USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 627 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Set 2.1: A 7 THR OG1 : rot -51:sc= 0.00386 USER MOD Set 2.2: A 9 THR OG1 : rot -176:sc= -1.25 USER MOD Single : A 1 MET CE :methyl 171:sc=-0.00468 (180deg=-0.186) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.12 (180deg=0.819) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0362 F(o=-1.7!,f=-0.036) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 0.156 (180deg=0.0422) USER MOD Single : A 11 LYS NZ :NH3+ -113:sc= -0.192 (180deg=-2.24!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -137:sc= 1.24 (180deg=-1.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -3.07 K(o=-3.1,f=-8.3!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc=-0.00422 (180deg=-0.18) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0967 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= -0.4 USER MOD Single : A 60 ASN : amide:sc= -0.0485 X(o=-0.049,f=-0.13) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0475) USER MOD Single : A 65 SER OG : rot 101:sc= 0.0221 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.868 24.653 2.820 1.00 49.53 N ATOM 2 CA MET A 1 25.768 25.597 3.085 1.00 50.07 C ATOM 3 C MET A 1 26.325 26.927 3.648 1.00 50.51 C ATOM 4 O MET A 1 27.491 26.964 4.038 1.00 49.49 O ATOM 5 CB MET A 1 24.764 24.985 4.059 1.00 49.82 C ATOM 6 CG MET A 1 23.981 23.805 3.500 1.00 49.86 C ATOM 7 SD MET A 1 23.165 22.839 4.785 1.00 49.91 S ATOM 8 CE MET A 1 22.504 21.482 3.820 1.00 49.78 C ATOM 0 H1 MET A 1 26.504 23.836 2.289 1.00 49.53 H new ATOM 0 H2 MET A 1 27.606 25.128 2.262 1.00 49.53 H new ATOM 0 H3 MET A 1 27.271 24.328 3.722 1.00 49.53 H new ATOM 0 HA MET A 1 25.255 25.805 2.146 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.296 24.661 4.953 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.060 25.758 4.369 1.00 49.82 H new ATOM 0 HG2 MET A 1 23.233 24.171 2.797 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.657 23.159 2.939 1.00 49.86 H new ATOM 0 HE1 MET A 1 22.110 20.718 4.490 1.00 49.78 H new ATOM 0 HE2 MET A 1 21.704 21.849 3.177 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.296 21.053 3.206 1.00 49.78 H new ATOM 18 N GLN A 2 25.467 27.904 3.656 1.00 49.53 N ATOM 19 CA GLN A 2 25.882 29.228 4.215 1.00 50.07 C ATOM 20 C GLN A 2 25.285 29.502 5.587 1.00 50.51 C ATOM 21 O GLN A 2 24.044 29.635 5.779 1.00 49.49 O ATOM 22 CB GLN A 2 25.488 30.354 3.255 1.00 49.82 C ATOM 23 CG GLN A 2 26.089 30.225 1.866 1.00 49.82 C ATOM 24 CD GLN A 2 25.402 31.123 0.853 1.00 50.55 C ATOM 25 OE1 GLN A 2 24.460 31.932 1.323 1.00 49.45 O flip ATOM 26 NE2 GLN A 2 25.718 31.092 -0.340 1.00 49.38 N flip ATOM 0 H GLN A 2 24.510 27.852 3.307 1.00 49.53 H new ATOM 0 HA GLN A 2 26.965 29.193 4.330 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.402 30.379 3.168 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.795 31.307 3.685 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.150 30.473 1.907 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.017 29.188 1.537 1.00 49.82 H new ATOM 0 HE21 GLN A 2 26.448 30.454 -0.658 1.00 49.38 H new ATOM 0 HE22 GLN A 2 25.249 31.704 -1.008 1.00 49.38 H new ATOM 35 N ILE A 3 26.156 29.532 6.584 1.00 49.53 N ATOM 36 CA ILE A 3 25.741 29.931 7.942 1.00 50.07 C ATOM 37 C ILE A 3 26.411 31.260 8.399 1.00 50.51 C ATOM 38 O ILE A 3 27.576 31.411 8.072 1.00 49.49 O ATOM 39 CB ILE A 3 26.061 28.831 8.971 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.569 28.573 9.026 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.310 27.551 8.632 1.00 49.73 C ATOM 42 CD1 ILE A 3 27.991 27.659 10.153 1.00 49.73 C ATOM 0 H ILE A 3 27.143 29.291 6.493 1.00 49.53 H new ATOM 0 HA ILE A 3 24.663 30.085 7.894 1.00 50.07 H new ATOM 0 HB ILE A 3 25.735 29.170 9.954 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.888 28.138 8.079 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.088 29.526 9.130 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.547 26.784 9.369 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.237 27.745 8.643 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.607 27.207 7.641 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.072 27.524 10.126 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.704 28.101 11.107 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.502 26.692 10.040 1.00 49.73 H new ATOM 54 N PHE A 4 25.602 32.056 9.057 1.00 49.53 N ATOM 55 CA PHE A 4 26.168 33.368 9.552 1.00 50.07 C ATOM 56 C PHE A 4 26.613 33.280 10.985 1.00 50.51 C ATOM 57 O PHE A 4 25.913 32.583 11.734 1.00 49.49 O ATOM 58 CB PHE A 4 25.136 34.486 9.392 1.00 49.82 C ATOM 59 CG PHE A 4 24.647 34.661 7.982 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.454 35.247 7.019 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.377 34.238 7.615 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.005 35.410 5.723 1.00 49.88 C ATOM 63 CE2 PHE A 4 22.927 34.399 6.319 1.00 49.88 C ATOM 64 CZ PHE A 4 23.740 34.985 5.372 1.00 49.88 C ATOM 0 H PHE A 4 24.621 31.875 9.269 1.00 49.53 H new ATOM 0 HA PHE A 4 27.044 33.595 8.945 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.284 34.277 10.039 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.574 35.424 9.734 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.446 35.580 7.285 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.734 33.778 8.351 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.644 35.870 4.984 1.00 49.88 H new ATOM 0 HE2 PHE A 4 21.937 34.065 6.047 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.388 35.111 4.359 1.00 49.88 H new ATOM 74 N VAL A 5 27.669 33.965 11.414 1.00 49.53 N ATOM 75 CA VAL A 5 28.067 33.971 12.807 1.00 50.07 C ATOM 76 C VAL A 5 28.395 35.379 13.360 1.00 50.51 C ATOM 77 O VAL A 5 29.467 35.833 12.940 1.00 49.49 O ATOM 78 CB VAL A 5 29.284 33.056 13.039 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.787 33.191 14.468 1.00 49.73 C ATOM 80 CG2 VAL A 5 28.927 31.608 12.736 1.00 49.73 C ATOM 0 H VAL A 5 28.266 34.526 10.806 1.00 49.53 H new ATOM 0 HA VAL A 5 27.198 33.599 13.349 1.00 50.07 H new ATOM 0 HB VAL A 5 30.081 33.364 12.362 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.647 32.538 14.614 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.080 34.224 14.654 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.995 32.908 15.161 1.00 49.73 H new ATOM 0 HG21 VAL A 5 29.798 30.975 12.905 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.115 31.289 13.389 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.612 31.521 11.696 1.00 49.73 H new ATOM 90 N LYS A 6 27.527 35.923 14.139 1.00 49.53 N ATOM 91 CA LYS A 6 27.754 37.307 14.683 1.00 50.07 C ATOM 92 C LYS A 6 28.454 37.509 15.998 1.00 50.51 C ATOM 93 O LYS A 6 28.217 36.750 16.966 1.00 49.49 O ATOM 94 CB LYS A 6 26.413 38.042 14.739 1.00 49.82 C ATOM 95 CG LYS A 6 26.496 39.459 15.290 1.00 49.82 C ATOM 96 CD LYS A 6 25.114 40.076 15.440 1.00 49.82 C ATOM 97 CE LYS A 6 25.194 41.481 16.021 1.00 50.21 C ATOM 98 NZ LYS A 6 25.609 41.469 17.450 1.00 49.70 N ATOM 0 H LYS A 6 26.657 35.480 14.436 1.00 49.53 H new ATOM 0 HA LYS A 6 28.480 37.702 13.972 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.991 38.080 13.735 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.722 37.466 15.354 1.00 49.82 H new ATOM 0 HG2 LYS A 6 26.998 39.446 16.258 1.00 49.82 H new ATOM 0 HG3 LYS A 6 27.101 40.075 14.625 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.621 40.110 14.468 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.501 39.448 16.086 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.903 42.073 15.442 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.223 41.967 15.929 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 25.441 42.406 17.868 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 25.056 40.755 17.966 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 26.621 41.237 17.516 1.00 49.70 H new ATOM 112 N THR A 7 29.333 38.534 16.078 1.00 49.53 N ATOM 113 CA THR A 7 30.054 38.792 17.334 1.00 50.07 C ATOM 114 C THR A 7 29.699 40.110 18.026 1.00 50.51 C ATOM 115 O THR A 7 28.752 40.759 17.574 1.00 49.49 O ATOM 116 CB THR A 7 31.578 38.760 17.110 1.00 50.14 C ATOM 117 OG1 THR A 7 31.981 39.927 16.380 1.00 49.34 O ATOM 118 CG2 THR A 7 31.975 37.516 16.328 1.00 49.73 C ATOM 0 H THR A 7 29.552 39.173 15.314 1.00 49.53 H new ATOM 0 HA THR A 7 29.731 37.988 17.995 1.00 50.07 H new ATOM 0 HB THR A 7 32.073 38.741 18.081 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.420 40.024 15.583 1.00 49.34 H new ATOM 0 HG21 THR A 7 33.055 37.509 16.179 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.680 36.627 16.885 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.475 37.520 15.360 1.00 49.73 H new ATOM 126 N LEU A 8 30.457 40.509 19.024 1.00 49.53 N ATOM 127 CA LEU A 8 30.150 41.749 19.771 1.00 50.07 C ATOM 128 C LEU A 8 31.145 42.844 19.439 1.00 50.51 C ATOM 129 O LEU A 8 31.109 43.918 20.069 1.00 49.49 O ATOM 130 CB LEU A 8 30.142 41.472 21.279 1.00 49.82 C ATOM 131 CG LEU A 8 29.079 40.474 21.754 1.00 49.91 C ATOM 132 CD1 LEU A 8 29.239 40.210 23.245 1.00 49.73 C ATOM 133 CD2 LEU A 8 27.693 41.024 21.450 1.00 49.73 C ATOM 0 H LEU A 8 31.286 40.011 19.349 1.00 49.53 H new ATOM 0 HA LEU A 8 29.159 42.091 19.471 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.124 41.098 21.569 1.00 49.82 H new ATOM 0 HB3 LEU A 8 29.993 42.415 21.805 1.00 49.82 H new ATOM 0 HG