540 8.391 1.00 43.31 C ATOM 633 C PRO A 45 -4.823 4.412 7.722 1.00 1.24 C ATOM 634 O PRO A 45 -5.305 3.288 7.586 1.00 50.04 O ATOM 635 CB PRO A 45 -6.217 5.057 9.707 1.00 41.12 C ATOM 636 CG PRO A 45 -7.604 4.649 9.350 1.00 35.05 C ATOM 637 CD PRO A 45 -8.035 5.575 8.246 1.00 55.43 C ATOM 0 HA PRO A 45 -4.882 6.349 8.512 1.00 43.31 H new ATOM 0 HB2 PRO A 45 -5.654 4.222 10.124 1.00 41.12 H new ATOM 0 HB3 PRO A 45 -6.218 5.848 10.457 1.00 41.12 H new ATOM 0 HG2 PRO A 45 -7.633 3.610 9.022 1.00 35.05 H new ATOM 0 HG3 PRO A 45 -8.269 4.731 10.210 1.00 35.05 H new ATOM 0 HD2 PRO A 45 -8.706 5.079 7.545 1.00 55.43 H new ATOM 0 HD3 PRO A 45 -8.566 6.444 8.635 1.00 55.43 H new ATOM 642 N PRO A 46 -3.589 4.718 7.291 1.00 35.10 N ATOM 643 CA PRO A 46 -2.719 3.743 6.630 1.00 4.11 C ATOM 644 C PRO A 46 -2.224 2.663 7.586 1.00 22.42 C ATOM 645 O PRO A 46 -1.775 1.600 7.159 1.00 52.31 O ATOM 646 CB PRO A 46 -1.547 4.594 6.132 1.00 33.45 C ATOM 647 CG PRO A 46 -1.520 5.771 7.046 1.00 62.22 C ATOM 648 CD PRO A 46 -2.951 6.039 7.420 1.00 41.02 C ATOM 0 HA PRO A 46 -3.240 3.204 5.839 1.00 4.11 H new ATOM 0 HB2 PRO A 46 -0.609 4.039 6.172 1.00 33.45 H new ATOM 0 HB3 PRO A 46 -1.692 4.900 5.096 1.00 33.45 H new ATOM 0 HG2 PRO A 46 -0.918 5.564 7.931 1.00 62.22 H new ATOM 0 HG3 PRO A 46 -1.077 6.637 6.554 1.00 62.22 H new ATOM 0 HD2 PRO A 46 -3.035 6.429 8.434 1.00 41.02 H new ATOM 0 HD3 PRO A 46 -3.409 6.773 6.757 1.00 41.02 H new ATOM 653 N ASP A 47 -2.309 2.944 8.882 1.00 13.02 N ATOM 654 CA ASP A 47 -1.872 1.996 9.899 1.00 71.33 C ATOM 655 C ASP A 47 -2.616 0.670 9.764 1.00 1.13 C ATOM 656 O ASP A 47 -2.033 -0.399 9.936 1.00 42.34 O ATOM 657 CB ASP A 47 -2.092 2.577 11.297 1.00 54.14 C ATOM 658 CG ASP A 47 -3.440 3.258 11.436 1.00 4.53 C ATOM 659 OD1 ASP A 47 -4.446 2.548 11.639 1.00 73.21 O ATOM 660 OD2 ASP A 47 -3.487 4.502 11.339 1.00 23.30 O ATOM 0 H ASP A 47 -2.676 3.820 9.252 1.00 13.02 H new ATOM 0 HA ASP A 47 -0.808 1.811 9.753 1.00 71.33 H new ATOM 0 HB2 ASP A 47 -2.014 1.779 12.035 1.00 54.14 H new ATOM 0 HB3 ASP A 47 -1.301 3.294 11.518 1.00 54.14 H new ATOM 664 N GLN A 48 -3.906 0.751 9.454 1.00 33.33 N ATOM 665 CA GLN A 48 -4.730 -0.443 9.297 1.00 23.42 C ATOM 666 C GLN A 48 -5.085 -0.669 7.831 1.00 21.50 C ATOM 667 O GLN A 48 -5.476 -1.769 7.441 1.00 35.23 O ATOM 668 CB GLN A 48 -6.006 -0.320 10.131 1.00 2.32 C ATOM 669 CG GLN A 48 -6.735 -1.640 10.323 1.00 62.52 C ATOM 670 CD GLN A 48 -6.142 -2.476 11.440 1.00 53.01 C ATOM 671 OE1 GLN A 48 -6.332 -2.181 12.621 1.00 13.43 O ATOM 672 NE2 GLN A 48 -5.419 -3.527 11.074 1.00 5.50 N ATOM 0 H GLN A 48 -4.403 1.629 9.307 1.00 33.33 H new ATOM 0 HA GLN A 48 -4.156 -1.300 9.649 1.00 23.42 H new ATOM 0 HB2 GLN A 48 -5.754 0.092 11.108 1.00 2.32 H new ATOM 0 HB3 GLN A 48 -6.678 0.390 9.650 1.00 2.32 H new ATOM 0 HG2 GLN A 48 -7.785 -1.443 10.540 1.00 62.52 H new ATOM 0 HG3 GLN A 48 -6.703 -2.207 9.393 1.00 62.52 H new ATOM 0 HE21 GLN A 48 -5.287 -3.735 10.084 1.00 5.50 H new ATOM 0 HE22 GLN A 48 -4.996 -4.126 11.782 1.00 5.50 H new ATOM 679 N GLN A 49 -4.945 0.378 7.024 1.00 74.11 N ATOM 680 CA GLN A 49 -5.253 0.292 5.602 1.00 43.20 C ATOM 681 C GLN A 49 -4.502 -0.865 4.951 1.00 24.51 C ATOM 682 O GLN A 49 -3.463 -1.300 5.448 1.00 74.22 O ATOM 683 CB GLN A 49 -4.898 1.605 4.901 1.00 41.04 C ATOM 684 CG GLN A 49 -5.506 1.739 3.515 1.00 20.11 C ATOM 685 CD GLN A 49 -5.084 3.014 2.813 1.00 1.20 C ATOM 686 OE1 GLN A 49 -5.849 3.976 2.733 1.00 70.45 O ATOM 687 NE2 GLN A 49 -3.860 3.029 2.298 1.00 63.51 N ATOM 0 H GLN A 49 -4.620 1.295 7.331 1.00 74.11 H new ATOM 0 HA GLN A 49 -6.323 0.111 5.498 1.00 43.20 H new ATOM 0 HB2 GLN A 49 -5.234 2.439 5.518 1.00 41.04 H new ATOM 0 HB3 GLN A 49 -3.814 1.683 4.822 1.00 41.04 H new ATOM 0 HG2 GLN A 49 -5.213 0.881 2.909 1.00 20.11 H new ATOM 0 HG3 GLN A 49 -6.593 1.716 3.595 1.00 20.11 H new ATOM 0 HE21 