USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot -59:sc= 2.25 USER MOD Set 1.2: A 57 SER OG : rot -43:sc= 1.16 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.707 X(o=-0.71,f=-0.8) USER MOD Set 3.1: A 7 THR OG1 : rot -70:sc= 0.812 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0175 (180deg=-0.295) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.398 (180deg=0.232) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0201 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0.832 (180deg=0.333) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0217) USER MOD Single : A 40 GLN : amide:sc= -0.472 K(o=-0.47,f=-1.7!) USER MOD Single : A 41 GLN : amide:sc= -0.783 K(o=-0.78,f=-5.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 59 TYR OH : rot 110:sc= -0.0553 USER MOD Single : A 60 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.89) USER MOD Single : A 62 GLN : amide:sc= -2.05! C(o=-2.1!,f=-6.3!) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0127) USER MOD Single : A 65 SER OG : rot 98:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 27:sc= 0.0858 USER MOD Single : A 68 HIS : no HE2:sc= 0.026 K(o=0.026,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.474 24.646 2.434 1.00 49.53 N ATOM 2 CA MET A 1 26.393 25.626 2.646 1.00 50.07 C ATOM 3 C MET A 1 27.028 26.908 3.236 1.00 50.51 C ATOM 4 O MET A 1 28.179 26.856 3.668 1.00 49.49 O ATOM 5 CB MET A 1 25.331 25.062 3.587 1.00 49.82 C ATOM 6 CG MET A 1 24.731 23.736 3.139 1.00 49.86 C ATOM 7 SD MET A 1 23.474 23.122 4.276 1.00 49.91 S ATOM 8 CE MET A 1 22.152 24.294 3.984 1.00 49.78 C ATOM 0 H1 MET A 1 27.102 23.826 1.914 1.00 49.53 H new ATOM 0 H2 MET A 1 28.239 25.087 1.884 1.00 49.53 H new ATOM 0 H3 MET A 1 27.845 24.333 3.354 1.00 49.53 H new ATOM 0 HA MET A 1 25.898 25.853 1.702 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.772 24.932 4.575 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.529 25.793 3.689 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.292 23.857 2.149 1.00 49.86 H new ATOM 0 HG3 MET A 1 25.525 22.995 3.047 1.00 49.86 H new ATOM 0 HE1 MET A 1 21.223 23.906 4.402 1.00 49.78 H new ATOM 0 HE2 MET A 1 22.396 25.243 4.461 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.032 24.447 2.912 1.00 49.78 H new ATOM 18 N GLN A 2 26.247 27.947 3.218 1.00 49.53 N ATOM 19 CA GLN A 2 26.739 29.235 3.798 1.00 50.07 C ATOM 20 C GLN A 2 25.914 29.462 5.055 1.00 50.51 C ATOM 21 O GLN A 2 24.666 29.270 5.098 1.00 49.49 O ATOM 22 CB GLN A 2 26.557 30.394 2.813 1.00 49.82 C ATOM 23 CG GLN A 2 27.382 30.268 1.544 1.00 49.82 C ATOM 24 CD GLN A 2 26.978 31.279 0.489 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.948 31.127 -0.175 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.788 32.318 0.324 1.00 49.38 N ATOM 0 H GLN A 2 25.302 27.968 2.834 1.00 49.53 H new ATOM 0 HA GLN A 2 27.806 29.187 4.018 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.503 30.464 2.543 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.820 31.326 3.313 1.00 49.82 H new ATOM 0 HG2 GLN A 2 28.437 30.400 1.785 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.271 29.262 1.140 1.00 49.82 H new ATOM 0 HE21 GLN A 2 28.629 32.405 0.894 1.00 49.38 H new ATOM 0 HE22 GLN A 2 27.569 33.030 -0.373 1.00 49.38 H new ATOM 35 N ILE A 3 26.606 29.820 6.126 1.00 49.53 N ATOM 36 CA ILE A 3 25.923 30.214 7.373 1.00 50.07 C ATOM 37 C ILE A 3 26.306 31.688 7.699 1.00 50.51 C ATOM 38 O ILE A 3 27.291 32.122 7.126 1.00 49.49 O ATOM 39 CB ILE A 3 26.311 29.306 8.553 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.818 29.382 8.814 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.888 27.870 8.282 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.233 28.851 10.167 1.00 49.73 C ATOM 0 H ILE A 3 27.625 29.850 6.169 1.00 49.53 H new ATOM 0 HA ILE A 3 24.848 30.114 7.226 1.00 50.07 H new ATOM 0 HB ILE A 3 25.789 29.656 9.444 1.00 49.91 H new ATOM 0 HG12 ILE A 3 28.340 28.821 8.039 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.140 30.420 8.728 1.00 49.82 H new ATOM 0 HG21 ILE A 3 26.170 27.242 9.127 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.808 27.829 8.144 1.00 49.73 H new ATOM 0 HG23 ILE A 3 26.383 27.509 7.380 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.314 28.939 10.276 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.741 29.427 10.951 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.944 27.803 10.251 1.00 49.73 H new ATOM 54 N PHE A 4 25.494 32.264 8.552 1.00 49.53 N ATOM 55 CA PHE A 4 25.793 33.695 8.937 1.00 50.07 C ATOM 56 C PHE A 4 26.193 33.781 10.384 1.00 50.51 C ATOM 57 O PHE A 4 25.361 33.370 11.206 1.00 49.49 O ATOM 58 CB PHE A 4 24.580 34.588 8.670 1.00 49.82 C ATOM 59 CG PHE A 4 24.227 34.711 7.214 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.001 35.482 6.360 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.120 34.055 6.697 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.677 35.598 5.023 1.00 49.88 C ATOM 63 CE2 PHE A 4 22.794 34.167 5.359 1.00 49.88 C ATOM 64 CZ PHE A 4 23.573 34.938 4.522 1.00 49.88 C ATOM 0 H PHE A 4 24.674 31.838 8.985 1.00 49.53 H new ATOM 0 HA PHE A 4 26.624 34.046 8.325 1.00 50.07 H new ATOM 0 HB2 PHE A 4 23.721 34.190 9.210 1.00 49.82 H new ATOM 0 HB3 PHE A 4 24.777 35.582 9.072 1.00 49.82 H new ATOM 0 HD1 PHE A 4 25.868 35.998 6.745 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.506 33.450 7.347 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.287 36.205 4.370 1.00 49.88 H new ATOM 0 HE2 PHE A 4 21.929 33.651 4.969 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.320 35.025 3.476 1.00 49.88 H new ATOM 74 N VAL A 5 27.354 34.319 10.739 1.00 49.53 N ATOM 75 CA VAL A 5 27.727 34.496 12.129 1.00 50.07 C ATOM 76 C VAL A 5 27.750 35.925 12.723 1.00 50.51 C ATOM 77 O VAL A 5 28.618 36.651 12.224 1.00 49.49 O ATOM 78 CB VAL A 5 29.104 33.861 12.395 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.455 33.950 13.872 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.122 32.412 11.931 1.00 49.73 C ATOM 0 H VAL A 5 28.056 34.641 10.073 1.00 49.53 H new ATOM 0 HA VAL A 5 26.900 34.003 12.639 1.00 50.07 H new ATOM 0 HB VAL A 5 29.853 34.414 11.828 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.431 33.496 14.042 1.00 49.73 H new ATOM 0 HG12 VAL A 5 29.483 34.996 14.177 1.00 49.73 H new ATOM 0 HG13 VAL A 5 28.703 33.421 14.457 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.103 31.979 12.127 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.362 31.847 12.471 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.914 32.370 10.862 1.00 49.73 H new ATOM 90 N LYS A 6 26.863 36.206 13.615 1.00 49.53 N ATOM 91 CA LYS A 6 26.793 37.586 14.209 1.00 50.07 C ATOM 92 C LYS A 6 27.814 37.601 15.313 1.00 50.51 C ATOM 93 O LYS A 6 27.873 36.656 16.133 1.00 49.49 O ATOM 94 CB LYS A 6 25.394 37.889 14.747 1.00 49.82 C ATOM 95 CG LYS A 6 25.141 39.360 15.049 1.00 49.82 C ATOM 96 CD LYS A 6 23.678 39.615 15.378 1.00 49.82 C ATOM 97 CE LYS A 6 23.330 39.123 16.775 1.00 50.21 C ATOM 98 NZ LYS A 6 21.933 39.469 17.155 1.00 49.70 N ATOM 0 H LYS A 6 26.171 35.547 13.972 1.00 49.53 H new ATOM 0 HA LYS A 6 26.998 38.353 13.462 1.00 50.07 H new ATOM 0 HB2 LYS A 6 24.657 37.548 14.020 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.235 37.311 15.657 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.764 39.673 15.887 1.00 49.82 H new ATOM 0 HG3 LYS A 6 25.433 39.965 14.191 1.00 49.82 H new ATOM 0 HD2 LYS A 6 23.467 40.682 15.303 1.00 49.82 H new ATOM 0 HD3 LYS A 6 23.046 39.113 14.646 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.462 38.042 16.822 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.021 39.560 17.496 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.736 39.116 18.113 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 21.814 40.502 17.135 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 21.272 39.031 16.482 1.00 49.70 H new ATOM 112 N THR A 7 28.637 38.672 15.378 1.00 49.53 N ATOM 113 CA THR A 7 29.660 38.754 16.432 1.00 50.07 C ATOM 114 C THR A 7 29.345 39.931 17.358 1.00 50.51 C ATOM 115 O THR A 7 28.468 40.722 17.004 1.00 49.49 O ATOM 116 CB THR A 7 31.073 38.930 15.845 1.00 50.14 C ATOM 117 OG1 THR A 7 31.215 40.258 15.323 1.00 49.34 O ATOM 118 CG2 THR A 7 31.318 37.923 14.732 1.00 49.73 C ATOM 0 H THR A 7 28.613 39.463 14.735 1.00 49.53 H