LEU A 8 29.206 39.529 21.225 1.00 49.91 H new ATOM 0 HD11 LEU A 8 28.479 39.500 23.572 1.00 49.73 H new ATOM 0 HD12 LEU A 8 30.229 39.796 23.437 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.123 41.144 23.794 1.00 49.73 H new ATOM 0 HD21 LEU A 8 26.938 40.314 21.788 1.00 49.73 H new ATOM 0 HD22 LEU A 8 27.557 41.973 21.968 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.591 41.179 20.376 1.00 49.73 H new ATOM 145 N THR A 9 32.019 42.615 18.440 1.00 49.53 N ATOM 146 CA THR A 9 32.983 43.729 18.149 1.00 50.07 C ATOM 147 C THR A 9 32.267 44.505 17.087 1.00 50.51 C ATOM 148 O THR A 9 32.648 45.637 16.733 1.00 49.49 O ATOM 149 CB THR A 9 34.340 43.221 17.627 1.00 50.14 C ATOM 150 OG1 THR A 9 34.141 42.461 16.429 1.00 49.34 O ATOM 151 CG2 THR A 9 35.020 42.349 18.671 1.00 49.73 C ATOM 0 H THR A 9 32.092 41.773 17.869 1.00 49.53 H new ATOM 0 HA THR A 9 33.232 44.306 19.040 1.00 50.07 H new ATOM 0 HB THR A 9 34.976 44.081 17.417 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.997 42.087 16.133 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.977 41.999 18.285 1.00 49.73 H new ATOM 0 HG22 THR A 9 35.185 42.930 19.579 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.386 41.492 18.899 1.00 49.73 H new ATOM 159 N GLY A 10 31.260 43.941 16.495 1.00 49.53 N ATOM 160 CA GLY A 10 30.478 44.574 15.457 1.00 49.98 C ATOM 161 C GLY A 10 30.815 43.977 14.123 1.00 50.51 C ATOM 162 O GLY A 10 30.419 44.517 13.069 1.00 49.49 O ATOM 0 H GLY A 10 30.943 42.998 16.722 1.00 49.53 H new ATOM 0 HA2 GLY A 10 29.415 44.447 15.663 1.00 49.98 H new ATOM 0 HA3 GLY A 10 30.675 45.646 15.445 1.00 49.98 H new ATOM 166 N LYS A 11 31.547 42.892 14.142 1.00 49.53 N ATOM 167 CA LYS A 11 31.865 42.141 12.936 1.00 50.07 C ATOM 168 C LYS A 11 30.837 41.028 12.625 1.00 50.51 C ATOM 169 O LYS A 11 30.237 40.546 13.579 1.00 49.49 O ATOM 170 CB LYS A 11 33.265 41.534 13.045 1.00 49.82 C ATOM 171 CG LYS A 11 34.375 42.551 13.272 1.00 49.82 C ATOM 172 CD LYS A 11 35.745 41.942 13.015 1.00 49.82 C ATOM 173 CE LYS A 11 35.932 41.596 11.545 1.00 50.21 C ATOM 174 NZ LYS A 11 37.309 41.111 11.258 1.00 49.70 N ATOM 0 H LYS A 11 31.945 42.496 14.994 1.00 49.53 H new ATOM 0 HA LYS A 11 31.827 42.851 12.110 1.00 50.07 H new ATOM 0 HB2 LYS A 11 33.274 40.816 13.865 1.00 49.82 H new ATOM 0 HB3 LYS A 11 33.479 40.978 12.132 1.00 49.82 H new ATOM 0 HG2 LYS A 11 34.226 43.407 12.614 1.00 49.82 H new ATOM 0 HG3 LYS A 11 34.326 42.923 14.295 1.00 49.82 H new ATOM 0 HD2 LYS A 11 36.520 42.642 13.327 1.00 49.82 H new ATOM 0 HD3 LYS A 11 35.865 41.043 13.620 1.00 49.82 H new ATOM 0 HE2 LYS A 11 35.211 40.831 11.258 1.00 50.21 H new ATOM 0 HE3 LYS A 11 35.723 42.475 10.936 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 37.802 41.801 10.656 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 37.830 40.996 12.151 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 37.259 40.196 10.766 1.00 49.70 H new ATOM 188 N THR A 12 30.731 40.664 11.361 1.00 49.53 N ATOM 189 CA THR A 12 29.822 39.546 11.044 1.00 50.07 C ATOM 190 C THR A 12 30.621 38.518 10.243 1.00 50.51 C ATOM 191 O THR A 12 30.858 38.806 9.067 1.00 49.49 O ATOM 192 CB THR A 12 28.600 40.006 10.226 1.00 50.14 C ATOM 193 OG1 THR A 12 27.857 40.974 10.978 1.00 49.34 O ATOM 194 CG2 THR A 12 27.701 38.824 9.900 1.00 49.73 C ATOM 0 H THR A 12 31.222 41.085 10.572 1.00 49.53 H new ATOM 0 HA THR A 12 29.440 39.122 11.972 1.00 50.07 H new ATOM 0 HB THR A 12 28.951 40.450 9.294 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.081 41.268 10.457 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.843 39.168 9.322 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.260 38.091 9.318 1.00 49.73 H new ATOM 0 HG23 THR A 12 27.354 38.364 10.826 1.00 49.73 H new ATOM 202 N ILE A 13 30.671 37.289 10.753 1.00 49.53 N ATOM 203 CA ILE A 13 31.452 36.300 9.952 1.00 50.07 C ATOM 204 C ILE A 13 30.495 35.477 9.133 1.00 50.51 C ATOM 205 O ILE A 13 29.436 35.064 9.645 1.00 49.49 O ATOM 206 CB ILE A 13 32.294 35.372 10.847 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.198 36.196 11.767 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.119 34.419 9.998 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.876 35.381 12.846 1.00 49.73 C ATOM 0 H ILE A 13 30.240 36.960 11.617 1.00 49.53 H new ATOM 0 HA ILE A 13 32.140 36.848 9.308 1.00 50.07 H new ATOM 0 HB ILE A 13 31.619 34.781 11.467 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.960 36.690 11.165 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.605 36.981 12.236 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.708 33.771 10.647 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.455 33.811 9.384 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.787 34.991 9.354 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.499 36.034 13.457 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.121 34.908 13.474 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.497 34.613 12.385 1.00 49.73 H new ATOM 221 N THR A 14 30.809 35.233 7.881 1.00 49.53 N ATOM 222 CA THR A 14 29.871 34.379 7.095 1.00 50.07 C ATOM 223 C THR A 14 30.748 33.295 6.524 1.00 50.51 C ATOM 224 O THR A 14 31.445 33.516 5.500 1.00 49.49 O ATOM 225 CB THR A 14 29.175 35.155 5.960 1.00 50.14 C ATOM 226 OG1 THR A 14 28.525 36.313 6.499 1.00 49.34 O ATOM 227 CG2 THR A 14 28.144 34.276 5.267 1.00 49.73 C ATOM 0 H THR A 14 31.636 35.572 7.390 1.00 49.53 H new ATOM 0 HA THR A 14 29.064 34.000 7.721 1.00 50.07 H new ATOM 0 HB THR A 14 29.928 35.458 5.232 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.084 36.807 5.776 1.00 49.34 H new ATOM 0 HG21 THR A 14 27.663 34.840 4.468 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.637 33.400 4.846 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.393 33.957 5.990 1.00 49.73 H new ATOM 235 N LEU A 15 30.699 32.091 7.072 1.00 49.53 N ATOM 236 CA LEU A 15 31.517 30.993 6.602 1.00 50.07 C ATOM 237 C LEU A 15 30.673 29.972 5.832 1.00 50.51 C ATOM 238 O LEU A 15 29.465 30.162 5.855 1.00 49.49 O ATOM 239 CB LEU A 15 32.228 30.319 7.782 1.00 49.82 C ATOM 240 CG LEU A 15 33.007 31.267 8.703 1.00 49.91 C ATOM 241 CD1 LEU A 15 33.549 30.500 9.901 1.00 49.73 C ATOM 242 CD2 LEU A 15 34.138 31.920 7.923 1.00 49.73 C ATOM 0 H LEU A 15 30.090 31.851 7.854 1.00 49.53 H new ATOM 0 HA LEU A 15 32.268 31.393 5.921 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.485 29.788 8.378 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.917 29.571 7.391 1.00 49.82 H new ATOM 0 HG LEU A 15 32.340 32.047 9.070 1.00 49.91 H new ATOM 0 HD11 LEU A 15 34.101 31.181 10.550 1.00 49.73 H new ATOM 0 HD12 LEU A 15 32.721 30.061 10.457 1.00 49.73 H new ATOM 0 HD13 LEU A 15 34.214 29.709 9.556 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.691 32.593 8.578 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.810 31.150 7.543 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.725 32.485 7.087 1.00 49.73 H new ATOM 254 N GLU A 16 31.347 28.989 5.283 1.00 49.53 N ATOM 255 CA GLU A 16 30.554 27.891 4.638 1.00 50.07 C ATOM 256 C GLU A 16 30.997 26.576 5.242 1.00 50.51 C ATOM 257 O GLU A 16 32.152 26.462 5.648 1.00 49.49 O ATOM 258 CB GLU A 16 30.761 27.886 3.121 1.00 49.82 C ATOM 259 CG GLU A 16 30.008 28.982 2.381 1.00 49.72 C ATOM 260 CD GLU A 16 30.324 28.966 0.911 1.00 50.62 C ATOM 261 OE1 GLU A 16 30.130 27.947 0.293 1.00 49.24 O ATOM 262 OE2 GLU A 16 30.654 30.002 0.383 1.00 49.24 O ATOM 0 H GLU A 16 32.362 28.897 5.251 1.00 49.53 H new ATOM 0 HA GLU A 16 29.490 28.047 4.818 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.826 27.988 2.911 1.00 49.82 H new ATOM 0 HB3 GLU A 16 30.450 26.918 2.727 1.00 49.82 H new ATOM 0 HG2 GLU A 16 28.936 28.851 2.526 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.270 29.953 2.801 1.00 49.72 H new ATOM 269 N VAL A 17 29.986 25.761 5.499 1.00 49.53 N ATOM 270 CA VAL A 17 30.182 24.458 6.125 1.00 50.07 C ATOM 271 C VAL A 17 29.275 23.404 5.475 1.00 50.51 C ATOM 272 O VAL A 17 28.308 23.725 4.745 1.00 49.49 O ATOM 273 CB VAL A 17 29.899 24.507 7.638 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.941 25.359 8.348 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.502 25.045 7.903 1.00 49.73 C ATOM 0 H VAL A 17 29.013 25.979 5.283 1.00 49.53 H new ATOM 0 HA VAL A 17 31.226 24.184 5.976 1.00 50.07 H new ATOM 0 HB VAL A 17 29.957 23.492 8.031 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.725 25.382 9.416 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.931 24.932 8.187 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.914 26.373 7.950 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.320 25.072 8.977 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.416 26.052 7.495 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.766 24.397 7.427 1.00 49.73 H new ATOM 285 N GLU A 18 29.626 22.179 5.797 1.00 49.53 N ATOM 286 CA GLU A 18 28.866 20.989 5.409 1.00 50.07 C ATOM 287 C GLU A 18 27.938 20.334 6.420 1.00 50.51 C ATOM 288 O GLU A 18 28.066 20.526 7.618 1.00 49.49 O ATOM 289 CB GLU A 18 29.833 19.927 4.882 1.00 49.82 C ATOM 290 CG GLU A 18 30.417 20.234 3.510 1.00 49.72 C ATOM 291 CD GLU A 18 31.134 19.041 2.941 1.00 50.62 C ATOM 292 OE1 GLU A 18 30.516 18.012 2.801 1.00 49.24 O ATOM 293 OE2 GLU A 18 32.264 19.186 2.543 1.00 49.24 O ATOM 0 H GLU A 18 30.460 21.967 6.345 1.00 49.53 H new ATOM 0 HA GLU A 18 28.177 21.387 4.664 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.650 19.812 5.594 