GLN A 49 -3.259 2.210 2.387 1.00 63.51 H new ATOM 0 HE22 GLN A 49 -3.521 3.860 1.813 1.00 63.51 H new ATOM 694 N ARG A 50 -5.035 -1.358 3.838 1.00 52.53 N ATOM 695 CA ARG A 50 -4.415 -2.466 3.121 1.00 15.14 C ATOM 696 C ARG A 50 -3.775 -1.982 1.823 1.00 42.34 C ATOM 697 O ARG A 50 -3.921 -0.821 1.441 1.00 45.41 O ATOM 698 CB ARG A 50 -5.453 -3.549 2.818 1.00 2.24 C ATOM 699 CG ARG A 50 -6.644 -3.044 2.019 1.00 70.33 C ATOM 700 CD ARG A 50 -7.722 -4.109 1.894 1.00 11.41 C ATOM 701 NE ARG A 50 -7.176 -5.391 1.455 1.00 53.12 N ATOM 702 CZ ARG A 50 -7.866 -6.526 1.466 1.00 20.43 C ATOM 703 NH1 ARG A 50 -9.122 -6.538 1.890 1.00 50.02 N ATOM 704 NH2 ARG A 50 -7.300 -7.652 1.051 1.00 1.43 N ATOM 0 H ARG A 50 -5.894 -1.008 3.413 1.00 52.53 H new ATOM 0 HA ARG A 50 -3.635 -2.887 3.756 1.00 15.14 H new ATOM 0 HB2 ARG A 50 -4.972 -4.357 2.266 1.00 2.24 H new ATOM 0 HB3 ARG A 50 -5.809 -3.972 3.757 1.00 2.24 H new ATOM 0 HG2 ARG A 50 -7.059 -2.159 2.502 1.00 70.33 H new ATOM 0 HG3 ARG A 50 -6.315 -2.740 1.026 1.00 70.33 H new ATOM 0 HD2 ARG A 50 -8.219 -4.237 2.856 1.00 11.41 H new ATOM 0 HD3 ARG A 50 -8.480 -3.776 1.185 1.00 11.41 H new ATOM 0 HE ARG A 50 -6.212 -5.416 1.122 1.00 53.12 H new ATOM 0 HH11 ARG A 50 -9.561 -5.674 2.209 1.00 50.02 H new ATOM 0 HH12 ARG A 50 -9.649 -7.411 1.897 1.00 50.02 H new ATOM 0 HH21 ARG A 50 -6.334 -7.647 0.723 1.00 1.43 H new ATOM 0 HH22 ARG A 50 -7.831 -8.523 1.060 1.00 1.43 H new ATOM 715 N LEU A 51 -3.063 -2.881 1.150 1.00 35.35 N ATOM 716 CA LEU A 51 -2.400 -2.547 -0.105 1.00 4.22 C ATOM 717 C LEU A 51 -2.790 -3.528 -1.206 1.00 24.24 C ATOM 718 O LEU A 51 -2.732 -4.743 -1.016 1.00 12.24 O ATOM 719 CB LEU A 51 -0.881 -2.550 0.082 1.00 52.12 C ATOM 720 CG LEU A 51 -0.260 -1.232 0.546 1.00 21.21 C ATOM 721 CD1 LEU A 51 -0.958 -0.723 1.797 1.00 14.15 C ATOM 722 CD2 LEU A 51 1.231 -1.405 0.799 1.00 43.53 C ATOM 0 H LEU A 51 -2.931 -3.846 1.453 1.00 35.35 H new ATOM 0 HA LEU A 51 -2.722 -1.549 -0.403 1.00 4.22 H new ATOM 0 HB2 LEU A 51 -0.626 -3.324 0.806 1.00 52.12 H new ATOM 0 HB3 LEU A 51 -0.419 -2.833 -0.864 1.00 52.12 H new ATOM 0 HG LEU A 51 -0.392 -0.493 -0.244 1.00 21.21 H new ATOM 0 HD11 LEU A 51 -0.502 0.216 2.112 1.00 14.15 H new ATOM 0 HD12 LEU A 51 -2.014 -0.560 1.583 1.00 14.15 H new ATOM 0 HD13 LEU A 51 -0.859 -1.460 2.594 1.00 14.15 H new ATOM 0 HD21 LEU A 51 1.657 -0.457 1.128 1.00 43.53 H new ATOM 0 HD22 LEU A 51 1.384 -2.159 1.571 1.00 43.53 H new ATOM 0 HD23 LEU A 51 1.722 -1.723 -0.121 1.00 43.53 H new ATOM 733 N ILE A 52 -3.184 -2.991 -2.356 1.00 53.14 N ATOM 734 CA ILE A 52 -3.580 -3.821 -3.488 1.00 1.25 C ATOM 735 C ILE A 52 -2.904 -3.355 -4.773 1.00 2.41 C ATOM 736 O ILE A 52 -3.101 -2.223 -5.216 1.00 42.14 O ATOM 737 CB ILE A 52 -5.108 -3.805 -3.690 1.00 65.24 C ATOM 738 CG1 ILE A 52 -5.790 -4.702 -2.656 1.00 63.52 C ATOM 739 CG2 ILE A 52 -5.459 -4.252 -5.101 1.00 10.44 C ATOM 740 CD1 ILE A 52 -5.780 -4.127 -1.257 1.00 50.12 C ATOM 0 H ILE A 52 -3.238 -1.987 -2.529 1.00 53.14 H new ATOM 0 HA ILE A 52 -3.262 -4.839 -3.261 1.00 1.25 H new ATOM 0 HB ILE A 52 -5.468 -2.785 -3.552 1.00 65.24 H new ATOM 0 HG12 ILE A 52 -6.822 -4.875 -2.961 1.00 63.52 H new ATOM 0 HG13 ILE A 52 -5.294 -5.672 -2.645 1.00 63.52 H new ATOM 0 HG21 ILE A 52 -6.541 -4.236 -5.229 1.00 10.44 H new ATOM 0 HG22 ILE A 52 -4.998 -3.577 -5.822 1.00 10.44 H new ATOM 0 HG23 ILE A 52 -5.089 -5.264 -5.264 1.00 10.44 H new ATOM 0 HD11 ILE A 52 -6.280 -4.816 -0.577 1.00 50.12 H new ATOM 0 HD12 ILE A 52 -4.750 -3.980 -0.932 1.00 50.12 H new ATOM 0 HD13 ILE A 52 -6.302 -3.170 -1.253 1.00 50.12 H new ATOM 751 N PHE A 53 -2.108 -4.237 -5.368 1.00 1.40 N ATOM 752 CA PHE A 53 -1.402 -3.917 -6.604 1.00 0.43 C ATOM 753 C PHE A 53 -1.628 -5.001 -7.655 1.00 61.41 C ATOM 754 O PHE A 53 -1.160 -6.130 -7.508 1.00 2.11 O ATOM 755 CB PHE A 53 0.095 -3.756 -6.334 1.00 10.10 C ATOM 756 CG