new ATOM 0 HA THR A 7 29.642 37.817 16.989 1.00 50.07 H new ATOM 0 HB THR A 7 31.802 38.764 16.638 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.661 40.355 14.521 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.321 38.063 14.329 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.224 36.912 15.129 1.00 49.73 H new ATOM 0 HG23 THR A 7 30.585 38.072 13.939 1.00 49.73 H new ATOM 126 N LEU A 8 30.056 40.060 18.457 1.00 49.53 N ATOM 127 CA LEU A 8 29.781 41.147 19.424 1.00 50.07 C ATOM 128 C LEU A 8 30.067 42.491 18.786 1.00 50.51 C ATOM 129 O LEU A 8 29.378 43.481 19.103 1.00 49.49 O ATOM 130 CB LEU A 8 30.624 40.960 20.692 1.00 49.82 C ATOM 131 CG LEU A 8 30.219 39.775 21.576 1.00 49.91 C ATOM 132 CD1 LEU A 8 31.301 39.502 22.613 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.888 40.075 22.251 1.00 49.73 C ATOM 0 H LEU A 8 30.825 39.443 18.718 1.00 49.53 H new ATOM 0 HA LEU A 8 28.729 41.112 19.706 1.00 50.07 H new ATOM 0 HB2 LEU A 8 31.667 40.836 20.401 1.00 49.82 H new ATOM 0 HB3 LEU A 8 30.566 41.872 21.286 1.00 49.82 H new ATOM 0 HG LEU A 8 30.106 38.884 20.959 1.00 49.91 H new ATOM 0 HD11 LEU A 8 31.003 38.658 23.236 1.00 49.73 H new ATOM 0 HD12 LEU A 8 32.238 39.268 22.108 1.00 49.73 H new ATOM 0 HD13 LEU A 8 31.437 40.384 23.238 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.601 39.232 22.879 1.00 49.73 H new ATOM 0 HD22 LEU A 8 28.985 40.970 22.866 1.00 49.73 H new ATOM 0 HD23 LEU A 8 28.124 40.239 21.491 1.00 49.73 H new ATOM 145 N THR A 9 31.049 42.552 17.866 1.00 49.53 N ATOM 146 CA THR A 9 31.293 43.905 17.262 1.00 50.07 C ATOM 147 C THR A 9 30.263 44.339 16.264 1.00 50.51 C ATOM 148 O THR A 9 30.356 45.422 15.655 1.00 49.49 O ATOM 149 CB THR A 9 32.678 43.968 16.591 1.00 50.14 C ATOM 150 OG1 THR A 9 32.822 42.867 15.684 1.00 49.34 O ATOM 151 CG2 THR A 9 33.781 43.905 17.636 1.00 49.73 C ATOM 0 H THR A 9 31.636 41.783 17.542 1.00 49.53 H new ATOM 0 HA THR A 9 31.234 44.593 18.105 1.00 50.07 H new ATOM 0 HB THR A 9 32.759 44.910 16.048 1.00 50.14 H new ATOM 0 HG1 THR A 9 33.703 42.909 15.256 1.00 49.34 H new ATOM 0 HG21 THR A 9 34.752 43.951 17.143 1.00 49.73 H new ATOM 0 HG22 THR A 9 33.682 44.747 18.321 1.00 49.73 H new ATOM 0 HG23 THR A 9 33.701 42.972 18.194 1.00 49.73 H new ATOM 159 N GLY A 10 29.300 43.516 15.987 1.00 49.53 N ATOM 160 CA GLY A 10 28.239 43.804 15.049 1.00 49.98 C ATOM 161 C GLY A 10 28.703 43.452 13.667 1.00 50.51 C ATOM 162 O GLY A 10 27.877 43.322 12.736 1.00 49.49 O ATOM 0 H GLY A 10 29.221 42.594 16.416 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.346 43.233 15.303 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.968 44.859 15.098 1.00 49.98 H new ATOM 166 N LYS A 11 29.898 42.927 13.573 1.00 49.53 N ATOM 167 CA LYS A 11 30.440 42.437 12.313 1.00 50.07 C ATOM 168 C LYS A 11 29.763 41.079 12.014 1.00 50.51 C ATOM 169 O LYS A 11 29.565 40.337 12.969 1.00 49.49 O ATOM 170 CB LYS A 11 31.959 42.280 12.392 1.00 49.82 C ATOM 171 CG LYS A 11 32.665 42.298 11.043 1.00 49.82 C ATOM 172 CD LYS A 11 34.143 41.969 11.187 1.00 49.82 C ATOM 173 CE LYS A 11 34.900 43.102 11.866 1.00 50.21 C ATOM 174 NZ LYS A 11 36.357 42.814 11.970 1.00 49.70 N ATOM 0 H LYS A 11 30.531 42.823 14.366 1.00 49.53 H new ATOM 0 HA LYS A 11 30.237 43.149 11.513 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.363 43.082 13.010 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.189 41.341 12.896 1.00 49.82 H new ATOM 0 HG2 LYS A 11 32.194 41.578 10.374 1.00 49.82 H new ATOM 0 HG3 LYS A 11 32.552 43.280 10.584 1.00 49.82 H new ATOM 0 HD2 LYS A 11 34.259 41.053 11.767 1.00 49.82 H new ATOM 0 HD3 LYS A 11 34.573 41.780 10.203 1.00 49.82 H new ATOM 0 HE2 LYS A 11 34.752 44.025 11.305 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.490 43.266 12.863 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 36.836 43.610 12.438 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 36.501 41.948 12.527 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 36.754 42.683 11.018 1.00 49.70 H new ATOM 188 N THR A 12 29.501 40.820 10.746 1.00 49.53 N ATOM 189 CA THR A 12 28.935 39.498 10.419 1.00 50.07 C ATOM 190 C THR A 12 29.925 38.685 9.587 1.00 50.51 C ATOM 191 O THR A 12 30.138 39.088 8.441 1.00 49.49 O ATOM 192 CB THR A 12 27.608 39.623 9.647 1.00 50.14 C ATOM 193 OG1 THR A 12 26.694 40.438 10.392 1.00 49.34 O ATOM 194 CG2 THR A 12 26.991 38.251 9.421 1.00 49.73 C ATOM 0 H THR A 12 29.654 41.453 9.961 1.00 49.53 H new ATOM 0 HA THR A 12 28.740 38.988 11.362 1.00 50.07 H new ATOM 0 HB THR A 12 27.810 40.083 8.679 1.00 50.14 H new ATOM 0 HG1 THR A 12 25.851 40.518 9.899 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.054 38.359 8.874 1.00 49.73 H new ATOM 0 HG22 THR A 12 27.679 37.633 8.844 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.797 37.776 10.383 1.00 49.73 H new ATOM 202 N ILE A 13 30.451 37.615 10.183 1.00 49.53 N ATOM 203 CA ILE A 13 31.411 36.831 9.351 1.00 50.07 C ATOM 204 C ILE A 13 30.798 35.627 8.691 1.00 50.51 C ATOM 205 O ILE A 13 29.873 35.013 9.257 1.00 49.49 O ATOM 206 CB ILE A 13 32.621 36.372 10.185 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.502 37.569 10.551 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.425 35.328 9.426 1.00 49.73 C ATOM 209 CD1 ILE A 13 34.572 37.251 11.570 1.00 49.73 C ATOM 0 H ILE A 13 30.269 37.283 11.130 1.00 49.53 H new ATOM 0 HA ILE A 13 31.727 37.515 8.564 1.00 50.07 H new ATOM 0 HB ILE A 13 32.255 35.920 11.107 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.977 37.949 9.646 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.870 38.368 10.939 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.277 35.015 10.030 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.793 34.465 9.214 1.00 49.73 H new ATOM 0 HG23 ILE A 13 33.782 35.755 8.489 1.00 49.73 H new ATOM 0 HD11 ILE A 13 35.155 38.148 11.778 1.00 49.73 H new ATOM 0 HD12 ILE A 13 34.105 36.900 12.490 1.00 49.73 H new ATOM 0 HD13 ILE A 13 35.229 36.475 11.178 1.00 49.73 H new ATOM 221 N THR A 14 31.202 35.316 7.480 1.00 49.53 N ATOM 222 CA THR A 14 30.615 34.093 6.856 1.00 50.07 C ATOM 223 C THR A 14 31.613 32.967 6.778 1.00 50.51 C ATOM 224 O THR A 14 32.820 33.207 6.513 1.00 49.49 O ATOM 225 CB THR A 14 30.081 34.385 5.441 1.00 50.14 C ATOM 226 OG1 THR A 14 28.946 35.256 5.528 1.00 49.34 O ATOM 227 CG2 THR A 14 29.673 33.094 4.748 1.00 49.73 C ATOM 0 H THR A 14 31.882 35.831 6.920 1.00 49.53 H new ATOM 0 HA THR A 14 29.789 33.789 7.499 1.00 50.07 H new ATOM 0 HB THR A 14 30.871 34.862 4.861 1.00 50.14 H new ATOM 0 HG1 THR A 14 28.607 35.443 4.628 1.00 49.34 H new ATOM 0 HG21 THR A 14 29.298 33.320 3.750 1.00 49.73 H new ATOM 0 HG22 THR A 14 30.537 32.434 4.671 1.00 49.73 H new ATOM 0 HG23 THR A 14 28.891 32.602 5.326 1.00 49.73 H new ATOM 235 N LEU A 15 31.179 31.727 6.943 1.00 49.53 N ATOM 236 CA LEU A 15 32.066 30.585 6.900 1.00 50.07 C ATOM 237 C LEU A 15 31.365 29.436 6.167 1.00 50.51 C ATOM 238 O LEU A 15 30.287 29.094 6.634 1.00 49.49 O ATOM 239 CB LEU A 15 32.467 30.162 8.318 1.00 49.82 C ATOM 240 CG LEU A 15 33.158 28.796 8.422 1.00 49.91 C ATOM 241 CD1 LEU A 15 34.604 28.907 7.958 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.089 28.298 9.858 1.00 49.73 C ATOM 0 H LEU A 15 30.201 31.489 7.110 1.00 49.53 H new ATOM 0 HA LEU A 15 32.977 30.851 6.364 1.00 50.07 H new ATOM 0 HB2 LEU A 15 33.132 30.920 8.731 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.573 30.148 8.942 1.00 49.82 H new ATOM 0 HG LEU A 15 32.647 28.080 7.779 1.00 49.91 H new ATOM 0 HD11 LEU A 15 35.087 27.933 8.035 1.00 49.73 H new ATOM 0 HD12 LEU A 15 34.629 29.243 6.921 1.00 49.73 H new ATOM 0 HD13 LEU A 15 35.133 29.625 8.585 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.580 27.328 9.931 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.591 29.009 10.514 1.00 49.73 H new ATOM 0 HD23 LEU A 15 32.046 28.200 10.159 1.00 49.73 H new ATOM 254 N GLU A 16 32.059 28.881 5.202 1.00 49.53 N ATOM 255 CA GLU A 16 31.473 27.666 4.548 1.00 50.07 C ATOM 256 C GLU A 16 31.650 26.486 5.481 1.00 50.51 C ATOM 257 O GLU A 16 32.619 26.462 6.238 1.00 49.49 O ATOM 258 CB GLU A 16 32.146 27.393 3.201 1.00 49.82 C ATOM 259 CG GLU A 16 31.673 26.123 2.507 1.00 49.72 C ATOM 260 CD GLU A 16 32.389 25.913 1.203 1.00 50.62 C ATOM 261 OE1 GLU A 16 32.308 26.772 0.357 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.110 