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.313 18.970 4.836 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.619 20.538 2.833 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.108 21.074 3.586 1.00 49.72 H new ATOM 300 N PRO A 19 26.975 19.569 5.939 1.00 49.71 N ATOM 301 CA PRO A 19 26.042 18.839 6.800 1.00 50.02 C ATOM 302 C PRO A 19 26.762 17.957 7.790 1.00 50.51 C ATOM 303 O PRO A 19 26.219 17.582 8.839 1.00 49.49 O ATOM 304 CB PRO A 19 25.211 17.999 5.807 1.00 49.82 C ATOM 305 CG PRO A 19 25.236 18.829 4.567 1.00 49.82 C ATOM 306 CD PRO A 19 26.704 19.320 4.501 1.00 50.00 C ATOM 0 HA PRO A 19 25.432 19.506 7.409 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.650 17.015 5.644 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.194 17.839 6.165 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.966 18.246 3.686 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.535 19.662 4.625 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.373 18.570 4.078 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.812 20.221 3.897 1.00 50.00 H new ATOM 314 N SER A 20 27.981 17.561 7.466 1.00 49.53 N ATOM 315 CA SER A 20 28.731 16.656 8.350 1.00 50.07 C ATOM 316 C SER A 20 29.939 17.165 9.103 1.00 50.51 C ATOM 317 O SER A 20 30.872 16.372 9.317 1.00 49.49 O ATOM 318 CB SER A 20 29.142 15.433 7.554 1.00 50.05 C ATOM 319 OG SER A 20 28.047 14.818 6.929 1.00 49.34 O ATOM 0 H SER A 20 28.473 17.839 6.617 1.00 49.53 H new ATOM 0 HA SER A 20 28.016 16.471 9.152 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.875 15.721 6.800 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.630 14.717 8.216 1.00 50.05 H new ATOM 0 HG SER A 20 28.355 14.036 6.425 1.00 49.34 H new ATOM 325 N ASP A 21 29.977 18.474 9.361 1.00 49.53 N ATOM 326 CA ASP A 21 31.170 18.993 10.082 1.00 50.07 C ATOM 327 C ASP A 21 30.826 19.028 11.548 1.00 50.51 C ATOM 328 O ASP A 21 29.676 19.322 11.927 1.00 49.49 O ATOM 329 CB ASP A 21 31.552 20.388 9.580 1.00 49.72 C ATOM 330 CG ASP A 21 32.001 20.433 8.125 1.00 50.62 C ATOM 331 OD1 ASP A 21 32.214 19.387 7.557 1.00 49.24 O ATOM 332 OD2 ASP A 21 31.977 21.494 7.549 1.00 49.24 O ATOM 0 H ASP A 21 29.263 19.158 9.111 1.00 49.53 H new ATOM 0 HA ASP A 21 32.031 18.348 9.905 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.697 21.052 9.704 1.00 49.72 H new ATOM 0 HB3 ASP A 21 32.353 20.779 10.207 1.00 49.72 H new ATOM 337 N THR A 22 31.836 18.839 12.381 1.00 49.53 N ATOM 338 CA THR A 22 31.684 18.933 13.814 1.00 50.07 C ATOM 339 C THR A 22 32.017 20.369 14.280 1.00 50.51 C ATOM 340 O THR A 22 32.866 21.027 13.672 1.00 49.49 O ATOM 341 CB THR A 22 32.595 17.933 14.551 1.00 50.14 C ATOM 342 OG1 THR A 22 33.952 18.121 14.132 1.00 49.34 O ATOM 343 CG2 THR A 22 32.168 16.503 14.253 1.00 49.73 C ATOM 0 H THR A 22 32.784 18.616 12.077 1.00 49.53 H new ATOM 0 HA THR A 22 30.649 18.690 14.055 1.00 50.07 H new ATOM 0 HB THR A 22 32.512 18.110 15.623 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.531 17.485 14.603 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.823 15.810 14.782 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.140 16.354 14.583 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.235 16.319 13.181 1.00 49.73 H new ATOM 351 N ILE A 23 31.318 20.749 15.351 1.00 49.53 N ATOM 352 CA ILE A 23 31.564 22.039 15.988 1.00 50.07 C ATOM 353 C ILE A 23 33.039 22.389 16.192 1.00 50.51 C ATOM 354 O ILE A 23 33.475 23.543 16.036 1.00 49.49 O ATOM 355 CB ILE A 23 30.852 22.124 17.350 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.335 22.212 17.155 1.00 49.82 C ATOM 357 CG2 ILE A 23 31.359 23.319 18.143 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.890 23.420 16.362 1.00 49.73 C ATOM 0 H ILE A 23 30.587 20.189 15.789 1.00 49.53 H new ATOM 0 HA ILE A 23 31.160 22.766 15.283 1.00 50.07 H new ATOM 0 HB ILE A 23 31.075 21.218 17.914 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.990 21.310 16.649 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.853 22.233 18.132 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.845 23.363 19.103 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.431 23.216 18.310 1.00 49.73 H new ATOM 0 HG23 ILE A 23 31.165 24.235 17.585 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.804 23.413 16.266 1.00 49.73 H new ATOM 0 HD12 ILE A 23 29.203 24.328 16.877 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.342 23.391 15.370 1.00 49.73 H new ATOM 370 N GLU A 24 33.825 21.405 16.563 1.00 49.53 N ATOM 371 CA GLU A 24 35.301 21.633 16.724 1.00 50.07 C ATOM 372 C GLU A 24 35.931 22.091 15.431 1.00 50.51 C ATOM 373 O GLU A 24 36.858 22.937 15.423 1.00 49.49 O ATOM 374 CB GLU A 24 35.988 20.360 17.220 1.00 49.82 C ATOM 375 CG GLU A 24 35.555 19.913 18.609 1.00 49.72 C ATOM 376 CD GLU A 24 36.390 18.763 19.100 1.00 50.62 C ATOM 377 OE1 GLU A 24 37.214 18.291 18.352 1.00 49.24 O ATOM 378 OE2 GLU A 24 36.286 18.429 20.256 1.00 49.24 O ATOM 0 H GLU A 24 33.511 20.455 16.761 1.00 49.53 H new ATOM 0 HA GLU A 24 35.435 22.421 17.465 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.788 19.555 16.513 1.00 49.82 H new ATOM 0 HB3 GLU A 24 37.066 20.521 17.223 1.00 49.82 H new ATOM 0 HG2 GLU A 24 35.639 20.748 19.304 1.00 49.72 H new ATOM 0 HG3 GLU A 24 34.505 19.620 18.588 1.00 49.72 H new ATOM 385 N ASN A 25 35.457 21.556 14.318 1.00 49.53 N ATOM 386 CA ASN A 25 35.950 21.872 12.971 1.00 50.07 C ATOM 387 C ASN A 25 35.616 23.315 12.595 1.00 50.51 C ATOM 388 O ASN A 25 36.388 23.982 11.875 1.00 49.49 O ATOM 389 CB ASN A 25 35.390 20.914 11.935 1.00 49.82 C ATOM 390 CG ASN A 25 35.857 19.496 12.108 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.743 19.206 12.921 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.323 18.622 11.292 1.00 49.38 N ATOM 0 H ASN A 25 34.700 20.872 14.317 1.00 49.53 H new ATOM 0 HA ASN A 25 37.034 21.757 12.984 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.301 20.937 11.983 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.673 21.262 10.941 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.636 17.651 11.309 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.595 18.912 10.640 1.00 49.38 H new ATOM 399 N VAL A 26 34.466 23.752 13.086 1.00 49.53 N ATOM 400 CA VAL A 26 34.024 25.120 12.840 1.00 50.07 C ATOM 401 C VAL A 26 34.844 26.154 13.603 1.00 50.51 C ATOM 402 O VAL A 26 35.300 27.154 13.038 1.00 49.49 O ATOM 403 CB VAL A 26 32.538 25.299 13.202 1.00 49.91 C ATOM 404 CG1 VAL A 26 32.140 26.764 13.107 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.661 24.451 12.292 1.00 49.73 C ATOM 0 H VAL A 26 33.828 23.190 13.650 1.00 49.53 H new ATOM 0 HA VAL A 26 34.170 25.289 11.773 1.00 50.07 H new ATOM 0 HB VAL A 26 32.392 24.966 14.230 1.00 49.91 H new ATOM 0 HG11 VAL A 26 31.087 26.872 13.366 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.746 27.351 13.797 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.302 27.120 12.089 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.614 24.590 12.562 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.811 24.754 11.256 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.928 23.400 12.405 1.00 49.73 H new ATOM 415 N LYS A 27 35.070 25.883 14.883 1.00 49.53 N ATOM 416 CA LYS A 27 35.844 26.807 15.725 1.00 50.07 C ATOM 417 C LYS A 27 37.245 26.877 15.140 1.00 50.51 C ATOM 418 O LYS A 27 37.906 27.935 15.274 1.00 49.49 O ATOM 419 CB LYS A 27 35.883 26.327 17.176 1.00 49.82 C ATOM 420 CG LYS A 27 34.553 26.435 17.911 1.00 49.82 C ATOM 421 CD LYS A 27 34.743 26.331 19.417 1.00 49.82 C ATOM 422 CE LYS A 27 35.094 24.911 19.835 1.00 50.21 C ATOM 423 NZ LYS A 27 35.169 24.768 21.314 1.00 49.70 N ATOM 0 H LYS A 27 34.737 25.046 15.361 1.00 49.53 H new ATOM 0 HA LYS A 27 35.381 27.794 15.734 1.00 50.07 H new ATOM 0 HB2 LYS A 27 36.210 25.287 17.193 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.631 26.906 17.717 1.00 49.82 H new ATOM 0 HG2 LYS A 27 34.077 27.385 17.667 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.882 25.646 17.572 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.534 27.011 19.733 1.00 49.82 H new ATOM 0 HD3 LYS A 27 33.830 26.646 19.923 1.00 49.82 H new ATOM 0 HE2 LYS A 27 34.347 24.222 19.442 1.00 50.21 H new ATOM 0 HE3 LYS A 27 36.050 24.629 19.395 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 36.000 24.196 21.566 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.251 25.709 21.750 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 34.308 24.299 21.662 1.00 49.70 H new ATOM 437 N ALA A 28 37.725 25.799 14.554 1.00 49.53 N ATOM 438 CA ALA A 28 39.039 25.786 13.899 1.00 50.07 C ATOM 439 C ALA A 28 39.181 26.767 12.749 1.00 50.51 C ATOM 440 O ALA A 28 40.094 27.662 12.770 1.00 49.49 O ATOM 441 CB ALA A 28 39.367 24.361 13.414 1.00 49.73 C ATOM 0 H ALA A 28 37.229 24.909 14.512 1.00 49.53 H new ATOM 0 HA ALA A 28 39.751 26.113 14.657 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.343 24.357 12.929 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.383 23.681 14.266 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.607 24.035 12.704 1.00 49.73 H new ATOM 447 N LYS A 29 38.331 26.701 11.736 1.00 49.53 N ATOM 448 CA LYS A 29 38.362 27.679 10.630 1.00 50.07 C ATOM 449 C LYS A 29 38.473 29.108 11.196 1.00 50.51 C ATOM 450 O LYS A 29 39.352 29.923 10.825 1.00 49.49 O ATOM 451 CB LYS A 29 37.113 27.548 9.757 1.00 49.82 C ATOM 452 CG LYS A 29 37.080 28.489 8.561 1.00 49.82 C ATOM 453 CD LYS A 29 38.158 28.134 