PHE A 53 0.934 -3.777 -7.580 1.00 42.03 C ATOM 757 CD1 PHE A 53 0.554 -3.055 -8.700 1.00 0.30 C ATOM 758 CD2 PHE A 53 2.104 -4.518 -7.631 1.00 30.22 C ATOM 759 CE1 PHE A 53 1.323 -3.073 -9.847 1.00 41.54 C ATOM 760 CE2 PHE A 53 2.878 -4.539 -8.776 1.00 44.44 C ATOM 761 CZ PHE A 53 2.488 -3.815 -9.885 1.00 43.21 C ATOM 0 H PHE A 53 -1.935 -5.178 -5.015 1.00 1.40 H new ATOM 0 HA PHE A 53 -1.798 -2.976 -6.987 1.00 0.43 H new ATOM 0 HB2 PHE A 53 0.262 -2.816 -5.809 1.00 10.10 H new ATOM 0 HB3 PHE A 53 0.424 -4.555 -5.670 1.00 10.10 H new ATOM 0 HD1 PHE A 53 -0.354 -2.471 -8.676 1.00 0.30 H new ATOM 0 HD2 PHE A 53 2.415 -5.086 -6.766 1.00 30.22 H new ATOM 0 HE1 PHE A 53 1.014 -2.508 -10.714 1.00 41.54 H new ATOM 0 HE2 PHE A 53 3.787 -5.121 -8.803 1.00 44.44 H new ATOM 0 HZ PHE A 53 3.092 -3.829 -10.780 1.00 43.21 H new ATOM 770 N ALA A 54 -2.348 -4.648 -8.715 1.00 72.42 N ATOM 771 CA ALA A 54 -2.634 -5.589 -9.791 1.00 73.11 C ATOM 772 C ALA A 54 -3.277 -6.862 -9.250 1.00 42.33 C ATOM 773 O ALA A 54 -3.067 -7.950 -9.786 1.00 30.31 O ATOM 774 CB ALA A 54 -1.361 -5.920 -10.555 1.00 75.11 C ATOM 0 H ALA A 54 -2.744 -3.718 -8.851 1.00 72.42 H new ATOM 0 HA ALA A 54 -3.341 -5.119 -10.474 1.00 73.11 H new ATOM 0 HB1 ALA A 54 -1.590 -6.624 -11.355 1.00 75.11 H new ATOM 0 HB2 ALA A 54 -0.945 -5.007 -10.982 1.00 75.11 H new ATOM 0 HB3 ALA A 54 -0.635 -6.367 -9.876 1.00 75.11 H new ATOM 780 N GLY A 55 -4.059 -6.719 -8.184 1.00 11.55 N ATOM 781 CA GLY A 55 -4.719 -7.867 -7.589 1.00 25.21 C ATOM 782 C GLY A 55 -3.897 -8.497 -6.483 1.00 74.22 C ATOM 783 O GLY A 55 -4.431 -9.209 -5.632 1.00 61.54 O ATOM 0 H GLY A 55 -4.247 -5.829 -7.722 1.00 11.55 H new ATOM 0 HA2 GLY A 55 -5.686 -7.560 -7.190 1.00 25.21 H new ATOM 0 HA3 GLY A 55 -4.915 -8.611 -8.361 1.00 25.21 H new ATOM 787 N LYS A 56 -2.594 -8.239 -6.495 1.00 61.44 N ATOM 788 CA LYS A 56 -1.696 -8.786 -5.485 1.00 72.45 C ATOM 789 C LYS A 56 -1.417 -7.761 -4.391 1.00 50.21 C ATOM 790 O LYS A 56 -0.975 -6.646 -4.672 1.00 75.41 O ATOM 791 CB LYS A 56 -0.381 -9.231 -6.130 1.00 30.44 C ATOM 792 CG LYS A 56 0.341 -10.318 -5.352 1.00 13.21 C ATOM 793 CD LYS A 56 0.115 -11.688 -5.968 1.00 34.23 C ATOM 794 CE LYS A 56 -1.085 -12.387 -5.347 1.00 70.02 C ATOM 795 NZ LYS A 56 -0.826 -12.784 -3.934 1.00 4.22 N ATOM 0 H LYS A 56 -2.136 -7.654 -7.194 1.00 61.44 H new ATOM 0 HA LYS A 56 -2.182 -9.650 -5.032 1.00 72.45 H new ATOM 0 HB2 LYS A 56 -0.584 -9.592 -7.138 1.00 30.44 H new ATOM 0 HB3 LYS A 56 0.277 -8.367 -6.227 1.00 30.44 H new ATOM 0 HG2 LYS A 56 1.409 -10.101 -5.327 1.00 13.21 H new ATOM 0 HG3 LYS A 56 -0.008 -10.320 -4.319 1.00 13.21 H new ATOM 0 HD2 LYS A 56 -0.039 -11.584 -7.042 1.00 34.23 H new ATOM 0 HD3 LYS A 56 1.006 -12.301 -5.831 1.00 34.23 H new ATOM 0 HE2 LYS A 56 -1.951 -11.726 -5.386 1.00 70.02 H new ATOM 0 HE3 LYS A 56 -1.333 -13.272 -5.933 1.00 70.02 H new ATOM 0 HZ1 LYS A 56 -1.472 -13.553 -3.666 1.00 4.22 H new ATOM 0 HZ2 LYS A 56 0.157 -13.109 -3.839 1.00 4.22 H new ATOM 0 HZ3 LYS A 56 -0.982 -11.967 -3.310 1.00 4.22 H new ATOM 805 N GLN A 57 -1.675 -8.145 -3.145 1.00 44.51 N ATOM 806 CA GLN A 57 -1.450 -7.258 -2.010 1.00 4.41 C ATOM 807 C GLN A 57 0.019 -7.261 -1.599 1.00 41.43 C ATOM 808 O GLN A 57 0.748 -8.217 -1.870 1.00 60.43 O ATOM 809 CB GLN A 57 -2.324 -7.678 -0.827 1.00 24.14 C ATOM 810 CG GLN A 57 -1.735 -8.816 -0.009 1.00 71.00 C ATOM 811 CD GLN A 57 -1.480 -10.059 -0.838 1.00 51.54 C ATOM 812 OE1 GLN A 57 -0.342 -10.511 -0.966 1.00 64.40 O ATOM 813 NE2 GLN A 57 -2.540 -10.621 -1.407 1.00 23.15 N ATOM 0 H GLN A 57 -2.040 -9.064 -2.896 1.00 44.51 H new ATOM 0 HA GLN A 57 -1.721 -6.246 -2.312 1.00 4.41 H new ATOM 0 HB2 GLN A 57 -2.479 -6.817 -0.177 1.00 24.14 H new ATOM 0 HB3 GLN A 57 -3.304 -7.978 -1.198 1.00 24.14 H new ATOM 0 HG2 GLN A 57 -0.799 -8.487 0.443 1.00 71.00 H new ATOM 0 HG3 GLN A 57 -2.414 -9.061 0.807 1.00 