24.950 1.092 1.00 49.24 O ATOM 0 H GLU A 16 32.963 29.196 4.851 1.00 49.53 H new ATOM 0 HA GLU A 16 30.413 27.830 4.356 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.967 28.242 2.541 1.00 49.82 H new ATOM 0 HB3 GLU A 16 33.223 27.329 3.353 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.842 25.266 3.159 1.00 49.72 H new ATOM 0 HG3 GLU A 16 30.599 26.182 2.329 1.00 49.72 H new ATOM 269 N VAL A 17 30.632 25.641 5.441 1.00 49.53 N ATOM 270 CA VAL A 17 30.576 24.458 6.292 1.00 50.07 C ATOM 271 C VAL A 17 29.812 23.303 5.628 1.00 50.51 C ATOM 272 O VAL A 17 29.245 23.440 4.519 1.00 49.49 O ATOM 273 CB VAL A 17 29.920 24.775 7.650 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.801 25.711 8.462 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.541 25.384 7.447 1.00 49.73 C ATOM 0 H VAL A 17 29.827 25.752 4.824 1.00 49.53 H new ATOM 0 HA VAL A 17 31.609 24.149 6.449 1.00 50.07 H new ATOM 0 HB VAL A 17 29.807 23.843 8.203 1.00 49.91 H new ATOM 0 HG11 VAL A 17 30.322 25.924 9.418 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.768 25.239 8.638 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.946 26.642 7.913 1.00 49.73 H new ATOM 0 HG21 VAL A 17 28.093 25.601 8.417 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.632 26.307 6.874 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.909 24.681 6.905 1.00 49.73 H new ATOM 285 N GLU A 18 29.866 22.198 6.337 1.00 49.53 N ATOM 286 CA GLU A 18 29.133 20.978 5.994 1.00 50.07 C ATOM 287 C GLU A 18 28.550 20.323 7.237 1.00 50.51 C ATOM 288 O GLU A 18 29.069 20.466 8.334 1.00 49.49 O ATOM 289 CB GLU A 18 30.044 19.994 5.258 1.00 49.82 C ATOM 290 CG GLU A 18 30.776 20.588 4.063 1.00 49.72 C ATOM 291 CD GLU A 18 29.846 20.789 2.899 1.00 50.62 C ATOM 292 OE1 GLU A 18 28.741 20.306 2.955 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.199 21.518 2.002 1.00 49.24 O ATOM 0 H GLU A 18 30.427 22.110 7.184 1.00 49.53 H new ATOM 0 HA GLU A 18 28.310 21.256 5.336 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.779 19.603 5.961 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.446 19.148 4.919 1.00 49.82 H new ATOM 0 HG2 GLU A 18 31.222 21.542 4.344 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.593 19.929 3.769 1.00 49.72 H new ATOM 300 N PRO A 19 27.433 19.638 7.084 1.00 49.71 N ATOM 301 CA PRO A 19 26.792 18.917 8.185 1.00 50.02 C ATOM 302 C PRO A 19 27.737 17.947 8.850 1.00 50.51 C ATOM 303 O PRO A 19 27.550 17.548 10.008 1.00 49.49 O ATOM 304 CB PRO A 19 25.622 18.174 7.503 1.00 49.82 C ATOM 305 CG PRO A 19 25.291 19.066 6.351 1.00 49.82 C ATOM 306 CD PRO A 19 26.683 19.479 5.813 1.00 50.00 C ATOM 0 HA PRO A 19 26.467 19.586 8.982 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.914 17.177 7.172 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.774 18.051 8.176 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.705 18.545 5.594 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.708 19.931 6.666 1.00 49.82 H new ATOM 0 HD2 PRO A 19 27.120 18.717 5.167 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.646 20.403 5.236 1.00 50.00 H new ATOM 314 N SER A 20 28.749 17.501 8.123 1.00 49.53 N ATOM 315 CA SER A 20 29.687 16.511 8.677 1.00 50.07 C ATOM 316 C SER A 20 30.429 17.217 9.788 1.00 50.51 C ATOM 317 O SER A 20 30.801 16.544 10.764 1.00 49.49 O ATOM 318 CB SER A 20 30.638 16.009 7.609 1.00 50.05 C ATOM 319 OG SER A 20 31.638 16.944 7.313 1.00 49.34 O ATOM 0 H SER A 20 28.948 17.795 7.167 1.00 49.53 H new ATOM 0 HA SER A 20 29.164 15.632 9.053 1.00 50.07 H new ATOM 0 HB2 SER A 20 31.099 15.079 7.942 1.00 50.05 H new ATOM 0 HB3 SER A 20 30.077 15.780 6.703 1.00 50.05 H new ATOM 0 HG SER A 20 32.231 16.581 6.622 1.00 49.34 H new ATOM 325 N ASP A 21 30.759 18.493 9.575 1.00 49.53 N ATOM 326 CA ASP A 21 31.509 19.194 10.650 1.00 50.07 C ATOM 327 C ASP A 21 31.019 19.002 12.063 1.00 50.51 C ATOM 328 O ASP A 21 29.801 18.896 12.307 1.00 49.49 O ATOM 329 CB ASP A 21 31.565 20.694 10.344 1.00 49.72 C ATOM 330 CG ASP A 21 32.373 21.052 9.104 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.053 20.194 8.593 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.185 22.127 8.587 1.00 49.24 O ATOM 0 H ASP A 21 30.545 19.039 8.740 1.00 49.53 H new ATOM 0 HA ASP A 21 32.492 18.723 10.632 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.548 21.066 10.220 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.991 21.212 11.203 1.00 49.72 H new ATOM 337 N THR A 22 31.921 19.174 13.014 1.00 49.53 N ATOM 338 CA THR A 22 31.586 19.114 14.416 1.00 50.07 C ATOM 339 C THR A 22 31.973 20.538 14.880 1.00 50.51 C ATOM 340 O THR A 22 33.021 21.049 14.476 1.00 49.49 O ATOM 341 CB THR A 22 32.396 18.052 15.183 1.00 50.14 C ATOM 342 OG1 THR A 22 33.769 18.461 15.262 1.00 49.34 O ATOM 343 CG2 THR A 22 32.312 16.707 14.480 1.00 49.73 C ATOM 0 H THR A 22 32.907 19.359 12.829 1.00 49.53 H new ATOM 0 HA THR A 22 30.548 18.833 14.595 1.00 50.07 H new ATOM 0 HB THR A 22 31.980 17.953 16.186 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.284 17.786 15.751 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.890 15.969 15.036 1.00 49.73 H new ATOM 0 HG22 THR A 22 31.271 16.388 14.428 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.714 16.798 13.471 1.00 49.73 H new ATOM 351 N ILE A 23 31.086 21.076 15.719 1.00 49.53 N ATOM 352 CA ILE A 23 31.328 22.379 16.332 1.00 50.07 C ATOM 353 C ILE A 23 32.799 22.700 16.601 1.00 50.51 C ATOM 354 O ILE A 23 33.288 23.817 16.359 1.00 49.49 O ATOM 355 CB ILE A 23 30.550 22.516 17.654 1.00 49.91 C ATOM 356 CG1 ILE A 23 29.043 22.543 17.387 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.985 23.771 18.398 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.568 23.799 16.693 1.00 49.73 C ATOM 0 H ILE A 23 30.206 20.635 15.986 1.00 49.53 H new ATOM 0 HA ILE A 23 30.977 23.096 15.590 1.00 50.07 H new ATOM 0 HB ILE A 23 30.772 21.651 18.279 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.776 21.680 16.778 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.514 22.440 18.334 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.426 23.854 19.330 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.051 23.712 18.618 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.790 24.647 17.779 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.490 23.744 16.538 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.802 24.666 17.310 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.068 23.894 15.729 1.00 49.73 H new ATOM 370 N GLU A 24 33.528 21.726 17.097 1.00 49.53 N ATOM 371 CA GLU A 24 34.998 21.923 17.331 1.00 50.07 C ATOM 372 C GLU A 24 35.716 22.233 16.041 1.00 50.51 C ATOM 373 O GLU A 24 36.723 22.980 16.021 1.00 49.49 O ATOM 374 CB GLU A 24 35.607 20.683 17.989 1.00 49.82 C ATOM 375 CG GLU A 24 37.095 20.796 18.285 1.00 49.72 C ATOM 376 CD GLU A 24 37.362 21.813 19.360 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.425 22.249 19.985 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.510 22.073 19.632 1.00 49.24 O ATOM 0 H GLU A 24 33.170 20.805 17.350 1.00 49.53 H new ATOM 0 HA GLU A 24 35.119 22.773 18.002 1.00 50.07 H new ATOM 0 HB2 GLU A 24 35.078 20.484 18.921 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.442 19.824 17.339 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.481 19.825 18.596 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.629 21.075 17.376 1.00 49.72 H new ATOM 385 N ASN A 25 35.253 21.646 14.949 1.00 49.53 N ATOM 386 CA ASN A 25 35.826 21.821 13.609 1.00 50.07 C ATOM 387 C ASN A 25 35.458 23.195 13.050 1.00 50.51 C ATOM 388 O ASN A 25 36.201 23.770 12.227 1.00 49.49 O ATOM 389 CB ASN A 25 35.374 20.726 12.661 1.00 49.82 C ATOM 390 CG ASN A 25 35.877 19.358 13.032 1.00 50.55 C ATOM 391 OD1 ASN A 25 36.970 19.207 13.590 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.124 18.358 12.653 1.00 49.38 N ATOM 0 H ASN A 25 34.449 21.018 14.962 1.00 49.53 H new ATOM 0 HA ASN A 25 36.910 21.753 13.700 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.284 20.708 12.635 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.713 20.967 11.654 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.431 17.399 12.814 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.230 18.537 12.196 1.00 49.38 H new ATOM 399 N VAL A 26 34.309 23.674 13.501 1.00 49.53 N ATOM 400 CA VAL A 26 33.836 24.989 13.083 