7.547 1.00 49.82 C ATOM 454 CE LYS A 29 38.048 28.993 6.296 1.00 50.21 C ATOM 455 NZ LYS A 29 39.094 28.653 5.294 1.00 49.70 N ATOM 0 H LYS A 29 37.608 25.987 11.646 1.00 49.53 H new ATOM 0 HA LYS A 29 39.234 27.475 10.009 1.00 50.07 H new ATOM 0 HB2 LYS A 29 37.042 26.521 9.398 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.233 27.732 10.373 1.00 49.82 H new ATOM 0 HG2 LYS A 29 36.101 28.441 8.085 1.00 49.82 H new ATOM 0 HG3 LYS A 29 37.220 29.516 8.899 1.00 49.82 H new ATOM 0 HD2 LYS A 29 39.142 28.268 7.997 1.00 49.82 H new ATOM 0 HD3 LYS A 29 38.073 27.082 7.276 1.00 49.82 H new ATOM 0 HE2 LYS A 29 37.062 28.860 5.850 1.00 50.21 H new ATOM 0 HE3 LYS A 29 38.135 30.045 6.569 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 38.984 29.261 4.457 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 40.035 28.804 5.710 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 38.995 27.656 5.013 1.00 49.70 H new ATOM 469 N ILE A 30 37.608 29.409 12.166 1.00 49.53 N ATOM 470 CA ILE A 30 37.638 30.753 12.773 1.00 50.07 C ATOM 471 C ILE A 30 38.964 31.258 13.359 1.00 50.51 C ATOM 472 O ILE A 30 39.307 32.449 13.178 1.00 49.49 O ATOM 473 CB ILE A 30 36.566 30.866 13.872 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.165 30.810 13.259 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.753 32.151 14.666 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.075 30.490 14.257 1.00 49.73 C ATOM 0 H ILE A 30 36.903 28.774 12.541 1.00 49.53 H new ATOM 0 HA ILE A 30 37.453 31.394 11.911 1.00 50.07 H new ATOM 0 HB ILE A 30 36.677 30.022 14.553 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.945 31.769 12.790 1.00 49.82 H new ATOM 0 HG13 ILE A 30 35.154 30.059 12.469 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.987 32.216 15.439 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.739 32.151 15.131 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.667 33.008 13.997 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.111 30.468 13.748 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.269 29.517 14.709 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.058 31.254 15.034 1.00 49.73 H new ATOM 488 N GLN A 31 39.690 30.428 14.064 1.00 49.53 N ATOM 489 CA GLN A 31 40.989 30.919 14.624 1.00 50.07 C ATOM 490 C GLN A 31 41.790 31.382 13.397 1.00 50.51 C ATOM 491 O GLN A 31 42.465 32.435 13.320 1.00 49.49 O ATOM 492 CB GLN A 31 41.731 29.808 15.374 1.00 49.82 C ATOM 493 CG GLN A 31 42.926 30.291 16.176 1.00 49.82 C ATOM 494 CD GLN A 31 43.618 29.162 16.919 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.252 27.993 16.777 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.620 29.509 17.719 1.00 49.38 N ATOM 0 H GLN A 31 39.451 29.459 14.273 1.00 49.53 H new ATOM 0 HA GLN A 31 40.842 31.718 15.350 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.033 29.310 16.047 1.00 49.82 H new ATOM 0 HB3 GLN A 31 42.068 29.061 14.655 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.639 30.773 15.507 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.599 31.046 16.891 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.888 30.489 17.805 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.122 28.795 18.247 1.00 49.38 H new ATOM 505 N ASP A 32 41.755 30.534 12.396 1.00 49.53 N ATOM 506 CA ASP A 32 42.461 30.838 11.130 1.00 50.07 C ATOM 507 C ASP A 32 41.855 31.922 10.267 1.00 50.51 C ATOM 508 O ASP A 32 42.526 32.629 9.480 1.00 49.49 O ATOM 509 CB ASP A 32 42.601 29.559 10.300 1.00 49.72 C ATOM 510 CG ASP A 32 43.455 28.478 10.949 1.00 50.62 C ATOM 511 OD1 ASP A 32 44.255 28.806 11.793 1.00 49.24 O ATOM 512 OD2 ASP A 32 43.192 27.322 10.715 1.00 49.24 O ATOM 0 H ASP A 32 41.262 29.641 12.411 1.00 49.53 H new ATOM 0 HA ASP A 32 43.425 31.235 11.447 1.00 50.07 H new ATOM 0 HB2 ASP A 32 41.607 29.154 10.109 1.00 49.72 H new ATOM 0 HB3 ASP A 32 43.033 29.814 9.332 1.00 49.72 H new ATOM 517 N LYS A 33 40.535 32.154 10.400 1.00 49.53 N ATOM 518 CA LYS A 33 39.940 33.154 9.473 1.00 50.07 C ATOM 519 C LYS A 33 39.971 34.549 9.991 1.00 50.51 C ATOM 520 O LYS A 33 40.703 35.384 9.356 1.00 49.49 O ATOM 521 CB LYS A 33 38.501 32.765 9.135 1.00 49.82 C ATOM 522 CG LYS A 33 37.711 33.845 8.406 1.00 49.82 C ATOM 523 CD LYS A 33 38.352 34.193 7.070 1.00 49.82 C ATOM 524 CE LYS A 33 37.536 35.235 6.320 1.00 50.21 C ATOM 525 NZ LYS A 33 38.081 35.493 4.959 1.00 49.70 N ATOM 0 H LYS A 33 39.904 31.714 11.070 1.00 49.53 H new ATOM 0 HA LYS A 33 40.562 33.141 8.578 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.516 31.865 8.520 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.980 32.511 10.058 1.00 49.82 H new ATOM 0 HG2 LYS A 33 36.689 33.503 8.243 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.653 34.738 9.028 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.362 34.569 7.236 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.443 33.293 6.462 1.00 49.82 H new ATOM 0 HE2 LYS A 33 36.503 34.898 6.239 1.00 50.21 H new ATOM 0 HE3 LYS A 33 37.524 36.165 6.889 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 37.497 36.209 4.481 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 39.059 35.839 5.036 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.069 34.611 4.407 1.00 49.70 H new ATOM 539 N GLU A 34 39.405 34.905 11.112 1.00 49.53 N ATOM 540 CA GLU A 34 39.408 36.242 11.660 1.00 50.07 C ATOM 541 C GLU A 34 40.387 36.346 12.801 1.00 50.51 C ATOM 542 O GLU A 34 40.815 37.455 13.140 1.00 49.49 O ATOM 543 CB GLU A 34 38.005 36.633 12.130 1.00 49.82 C ATOM 544 CG GLU A 34 37.021 36.915 11.004 1.00 49.72 C ATOM 545 CD GLU A 34 37.524 38.003 10.097 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.964 39.010 10.596 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.574 37.783 8.909 1.00 49.24 O ATOM 0 H GLU A 34 38.903 34.240 11.700 1.00 49.53 H new ATOM 0 HA GLU A 34 39.717 36.931 10.874 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.607 35.831 12.752 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.080 37.519 12.761 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.856 36.005 10.427 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.058 37.205 11.424 1.00 49.72 H new ATOM 554 N GLY A 35 40.688 35.237 13.455 1.00 49.53 N ATOM 555 CA GLY A 35 41.663 35.195 14.514 1.00 49.98 C ATOM 556 C GLY A 35 41.232 35.084 15.923 1.00 50.51 C ATOM 557 O GLY A 35 42.045 35.333 16.852 1.00 49.49 O ATOM 0 H GLY A 35 40.254 34.335 13.258 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.323 34.351 14.311 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.267 36.099 14.432 1.00 49.98 H new ATOM 561 N ILE A 36 39.995 34.618 16.169 1.00 49.53 N ATOM 562 CA ILE A 36 39.548 34.494 17.564 1.00 50.07 C ATOM 563 C ILE A 36 39.983 33.155 18.133 1.00 50.51 C ATOM 564 O ILE A 36 39.811 32.104 17.490 1.00 49.49 O ATOM 565 CB ILE A 36 38.019 34.627 17.687 1.00 49.91 C ATOM 566 CG1 ILE A 36 37.578 36.054 17.352 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.562 34.239 19.085 1.00 49.73 C ATOM 568 CD1 ILE A 36 36.106 36.181 17.034 1.00 49.73 C ATOM 0 H ILE A 36 39.319 34.335 15.460 1.00 49.53 H new ATOM 0 HA ILE A 36 40.007 35.306 18.128 1.00 50.07 H new ATOM 0 HB ILE A 36 37.554 33.947 16.973 1.00 49.91 H new ATOM 0 HG12 ILE A 36 37.815 36.704 18.194 1.00 49.82 H new ATOM 0 HG13 ILE A 36 38.156 36.412 16.500 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.479 34.339 19.154 1.00 49.73 H new ATOM 0 HG22 ILE A 36 37.845 33.206 19.287 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.034 34.894 19.817 1.00 49.73 H new ATOM 0 HD11 ILE A 36 35.871 37.221 16.807 1.00 49.73 H new ATOM 0 HD12 ILE A 36 35.865 35.558 16.172 1.00 49.73 H new ATOM 0 HD13 ILE A 36 35.519 35.855 17.893 1.00 49.73 H new ATOM 580 N PRO A 37 40.526 33.162 19.346 1.00 49.71 N ATOM 581 CA PRO A 37 40.963 31.939 20.041 1.00 50.02 C ATOM 582 C PRO A 37 39.816 30.956 20.178 1.00 50.51 C ATOM 583 O PRO A 37 38.699 31.394 20.563 1.00 49.49 O ATOM 584 CB PRO A 37 41.332 32.521 21.440 1.00 49.82 C ATOM 585 CG PRO A 37 41.810 33.908 21.124 1.00 49.82 C ATOM 586 CD PRO A 37 40.750 34.401 20.149 1.00 50.00 C ATOM 0 HA PRO A 37 41.762 31.395 19.536 1.00 50.02 H new ATOM 0 HB2 PRO A 37 40.472 32.535 22.109 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.107 31.931 21.929 1.00 49.82 H new ATOM 0 HG2 PRO A 37 41.865 34.533 22.016 1.00 49.82 H new ATOM 0 HG3 PRO A 37 42.804 33.904 20.677 1.00 49.82 H new ATOM 0 HD2 PRO A 37 39.845 34.737 20.655 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.102 35.233 19.539 1.00 50.00 H new ATOM 594 N PRO A 38 40.039 29.687 19.943 1.00 49.71 N ATOM 595 CA PRO A 38 38.952 28.700 20.049 1.00 50.02 C ATOM 596 C PRO A 38 38.289 28.683 21.401 1.00 50.51 C ATOM 597 O PRO A 38 37.065 28.414 21.540 1.00 49.49 O ATOM 598 CB PRO A 38 39.615 27.389 19.642 1.00 49.82 C ATOM 599 CG PRO A 38 40.723 27.842 18.695 1.00 49.82 C ATOM 600 CD PRO A 38 41.293 29.054 19.464 1.00 50.00 C ATOM 0 HA PRO A 38 38.105 28.932 19.403 1.00 50.02 H new ATOM 0 HB2 PRO A 38 40.015 26.855 20.504 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.912 26.718 19.149 1.00 49.82 H new ATOM 0 HG2 PRO A 38 41.472 27.066 18.536 1.00 49.82 H new ATOM 0 HG3 PRO A 38 40.338 28.120 17.714 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.945 28.755 20.284 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.873 29.717 18.822 1.00 50.00 H new ATOM 608 N ASP A 39 39.022 28.961 22.450 1.00 49.53 N ATOM 609 CA ASP A 39 38.452 28.909 23.824 