71.00 H new ATOM 0 HE21 GLN A 57 -3.466 -10.214 -1.275 1.00 23.15 H new ATOM 0 HE22 GLN A 57 -2.429 -11.460 -1.976 1.00 23.15 H new ATOM 820 N LEU A 58 0.447 -6.188 -0.945 1.00 64.54 N ATOM 821 CA LEU A 58 1.830 -6.068 -0.496 1.00 22.43 C ATOM 822 C LEU A 58 1.917 -5.238 0.782 1.00 43.21 C ATOM 823 O LEU A 58 0.899 -4.909 1.389 1.00 23.11 O ATOM 824 CB LEU A 58 2.688 -5.430 -1.590 1.00 60.31 C ATOM 825 CG LEU A 58 2.342 -3.986 -1.959 1.00 64.53 C ATOM 826 CD1 LEU A 58 3.527 -3.309 -2.627 1.00 5.05 C ATOM 827 CD2 LEU A 58 1.120 -3.946 -2.864 1.00 21.32 C ATOM 0 H LEU A 58 -0.143 -5.389 -0.714 1.00 64.54 H new ATOM 0 HA LEU A 58 2.206 -7.069 -0.285 1.00 22.43 H new ATOM 0 HB2 LEU A 58 3.730 -5.463 -1.272 1.00 60.31 H new ATOM 0 HB3 LEU A 58 2.610 -6.042 -2.488 1.00 60.31 H new ATOM 0 HG LEU A 58 2.108 -3.442 -1.044 1.00 64.53 H new ATOM 0 HD11 LEU A 58 3.263 -2.283 -2.883 1.00 5.05 H new ATOM 0 HD12 LEU A 58 4.377 -3.306 -1.944 1.00 5.05 H new ATOM 0 HD13 LEU A 58 3.792 -3.852 -3.534 1.00 5.05 H new ATOM 0 HD21 LEU A 58 0.888 -2.911 -3.117 1.00 21.32 H new ATOM 0 HD22 LEU A 58 1.325 -4.505 -3.777 1.00 21.32 H new ATOM 0 HD23 LEU A 58 0.270 -4.393 -2.348 1.00 21.32 H new ATOM 890 N THR A 63 10.370 2.362 -1.511 1.00 21.01 N ATOM 891 CA THR A 63 9.792 2.962 -2.707 1.00 1.31 C ATOM 892 C THR A 63 9.603 1.923 -3.806 1.00 15.22 C ATOM 893 O THR A 63 9.978 0.761 -3.649 1.00 64.21 O ATOM 894 CB THR A 63 10.674 4.105 -3.243 1.00 21.01 C ATOM 895 OG1 THR A 63 11.956 3.596 -3.628 1.00 31.05 O ATOM 896 CG2 THR A 63 10.848 5.192 -2.194 1.00 21.40 C ATOM 0 HA THR A 63 8.821 3.366 -2.421 1.00 1.31 H new ATOM 0 HB THR A 63 10.180 4.538 -4.113 1.00 21.01 H new ATOM 0 HG1 THR A 63 12.196 3.948 -4.510 1.00 31.05 H new ATOM 0 HG21 THR A 63 11.475 5.988 -2.596 1.00 21.40 H new ATOM 0 HG22 THR A 63 9.873 5.598 -1.926 1.00 21.40 H new ATOM 0 HG23 THR A 63 11.322 4.770 -1.308 1.00 21.40 H new ATOM 904 N LEU A 64 9.017 2.349 -4.921 1.00 53.10 N ATOM 905 CA LEU A 64 8.777 1.455 -6.049 1.00 63.12 C ATOM 906 C LEU A 64 10.091 1.047 -6.709 1.00 21.32 C ATOM 907 O LEU A 64 10.286 -0.117 -7.058 1.00 25.31 O ATOM 908 CB LEU A 64 7.866 2.129 -7.075 1.00 72.50 C ATOM 909 CG LEU A 64 6.727 2.977 -6.506 1.00 14.41 C ATOM 910 CD1 LEU A 64 5.822 3.472 -7.623 1.00 32.14 C ATOM 911 CD2 LEU A 64 5.928 2.180 -5.485 1.00 42.32 C ATOM 0 H LEU A 64 8.700 3.307 -5.068 1.00 53.10 H new ATOM 0 HA LEU A 64 8.287 0.558 -5.672 1.00 63.12 H new ATOM 0 HB2 LEU A 64 8.480 2.763 -7.715 1.00 72.50 H new ATOM 0 HB3 LEU A 64 7.434 1.356 -7.711 1.00 72.50 H new ATOM 0 HG LEU A 64 7.159 3.843 -6.005 1.00 14.41 H new ATOM 0 HD11 LEU A 64 5.017 4.073 -7.200 1.00 32.14 H new ATOM 0 HD12 LEU A 64 6.401 4.079 -8.319 1.00 32.14 H new ATOM 0 HD13 LEU A 64 5.397 2.619 -8.152 1.00 32.14 H new ATOM 0 HD21 LEU A 64 5.122 2.799 -5.091 1.00 42.32 H new ATOM 0 HD22 LEU A 64 5.506 1.296 -5.963 1.00 42.32 H new ATOM 0 HD23 LEU A 64 6.583 1.874 -4.669 1.00 42.32 H new ATOM 922 N SER A 65 10.989 2.013 -6.874 1.00 1.12 N ATOM 923 CA SER A 65 12.284 1.755 -7.494 1.00 55.42 C ATOM 924 C SER A 65 13.112 0.799 -6.641 1.00 22.21 C ATOM 925 O SER A 65 13.883 -0.006 -7.164 1.00 74.24 O ATOM 926 CB SER A 65 13.045 3.066 -7.698 1.00 44.13 C ATOM 927 OG SER A 65 14.277 2.842 -8.363 1.00 72.13 O ATOM 0 H SER A 65 10.844 2.981 -6.587 1.00 1.12 H new ATOM 0 HA SER A 65 12.110 1.290 -8.465 1.00 55.42 H new ATOM 0 HB2 SER A 65 12.435 3.758 -8.279 1.00 44.13 H new ATOM 0 HB3 SER A 65 13.230 3.537 -6.733 1.00 44.13 H new ATOM 0 HG SER A 65 14.744 3.695 -8.483 1.00 72.13 H new ATOM 932 N GLU A 66 12.949 0.896 -5.326 1.00 13.01 N ATOM 933 CA GLU A 66 13.682 0.040 -4.400 1.00 71.11 C ATOM 934 C GLU A 66 13.113 -1.375 -4.400 1.00 42.42 C ATOM 935 O GLU A 66 13.857 -2.354 -4.319 1.00 55.01 O ATOM 936 CB GLU A 66 13.633 0.621 -2.986 1.00 73.32 C ATOM 937 CG GLU A 66 14.422 1.910 -2.829 1.00 24.42 C ATOM 938 CD GLU A 66 15.915 1.705 -3.002 1.00 15.24 C ATOM 939 OE1 GLU A 66 16.562 1.216 -2.053 1.00 33.42 O ATOM 940 OE2 GLU A 66 16.435 2.033 -4.089 1.00 25.43 O ATOM 0 H GLU A 66 12.316 1.558 -4.877 1.00 13.01 H new ATOM 0 HA GLU A 66 14.720 -0.005 -4.731 1.00 71.11 H new ATOM 0 HB2 GLU A 66 12.594 0.806 -2.714 1.00 73.32 H new ATOM 0 HB3 GLU A 66 14.019 -0.119 -2.285 1.00 73.32 H new ATOM 0 HG2 GLU A 66 14.072 2.637 -3.561 1.00 24.42 H new ATOM 0 HG3 GLU A 66 14.229 2.332 -1.843 1.00 24.42 H new ATOM 945 N TYR A 67 11.792 -1.476 -4.492 1.00 64.12 N ATOM 946 CA TYR A 67 11.123 -2.771 -4.499 1.00 12.10 C ATOM 947 C TYR A 67 11.011 -3.318 -5.919 1.00 45.32 C ATOM 948 O TYR A 67 10.439 -4.384 -6.142 1.00 15.10 O ATOM 949 CB TYR A 67 9.731 -2.653 -3.876 1.00 10.43 C ATOM 950 CG TYR A 67 9.608 -3.340 -2.535 1.00 11.53 C ATOM 951 CD1 TYR A 67 9.526 -4.725 -2.447 1.00 31.12 C ATOM 952 CD2 TYR A 67 9.572 -2.606 -1.357 1.00 64.12 C ATOM 953 CE1 TYR A 67 9.412 -5.357 -1.224 1.00 2.00 C ATOM 954 CE2 TYR A 67 9.461 -3.230 -0.129 1.00 13.22 C ATOM 955 CZ TYR A 67 9.381 -4.606 -0.068 1.00 22.33 C ATOM 956 OH TYR A 67 9.268 -5.231 1.153 1.00 11.32 O ATOM 0 H TYR A 67 11.163 -0.676 -4.563 1.00 64.12 H new ATOM 0 HA TYR A 67 11.721 -3.464 -3.907 1.00 12.10 H new ATOM 0 HB2 TYR A 67 9.483 -1.598 -3.759 1.00 10.43 H new ATOM 0 HB3 TYR A 67 8.998 -3.078 -4.561 1.00 10.43 H new ATOM 0 HD1 TYR A 67 9.552 -5.317 -3.350 1.00 31.12 H new ATOM 0 HD2 TYR A 67 9.632 -1.529 -1.401 1.00 64.12 H new ATOM 0 HE1 TYR A 67 9.347 -6.434 -1.173 1.00 2.00 H new ATOM 0 HE2 TYR A 67 9.437 -2.644 0.778 1.00 13.22 H new ATOM 0 HH TYR A 67 9.262 -4.558 1.866 1.00 11.32 H new ATOM 965 N ASN A 68 11.566 -2.581 -6.876 1.00 72.01 N ATOM 966 CA ASN A 68 11.530 -2.991 -8.274 1.00 4.44 C ATOM 967 C ASN A 68 10.102 -3.297 -8.716 1.00 31.41 C ATOM 968 O ASN A 68 9.873 -4.177 -9.546 1.00 34.13 O ATOM 969 CB ASN A 68 12.417 -4.220 -8.490 1.00 14.33 C ATOM 970 CG ASN A 68 13.830 -4.011 -7.981 1.00 33.23 C ATOM 971 OD1 ASN A 68 14.159 -4.393 -6.859 1.00 71.34 O ATOM 972 ND2 ASN A 68 14.672 -3.400 -8.808 1.00 55.34 N ATOM 0 H ASN A 68 12.046 -1.697 -6.708 1.00 72.01 H new ATOM 0 HA ASN A 68 11.909 -2.166 -8.878 1.00 4.44 H new ATOM 0 HB2 ASN A 68 11.974 -5.077 -7.983 1.00 14.33 H new ATOM 0 HB3 ASN A 68 12.449 -4.459 -9.553 1.00 14.33 H new ATOM 0 HD21 ASN A 68 15.636 -3.231 -8.521 1.00 55.34 H new ATOM 0 HD22 ASN A 68 14.354 -3.101 -9.730 1.00 55.34 H new ATOM 978 N ILE A 69 9.146 -2.563 -8.156 1.00 22.43 N ATOM 979 CA ILE A 69 7.741 -2.754 -8.493 1.00 2.03 C ATOM 980 C ILE A 69 7.204 -1.575 -9.297 1.00 12.25 C ATOM 981 O ILE A 69 7.774 -0.484 -9.275 1.00 43.34 O ATOM 982 CB ILE A 69 6.879 -2.934 -7.230 1.00 24.13 C ATOM 983 CG1 ILE A 69 7.199 -1.842 -6.207 1.00 71.21 C ATOM 984 CG2 ILE A 69 7.103 -4.312 -6.628 1.00 45.25 C ATOM 985 CD1 ILE A 69 6.394 -1.954 -4.931 1.00 13.13 C ATOM 0 H ILE A 69 9.319 -1.831 -7.467 1.00 22.43 H new ATOM 0 HA ILE A 69 7.681 -3.660 -9.096 1.00 2.03 H new ATOM 0 HB ILE A 69 5.829 -2.847 -7.510 1.00 24.13 H new ATOM 0 HG12 ILE A 69 8.260 -1.885 -5.962 1.00 71.21 H new ATOM 0 HG13 ILE A 69 7.015 -0.867 -6.659 1.00 71.21 H new ATOM 0 HG21 ILE A 69 6.487 -4.424 -5.736 1.00 45.25 H new ATOM 0 HG22 ILE A 69 6.830 -5.076 -7.356 1.00 45.25 H new ATOM 0 HG23 ILE A 69 8.153 -4.426 -6.360 1.00 45.25 H new ATOM 0 HD11 ILE A 69 6.673 -1.148 -4.253 1.00 13.13 H new ATOM 0 HD12 ILE A 69 5.332 -1.881 -5.163 1.00 13.13 H new ATOM 0 HD13 ILE A 69 6.596 -2.914 -4.456 1.00 13.13 H new ATOM 996 N GLN A 70 6.102 -1.801 -10.006 1.00 43.43 N ATOM 997 CA GLN A 70 5.488 -0.757 -10.816 1.00 54.42 C ATOM 998 C GLN A 70 4.103 -0.399 -10.285 1.00 61.42 C ATOM 999 O GLN A 70 3.086 -0.774 -10.867 1.00 51.14 O ATOM 1000 CB GLN A 70 5.385 -1.208 -12.275 1.00 74.35 C ATOM 1001 CG GLN A 70 4.776 -2.591 -12.443 1.00 