1.00 50.07 C ATOM 401 C VAL A 26 34.693 26.051 13.765 1.00 50.51 C ATOM 402 O VAL A 26 35.282 26.916 13.110 1.00 49.49 O ATOM 403 CB VAL A 26 32.355 25.210 13.444 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.952 26.652 13.179 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.467 24.257 12.658 1.00 49.73 C ATOM 0 H VAL A 26 33.693 23.182 14.148 1.00 49.53 H new ATOM 0 HA VAL A 26 33.921 25.058 11.999 1.00 50.07 H new ATOM 0 HB VAL A 26 32.225 25.005 14.507 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.903 26.790 13.440 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.567 27.319 13.784 1.00 49.73 H new ATOM 0 HG13 VAL A 26 32.097 26.882 12.124 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.424 24.427 12.926 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.601 24.432 11.590 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.739 23.228 12.894 1.00 49.73 H new ATOM 415 N LYS A 27 34.810 25.938 15.082 1.00 49.53 N ATOM 416 CA LYS A 27 35.606 26.904 15.853 1.00 50.07 C ATOM 417 C LYS A 27 37.068 26.784 15.454 1.00 50.51 C ATOM 418 O LYS A 27 37.762 27.828 15.369 1.00 49.49 O ATOM 419 CB LYS A 27 35.441 26.668 17.355 1.00 49.82 C ATOM 420 CG LYS A 27 34.022 26.861 17.871 1.00 49.82 C ATOM 421 CD LYS A 27 33.938 26.610 19.369 1.00 49.82 C ATOM 422 CE LYS A 27 32.515 26.783 19.881 1.00 50.21 C ATOM 423 NZ LYS A 27 32.413 26.515 21.342 1.00 49.70 N ATOM 0 H LYS A 27 34.374 25.202 15.638 1.00 49.53 H new ATOM 0 HA LYS A 27 35.253 27.911 15.632 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.764 25.654 17.588 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.105 27.346 17.892 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.688 27.875 17.651 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.348 26.183 17.348 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.286 25.601 19.591 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.601 27.298 19.893 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.176 27.798 19.674 1.00 50.21 H new ATOM 0 HE3 LYS A 27 31.851 26.108 19.341 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 31.466 26.145 21.562 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 33.131 25.814 21.617 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 32.571 27.398 21.869 1.00 49.70 H new ATOM 437 N ALA A 28 37.538 25.584 15.184 1.00 49.53 N ATOM 438 CA ALA A 28 38.916 25.371 14.724 1.00 50.07 C ATOM 439 C ALA A 28 39.395 25.928 13.395 1.00 50.51 C ATOM 440 O ALA A 28 40.489 26.585 13.324 1.00 49.49 O ATOM 441 CB ALA A 28 39.218 23.861 14.755 1.00 49.73 C ATOM 0 H ALA A 28 36.990 24.728 15.273 1.00 49.53 H new ATOM 0 HA ALA A 28 39.474 25.983 15.432 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.239 23.687 14.416 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.106 23.488 15.773 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.523 23.337 14.098 1.00 49.73 H new ATOM 447 N LYS A 29 38.650 25.748 12.315 1.00 49.53 N ATOM 448 CA LYS A 29 39.017 26.339 11.012 1.00 50.07 C ATOM 449 C LYS A 29 39.077 27.868 11.192 1.00 50.51 C ATOM 450 O LYS A 29 40.009 28.573 10.733 1.00 49.49 O ATOM 451 CB LYS A 29 38.002 25.960 9.932 1.00 49.82 C ATOM 452 CG LYS A 29 38.069 24.504 9.490 1.00 49.82 C ATOM 453 CD LYS A 29 37.034 24.205 8.415 1.00 49.82 C ATOM 454 CE LYS A 29 37.084 22.745 7.990 1.00 50.21 C ATOM 455 NZ LYS A 29 36.058 22.430 6.960 1.00 49.70 N ATOM 0 H LYS A 29 37.789 25.202 12.302 1.00 49.53 H new ATOM 0 HA LYS A 29 39.985 25.957 10.687 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.999 26.168 10.304 1.00 49.82 H new ATOM 0 HB3 LYS A 29 38.159 26.599 9.063 1.00 49.82 H new ATOM 0 HG2 LYS A 29 39.066 24.283 9.110 1.00 49.82 H new ATOM 0 HG3 LYS A 29 37.904 23.853 10.348 1.00 49.82 H new ATOM 0 HD2 LYS A 29 36.038 24.443 8.790 1.00 49.82 H new ATOM 0 HD3 LYS A 29 37.210 24.844 7.550 1.00 49.82 H new ATOM 0 HE2 LYS A 29 38.075 22.515 7.597 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.931 22.108 8.861 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 36.126 21.426 6.698 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 35.111 22.625 7.343 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 36.219 23.019 6.118 1.00 49.70 H new ATOM 469 N ILE A 30 38.103 28.398 11.931 1.00 49.53 N ATOM 470 CA ILE A 30 38.076 29.855 12.162 1.00 50.07 C ATOM 471 C ILE A 30 39.281 30.367 12.963 1.00 50.51 C ATOM 472 O ILE A 30 39.496 31.598 13.039 1.00 49.49 O ATOM 473 CB ILE A 30 36.785 30.279 12.885 1.00 49.91 C ATOM 474 CG1 ILE A 30 35.587 30.187 11.936 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.924 31.690 13.436 1.00 49.73 C ATOM 476 CD1 ILE A 30 34.260 30.481 12.599 1.00 49.73 C ATOM 0 H ILE A 30 37.347 27.871 12.368 1.00 49.53 H new ATOM 0 HA ILE A 30 38.118 30.305 11.170 1.00 50.07 H new ATOM 0 HB ILE A 30 36.615 29.599 13.720 1.00 49.91 H new ATOM 0 HG12 ILE A 30 35.734 30.885 11.112 1.00 49.82 H new ATOM 0 HG13 ILE A 30 35.553 29.187 11.504 1.00 49.82 H new ATOM 0 HG21 ILE A 30 36.003 31.975 13.944 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.754 31.725 14.142 1.00 49.73 H new ATOM 0 HG23 ILE A 30 37.116 32.383 12.617 1.00 49.73 H new ATOM 0 HD11 ILE A 30 33.459 30.396 11.864 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.090 29.767 13.405 1.00 49.73 H new ATOM 0 HD13 ILE A 30 34.273 31.492 13.007 1.00 49.73 H new ATOM 488 N GLN A 31 39.952 29.513 13.694 1.00 49.53 N ATOM 489 CA GLN A 31 41.134 30.012 14.465 1.00 50.07 C ATOM 490 C GLN A 31 42.016 30.803 13.485 1.00 50.51 C ATOM 491 O GLN A 31 42.619 31.870 13.746 1.00 49.49 O ATOM 492 CB GLN A 31 41.924 28.850 15.075 1.00 49.82 C ATOM 493 CG GLN A 31 43.144 29.277 15.872 1.00 49.82 C ATOM 494 CD GLN A 31 43.866 28.100 16.501 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.445 27.575 17.535 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.963 27.681 15.880 1.00 49.38 N ATOM 0 H GLN A 31 39.742 28.519 13.791 1.00 49.53 H new ATOM 0 HA GLN A 31 40.806 30.644 15.290 1.00 50.07 H new ATOM 0 HB2 GLN A 31 41.262 28.277 15.724 1.00 49.82 H new ATOM 0 HB3 GLN A 31 42.242 28.182 14.275 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.831 29.814 15.219 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.839 29.972 16.654 1.00 49.82 H new ATOM 0 HE21 GLN A 31 45.275 28.145 15.027 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.493 26.895 16.256 1.00 49.38 H new ATOM 505 N ASP A 32 42.130 30.238 12.307 1.00 49.53 N ATOM 506 CA ASP A 32 42.930 30.883 11.240 1.00 50.07 C ATOM 507 C ASP A 32 42.250 31.981 10.450 1.00 50.51 C ATOM 508 O ASP A 32 42.805 33.068 10.166 1.00 49.49 O ATOM 509 CB ASP A 32 43.444 29.816 10.269 1.00 49.72 C ATOM 510 CG ASP A 32 44.450 30.328 9.248 1.00 50.62 C ATOM 511 OD1 ASP A 32 45.372 31.006 9.639 1.00 49.24 O ATOM 512 OD2 ASP A 32 44.383 29.913 8.116 1.00 49.24 O ATOM 0 H ASP A 32 41.697 29.352 12.045 1.00 49.53 H new ATOM 0 HA ASP A 32 43.735 31.384 11.777 1.00 50.07 H new ATOM 0 HB2 ASP A 32 43.904 29.011 10.843 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.595 29.384 9.739 1.00 49.72 H new ATOM 517 N LYS A 33 40.999 31.744 10.013 1.00 49.53 N ATOM 518 CA LYS A 33 40.385 32.794 9.156 1.00 50.07 C ATOM 519 C LYS A 33 40.520 34.104 9.849 1.00 50.51 C ATOM 520 O LYS A 33 41.333 34.947 9.335 1.00 49.49 O ATOM 521 CB LYS A 33 38.915 32.481 8.876 1.00 49.82 C ATOM 522 CG LYS A 33 38.688 31.251 8.007 1.00 49.82 C ATOM 523 CD LYS A 33 39.298 31.429 6.626 1.00 49.82 C ATOM 524 CE LYS A 33 38.903 30.292 5.695 1.00 50.21 C ATOM 525 NZ LYS A 33 39.450 28.985 6.150 1.00 49.70 N ATOM 0 H LYS A 33 40.432 30.919 10.210 1.00 49.53 H new ATOM 0 HA LYS A 33 40.898 32.828 8.195 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.399 32.340 9.826 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.459 33.343 8.390 1.00 49.82 H new ATOM 0 HG2 LYS A 33 39.125 30.377 8.490 1.00 49.82 H new ATOM 0 HG3 LYS A 33 37.619 31.062 7.913 1.00 49.82 H new ATOM 0 HD2 LYS A 33 38.972 32.379 6.202 1.00 49.82 H new ATOM 0 HD3 LYS A 33 40.384 31.473 6.709 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.816 30.230 5.638 1.00 50.21 H new ATOM 0 HE3 LYS A 33 39.263 30.505 4.689 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 39.201 28.246 5.462 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.485 29.050 6.229 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 39.047 28.744 7.078 