1.00 50.07 C ATOM 610 C ASP A 39 37.531 30.058 24.216 1.00 50.51 C ATOM 611 O ASP A 39 36.561 29.913 25.009 1.00 49.49 O ATOM 612 CB ASP A 39 39.585 28.805 24.849 1.00 49.72 C ATOM 613 CG ASP A 39 40.280 27.451 24.883 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.670 26.482 24.494 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.458 27.417 25.144 1.00 49.24 O ATOM 0 H ASP A 39 40.006 29.225 22.408 1.00 49.53 H new ATOM 0 HA ASP A 39 37.816 28.024 23.820 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.326 29.575 24.633 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.183 29.019 25.839 1.00 49.72 H new ATOM 620 N GLN A 40 37.732 31.213 23.603 1.00 49.53 N ATOM 621 CA GLN A 40 36.856 32.369 23.911 1.00 50.07 C ATOM 622 C GLN A 40 35.469 32.164 23.272 1.00 50.51 C ATOM 623 O GLN A 40 34.510 32.768 23.736 1.00 49.49 O ATOM 624 CB GLN A 40 37.480 33.670 23.398 1.00 49.82 C ATOM 625 CG GLN A 40 38.757 34.074 24.116 1.00 49.82 C ATOM 626 CD GLN A 40 39.230 35.460 23.721 1.00 50.55 C ATOM 627 OE1 GLN A 40 38.595 36.140 22.910 1.00 49.45 O ATOM 628 NE2 GLN A 40 40.351 35.887 24.291 1.00 49.38 N ATOM 0 H GLN A 40 38.461 31.389 22.912 1.00 49.53 H new ATOM 0 HA GLN A 40 36.745 32.440 24.993 1.00 50.07 H new ATOM 0 HB2 GLN A 40 37.693 33.563 22.334 1.00 49.82 H new ATOM 0 HB3 GLN A 40 36.751 34.474 23.498 1.00 49.82 H new ATOM 0 HG2 GLN A 40 38.590 34.043 25.193 1.00 49.82 H new ATOM 0 HG3 GLN A 40 39.540 33.349 23.894 1.00 49.82 H new ATOM 0 HE21 GLN A 40 40.844 35.291 24.956 1.00 49.38 H new ATOM 0 HE22 GLN A 40 40.719 36.811 24.063 1.00 49.38 H new ATOM 637 N GLN A 41 35.375 31.330 22.260 1.00 49.53 N ATOM 638 CA GLN A 41 34.149 31.085 21.541 1.00 50.07 C ATOM 639 C GLN A 41 33.088 30.313 22.297 1.00 50.51 C ATOM 640 O GLN A 41 33.161 29.123 22.566 1.00 49.49 O ATOM 641 CB GLN A 41 34.454 30.354 20.231 1.00 49.82 C ATOM 642 CG GLN A 41 35.474 31.054 19.350 1.00 49.82 C ATOM 643 CD GLN A 41 35.793 30.265 18.094 1.00 50.55 C ATOM 644 OE1 GLN A 41 35.179 29.230 17.822 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.761 30.748 17.323 1.00 49.38 N ATOM 0 H GLN A 41 36.167 30.793 21.908 1.00 49.53 H new ATOM 0 HA GLN A 41 33.727 32.075 21.369 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.817 29.353 20.463 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.527 30.235 19.670 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.095 32.037 19.071 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.391 31.214 19.917 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.242 31.608 17.587 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.023 30.259 16.467 1.00 49.38 H new ATOM 654 N ARG A 42 31.951 30.977 22.491 1.00 49.53 N ATOM 655 CA ARG A 42 30.744 30.304 23.063 1.00 50.07 C ATOM 656 C ARG A 42 29.654 30.254 22.013 1.00 50.51 C ATOM 657 O ARG A 42 29.316 31.382 21.473 1.00 49.49 O ATOM 658 CB ARG A 42 30.263 30.963 24.348 1.00 49.82 C ATOM 659 CG ARG A 42 31.069 30.610 25.588 1.00 49.82 C ATOM 660 CD ARG A 42 30.646 31.328 26.818 1.00 50.20 C ATOM 661 NE ARG A 42 29.315 30.980 27.291 1.00 49.30 N ATOM 662 CZ ARG A 42 28.668 31.614 28.287 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.236 32.601 28.944 1.00 49.20 N ATOM 664 NH2 ARG A 42 27.453 31.200 28.605 1.00 49.20 N ATOM 0 H ARG A 42 31.821 31.964 22.271 1.00 49.53 H new ATOM 0 HA ARG A 42 31.018 29.286 23.340 1.00 50.07 H new ATOM 0 HB2 ARG A 42 30.284 32.045 24.214 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.223 30.682 24.516 1.00 49.82 H new ATOM 0 HG2 ARG A 42 30.992 29.537 25.763 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.120 30.828 25.398 1.00 49.82 H new ATOM 0 HD2 ARG A 42 31.365 31.121 27.610 1.00 50.20 H new ATOM 0 HD3 ARG A 42 30.682 32.401 26.628 1.00 50.20 H new ATOM 0 HE ARG A 42 28.839 30.201 26.836 1.00 49.30 H new ATOM 0 HH11 ARG A 42 30.181 32.897 28.702 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.731 33.070 29.696 1.00 49.20 H new ATOM 0 HH21 ARG A 42 27.031 30.420 28.100 1.00 49.20 H new ATOM 0 HH22 ARG A 42 26.937 31.660 29.355 1.00 49.20 H new ATOM 678 N LEU A 43 29.159 29.076 21.639 1.00 49.53 N ATOM 679 CA LEU A 43 28.130 28.983 20.572 1.00 50.07 C ATOM 680 C LEU A 43 26.710 28.906 21.122 1.00 50.51 C ATOM 681 O LEU A 43 26.461 28.104 22.032 1.00 49.49 O ATOM 682 CB LEU A 43 28.412 27.769 19.678 1.00 49.82 C ATOM 683 CG LEU A 43 29.757 27.800 18.941 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.060 26.430 18.350 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.716 28.860 17.851 1.00 49.73 C ATOM 0 H LEU A 43 29.438 28.181 22.042 1.00 49.53 H new ATOM 0 HA LEU A 43 28.194 29.901 19.988 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.373 26.869 20.292 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.613 27.687 18.941 1.00 49.82 H new ATOM 0 HG LEU A 43 30.551 28.051 19.644 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.017 26.462 17.829 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.107 25.691 19.150 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.273 26.155 17.648 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.672 28.881 17.328 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.921 28.624 17.144 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.526 29.835 18.299 1.00 49.73 H new ATOM 697 N ILE A 44 25.849 29.791 20.627 1.00 49.53 N ATOM 698 CA ILE A 44 24.466 29.890 21.078 1.00 50.07 C ATOM 699 C ILE A 44 23.417 29.722 19.985 1.00 50.51 C ATOM 700 O ILE A 44 23.334 30.480 19.041 1.00 49.49 O ATOM 701 CB ILE A 44 24.216 31.232 21.788 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.115 31.360 23.021 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.751 31.364 22.178 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.095 32.734 23.651 1.00 49.73 C ATOM 0 H ILE A 44 26.093 30.462 19.899 1.00 49.53 H new ATOM 0 HA ILE A 44 24.348 29.050 21.762 1.00 50.07 H new ATOM 0 HB ILE A 44 24.461 32.039 21.098 1.00 49.91 H new ATOM 0 HG12 ILE A 44 24.804 30.625 23.764 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.139 31.115 22.739 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.592 32.319 22.679 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.131 31.316 21.283 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.479 30.551 22.852 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.756 32.746 24.518 1.00 49.73 H new ATOM 0 HD12 ILE A 44 25.435 33.472 22.925 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.080 32.976 23.965 1.00 49.73 H new ATOM 716 N PHE A 45 22.572 28.672 20.171 1.00 49.53 N ATOM 717 CA PHE A 45 21.468 28.398 19.237 1.00 50.07 C ATOM 718 C PHE A 45 20.333 27.849 20.122 1.00 50.51 C ATOM 719 O PHE A 45 20.488 26.882 20.868 1.00 49.49 O ATOM 720 CB PHE A 45 21.880 27.383 18.170 1.00 49.82 C ATOM 721 CG PHE A 45 20.756 26.964 17.265 1.00 50.00 C ATOM 722 CD1 PHE A 45 19.618 27.748 17.142 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.834 25.788 16.536 1.00 49.88 C ATOM 724 CE1 PHE A 45 18.583 27.364 16.310 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.802 25.402 15.702 1.00 49.88 C ATOM 726 CZ PHE A 45 18.676 26.192 15.590 1.00 49.88 C ATOM 0 H PHE A 45 22.640 28.016 20.949 1.00 49.53 H new ATOM 0 HA PHE A 45 21.165 29.291 18.690 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.681 27.810 17.566 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.288 26.499 18.661 1.00 49.82 H new ATOM 0 HD1 PHE A 45 19.540 28.668 17.702 1.00 49.88 H new ATOM 0 HD2 PHE A 45 21.712 25.165 16.621 1.00 49.88 H new ATOM 0 HE1 PHE A 45 17.702 27.982 16.224 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.877 24.484 15.139 1.00 49.88 H new ATOM 0 HZ PHE A 45 17.868 25.892 14.939 1.00 49.88 H new ATOM 736 N ALA A 46 19.243 28.572 20.035 1.00 49.53 N ATOM 737 CA ALA A 46 17.989 28.234 20.738 1.00 50.07 C ATOM 738 C ALA A 46 18.232 28.389 22.231 1.00 50.51 C ATOM 739 O ALA A 46 17.782 27.578 23.055 1.00 49.49 O ATOM 740 CB ALA A 46 17.551 26.844 20.404 1.00 49.73 C ATOM 0 H ALA A 46 19.181 29.422 19.475 1.00 49.53 H new ATOM 0 HA ALA A 46 17.189 28.903 20.422 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.625 26.617 20.933 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.384 26.763 19.330 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.324 26.137 20.705 1.00 49.73 H new ATOM 746 N GLY A 47 18.960 29.419 22.551 1.00 49.53 N ATOM 747 CA GLY A 47 19.378 29.844 23.855 1.00 49.98 C ATOM 748 C GLY A 47 20.141 28.825 24.661 1.00 50.51 C ATOM 749 O GLY A 47 20.400 29.056 25.863 1.00 49.49 O ATOM 0 H GLY A 47 19.312 30.047 21.829 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.999 30.733 23.745 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.495 30.140 24.421 1.00 49.98 H new ATOM 753 N LYS A 48 20.555 27.746 24.055 1.00 49.53 N ATOM 754 CA LYS A 48 21.350 26.714 24.733 1.00 50.07 C ATOM 755 C LYS A 48 22.790 26.443 24.262 1.00 50.51 C ATOM 756 O LYS A 48 22.974 26.191 23.081 1.00 49.49 O ATOM 757 CB LYS A 48 20.577 25.393 24.715 1.00 49.82 C ATOM 758 CG LYS A 48 19.224 25.446 25.413 1.00 49.82 C ATOM 759 CD LYS A 48 18.661 24.050 25.634 1.00 49.82 C ATOM 760 CE LYS A 48 17.353 24.096 26.409 1.00 50.21 C ATOM 761 NZ LYS A 48 17.551 24.572 27.806 1.00 49.70 N ATOM 0 H LYS A 48 20.359 27.541 23.075 1.00 49.53 H new ATOM 0 HA LYS A 48 21.491 27.142 25.725 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.426 25.088 23.679 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.186 24.623 