33.43 C ATOM 1002 CD GLN A 70 4.877 -3.105 -13.865 1.00 3.40 C ATOM 1003 OE1 GLN A 70 5.285 -2.378 -14.772 1.00 45.45 O ATOM 1004 NE2 GLN A 70 4.505 -4.363 -14.069 1.00 52.32 N ATOM 0 H GLN A 70 5.617 -2.698 -10.035 1.00 43.43 H new ATOM 0 HA GLN A 70 6.120 0.129 -10.760 1.00 54.42 H new ATOM 0 HB2 GLN A 70 4.784 -0.486 -12.828 1.00 74.35 H new ATOM 0 HB3 GLN A 70 6.380 -1.202 -12.720 1.00 74.35 H new ATOM 0 HG2 GLN A 70 5.278 -3.288 -11.772 1.00 33.43 H new ATOM 0 HG3 GLN A 70 3.728 -2.561 -12.145 1.00 33.43 H new ATOM 0 HE21 GLN A 70 4.173 -4.930 -13.288 1.00 52.32 H new ATOM 0 HE22 GLN A 70 4.551 -4.763 -15.006 1.00 52.32 H new ATOM 1011 N LYS A 71 4.073 0.329 -9.173 1.00 21.12 N ATOM 1012 CA LYS A 71 2.814 0.739 -8.562 1.00 31.01 C ATOM 1013 C LYS A 71 2.374 2.102 -9.087 1.00 72.41 C ATOM 1014 O LYS A 71 1.495 2.743 -8.511 1.00 33.11 O ATOM 1015 CB LYS A 71 2.956 0.788 -7.039 1.00 60.42 C ATOM 1016 CG LYS A 71 2.957 -0.582 -6.384 1.00 44.45 C ATOM 1017 CD LYS A 71 3.516 -0.525 -4.971 1.00 1.22 C ATOM 1018 CE LYS A 71 2.463 -0.066 -3.975 1.00 2.13 C ATOM 1019 NZ LYS A 71 2.233 1.404 -4.049 1.00 72.44 N ATOM 0 H LYS A 71 4.906 0.647 -8.677 1.00 21.12 H new ATOM 0 HA LYS A 71 2.053 0.005 -8.826 1.00 31.01 H new ATOM 0 HB2 LYS A 71 3.882 1.303 -6.785 1.00 60.42 H new ATOM 0 HB3 LYS A 71 2.139 1.379 -6.625 1.00 60.42 H new ATOM 0 HG2 LYS A 71 1.941 -0.975 -6.358 1.00 44.45 H new ATOM 0 HG3 LYS A 71 3.550 -1.272 -6.983 1.00 44.45 H new ATOM 0 HD2 LYS A 71 3.885 -1.510 -4.684 1.00 1.22 H new ATOM 0 HD3 LYS A 71 4.367 0.155 -4.942 1.00 1.22 H new ATOM 0 HE2 LYS A 71 1.527 -0.590 -4.168 1.00 2.13 H new ATOM 0 HE3 LYS A 71 2.776 -0.334 -2.966 1.00 2.13 H new ATOM 0 HZ1 LYS A 71 1.867 1.744 -3.137 1.00 72.44 H new ATOM 0 HZ2 LYS A 71 3.130 1.885 -4.263 1.00 72.44 H new ATOM 0 HZ3 LYS A 71 1.542 1.610 -4.798 1.00 72.44 H new ATOM 1029 N GLU A 72 2.989 2.537 -10.181 1.00 65.41 N ATOM 1030 CA GLU A 72 2.659 3.825 -10.782 1.00 13.21 C ATOM 1031 C GLU A 72 1.633 3.656 -11.899 1.00 22.41 C ATOM 1032 O GLU A 72 1.582 4.454 -12.834 1.00 0.11 O ATOM 1033 CB GLU A 72 3.921 4.496 -11.330 1.00 54.15 C ATOM 1034 CG GLU A 72 4.539 3.761 -12.507 1.00 55.41 C ATOM 1035 CD GLU A 72 5.665 4.540 -13.156 1.00 24.54 C ATOM 1036 OE1 GLU A 72 5.376 5.375 -14.039 1.00 70.21 O ATOM 1037 OE2 GLU A 72 6.834 4.317 -12.781 1.00 63.02 O ATOM 0 H GLU A 72 3.718 2.018 -10.670 1.00 65.41 H new ATOM 0 HA GLU A 72 2.227 4.459 -10.008 1.00 13.21 H new ATOM 0 HB2 GLU A 72 3.678 5.514 -11.635 1.00 54.15 H new ATOM 0 HB3 GLU A 72 4.659 4.571 -10.531 1.00 54.15 H new ATOM 0 HG2 GLU A 72 4.917 2.796 -12.170 1.00 55.41 H new ATOM 0 HG3 GLU A 72 3.767 3.559 -13.250 1.00 55.41 H new ATOM 1042 N SER A 73 0.818 2.611 -11.793 1.00 2.14 N ATOM 1043 CA SER A 73 -0.203 2.334 -12.796 1.00 33.22 C ATOM 1044 C SER A 73 -1.595 2.342 -12.170 1.00 30.45 C ATOM 1045 O SER A 73 -2.339 3.316 -12.295 1.00 22.44 O ATOM 1046 CB SER A 73 0.060 0.983 -13.464 1.00 74.52 C ATOM 1047 OG SER A 73 -1.037 0.590 -14.270 1.00 32.52 O ATOM 0 H SER A 73 0.845 1.943 -11.023 1.00 2.14 H new ATOM 0 HA SER A 73 -0.158 3.119 -13.551 1.00 33.22 H new ATOM 0 HB2 SER A 73 0.960 1.045 -14.075 1.00 74.52 H new ATOM 0 HB3 SER A 73 0.244 0.226 -12.701 1.00 74.52 H new ATOM 0 HG SER A 73 -1.789 0.333 -13.696 1.00 32.52 H new ATOM 1052 N THR A 74 -1.940 1.250 -11.496 1.00 15.03 N ATOM 1053 CA THR A 74 -3.243 1.130 -10.852 1.00 2.12 C ATOM 1054 C THR A 74 -3.109 0.558 -9.446 1.00 63.33 C ATOM 1055 O THR A 74 -2.788 -0.618 -9.270 1.00 71.13 O ATOM 1056 CB THR A 74 -4.193 0.236 -11.669 1.00 73.04 C ATOM 1057 OG1 THR A 74 -3.710 0.104 -13.010 1.00 54.33 O ATOM 1058 CG2 THR A 74 -5.600 0.814 -11.686 1.00 1.54 C ATOM 0 H THR A 74 -1.336 0.436 -11.382 1.00 15.03 H new ATOM 0 HA THR A 74 -3.662 2.135 -10.795 1.00 2.12 H new ATOM 0 HB THR A 74 -4.227 -0.746 -11.197 1.00 73.04 H