1.00 49.70 H new ATOM 539 N GLU A 34 39.940 34.370 10.986 1.00 49.53 N ATOM 540 CA GLU A 34 40.041 35.622 11.701 1.00 50.07 C ATOM 541 C GLU A 34 41.114 35.750 12.753 1.00 50.51 C ATOM 542 O GLU A 34 41.727 36.815 12.872 1.00 49.49 O ATOM 543 CB GLU A 34 38.688 35.955 12.336 1.00 49.82 C ATOM 544 CG GLU A 34 38.264 37.408 12.188 1.00 49.72 C ATOM 545 CD GLU A 34 39.048 38.303 13.107 1.00 50.62 C ATOM 546 OE1 GLU A 34 38.984 38.102 14.296 1.00 49.24 O ATOM 547 OE2 GLU A 34 39.798 39.114 12.617 1.00 49.24 O ATOM 0 H GLU A 34 39.353 33.688 11.467 1.00 49.53 H new ATOM 0 HA GLU A 34 40.344 36.328 10.928 1.00 50.07 H new ATOM 0 HB2 GLU A 34 37.924 35.319 11.888 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.728 35.707 13.397 1.00 49.82 H new ATOM 0 HG2 GLU A 34 38.408 37.728 11.156 1.00 49.72 H new ATOM 0 HG3 GLU A 34 37.200 37.502 12.406 1.00 49.72 H new ATOM 554 N GLY A 35 41.320 34.713 13.548 1.00 49.53 N ATOM 555 CA GLY A 35 42.362 34.686 14.540 1.00 49.98 C ATOM 556 C GLY A 35 41.800 34.523 15.897 1.00 50.51 C ATOM 557 O GLY A 35 42.488 34.836 16.905 1.00 49.49 O ATOM 0 H GLY A 35 40.759 33.862 13.516 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.050 33.868 14.327 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.940 35.609 14.491 1.00 49.98 H new ATOM 561 N ILE A 36 40.536 34.078 16.005 1.00 49.53 N ATOM 562 CA ILE A 36 39.960 33.904 17.347 1.00 50.07 C ATOM 563 C ILE A 36 40.120 32.466 17.814 1.00 50.51 C ATOM 564 O ILE A 36 39.563 31.535 17.206 1.00 49.49 O ATOM 565 CB ILE A 36 38.468 34.283 17.377 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.262 35.685 16.798 1.00 49.82 C ATOM 567 CG2 ILE A 36 37.928 34.205 18.797 1.00 49.73 C ATOM 568 CD1 ILE A 36 38.841 36.790 17.652 1.00 49.73 C ATOM 0 H ILE A 36 39.922 33.843 15.225 1.00 49.53 H new ATOM 0 HA ILE A 36 40.501 34.570 18.019 1.00 50.07 H new ATOM 0 HB ILE A 36 37.917 33.572 16.761 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.715 35.729 15.808 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.194 35.861 16.668 1.00 49.82 H new ATOM 0 HG21 ILE A 36 36.872 34.476 18.800 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.043 33.189 19.175 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.481 34.894 19.435 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.655 37.753 17.176 1.00 49.73 H new ATOM 0 HD12 ILE A 36 38.371 36.774 18.635 1.00 49.73 H new ATOM 0 HD13 ILE A 36 39.915 36.640 17.761 1.00 49.73 H new ATOM 580 N PRO A 37 40.855 32.264 18.901 1.00 49.71 N ATOM 581 CA PRO A 37 41.070 30.932 19.492 1.00 50.02 C ATOM 582 C PRO A 37 39.747 30.272 19.836 1.00 50.51 C ATOM 583 O PRO A 37 38.875 30.960 20.428 1.00 49.49 O ATOM 584 CB PRO A 37 41.826 31.317 20.800 1.00 49.82 C ATOM 585 CG PRO A 37 42.589 32.548 20.411 1.00 49.82 C ATOM 586 CD PRO A 37 41.539 33.354 19.657 1.00 50.00 C ATOM 0 HA PRO A 37 41.592 30.230 18.841 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.135 31.515 21.620 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.492 30.519 21.129 1.00 49.82 H new ATOM 0 HG2 PRO A 37 42.966 33.085 21.281 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.449 32.313 19.784 1.00 49.82 H new ATOM 0 HD2 PRO A 37 40.861 33.883 20.327 1.00 50.00 H new ATOM 0 HD3 PRO A 37 41.983 34.101 18.998 1.00 50.00 H new ATOM 594 N PRO A 38 39.581 29.003 19.553 1.00 49.71 N ATOM 595 CA PRO A 38 38.308 28.328 19.854 1.00 50.02 C ATOM 596 C PRO A 38 37.920 28.405 21.307 1.00 50.51 C ATOM 597 O PRO A 38 36.714 28.455 21.673 1.00 49.49 O ATOM 598 CB PRO A 38 38.517 26.915 19.319 1.00 49.82 C ATOM 599 CG PRO A 38 39.516 27.121 18.183 1.00 49.82 C ATOM 600 CD PRO A 38 40.515 28.097 18.840 1.00 50.00 C ATOM 0 HA PRO A 38 37.451 28.808 19.382 1.00 50.02 H new ATOM 0 HB2 PRO A 38 38.910 26.247 20.086 1.00 49.82 H new ATOM 0 HB3 PRO A 38 37.585 26.477 18.962 1.00 49.82 H new ATOM 0 HG2 PRO A 38 39.991 26.189 17.878 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.048 27.546 17.295 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.202 27.592 19.519 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.123 28.624 18.105 1.00 50.00 H new ATOM 608 N ASP A 39 38.877 28.423 22.201 1.00 49.53 N ATOM 609 CA ASP A 39 38.571 28.442 23.658 1.00 50.07 C ATOM 610 C ASP A 39 37.914 29.750 24.080 1.00 50.51 C ATOM 611 O ASP A 39 37.254 29.866 25.150 1.00 49.49 O ATOM 612 CB ASP A 39 39.845 28.209 24.475 1.00 49.72 C ATOM 613 CG ASP A 39 40.478 26.839 24.275 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.834 25.984 23.714 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.648 26.704 24.541 1.00 49.24 O ATOM 0 H ASP A 39 39.872 28.425 21.976 1.00 49.53 H new ATOM 0 HA ASP A 39 37.865 27.635 23.854 1.00 50.07 H new ATOM 0 HB2 ASP A 39 40.575 28.975 24.213 1.00 49.72 H new ATOM 0 HB3 ASP A 39 39.613 28.338 25.532 1.00 49.72 H new ATOM 620 N GLN A 40 37.980 30.752 23.219 1.00 49.53 N ATOM 621 CA GLN A 40 37.339 32.046 23.549 1.00 50.07 C ATOM 622 C GLN A 40 35.953 32.215 22.897 1.00 50.51 C ATOM 623 O GLN A 40 35.418 33.317 22.920 1.00 49.49 O ATOM 624 CB GLN A 40 38.243 33.207 23.126 1.00 49.82 C ATOM 625 CG GLN A 40 39.447 33.418 24.029 1.00 49.82 C ATOM 626 CD GLN A 40 40.325 34.565 23.564 1.00 50.55 C ATOM 627 OE1 GLN A 40 39.961 35.737 23.700 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.485 34.235 23.009 1.00 49.38 N ATOM 0 H GLN A 40 38.449 30.715 22.314 1.00 49.53 H new ATOM 0 HA GLN A 40 37.194 32.053 24.629 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.592 33.029 22.109 1.00 49.82 H new ATOM 0 HB3 GLN A 40 37.653 34.123 23.105 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.105 33.614 25.045 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.038 32.502 24.062 1.00 49.82 H new ATOM 0 HE21 GLN A 40 41.745 33.253 22.917 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.116 34.963 22.675 1.00 49.38 H new ATOM 637 N GLN A 41 35.402 31.159 22.341 1.00 49.53 N ATOM 638 CA GLN A 41 34.133 31.189 21.655 1.00 50.07 C ATOM 639 C GLN A 41 32.988 30.423 22.283 1.00 50.51 C ATOM 640 O GLN A 41 32.917 29.206 22.333 1.00 49.49 O ATOM 641 CB GLN A 41 34.318 30.695 20.218 1.00 49.82 C ATOM 642 CG GLN A 41 35.268 31.539 19.386 1.00 49.82 C ATOM 643 CD GLN A 41 35.507 30.954 18.007 1.00 50.55 C ATOM 644 OE1 GLN A 41 36.259 29.988 17.849 1.00 49.45 O ATOM 645 NE2 GLN A 41 34.871 31.540 16.999 1.00 49.38 N ATOM 0 H GLN A 41 35.835 30.236 22.355 1.00 49.53 H new ATOM 0 HA GLN A 41 33.832 32.235 21.715 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.688 29.670 20.243 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.346 30.671 19.726 1.00 49.82 H new ATOM 0 HG2 GLN A 41 34.862 32.545 19.285 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.220 31.631 19.908 1.00 49.82 H new ATOM 0 HE21 GLN A 41 34.259 32.336 17.176 1.00 49.38 H new ATOM 0 HE22 GLN A 41 34.995 31.194 16.048 1.00 49.38 H new ATOM 654 N ARG A 42 31.940 31.173 22.620 1.00 49.53 N ATOM 655 CA ARG A 42 30.661 30.554 23.090 1.00 50.07 C ATOM 656 C ARG A 42 29.570 30.655 22.047 1.00 50.51 C ATOM 657 O ARG A 42 29.519 31.755 21.363 1.00 49.49 O ATOM 658 CB ARG A 42 30.205 31.127 24.424 1.00 49.82 C ATOM 659 CG ARG A 42 31.222 31.012 25.549 1.00 49.82 C ATOM 660 CD ARG A 42 30.688 31.355 26.893 1.00 50.20 C ATOM 661 NE ARG A 42 30.326 32.754 27.058 1.00 49.30 N ATOM 662 CZ ARG A 42 29.743 33.268 28.158 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.421 32.501 29.176 1.00 49.20 N ATOM 664 NH2 ARG A 42 29.482 34.564 28.178 1.00 49.20 N ATOM 0 H ARG A 42 31.930 32.192 22.584 1.00 49.53 H new ATOM 0 HA ARG A 42 30.866 29.495 23.247 1.00 50.07 H new ATOM 0 HB2 ARG A 42 29.955 32.179 24.285 1.00 49.82 H new ATOM 0 HB3 ARG A 42 29.289 30.619 24.728 1.00 49.82 H new ATOM 0 HG2 ARG A 42 31.606 29.992 25.573 1.00 49.82 H new ATOM 0 HG3 ARG A 42 32.066 31.666 25.328 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.810 30.740 27.089 1.00 50.20 H new ATOM 0 HD3 ARG A 42 31.434 31.095 27.644 1.00 50.20 H new ATOM 0 HE ARG A 42 30.528 33.390 26.287 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.612 31.500 29.141 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.980 32.907 30.001 1.00 49.20 H new ATOM 0 HH21 ARG A 42 29.722 35.145 27.375 1.00 49.20 H new ATOM 0 HH22 ARG A 42 29.041 34.983 28.997 1.00 49.20 H new ATOM 678 N LEU A 43 28.780 29.607 21.820 1.00 49.53 N ATOM 679 CA LEU A 43 27.735 29.649 