25.188 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.327 25.955 26.371 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.526 26.031 24.814 1.00 49.82 H new ATOM 0 HD2 LYS A 48 18.499 23.565 24.672 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.387 23.445 26.178 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.651 24.754 25.897 1.00 50.21 H new ATOM 0 HE3 LYS A 48 16.905 23.102 26.424 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 16.693 24.383 28.362 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 18.357 24.071 28.232 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.742 25.594 27.801 1.00 49.70 H new ATOM 775 N GLN A 49 23.741 26.483 25.157 1.00 49.53 N ATOM 776 CA GLN A 49 25.136 26.112 24.784 1.00 50.07 C ATOM 777 C GLN A 49 25.391 24.910 23.879 1.00 50.51 C ATOM 778 O GLN A 49 25.068 23.765 24.292 1.00 49.49 O ATOM 779 CB GLN A 49 25.958 25.922 26.061 1.00 49.82 C ATOM 780 CG GLN A 49 27.413 25.562 25.816 1.00 49.82 C ATOM 781 CD GLN A 49 28.210 26.723 25.253 1.00 50.55 C ATOM 782 OE1 GLN A 49 28.082 27.863 25.709 1.00 49.45 O ATOM 783 NE2 GLN A 49 29.038 26.442 24.252 1.00 49.38 N ATOM 0 H GLN A 49 23.611 26.757 26.131 1.00 49.53 H new ATOM 0 HA GLN A 49 25.430 26.955 24.159 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.916 26.840 26.647 1.00 49.82 H new ATOM 0 HB3 GLN A 49 25.498 25.139 26.663 1.00 49.82 H new ATOM 0 HG2 GLN A 49 27.866 25.234 26.752 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.465 24.721 25.125 1.00 49.82 H new ATOM 0 HE21 GLN A 49 29.113 25.486 23.905 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.598 27.183 23.830 1.00 49.38 H new ATOM 792 N LEU A 50 26.021 25.117 22.748 1.00 49.53 N ATOM 793 CA LEU A 50 26.243 24.048 21.760 1.00 50.07 C ATOM 794 C LEU A 50 27.460 23.229 22.155 1.00 50.51 C ATOM 795 O LEU A 50 28.514 23.816 22.301 1.00 49.49 O ATOM 796 CB LEU A 50 26.423 24.642 20.358 1.00 49.82 C ATOM 797 CG LEU A 50 25.157 24.667 19.491 1.00 49.91 C ATOM 798 CD1 LEU A 50 23.950 25.036 20.342 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.340 25.661 18.353 1.00 49.73 C ATOM 0 H LEU A 50 26.400 26.023 22.472 1.00 49.53 H new ATOM 0 HA LEU A 50 25.370 23.395 21.741 1.00 50.07 H new ATOM 0 HB2 LEU A 50 26.796 25.661 20.458 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.191 24.072 19.835 1.00 49.82 H new ATOM 0 HG LEU A 50 24.986 23.677 19.067 1.00 49.91 H new ATOM 0 HD11 LEU A 50 23.056 25.051 19.718 1.00 49.73 H new ATOM 0 HD12 LEU A 50 23.826 24.300 21.136 1.00 49.73 H new ATOM 0 HD13 LEU A 50 24.103 26.022 20.782 1.00 49.73 H new ATOM 0 HD21 LEU A 50 24.441 25.679 17.737 1.00 49.73 H new ATOM 0 HD22 LEU A 50 25.518 26.655 18.763 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.192 25.362 17.742 1.00 49.73 H new ATOM 811 N GLU A 51 27.289 21.916 22.310 1.00 49.53 N ATOM 812 CA GLU A 51 28.413 21.058 22.744 1.00 50.07 C ATOM 813 C GLU A 51 29.488 20.825 21.717 1.00 50.51 C ATOM 814 O GLU A 51 29.167 20.643 20.545 1.00 49.49 O ATOM 815 CB GLU A 51 27.878 19.708 23.228 1.00 49.82 C ATOM 816 CG GLU A 51 26.780 19.807 24.278 1.00 49.72 C ATOM 817 CD GLU A 51 26.082 18.488 24.463 1.00 50.62 C ATOM 818 OE1 GLU A 51 26.397 17.565 23.751 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.314 18.371 25.389 1.00 49.24 O ATOM 0 H GLU A 51 26.410 21.424 22.149 1.00 49.53 H new ATOM 0 HA GLU A 51 28.895 21.615 23.548 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.495 19.154 22.371 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.705 19.129 23.638 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.209 20.130 25.227 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.056 20.566 23.980 1.00 49.72 H new ATOM 826 N ASP A 52 30.745 20.818 22.084 1.00 49.53 N ATOM 827 CA ASP A 52 31.899 20.693 21.200 1.00 50.07 C ATOM 828 C ASP A 52 31.775 19.449 20.338 1.00 50.51 C ATOM 829 O ASP A 52 32.003 19.548 19.099 1.00 49.49 O ATOM 830 CB ASP A 52 33.197 20.649 22.010 1.00 49.72 C ATOM 831 CG ASP A 52 33.700 22.011 22.468 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.345 22.990 21.855 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.302 22.079 23.513 1.00 49.24 O ATOM 0 H ASP A 52 31.016 20.904 23.063 1.00 49.53 H new ATOM 0 HA ASP A 52 31.927 21.567 20.549 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.043 20.019 22.886 1.00 49.72 H new ATOM 0 HB3 ASP A 52 33.971 20.173 21.407 1.00 49.72 H new ATOM 838 N GLY A 53 31.557 18.302 20.942 1.00 49.53 N ATOM 839 CA GLY A 53 31.471 17.001 20.255 1.00 49.98 C ATOM 840 C GLY A 53 30.267 16.776 19.401 1.00 50.51 C ATOM 841 O GLY A 53 30.209 15.799 18.621 1.00 49.49 O ATOM 0 H GLY A 53 31.429 18.230 21.951 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.358 16.885 19.632 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.506 16.214 21.009 1.00 49.98 H new ATOM 845 N ARG A 54 29.281 17.665 19.423 1.00 49.53 N ATOM 846 CA ARG A 54 28.094 17.550 18.552 1.00 50.07 C ATOM 847 C ARG A 54 28.284 17.936 17.092 1.00 50.51 C ATOM 848 O ARG A 54 29.346 18.471 16.708 1.00 49.49 O ATOM 849 CB ARG A 54 26.902 18.289 19.143 1.00 49.82 C ATOM 850 CG ARG A 54 26.402 17.736 20.468 1.00 49.82 C ATOM 851 CD ARG A 54 25.628 16.473 20.352 1.00 50.20 C ATOM 852 NE ARG A 54 25.173 15.927 21.621 1.00 49.30 N ATOM 853 CZ ARG A 54 24.437 14.807 21.751 1.00 50.64 C ATOM 854 NH1 ARG A 54 24.038 14.132 20.695 1.00 49.20 N ATOM 855 NH2 ARG A 54 24.104 14.416 22.969 1.00 49.20 N ATOM 0 H ARG A 54 29.271 18.481 20.034 1.00 49.53 H new ATOM 0 HA ARG A 54 27.903 16.477 18.527 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.173 19.336 19.281 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.084 18.264 18.423 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.257 17.565 21.123 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.777 18.488 20.949 1.00 49.82 H new ATOM 0 HD2 ARG A 54 24.761 16.650 19.715 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.245 15.728 19.850 1.00 50.20 H new ATOM 0 HE ARG A 54 25.429 16.428 22.472 1.00 49.30 H new ATOM 0 HH11 ARG A 54 24.286 14.455 19.760 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.481 13.285 20.811 1.00 49.20 H new ATOM 0 HH21 ARG A 54 24.404 14.959 23.779 1.00 49.20 H new ATOM 0 HH22 ARG A 54 23.547 13.572 23.099 1.00 49.20 H new ATOM 869 N THR A 55 27.252 17.767 16.303 1.00 49.53 N ATOM 870 CA THR A 55 27.233 18.143 14.871 1.00 50.07 C ATOM 871 C THR A 55 26.232 19.317 14.750 1.00 50.51 C ATOM 872 O THR A 55 25.443 19.554 15.657 1.00 49.49 O ATOM 873 CB THR A 55 26.789 16.979 13.966 1.00 50.14 C ATOM 874 OG1 THR A 55 25.513 16.492 14.401 1.00 49.34 O ATOM 875 CG2 THR A 55 27.803 15.846 14.019 1.00 49.73 C ATOM 0 H THR A 55 26.374 17.358 16.624 1.00 49.53 H new ATOM 0 HA THR A 55 28.236 18.416 14.543 1.00 50.07 H new ATOM 0 HB THR A 55 26.717 17.343 12.941 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.231 15.752 13.823 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.473 15.032 13.374 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.773 16.209 13.678 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.891 15.484 15.043 1.00 49.73 H new ATOM 883 N LEU A 56 26.295 20.002 13.626 1.00 49.53 N ATOM 884 CA LEU A 56 25.373 21.113 13.327 1.00 50.07 C ATOM 885 C LEU A 56 23.994 20.492 13.126 1.00 50.51 C ATOM 886 O LEU A 56 23.045 21.034 13.625 1.00 49.49 O ATOM 887 CB LEU A 56 25.825 21.876 12.075 1.00 49.82 C ATOM 888 CG LEU A 56 27.126 22.674 12.232 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.444 23.412 10.939 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.987 23.651 13.390 1.00 49.73 C ATOM 0 H LEU A 56 26.976 19.817 12.890 1.00 49.53 H new ATOM 0 HA LEU A 56 25.355 21.838 14.141 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.951 21.163 11.260 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.030 22.561 11.780 1.00 49.82 H new ATOM 0 HG LEU A 56 27.948 21.991 12.446 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.369 23.976 11.060 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.561 22.692 10.129 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.630 24.097 10.701 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.912 24.218 13.501 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.163 24.336 13.191 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.787 23.100 14.309 1.00 49.73 H new ATOM 902 N SER A 57 23.939 19.288 12.521 1.00 49.53 N ATOM 903 CA SER A 57 22.596 18.689 12.315 1.00 50.07 C ATOM 904 C SER A 57 21.912 18.345 13.620 1.00 50.51 C ATOM 905 O SER A 57 20.650 18.403 13.715 1.00 49.49 O ATOM 906 CB SER A 57 22.710 17.455 11.442 1.00 50.05 C ATOM 907 OG SER A 57 21.460 17.019 10.982 1.00 49.34 O ATOM 0 H SER A 57 24.735 18.744 12.188 1.00 49.53 H new ATOM 0 HA SER A 57 21.978 19.436 11.817 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.354 17.672 10.590 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.188 16.654 12.007 1.00 50.05 H new ATOM 0 HG SER A 57 21.577 16.223 10.422 1.00 49.34 H new ATOM 913 N ASP A 58 22.687 17.992 14.630 1.00 49.53 N ATOM 914 CA ASP A 58 22.118 17.638 15.957 1.00 50.07 C ATOM 915 C ASP A 58 21.082 18.663 16.426 1.00 50.51 C ATOM 916 O ASP A 58 20.157 18.370 17.190 1.00 49.49 O ATOM 917 CB ASP A 58 23.234 17.509 16.998 1.00 49.72 C ATOM 918 CG ASP A 58 23.980 16.183 16.959 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.629 15.349 16.159 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.989 16.072 17.615 1.00 49.24 O ATOM 