new ATOM 0 HG1 THR A 74 -4.319 -0.468 -13.522 1.00 54.33 H new ATOM 0 HG21 THR A 74 -6.253 0.165 -12.269 1.00 1.54 H new ATOM 0 HG22 THR A 74 -5.977 0.885 -10.666 1.00 1.54 H new ATOM 0 HG23 THR A 74 -5.580 1.807 -12.135 1.00 1.54 H new ATOM 1066 N LEU A 75 -3.357 1.396 -8.445 1.00 35.21 N ATOM 1067 CA LEU A 75 -3.265 0.974 -7.052 1.00 34.40 C ATOM 1068 C LEU A 75 -4.517 1.374 -6.278 1.00 41.02 C ATOM 1069 O LEU A 75 -5.094 2.435 -6.516 1.00 23.52 O ATOM 1070 CB LEU A 75 -2.027 1.585 -6.394 1.00 71.33 C ATOM 1071 CG LEU A 75 -0.838 0.645 -6.199 1.00 64.52 C ATOM 1072 CD1 LEU A 75 -1.054 -0.245 -4.984 1.00 73.34 C ATOM 1073 CD2 LEU A 75 -0.612 -0.197 -7.446 1.00 70.30 C ATOM 0 H LEU A 75 -3.623 2.372 -8.573 1.00 35.21 H new ATOM 0 HA LEU A 75 -3.180 -0.112 -7.032 1.00 34.40 H new ATOM 0 HB2 LEU A 75 -1.700 2.432 -6.998 1.00 71.33 H new ATOM 0 HB3 LEU A 75 -2.316 1.980 -5.420 1.00 71.33 H new ATOM 0 HG LEU A 75 0.053 1.249 -6.027 1.00 64.52 H new ATOM 0 HD11 LEU A 75 -0.197 -0.907 -4.861 1.00 73.34 H new ATOM 0 HD12 LEU A 75 -1.164 0.375 -4.094 1.00 73.34 H new ATOM 0 HD13 LEU A 75 -1.956 -0.841 -5.125 1.00 73.34 H new ATOM 0 HD21 LEU A 75 0.239 -0.860 -7.288 1.00 70.30 H new ATOM 0 HD22 LEU A 75 -1.503 -0.792 -7.650 1.00 70.30 H new ATOM 0 HD23 LEU A 75 -0.410 0.457 -8.295 1.00 70.30 H new ATOM 1084 N HIS A 76 -4.931 0.519 -5.348 1.00 43.23 N ATOM 1085 CA HIS A 76 -6.112 0.784 -4.536 1.00 75.10 C ATOM 1086 C HIS A 76 -5.846 0.466 -3.069 1.00 63.54 C ATOM 1087 O HIS A 76 -5.711 -0.699 -2.689 1.00 21.14 O ATOM 1088 CB HIS A 76 -7.299 -0.038 -5.040 1.00 3.24 C ATOM 1089 CG HIS A 76 -8.318 -0.332 -3.983 1.00 65.24 C ATOM 1090 ND1 HIS A 76 -8.957 -1.548 -3.871 1.00 52.11 N ATOM 1091 CD2 HIS A 76 -8.804 0.441 -2.983 1.00 1.11 C ATOM 1092 CE1 HIS A 76 -9.795 -1.510 -2.850 1.00 40.35 C ATOM 1093 NE2 HIS A 76 -9.721 -0.315 -2.294 1.00 1.42 N ATOM 0 H HIS A 76 -4.465 -0.364 -5.138 1.00 43.23 H new ATOM 0 HA HIS A 76 -6.350 1.844 -4.622 1.00 75.10 H new ATOM 0 HB2 HIS A 76 -7.781 0.499 -5.858 1.00 3.24 H new ATOM 0 HB3 HIS A 76 -6.931 -0.979 -5.449 1.00 3.24 H new ATOM 0 HD1 HIS A 76 -8.807 -2.352 -4.481 1.00 52.11 H new ATOM 0 HD2 HIS A 76 -8.523 1.461 -2.767 1.00 1.11 H new ATOM 0 HE1 HIS A 76 -10.432 -2.319 -2.525 1.00 40.35 H new ATOM 1100 N LEU A 77 -5.771 1.507 -2.246 1.00 43.33 N ATOM 1101 CA LEU A 77 -5.519 1.339 -0.819 1.00 13.00 C ATOM 1102 C LEU A 77 -6.537 2.117 0.008 1.00 72.02 C ATOM 1103 O LEU A 77 -6.347 3.298 0.297 1.00 21.41 O ATOM 1104 CB LEU A 77 -4.103 1.802 -0.472 1.00 12.42 C ATOM 1105 CG LEU A 77 -3.088 1.770 -1.615 1.00 1.35 C ATOM 1106 CD1 LEU A 77 -3.172 3.045 -2.440 1.00 63.40 C ATOM 1107 CD2 LEU A 77 -1.680 1.575 -1.074 1.00 61.34 C ATOM 0 H LEU A 77 -5.881 2.477 -2.543 1.00 43.33 H new ATOM 0 HA LEU A 77 -5.616 0.280 -0.580 1.00 13.00 H new ATOM 0 HB2 LEU A 77 -4.159 2.822 -0.091 1.00 12.42 H new ATOM 0 HB3 LEU A 77 -3.727 1.178 0.339 1.00 12.42 H new ATOM 0 HG LEU A 77 -3.327 0.926 -2.262 1.00 1.35 H new ATOM 0 HD11 LEU A 77 -2.442 3.004 -3.249 1.00 63.40 H new ATOM 0 HD12 LEU A 77 -4.173 3.142 -2.859 1.00 63.40 H new ATOM 0 HD13 LEU A 77 -2.961 3.905 -1.804 1.00 63.40 H new ATOM 0 HD21 LEU A 77 -0.972 1.555 -1.902 1.00 61.34 H new ATOM 0 HD22 LEU A 77 -1.431 2.397 -0.403 1.00 61.34 H new ATOM 0 HD23 LEU A 77 -1.627 0.633 -0.528 1.00 61.34 H new ATOM 1118 N VAL A 78 -7.620 1.445 0.389 1.00 41.03 N ATOM 1119 CA VAL A 78 -8.667 2.072 1.187 1.00 20.21 C ATOM 1120 C VAL A 78 -9.352 1.054 2.092 1.00 1.34 C ATOM 1121 O VAL A 78 -9.810 0.007 1.631 1.00 32.41 O ATOM 1122 CB VAL A 78 -9.727 2.744 0.294 1.00 44.13 C ATOM 1123 CG1 VAL A 78 -10.634 3.639 1.123 1.00 1.13 C ATOM 1124 CG2 VAL A 78 -9.059 3.534 -0.822 1.00 42.03 C ATOM 0 H VAL A 78 -7.795 0.467 0.158 1.00 41.03 H new ATOM 0 HA VAL A 78 -8.185 2.833 1.801 1.00 20.21 H new ATOM 0 HB VAL A 78 -10.341 1.966 -0.160 