20.766 1.00 50.07 C ATOM 680 C LEU A 43 26.343 29.411 21.339 1.00 50.51 C ATOM 681 O LEU A 43 26.103 28.333 21.899 1.00 49.49 O ATOM 682 CB LEU A 43 28.045 28.616 19.675 1.00 49.82 C ATOM 683 CG LEU A 43 29.463 28.686 19.093 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.751 27.440 18.269 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.603 29.940 18.242 1.00 49.73 C ATOM 0 H LEU A 43 28.831 28.728 22.334 1.00 49.53 H new ATOM 0 HA LEU A 43 27.744 30.648 20.330 1.00 50.07 H new ATOM 0 HB2 LEU A 43 27.887 27.619 20.086 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.329 28.743 18.863 1.00 49.82 H new ATOM 0 HG LEU A 43 30.187 28.732 19.906 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.760 27.499 17.860 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.668 26.557 18.903 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.032 27.370 17.453 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.611 29.989 17.829 1.00 49.73 H new ATOM 0 HD22 LEU A 43 28.878 29.910 17.428 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.420 30.820 18.858 1.00 49.73 H new ATOM 697 N ILE A 44 25.497 30.433 21.248 1.00 49.53 N ATOM 698 CA ILE A 44 24.143 30.392 21.790 1.00 50.07 C ATOM 699 C ILE A 44 23.083 30.049 20.751 1.00 50.51 C ATOM 700 O ILE A 44 22.817 30.790 19.826 1.00 49.49 O ATOM 701 CB ILE A 44 23.771 31.731 22.453 1.00 49.91 C ATOM 702 CG1 ILE A 44 24.858 32.157 23.443 1.00 49.82 C ATOM 703 CG2 ILE A 44 22.423 31.622 23.151 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.033 31.206 24.606 1.00 49.73 C ATOM 0 H ILE A 44 25.732 31.316 20.795 1.00 49.53 H new ATOM 0 HA ILE A 44 24.154 29.592 22.531 1.00 50.07 H new ATOM 0 HB ILE A 44 23.695 32.493 21.677 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.806 32.244 22.912 1.00 49.82 H new ATOM 0 HG13 ILE A 44 24.616 33.147 23.829 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.175 32.577 23.614 1.00 49.73 H new ATOM 0 HG22 ILE A 44 21.656 31.362 22.422 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.472 30.849 23.917 1.00 49.73 H new ATOM 0 HD11 ILE A 44 25.820 31.576 25.263 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.099 31.136 25.163 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.306 30.220 24.231 1.00 49.73 H new ATOM 716 N PHE A 45 22.446 28.868 20.963 1.00 49.53 N ATOM 717 CA PHE A 45 21.359 28.411 20.082 1.00 50.07 C ATOM 718 C PHE A 45 20.249 27.742 20.918 1.00 50.51 C ATOM 719 O PHE A 45 20.467 26.777 21.650 1.00 49.49 O ATOM 720 CB PHE A 45 21.891 27.437 19.030 1.00 49.82 C ATOM 721 CG PHE A 45 20.936 27.186 17.897 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.801 28.108 16.869 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.170 26.031 17.859 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.923 27.878 15.827 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.293 25.799 16.817 1.00 49.88 C ATOM 726 CZ PHE A 45 19.169 26.725 15.800 1.00 49.88 C ATOM 0 H PHE A 45 22.668 28.229 21.727 1.00 49.53 H new ATOM 0 HA PHE A 45 20.942 29.276 19.567 1.00 50.07 H new ATOM 0 HB2 PHE A 45 22.825 27.828 18.626 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.125 26.488 19.512 1.00 49.82 H new ATOM 0 HD1 PHE A 45 21.388 29.014 16.883 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.260 25.304 18.653 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.828 28.603 15.032 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.705 24.894 16.798 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.483 26.546 14.986 1.00 49.88 H new ATOM 736 N ALA A 46 19.112 28.388 20.837 1.00 49.53 N ATOM 737 CA ALA A 46 17.873 27.929 21.497 1.00 50.07 C ATOM 738 C ALA A 46 17.981 27.904 23.014 1.00 50.51 C ATOM 739 O ALA A 46 17.296 27.136 23.706 1.00 49.49 O ATOM 740 CB ALA A 46 17.488 26.577 20.985 1.00 49.73 C ATOM 0 H ALA A 46 18.999 29.255 20.312 1.00 49.53 H new ATOM 0 HA ALA A 46 17.097 28.653 21.249 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.573 26.248 21.478 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.322 26.629 19.909 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.288 25.867 21.194 1.00 49.73 H new ATOM 746 N GLY A 47 18.881 28.708 23.500 1.00 49.53 N ATOM 747 CA GLY A 47 19.239 28.918 24.872 1.00 49.98 C ATOM 748 C GLY A 47 20.223 27.873 25.329 1.00 50.51 C ATOM 749 O GLY A 47 20.685 27.924 26.490 1.00 49.49 O ATOM 0 H GLY A 47 19.440 29.293 22.880 1.00 49.53 H new ATOM 0 HA2 GLY A 47 19.672 29.911 24.993 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.346 28.882 25.496 1.00 49.98 H new ATOM 753 N LYS A 48 20.604 26.969 24.467 1.00 49.53 N ATOM 754 CA LYS A 48 21.595 25.935 24.792 1.00 50.07 C ATOM 755 C LYS A 48 23.008 26.146 24.216 1.00 50.51 C ATOM 756 O LYS A 48 23.173 25.985 23.017 1.00 49.49 O ATOM 757 CB LYS A 48 21.075 24.566 24.354 1.00 49.82 C ATOM 758 CG LYS A 48 19.900 24.046 25.172 1.00 49.82 C ATOM 759 CD LYS A 48 20.319 23.728 26.600 1.00 49.82 C ATOM 760 CE LYS A 48 19.154 23.181 27.410 1.00 50.21 C ATOM 761 NZ LYS A 48 19.523 22.956 28.835 1.00 49.70 N ATOM 0 H LYS A 48 20.245 26.914 23.514 1.00 49.53 H new ATOM 0 HA LYS A 48 21.715 26.002 25.873 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.776 24.623 23.307 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.891 23.845 24.414 1.00 49.82 H new ATOM 0 HG2 LYS A 48 19.103 24.790 25.181 1.00 49.82 H new ATOM 0 HG3 LYS A 48 19.495 23.150 24.702 1.00 49.82 H new ATOM 0 HD2 LYS A 48 21.130 23.000 26.589 1.00 49.82 H new ATOM 0 HD3 LYS A 48 20.705 24.629 27.077 1.00 49.82 H new ATOM 0 HE2 LYS A 48 18.317 23.878 27.358 1.00 50.21 H new ATOM 0 HE3 LYS A 48 18.816 22.243 26.971 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 18.701 22.583 29.352 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 20.304 22.272 28.887 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 19.821 23.856 29.263 1.00 49.70 H new ATOM 775 N GLN A 49 23.959 26.477 25.047 1.00 49.53 N ATOM 776 CA GLN A 49 25.368 26.576 24.569 1.00 50.07 C ATOM 777 C GLN A 49 25.669 25.349 23.714 1.00 50.51 C ATOM 778 O GLN A 49 25.395 24.212 24.176 1.00 49.49 O ATOM 779 CB GLN A 49 26.341 26.654 25.749 1.00 49.82 C ATOM 780 CG GLN A 49 27.807 26.655 25.347 1.00 49.82 C ATOM 781 CD GLN A 49 28.715 27.109 26.474 1.00 50.55 C ATOM 782 OE1 GLN A 49 29.241 28.322 26.356 1.00 49.45 O flip ATOM 783 NE2 GLN A 49 28.939 26.378 27.442 1.00 49.38 N flip ATOM 0 H GLN A 49 23.821 26.683 26.036 1.00 49.53 H new ATOM 0 HA GLN A 49 25.492 27.485 23.981 1.00 50.07 H new ATOM 0 HB2 GLN A 49 26.131 27.559 26.319 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.158 25.809 26.413 1.00 49.82 H new ATOM 0 HG2 GLN A 49 28.096 25.652 25.033 1.00 49.82 H new ATOM 0 HG3 GLN A 49 27.945 27.310 24.487 1.00 49.82 H new ATOM 0 HE21 GLN A 49 28.513 25.452 27.491 1.00 49.38 H new ATOM 0 HE22 GLN A 49 29.550 26.699 28.193 1.00 49.38 H new ATOM 792 N LEU A 50 26.192 25.543 22.526 1.00 49.53 N ATOM 793 CA LEU A 50 26.441 24.438 21.585 1.00 50.07 C ATOM 794 C LEU A 50 27.579 23.575 22.104 1.00 50.51 C ATOM 795 O LEU A 50 28.515 24.135 22.638 1.00 49.49 O ATOM 796 CB LEU A 50 26.770 24.987 20.191 1.00 49.82 C ATOM 797 CG LEU A 50 25.555 25.310 19.312 1.00 49.91 C ATOM 798 CD1 LEU A 50 24.998 26.680 19.674 1.00 49.73 C ATOM 799 CD2 LEU A 50 25.958 25.261 17.847 1.00 49.73 C ATOM 0 H LEU A 50 26.461 26.461 22.171 1.00 49.53 H new ATOM 0 HA LEU A 50 25.542 23.827 21.504 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.366 25.892 20.306 1.00 49.82 H new ATOM 0 HB3 LEU A 50 27.392 24.260 19.669 1.00 49.82 H new ATOM 0 HG LEU A 50 24.775 24.569 19.485 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.136 26.900 19.045 1.00 49.73 H new ATOM 0 HD12 LEU A 50 24.694 26.684 20.721 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.765 27.438 19.516 1.00 49.73 H new ATOM 0 HD21 LEU A 50 25.094 25.491 17.224 1.00 49.73 H new ATOM 0 HD22 LEU A 50 26.744 25.993 17.661 1.00 49.73 H new ATOM 0 HD23 LEU A 50 26.326 24.264 17.604 1.00 49.73 H new ATOM 811 N GLU A 51 27.499 22.262 21.887 1.00 49.53 N ATOM 812 CA GLU A 51 28.539 21.349 22.406 1.00 50.07 C ATOM 813 C GLU A 51 29.560 21.120 21.325 1.00 50.51 C ATOM 814 O GLU A 51 29.191 21.080 20.153 1.00 49.49 O ATOM 815 CB GLU A 51 27.926 20.022 22.857 1.00 49.82 C ATOM 816 CG GLU A 51 26.827 20.160 23.901 1.00 49.72 C ATOM 817 CD GLU A 51 26.329 18.814 24.350 1.00 50.62 C ATOM 