0 H ASP A 58 23.704 17.937 14.577 1.00 49.53 H new ATOM 0 HA ASP A 58 21.612 16.679 15.848 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.949 18.318 16.849 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.805 17.641 17.991 1.00 49.72 H new ATOM 925 N TYR A 59 21.358 19.902 16.133 1.00 49.53 N ATOM 926 CA TYR A 59 20.501 21.037 16.470 1.00 50.07 C ATOM 927 C TYR A 59 19.591 21.452 15.336 1.00 50.51 C ATOM 928 O TYR A 59 18.683 22.270 15.589 1.00 49.49 O ATOM 929 CB TYR A 59 21.353 22.229 16.912 1.00 49.82 C ATOM 930 CG TYR A 59 22.094 22.006 18.212 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.443 22.129 19.430 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.441 21.676 18.216 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.114 21.927 20.620 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.122 21.471 19.400 1.00 49.88 C ATOM 935 CZ TYR A 59 23.454 21.598 20.602 1.00 50.11 C ATOM 936 OH TYR A 59 24.127 21.396 21.784 1.00 49.46 O ATOM 0 H TYR A 59 22.208 20.174 15.638 1.00 49.53 H new ATOM 0 HA TYR A 59 19.860 20.709 17.289 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.075 22.457 16.128 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.710 23.103 17.017 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.394 22.387 19.448 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.966 21.578 17.278 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.592 22.026 21.560 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.171 21.213 19.386 1.00 49.88 H new ATOM 0 HH TYR A 59 24.615 20.547 21.741 1.00 49.46 H new ATOM 946 N ASN A 60 19.751 20.979 14.119 1.00 49.53 N ATOM 947 CA ASN A 60 18.837 21.411 13.042 1.00 50.07 C ATOM 948 C ASN A 60 19.155 22.789 12.477 1.00 50.51 C ATOM 949 O ASN A 60 18.252 23.620 12.250 1.00 49.49 O ATOM 950 CB ASN A 60 17.392 21.369 13.505 1.00 49.82 C ATOM 951 CG ASN A 60 16.399 21.242 12.382 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.522 20.371 11.513 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.465 22.157 12.349 1.00 49.38 N ATOM 0 H ASN A 60 20.475 20.317 13.839 1.00 49.53 H new ATOM 0 HA ASN A 60 18.989 20.697 12.232 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.263 20.530 14.188 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.174 22.276 14.069 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.794 22.174 11.581 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.407 22.854 13.092 1.00 49.38 H new ATOM 960 N ILE A 61 20.413 23.033 12.170 1.00 49.53 N ATOM 961 CA ILE A 61 20.822 24.317 11.525 1.00 50.07 C ATOM 962 C ILE A 61 20.639 24.200 10.015 1.00 50.51 C ATOM 963 O ILE A 61 21.404 23.370 9.441 1.00 49.49 O ATOM 964 CB ILE A 61 22.286 24.675 11.839 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.444 25.019 13.322 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.749 25.832 10.968 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.875 24.976 13.809 1.00 49.73 C ATOM 0 H ILE A 61 21.180 22.384 12.344 1.00 49.53 H new ATOM 0 HA ILE A 61 20.192 25.112 11.925 1.00 50.07 H new ATOM 0 HB ILE A 61 22.910 23.809 11.618 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.039 26.015 13.499 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.848 24.323 13.912 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.786 26.072 11.203 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.671 25.551 9.918 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.123 26.704 11.158 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.907 25.231 14.868 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.278 23.974 13.665 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.473 25.692 13.245 1.00 49.73 H new ATOM 979 N GLN A 62 19.720 24.923 9.438 1.00 49.53 N ATOM 980 CA GLN A 62 19.402 24.846 7.983 1.00 50.07 C ATOM 981 C GLN A 62 19.763 26.184 7.331 1.00 50.51 C ATOM 982 O GLN A 62 20.403 27.031 7.978 1.00 49.49 O ATOM 983 CB GLN A 62 17.919 24.535 7.764 1.00 49.82 C ATOM 984 CG GLN A 62 17.547 23.082 8.001 1.00 49.82 C ATOM 985 CD GLN A 62 16.085 22.803 7.705 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.206 23.082 8.526 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.815 22.246 6.530 1.00 49.38 N ATOM 0 H GLN A 62 19.147 25.599 9.944 1.00 49.53 H new ATOM 0 HA GLN A 62 19.981 24.041 7.530 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.325 25.163 8.428 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.649 24.806 6.743 1.00 49.82 H new ATOM 0 HG2 GLN A 62 18.170 22.444 7.374 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.762 22.819 9.037 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.572 22.032 5.881 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.850 22.032 6.277 1.00 49.38 H new ATOM 996 N LYS A 63 19.391 26.377 6.068 1.00 49.53 N ATOM 997 CA LYS A 63 19.731 27.572 5.328 1.00 50.07 C ATOM 998 C LYS A 63 19.164 28.806 6.025 1.00 50.51 C ATOM 999 O LYS A 63 18.129 28.793 6.672 1.00 49.49 O ATOM 1000 CB LYS A 63 19.205 27.486 3.894 1.00 49.82 C ATOM 1001 CG LYS A 63 19.703 28.593 2.974 1.00 49.82 C ATOM 1002 CD LYS A 63 19.179 28.413 1.557 1.00 49.82 C ATOM 1003 CE LYS A 63 19.612 29.559 0.656 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.084 29.564 0.430 1.00 49.70 N ATOM 0 H LYS A 63 18.844 25.702 5.534 1.00 49.53 H new ATOM 0 HA LYS A 63 20.817 27.657 5.293 1.00 50.07 H new ATOM 0 HB2 LYS A 63 19.492 26.523 3.472 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.116 27.512 3.917 1.00 49.82 H new ATOM 0 HG2 LYS A 63 19.385 29.561 3.361 1.00 49.82 H new ATOM 0 HG3 LYS A 63 20.793 28.597 2.963 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.544 27.470 1.150 1.00 49.82 H new ATOM 0 HD3 LYS A 63 18.091 28.353 1.575 1.00 49.82 H new ATOM 0 HE2 LYS A 63 19.098 29.481 -0.302 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.310 30.506 1.103 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 21.324 30.285 -0.281 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.571 29.782 1.322 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.386 28.629 0.090 1.00 49.70 H new ATOM 1018 N GLU A 64 19.965 29.876 5.907 1.00 49.53 N ATOM 1019 CA GLU A 64 19.694 31.181 6.450 1.00 50.07 C ATOM 1020 C GLU A 64 19.665 31.346 7.940 1.00 50.51 C ATOM 1021 O GLU A 64 19.380 32.442 8.487 1.00 49.49 O ATOM 1022 CB GLU A 64 18.376 31.704 5.874 1.00 49.82 C ATOM 1023 CG GLU A 64 18.441 32.089 4.403 1.00 49.72 C ATOM 1024 CD GLU A 64 17.233 32.884 3.993 1.00 50.62 C ATOM 1025 OE1 GLU A 64 17.111 34.006 4.422 1.00 49.24 O ATOM 1026 OE2 GLU A 64 16.491 32.414 3.163 1.00 49.24 O ATOM 0 H GLU A 64 20.853 29.835 5.406 1.00 49.53 H new ATOM 0 HA GLU A 64 20.569 31.756 6.147 1.00 50.07 H new ATOM 0 HB2 GLU A 64 17.609 30.941 6.004 1.00 49.82 H new ATOM 0 HB3 GLU A 64 18.061 32.574 6.451 1.00 49.82 H new ATOM 0 HG2 GLU A 64 19.343 32.672 4.217 1.00 49.72 H new ATOM 0 HG3 GLU A 64 18.511 31.189 3.792 1.00 49.72 H new ATOM 1033 N SER A 65 20.104 30.301 8.624 1.00 49.53 N ATOM 1034 CA SER A 65 20.263 30.295 10.084 1.00 50.07 C ATOM 1035 C SER A 65 21.492 31.108 10.553 1.00 50.51 C ATOM 1036 O SER A 65 22.554 31.028 9.946 1.00 49.49 O ATOM 1037 CB SER A 65 20.360 28.868 10.585 1.00 50.05 C ATOM 1038 OG SER A 65 19.119 28.215 10.562 1.00 49.34 O ATOM 0 H SER A 65 20.365 29.419 8.183 1.00 49.53 H new ATOM 0 HA SER A 65 19.382 30.778 10.507 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.071 28.316 9.970 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.751 28.867 11.603 1.00 50.05 H new ATOM 0 HG SER A 65 19.071 27.632 9.776 1.00 49.34 H new ATOM 1044 N THR A 66 21.334 31.864 11.607 1.00 49.53 N ATOM 1045 CA THR A 66 22.436 32.621 12.213 1.00 50.07 C ATOM 1046 C THR A 66 22.868 32.142 13.598 1.00 50.51 C ATOM 1047 O THR A 66 21.978 31.820 14.417 1.00 49.49 O ATOM 1048 CB THR A 66 22.086 34.118 12.306 1.00 50.14 C ATOM 1049 OG1 THR A 66 21.859 34.642 10.991 1.00 49.34 O ATOM 1050 CG2 THR A 66 23.219 34.890 12.967 1.00 49.73 C ATOM 0 H THR A 66 20.440 31.983 12.083 1.00 49.53 H new ATOM 0 HA THR A 66 23.278 32.448 11.542 1.00 50.07 H new ATOM 0 HB THR A 66 21.184 34.228 12.908 1.00 50.14 H new ATOM 0 HG1 THR A 66 21.635 35.594 11.052 1.00 49.34 H new ATOM 0 HG21 THR A 66 22.955 35.946 13.024 1.00 49.73 H new ATOM 0 HG22 THR A 66 23.386 34.502 13.972 1.00 49.73 H new ATOM 0 HG23 THR A 66 24.129 34.775 12.378 1.00 49.73 H new ATOM 1058 N LEU A 67 24.168 31.898 13.793 1.00 49.53 N ATOM 1059 CA LEU A 67 24.662 31.540 15.128 1.00 50.07 C ATOM 1060 C LEU A 67 25.355 32.783 15.725 1.00 50.51 C ATOM 1061 O LEU A 67 26.033 33.437 14.915 1.00 49.49 O ATOM 1062 CB LEU A 67 25.633 30.355 15.047 1.00 49.82 C ATOM 1063 CG LEU A 67 25.010 29.030 14.591 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.087 27.962 14.467 1.00 49.73 C ATOM 1065 CD2 LEU A 67 23.938 28.604 15.583 1.00 49.73 C ATOM 0 H LEU A 67 24.881 31.940 13.065 1.00 49.53 H new ATOM 0 HA LEU A 67 23.834 31.232 15.767 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.440 30.613 14.361 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.084 30.207 16.028 1.00 49.82 H new ATOM 0 HG LEU A 67 24.548 29.163 13.612 1.00 49.91 H new ATOM 0 HD11 LEU A 67 25.635 27.025 14.143 1.00 49.73 H new ATOM 0 HD12 LEU A 67 26.831 28.278 13.735 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.568 27.817 15.434 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.496 27.662 15.258 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.385 28.474 16.569 