1.00 44.13 H new ATOM 0 HG11 VAL A 78 -11.376 4.105 0.475 1.00 1.13 H new ATOM 0 HG12 VAL A 78 -11.139 3.042 1.882 1.00 1.13 H new ATOM 0 HG13 VAL A 78 -10.038 4.413 1.607 1.00 1.13 H new ATOM 0 HG21 VAL A 78 -9.822 4.002 -1.443 1.00 42.03 H new ATOM 0 HG22 VAL A 78 -8.420 4.304 -0.390 1.00 42.03 H new ATOM 0 HG23 VAL A 78 -8.456 2.862 -1.433 1.00 42.03 H new ATOM 1134 N LEU A 79 -9.420 1.367 3.381 1.00 1.14 N ATOM 1135 CA LEU A 79 -10.050 0.480 4.352 1.00 34.10 C ATOM 1136 C LEU A 79 -11.287 1.132 4.963 1.00 53.40 C ATOM 1137 O LEU A 79 -11.185 2.122 5.687 1.00 42.34 O ATOM 1138 CB LEU A 79 -9.058 0.111 5.455 1.00 44.13 C ATOM 1139 CG LEU A 79 -9.500 -0.995 6.414 1.00 52.52 C ATOM 1140 CD1 LEU A 79 -9.918 -2.237 5.641 1.00 25.52 C ATOM 1141 CD2 LEU A 79 -8.387 -1.326 7.397 1.00 3.22 C ATOM 0 H LEU A 79 -9.046 2.229 3.778 1.00 1.14 H new ATOM 0 HA LEU A 79 -10.359 -0.427 3.831 1.00 34.10 H new ATOM 0 HB2 LEU A 79 -8.122 -0.194 4.987 1.00 44.13 H new ATOM 0 HB3 LEU A 79 -8.845 1.007 6.039 1.00 44.13 H new ATOM 0 HG LEU A 79 -10.361 -0.637 6.978 1.00 52.52 H new ATOM 0 HD11 LEU A 79 -10.229 -3.013 6.340 1.00 25.52 H new ATOM 0 HD12 LEU A 79 -10.748 -1.991 4.979 1.00 25.52 H new ATOM 0 HD13 LEU A 79 -9.077 -2.598 5.050 1.00 25.52 H new ATOM 0 HD21 LEU A 79 -8.720 -2.115 8.071 1.00 3.22 H new ATOM 0 HD22 LEU A 79 -7.507 -1.664 6.850 1.00 3.22 H new ATOM 0 HD23 LEU A 79 -8.136 -0.437 7.975 1.00 3.22 H new ATOM 1152 N ARG A 80 -12.454 0.568 4.667 1.00 2.33 N ATOM 1153 CA ARG A 80 -13.710 1.094 5.188 1.00 2.32 C ATOM 1154 C ARG A 80 -13.798 2.602 4.973 1.00 15.14 C ATOM 1155 O ARG A 80 -13.819 3.376 5.931 1.00 44.11 O ATOM 1156 CB ARG A 80 -13.844 0.771 6.676 1.00 73.14 C ATOM 1157 CG ARG A 80 -15.243 1.000 7.226 1.00 11.44 C ATOM 1158 CD ARG A 80 -15.630 -0.073 8.230 1.00 52.33 C ATOM 1159 NE ARG A 80 -17.073 -0.294 8.267 1.00 32.31 N ATOM 1160 CZ ARG A 80 -17.656 -1.222 9.018 1.00 63.02 C ATOM 1161 NH1 ARG A 80 -16.922 -2.012 9.790 1.00 14.20 N ATOM 1162 NH2 ARG A 80 -18.976 -1.361 8.998 1.00 43.52 N ATOM 0 H ARG A 80 -12.555 -0.252 4.070 1.00 2.33 H new ATOM 0 HA ARG A 80 -14.527 0.619 4.646 1.00 2.32 H new ATOM 0 HB2 ARG A 80 -13.564 -0.270 6.840 1.00 73.14 H new ATOM 0 HB3 ARG A 80 -13.138 1.383 7.237 1.00 73.14 H new ATOM 0 HG2 ARG A 80 -15.292 1.979 7.702 1.00 11.44 H new ATOM 0 HG3 ARG A 80 -15.961 1.008 6.406 1.00 11.44 H new ATOM 0 HD2 ARG A 80 -15.127 -1.006 7.975 1.00 52.33 H new ATOM 0 HD3 ARG A 80 -15.282 0.216 9.222 1.00 52.33 H new ATOM 0 HE ARG A 80 -17.666 0.297 7.684 1.00 32.31 H new ATOM 0 HH11 ARG A 80 -15.907 -1.908 9.808 1.00 14.20 H new ATOM 0 HH12 ARG A 80 -17.372 -2.724 10.366 1.00 14.20 H new ATOM 0 HH21 ARG A 80 -19.544 -0.755 8.406 1.00 43.52 H new ATOM 0 HH22 ARG A 80 -19.423 -2.074 9.575 1.00 43.52 H new ATOM 1173 N LEU A 81 -13.851 3.013 3.711 1.00 23.30 N ATOM 1174 CA LEU A 81 -13.936 4.429 3.371 1.00 11.34 C ATOM 1175 C LEU A 81 -15.065 5.107 4.141 1.00 43.00 C ATOM 1176 O LEU A 81 -15.885 4.441 4.773 1.00 22.34 O ATOM 1177 CB LEU A 81 -14.156 4.600 1.866 1.00 71.15 C ATOM 1178 CG LEU A 81 -15.558 4.271 1.351 1.00 21.13 C ATOM 1179 CD1 LEU A 81 -16.065 2.978 1.970 1.00 61.43 C ATOM 1180 CD2 LEU A 81 -16.515 5.417 1.646 1.00 32.30 C ATOM 0 H LEU A 81 -13.837 2.386 2.906 1.00 23.30 H new ATOM 0 HA LEU A 81 -12.995 4.902 3.651 1.00 11.34 H new ATOM 0 HB2 LEU A 81 -13.926 5.632 1.600 1.00 71.15 H new ATOM 0 HB3 LEU A 81 -13.440 3.968 1.340 1.00 71.15 H new ATOM 0 HG LEU A 81 -15.506 4.135 0.271 1.00 21.13 H new ATOM 0 HD11 LEU A 81 -17.064 2.761 1.592 1.00 61.43 H new ATOM 0 HD12 LEU A 81 -15.392 2.161 1.709 1.00 61.43 H new ATOM 0 HD13 LEU A 81 -16.103 3.084 3.054 1.00 61.43 H new ATOM 0 HD21 LEU A 81 -17.508 5.167 1.273 1.00 32.30 H new ATOM 0 HD22 LEU A 81 -16.563 5.583 2.722 1.00 32.30 H new ATOM 0 HD23 LEU A 81 -16.160 6.323 1.154 1.00 32.30 H new