818 OE1 GLU A 51 27.130 18.013 24.766 1.00 49.24 O ATOM 819 OE2 GLU A 51 25.134 18.627 24.384 1.00 49.24 O ATOM 0 H GLU A 51 26.747 21.807 21.369 1.00 49.53 H new ATOM 0 HA GLU A 51 29.017 21.800 23.276 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.520 19.508 21.985 1.00 49.82 H new ATOM 0 HB3 GLU A 51 28.716 19.389 23.261 1.00 49.82 H new ATOM 0 HG2 GLU A 51 27.205 20.715 24.759 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.000 20.737 23.488 1.00 49.72 H new ATOM 826 N ASP A 52 30.821 20.965 21.644 1.00 49.53 N ATOM 827 CA ASP A 52 31.933 20.821 20.711 1.00 50.07 C ATOM 828 C ASP A 52 31.949 19.603 19.804 1.00 50.51 C ATOM 829 O ASP A 52 32.512 19.697 18.677 1.00 49.49 O ATOM 830 CB ASP A 52 33.254 20.876 21.484 1.00 49.72 C ATOM 831 CG ASP A 52 33.714 22.282 21.843 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.156 23.220 21.322 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.507 22.415 22.744 1.00 49.24 O ATOM 0 H ASP A 52 31.126 20.933 22.617 1.00 49.53 H new ATOM 0 HA ASP A 52 31.794 21.657 20.026 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.149 20.296 22.401 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.030 20.394 20.889 1.00 49.72 H new ATOM 838 N GLY A 53 31.507 18.466 20.296 1.00 49.53 N ATOM 839 CA GLY A 53 31.510 17.185 19.566 1.00 49.98 C ATOM 840 C GLY A 53 30.343 17.040 18.646 1.00 50.51 C ATOM 841 O GLY A 53 30.431 16.354 17.602 1.00 49.49 O ATOM 0 H GLY A 53 31.123 18.389 21.238 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.432 17.102 18.991 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.506 16.364 20.283 1.00 49.98 H new ATOM 845 N ARG A 54 29.223 17.702 18.912 1.00 49.53 N ATOM 846 CA ARG A 54 28.055 17.669 18.008 1.00 50.07 C ATOM 847 C ARG A 54 28.410 18.201 16.628 1.00 50.51 C ATOM 848 O ARG A 54 29.499 18.780 16.431 1.00 49.49 O ATOM 849 CB ARG A 54 26.856 18.398 18.594 1.00 49.82 C ATOM 850 CG ARG A 54 26.446 17.941 19.987 1.00 49.82 C ATOM 851 CD ARG A 54 26.145 16.492 20.091 1.00 50.20 C ATOM 852 NE ARG A 54 24.926 16.079 19.413 1.00 49.30 N ATOM 853 CZ ARG A 54 24.452 14.818 19.391 1.00 50.64 C ATOM 854 NH1 ARG A 54 25.107 13.838 19.973 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.321 14.588 18.747 1.00 49.20 N ATOM 0 H ARG A 54 29.089 18.273 19.746 1.00 49.53 H new ATOM 0 HA ARG A 54 27.766 16.624 17.898 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.079 19.464 18.628 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.008 18.271 17.921 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.246 18.185 20.687 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.567 18.506 20.298 1.00 49.82 H new ATOM 0 HD2 ARG A 54 26.983 15.929 19.680 1.00 50.20 H new ATOM 0 HD3 ARG A 54 26.068 16.224 21.145 1.00 50.20 H new ATOM 0 HE ARG A 54 24.392 16.795 18.919 1.00 49.30 H new ATOM 0 HH11 ARG A 54 25.988 14.027 20.451 1.00 49.20 H new ATOM 0 HH12 ARG A 54 24.734 12.889 19.947 1.00 49.20 H new ATOM 0 HH21 ARG A 54 22.832 15.355 18.284 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.937 13.644 18.712 1.00 49.20 H new ATOM 869 N THR A 55 27.485 18.102 15.706 1.00 49.53 N ATOM 870 CA THR A 55 27.630 18.620 14.326 1.00 50.07 C ATOM 871 C THR A 55 26.511 19.684 14.231 1.00 50.51 C ATOM 872 O THR A 55 25.686 19.798 15.132 1.00 49.49 O ATOM 873 CB THR A 55 27.430 17.531 13.258 1.00 50.14 C ATOM 874 OG1 THR A 55 26.167 16.884 13.462 1.00 49.34 O ATOM 875 CG2 THR A 55 28.542 16.496 13.334 1.00 49.73 C ATOM 0 H THR A 55 26.584 17.654 15.875 1.00 49.53 H new ATOM 0 HA THR A 55 28.631 19.009 14.141 1.00 50.07 H new ATOM 0 HB THR A 55 27.452 18.001 12.275 1.00 50.14 H new ATOM 0 HG1 THR A 55 26.141 16.493 14.360 1.00 49.34 H new ATOM 0 HG21 THR A 55 28.383 15.734 12.571 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.503 16.982 13.167 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.538 16.029 14.319 1.00 49.73 H new ATOM 883 N LEU A 56 26.517 20.417 13.137 1.00 49.53 N ATOM 884 CA LEU A 56 25.485 21.432 12.862 1.00 50.07 C ATOM 885 C LEU A 56 24.198 20.662 12.580 1.00 50.51 C ATOM 886 O LEU A 56 23.152 21.158 12.900 1.00 49.49 O ATOM 887 CB LEU A 56 25.882 22.309 11.667 1.00 49.82 C ATOM 888 CG LEU A 56 27.079 23.238 11.908 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.476 23.926 10.610 1.00 49.73 C ATOM 890 CD2 LEU A 56 26.721 24.263 12.974 1.00 49.73 C ATOM 0 H LEU A 56 27.227 20.338 12.409 1.00 49.53 H new ATOM 0 HA LEU A 56 25.359 22.109 13.707 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.110 21.661 10.821 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.023 22.916 11.381 1.00 49.82 H new ATOM 0 HG LEU A 56 27.929 22.652 12.257 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.326 24.583 10.792 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.750 23.175 9.869 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.637 24.513 10.238 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.572 24.923 13.145 1.00 49.73 H new ATOM 0 HD22 LEU A 56 25.867 24.852 12.640 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.468 23.750 13.902 1.00 49.73 H new ATOM 902 N SER A 57 24.320 19.411 12.090 1.00 49.53 N ATOM 903 CA SER A 57 23.068 18.666 11.804 1.00 50.07 C ATOM 904 C SER A 57 22.328 18.350 13.085 1.00 50.51 C ATOM 905 O SER A 57 21.069 18.198 13.075 1.00 49.49 O ATOM 906 CB SER A 57 23.381 17.392 11.044 1.00 50.05 C ATOM 907 OG SER A 57 24.120 16.486 11.816 1.00 49.34 O ATOM 0 H SER A 57 25.194 18.923 11.895 1.00 49.53 H new ATOM 0 HA SER A 57 22.425 19.294 11.187 1.00 50.07 H new ATOM 0 HB2 SER A 57 22.450 16.922 10.726 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.939 17.637 10.140 1.00 50.05 H new ATOM 0 HG SER A 57 24.823 16.967 12.301 1.00 49.34 H new ATOM 913 N ASP A 58 23.044 18.279 14.193 1.00 49.53 N ATOM 914 CA ASP A 58 22.416 17.981 15.507 1.00 50.07 C ATOM 915 C ASP A 58 21.442 18.998 16.109 1.00 50.51 C ATOM 916 O ASP A 58 20.546 18.672 16.894 1.00 49.49 O ATOM 917 CB ASP A 58 23.512 17.688 16.535 1.00 49.72 C ATOM 918 CG ASP A 58 24.261 16.383 16.303 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.638 15.349 16.344 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.409 16.438 15.933 1.00 49.24 O ATOM 0 H ASP A 58 24.054 18.419 14.230 1.00 49.53 H new ATOM 0 HA ASP A 58 21.779 17.127 15.278 1.00 50.07 H new ATOM 0 HB2 ASP A 58 24.228 18.510 16.528 1.00 49.72 H new ATOM 0 HB3 ASP A 58 23.064 17.664 17.528 1.00 49.72 H new ATOM 925 N TYR A 59 21.752 20.246 15.907 1.00 49.53 N ATOM 926 CA TYR A 59 20.956 21.377 16.379 1.00 50.07 C ATOM 927 C TYR A 59 20.052 21.942 15.307 1.00 50.51 C ATOM 928 O TYR A 59 19.452 23.008 15.555 1.00 49.49 O ATOM 929 CB TYR A 59 21.869 22.478 16.920 1.00 49.82 C ATOM 930 CG TYR A 59 22.461 22.173 18.278 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.646 22.014 19.389 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.832 22.046 18.446 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.180 21.734 20.632 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.377 21.765 19.685 1.00 49.88 C ATOM 935 CZ TYR A 59 23.546 21.611 20.776 1.00 50.11 C ATOM 936 OH TYR A 59 24.083 21.334 22.012 1.00 49.46 O ATOM 0 H TYR A 59 22.588 20.529 15.396 1.00 49.53 H new ATOM 0 HA TYR A 59 20.316 21.001 17.177 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.680 22.645 16.211 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.303 23.408 16.982 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.576 22.111 19.281 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.485 22.169 17.594 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.531 21.612 21.487 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.447 21.667 19.798 1.00 49.88 H new ATOM 0 HH TYR A 59 24.441 20.422 22.016 1.00 49.46 H new ATOM 946 N ASN A 60 19.885 21.330 14.155 1.00 49.53 N ATOM 947 CA ASN A 60 18.990 21.918 13.136 1.00 50.07 C ATOM 948 C ASN A 60 19.349 23.332 12.699 1.00 50.51 C ATOM 949 O ASN A 60 18.560 24.283 12.877 1.00 49.49 O ATOM 950 CB ASN A 60 17.547 21.884 13.603 1.00 49.82 C ATOM 951 CG ASN A 60 16.546 21.937 12.483 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.810 21.475 11.366 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.431 22.568 12.749 1.00 49.38 N ATOM 0 H ASN A 60 20.333 20.453 13.889 1.00 49.53 H new ATOM 0 HA ASN A 60 19.126 21.289 12.257 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.383 