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.164 29.370 15.634 1.00 49.73 H new ATOM 1077 N HIS A 68 25.157 33.045 16.966 1.00 49.53 N ATOM 1078 CA HIS A 68 25.843 34.203 17.586 1.00 50.07 C ATOM 1079 C HIS A 68 27.093 33.652 18.268 1.00 50.51 C ATOM 1080 O HIS A 68 27.061 32.558 18.872 1.00 49.49 O ATOM 1081 CB HIS A 68 24.938 34.914 18.598 1.00 49.92 C ATOM 1082 CG HIS A 68 23.724 35.537 17.984 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.252 36.777 18.363 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.883 35.094 17.020 1.00 49.95 C ATOM 1085 CE1 HIS A 68 22.174 37.069 17.656 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.930 36.065 16.835 1.00 49.64 N ATOM 0 H HIS A 68 24.550 32.511 17.588 1.00 49.53 H new ATOM 0 HA HIS A 68 26.100 34.946 16.831 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.624 34.198 19.357 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.514 35.687 19.108 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.949 34.153 16.495 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.592 37.975 17.737 1.00 50.25 H new ATOM 0 HE2 HIS A 68 21.158 36.018 16.170 1.00 49.64 H new ATOM 1094 N LEU A 69 28.174 34.413 18.232 1.00 49.53 N ATOM 1095 CA LEU A 69 29.411 34.036 18.908 1.00 50.07 C ATOM 1096 C LEU A 69 29.717 34.915 20.083 1.00 50.51 C ATOM 1097 O LEU A 69 29.870 36.169 19.866 1.00 49.49 O ATOM 1098 CB LEU A 69 30.580 34.060 17.914 1.00 49.82 C ATOM 1099 CG LEU A 69 31.908 33.514 18.455 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.757 32.041 18.814 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.999 33.706 17.413 1.00 49.73 C ATOM 0 H LEU A 69 28.223 35.304 17.738 1.00 49.53 H new ATOM 0 HA LEU A 69 29.272 33.025 19.292 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.299 33.482 17.034 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.735 35.087 17.585 1.00 49.82 H new ATOM 0 HG LEU A 69 32.186 34.059 19.357 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.704 31.661 19.197 1.00 49.73 H new ATOM 0 HD12 LEU A 69 30.986 31.930 19.576 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.473 31.477 17.925 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.942 33.318 17.798 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.731 33.170 16.502 1.00 49.73 H new ATOM 0 HD23 LEU A 69 33.107 34.768 17.191 1.00 49.73 H new ATOM 1113 N VAL A 70 29.736 34.406 21.273 1.00 49.53 N ATOM 1114 CA VAL A 70 30.141 35.216 22.457 1.00 50.07 C ATOM 1115 C VAL A 70 31.592 34.904 22.851 1.00 50.51 C ATOM 1116 O VAL A 70 32.022 33.735 22.717 1.00 49.49 O ATOM 1117 CB VAL A 70 29.221 34.954 23.665 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.779 35.621 24.914 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.813 35.455 23.380 1.00 49.73 C ATOM 0 H VAL A 70 29.483 33.441 21.486 1.00 49.53 H new ATOM 0 HA VAL A 70 30.054 36.265 22.175 1.00 50.07 H new ATOM 0 HB VAL A 70 29.177 33.879 23.838 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.117 35.426 25.757 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.769 35.219 25.129 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.851 36.696 24.751 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.176 35.262 24.243 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.841 36.527 23.182 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.411 34.936 22.510 1.00 49.73 H new ATOM 1129 N LEU A 71 32.330 35.899 23.287 1.00 49.53 N ATOM 1130 CA LEU A 71 33.728 35.679 23.718 1.00 50.07 C ATOM 1131 C LEU A 71 33.984 35.610 25.200 1.00 50.51 C ATOM 1132 O LEU A 71 34.078 36.646 25.889 1.00 49.49 O ATOM 1133 CB LEU A 71 34.623 36.762 23.102 1.00 49.82 C ATOM 1134 CG LEU A 71 34.504 36.921 21.581 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.362 38.086 21.109 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.927 35.628 20.900 1.00 49.73 C ATOM 0 H LEU A 71 32.008 36.864 23.359 1.00 49.53 H new ATOM 0 HA LEU A 71 33.965 34.678 23.357 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.385 37.717 23.571 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.661 36.536 23.347 1.00 49.82 H new ATOM 0 HG LEU A 71 33.468 37.133 21.317 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.271 38.191 20.028 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.027 39.004 21.592 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.404 37.899 21.369 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.842 35.741 19.819 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.961 35.401 21.161 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.282 34.814 21.231 1.00 49.73 H new ATOM 1148 N ARG A 72 34.165 34.451 25.714 1.00 49.53 N ATOM 1149 CA ARG A 72 34.485 34.229 27.140 1.00 50.07 C ATOM 1150 C ARG A 72 35.930 34.623 27.440 1.00 50.51 C ATOM 1151 O ARG A 72 36.777 33.750 27.071 1.00 49.49 O ATOM 1152 CB ARG A 72 34.192 32.803 27.580 1.00 49.82 C ATOM 1153 CG ARG A 72 34.395 32.537 29.064 1.00 49.82 C ATOM 1154 CD ARG A 72 33.378 33.168 29.944 1.00 50.20 C ATOM 1155 NE ARG A 72 33.514 32.839 31.354 1.00 49.30 N ATOM 1156 CZ ARG A 72 32.838 33.444 32.349 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.007 34.433 32.101 1.00 49.20 N ATOM 1158 NH2 ARG A 72 33.048 33.034 33.588 1.00 49.20 N ATOM 0 H ARG A 72 34.101 33.589 25.173 1.00 49.53 H new ATOM 0 HA ARG A 72 33.830 34.875 27.724 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.161 32.562 27.320 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.830 32.125 27.013 1.00 49.82 H new ATOM 0 HG2 ARG A 72 34.386 31.460 29.232 1.00 49.82 H new ATOM 0 HG3 ARG A 72 35.382 32.897 29.354 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.437 34.250 29.829 1.00 50.20 H new ATOM 0 HD3 ARG A 72 32.386 32.866 29.607 1.00 50.20 H new ATOM 0 HE ARG A 72 34.167 32.098 31.607 1.00 49.30 H new ATOM 0 HH11 ARG A 72 31.867 34.753 31.143 1.00 49.20 H new ATOM 0 HH12 ARG A 72 31.503 34.880 32.867 1.00 49.20 H new ATOM 0 HH21 ARG A 72 33.708 32.278 33.770 1.00 49.20 H new ATOM 0 HH22 ARG A 72 32.550 33.474 34.362 1.00 49.20 H new ATOM 1172 N LEU A 73 36.203 35.749 28.013 1.00 49.53 N ATOM 1173 CA LEU A 73 37.614 36.122 28.282 1.00 50.07 C ATOM 1174 C LEU A 73 38.327 35.111 29.170 1.00 50.51 C ATOM 1175 O LEU A 73 37.692 34.266 29.821 1.00 49.49 O ATOM 1176 CB LEU A 73 37.676 37.517 28.917 1.00 49.82 C ATOM 1177 CG LEU A 73 37.276 38.673 27.992 1.00 49.91 C ATOM 1178 CD1 LEU A 73 37.290 39.986 28.762 1.00 49.73 C ATOM 1179 CD2 LEU A 73 38.231 38.731 26.809 1.00 49.73 C ATOM 0 H LEU A 73 35.508 36.434 28.310 1.00 49.53 H new ATOM 0 HA LEU A 73 38.133 36.129 27.324 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.025 37.530 29.791 1.00 49.82 H new ATOM 0 HB3 LEU A 73 38.691 37.692 29.273 1.00 49.82 H new ATOM 0 HG LEU A 73 36.265 38.508 27.619 1.00 49.91 H new ATOM 0 HD11 LEU A 73 37.005 40.801 28.097 1.00 49.73 H new ATOM 0 HD12 LEU A 73 36.584 39.930 29.590 1.00 49.73 H new ATOM 0 HD13 LEU A 73 38.292 40.169 29.151 1.00 49.73 H new ATOM 0 HD21 LEU A 73 37.947 39.553 26.152 1.00 49.73 H new ATOM 0 HD22 LEU A 73 39.247 38.890 27.169 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.184 37.792 26.257 1.00 49.73 H new ATOM 1191 N ARG A 74 39.645 35.218 29.149 1.00 49.53 N ATOM 1192 CA ARG A 74 40.519 34.330 29.931 1.00 50.07 C ATOM 1193 C ARG A 74 41.448 35.247 30.723 1.00 50.51 C ATOM 1194 O ARG A 74 42.624 35.430 30.360 1.00 49.49 O ATOM 1195 CB ARG A 74 41.281 33.334 29.069 1.00 49.82 C ATOM 1196 CG ARG A 74 40.447 32.179 28.538 1.00 49.82 C ATOM 1197 CD ARG A 74 40.162 31.119 29.539 1.00 50.20 C ATOM 1198 NE ARG A 74 41.332 30.377 29.980 1.00 49.30 N ATOM 1199 CZ ARG A 74 41.370 29.586 31.071 1.00 50.64 C ATOM 1200 NH1 ARG A 74 40.321 29.462 31.854 1.00 49.20 N ATOM 1201 NH2 ARG A 74 42.499 28.958 31.348 1.00 49.20 N ATOM 0 H ARG A 74 40.146 35.914 28.597 1.00 49.53 H new ATOM 0 HA ARG A 74 39.928 33.699 30.595 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.718 33.866 28.224 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.108 32.928 29.652 1.00 49.82 H new ATOM 0 HG2 ARG A 74 39.502 32.571 28.163 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.966 31.732 27.690 1.00 49.82 H new ATOM 0 HD2 ARG A 74 39.688 31.575 30.408 1.00 50.20 H new ATOM 0 HD3 ARG A 74 39.442 30.419 29.114 1.00 50.20 H new ATOM 0 HE ARG A 74 42.184 30.461 29.425 1.00 49.30 H new ATOM 0 HH11 ARG A 74 39.462 29.968 31.640 1.00 49.20 H new ATOM 0 HH12 ARG A 74 40.366 28.859 32.676 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.311 29.079 30.743 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.558 28.353 32.167 1.00 49.20 H new ATOM 1215 N GLY A 75 40.875 35.857 31.754 1.00 49.53 N ATOM 1216 CA GLY A 75 41.590 36.762 32.643 1.00 49.98 C ATOM 1217 C GLY A 75 40.718 37.994 32.783 1.00 50.51 C ATOM 1218 O GLY A 75 40.380 38.681 31.803 1.00 49.49 O ATOM 0 H GLY A 75 39.892 35.736 31.998 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.765 36.297 33.613 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.566 37.021 32.232 1.00 49.98 H new ATOM 1222 N GLY A 76 40.543 38.382 34.032 1.00 49.53 N ATOM 1223 CA GLY A 76 39.755 39.553 34.442 1.00 49.98 C ATOM 1224 C GLY A 76 39.422 39.681 35.938 1.00 50.51 C ATOM 1225 O GLY A 76 38.312 40.174 36.217 1.00 49.49 O ATOM 0 H GLY A 76 40.953 37.883 34.821 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.296 40.449 34.137 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.818 39.542 33.886 1.00 49.98 H new TER 1229 GLY A 76