20.975 14.181 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.372 22.725 14.274 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.731 22.698 12.018 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.261 22.930 13.687 1.00 49.38 H new ATOM 960 N ILE A 61 20.489 23.488 12.061 1.00 49.53 N ATOM 961 CA ILE A 61 20.896 24.815 11.508 1.00 50.07 C ATOM 962 C ILE A 61 20.451 24.975 10.057 1.00 50.51 C ATOM 963 O ILE A 61 21.258 24.525 9.191 1.00 49.49 O ATOM 964 CB ILE A 61 22.420 25.019 11.591 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.886 24.966 13.049 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.816 26.340 10.950 1.00 49.73 C ATOM 967 CD1 ILE A 61 22.272 26.032 13.925 1.00 49.73 C ATOM 0 H ILE A 61 21.161 22.738 11.900 1.00 49.53 H new ATOM 0 HA ILE A 61 20.402 25.570 12.119 1.00 50.07 H new ATOM 0 HB ILE A 61 22.908 24.213 11.043 1.00 49.91 H new ATOM 0 HG12 ILE A 61 22.645 23.986 13.462 1.00 49.82 H new ATOM 0 HG13 ILE A 61 23.971 25.066 13.078 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.896 26.468 11.018 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.515 26.341 9.902 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.320 27.160 11.470 1.00 49.73 H new ATOM 0 HD11 ILE A 61 22.650 25.930 14.942 1.00 49.73 H new ATOM 0 HD12 ILE A 61 22.534 27.017 13.538 1.00 49.73 H new ATOM 0 HD13 ILE A 61 21.188 25.920 13.928 1.00 49.73 H new ATOM 979 N GLN A 62 19.307 25.552 9.814 1.00 49.53 N ATOM 980 CA GLN A 62 18.734 25.704 8.444 1.00 50.07 C ATOM 981 C GLN A 62 18.988 27.099 7.869 1.00 50.51 C ATOM 982 O GLN A 62 19.488 27.980 8.588 1.00 49.49 O ATOM 983 CB GLN A 62 17.229 25.421 8.463 1.00 49.82 C ATOM 984 CG GLN A 62 16.872 23.945 8.505 1.00 49.82 C ATOM 985 CD GLN A 62 17.309 23.207 7.253 1.00 50.55 C ATOM 986 OE1 GLN A 62 18.439 23.366 6.786 1.00 49.45 O ATOM 987 NE2 GLN A 62 16.410 22.400 6.701 1.00 49.38 N ATOM 0 H GLN A 62 18.717 25.944 10.547 1.00 49.53 H new ATOM 0 HA GLN A 62 19.235 24.980 7.802 1.00 50.07 H new ATOM 0 HB2 GLN A 62 16.789 25.914 9.330 1.00 49.82 H new ATOM 0 HB3 GLN A 62 16.776 25.868 7.578 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.340 23.486 9.376 1.00 49.82 H new ATOM 0 HG3 GLN A 62 15.794 23.838 8.629 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.487 22.300 7.123 1.00 49.38 H new ATOM 0 HE22 GLN A 62 16.643 21.880 5.855 1.00 49.38 H new ATOM 996 N LYS A 63 18.765 27.281 6.569 1.00 49.53 N ATOM 997 CA LYS A 63 19.030 28.536 5.900 1.00 50.07 C ATOM 998 C LYS A 63 18.454 29.831 6.467 1.00 50.51 C ATOM 999 O LYS A 63 17.297 29.941 6.841 1.00 49.49 O ATOM 1000 CB LYS A 63 18.605 28.421 4.436 1.00 49.82 C ATOM 1001 CG LYS A 63 19.581 27.649 3.557 1.00 49.82 C ATOM 1002 CD LYS A 63 19.074 27.544 2.126 1.00 49.82 C ATOM 1003 CE LYS A 63 19.977 26.659 1.281 1.00 50.21 C ATOM 1004 NZ LYS A 63 21.314 27.276 1.062 1.00 49.70 N ATOM 0 H LYS A 63 18.394 26.555 5.955 1.00 49.53 H new ATOM 0 HA LYS A 63 20.102 28.657 6.058 1.00 50.07 H new ATOM 0 HB2 LYS A 63 17.631 27.935 4.390 1.00 49.82 H new ATOM 0 HB3 LYS A 63 18.481 29.423 4.026 1.00 49.82 H new ATOM 0 HG2 LYS A 63 20.552 28.145 3.565 1.00 49.82 H new ATOM 0 HG3 LYS A 63 19.730 26.650 3.966 1.00 49.82 H new ATOM 0 HD2 LYS A 63 18.062 27.139 2.126 1.00 49.82 H new ATOM 0 HD3 LYS A 63 19.020 28.539 1.684 1.00 49.82 H new ATOM 0 HE2 LYS A 63 20.099 25.693 1.771 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.502 26.471 0.318 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 21.875 26.673 0.426 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 21.196 28.216 0.633 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.806 27.370 1.973 1.00 49.70 H new ATOM 1018 N GLU A 64 19.361 30.818 6.516 1.00 49.53 N ATOM 1019 CA GLU A 64 19.110 32.153 6.992 1.00 50.07 C ATOM 1020 C GLU A 64 19.075 32.192 8.491 1.00 50.51 C ATOM 1021 O GLU A 64 18.583 33.159 9.124 1.00 49.49 O ATOM 1022 CB GLU A 64 17.797 32.689 6.419 1.00 49.82 C ATOM 1023 CG GLU A 64 17.744 32.729 4.899 1.00 49.72 C ATOM 1024 CD GLU A 64 18.889 33.522 4.332 1.00 50.62 C ATOM 1025 OE1 GLU A 64 19.045 34.658 4.711 1.00 49.24 O ATOM 1026 OE2 GLU A 64 19.674 32.959 3.607 1.00 49.24 O ATOM 0 H GLU A 64 20.324 30.685 6.208 1.00 49.53 H new ATOM 0 HA GLU A 64 19.927 32.790 6.652 1.00 50.07 H new ATOM 0 HB2 GLU A 64 16.977 32.070 6.783 1.00 49.82 H new ATOM 0 HB3 GLU A 64 17.631 33.696 6.803 1.00 49.82 H new ATOM 0 HG2 GLU A 64 17.773 31.713 4.505 1.00 49.72 H new ATOM 0 HG3 GLU A 64 16.800 33.169 4.578 1.00 49.72 H new ATOM 1033 N SER A 65 19.729 31.208 9.087 1.00 49.53 N ATOM 1034 CA SER A 65 19.913 31.119 10.541 1.00 50.07 C ATOM 1035 C SER A 65 21.092 31.974 11.063 1.00 50.51 C ATOM 1036 O SER A 65 22.104 32.112 10.384 1.00 49.49 O ATOM 1037 CB SER A 65 20.104 29.671 10.947 1.00 50.05 C ATOM 1038 OG SER A 65 18.906 28.947 10.896 1.00 49.34 O ATOM 0 H SER A 65 20.155 30.435 8.575 1.00 49.53 H new ATOM 0 HA SER A 65 19.010 31.524 10.997 1.00 50.07 H new ATOM 0 HB2 SER A 65 20.837 29.204 10.289 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.510 29.629 11.958 1.00 50.05 H new ATOM 0 HG SER A 65 18.861 28.447 10.054 1.00 49.34 H new ATOM 1044 N THR A 66 20.940 32.542 12.229 1.00 49.53 N ATOM 1045 CA THR A 66 22.007 33.308 12.885 1.00 50.07 C ATOM 1046 C THR A 66 22.717 32.531 13.993 1.00 50.51 C ATOM 1047 O THR A 66 22.018 31.881 14.802 1.00 49.49 O ATOM 1048 CB THR A 66 21.466 34.624 13.474 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.560 34.333 14.546 1.00 49.34 O ATOM 1050 CG2 THR A 66 20.741 35.428 12.406 1.00 49.73 C ATOM 0 H THR A 66 20.075 32.496 12.767 1.00 49.53 H new ATOM 0 HA THR A 66 22.735 33.516 12.101 1.00 50.07 H new ATOM 0 HB THR A 66 22.306 35.210 13.847 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.796 33.472 14.949 1.00 49.34 H new ATOM 0 HG21 THR A 66 20.366 36.355 12.840 1.00 49.73 H new ATOM 0 HG22 THR A 66 21.431 35.661 11.595 1.00 49.73 H new ATOM 0 HG23 THR A 66 19.906 34.846 12.016 1.00 49.73 H new ATOM 1058 N LEU A 67 24.055 32.528 13.990 1.00 49.53 N ATOM 1059 CA LEU A 67 24.796 31.893 15.085 1.00 50.07 C ATOM 1060 C LEU A 67 25.255 33.048 16.002 1.00 50.51 C ATOM 1061 O LEU A 67 25.626 34.069 15.402 1.00 49.49 O ATOM 1062 CB LEU A 67 25.992 31.095 14.551 1.00 49.82 C ATOM 1063 CG LEU A 67 26.644 30.141 15.560 1.00 49.91 C ATOM 1064 CD1 LEU A 67 25.679 29.016 15.912 1.00 49.73 C ATOM 1065 CD2 LEU A 67 27.932 29.583 14.974 1.00 49.73 C ATOM 0 H LEU A 67 24.634 32.946 13.262 1.00 49.53 H new ATOM 0 HA LEU A 67 24.177 31.178 15.627 1.00 50.07 H new ATOM 0 HB2 LEU A 67 25.666 30.516 13.687 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.748 31.797 14.198 1.00 49.82 H new ATOM 0 HG LEU A 67 26.882 30.685 16.474 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.150 28.343 16.629 1.00 49.73 H new ATOM 0 HD12 LEU A 67 24.774 29.437 16.350 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.422 28.462 15.009 1.00 49.73 H new ATOM 0 HD21 LEU A 67 28.395 28.905 15.692 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.709 29.041 14.055 1.00 49.73 H new ATOM 0 HD23 LEU A 67 28.617 30.402 14.755 1.00 49.73 H new ATOM 1077 N HIS A 68 25.183 32.871 17.272 1.00 49.53 N ATOM 1078 CA HIS A 68 25.658 33.940 18.183 1.00 50.07 C ATOM 1079 C HIS A 68 27.054 33.702 18.754 1.00 50.51 C ATOM 1080 O HIS A 68 27.277 32.739 19.518 1.00 49.49 O ATOM 1081 CB HIS A 68 24.666 34.135 19.334 1.00 49.92 C ATOM 1082 CG HIS A 68 23.268 34.425 18.880 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.425 33.447 18.396 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.567 35.582 18.837 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.264 33.990 18.074 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.325 35.284 18.332 1.00 49.64 N ATOM 0 H HIS A 68 24.817 32.035 17.728 1.00 49.53 H new ATOM 0 HA HIS A 68 25.722 34.839 17.570 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.659 33.237 19.952 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.011 34.954 19.965 1.00 49.92 H new ATOM 0 HD1 HIS A 68 22.661 32.459 18.301 1.00 49.30 H new ATOM 0 HD2 HIS A 68 22.918 36.557 19.142 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.411 33.465 17.669 1.00 50.25 H new ATOM 1094 N LEU A 69 27.983 34.592 18.442 1.00 49.53 N ATOM 1095 CA LEU A 69 29.338 34.521 18.980 1.00 50.07 C ATOM 1096 C LEU A 69 29.559 35.279 20.254 1.00 50.51 C ATOM 1097 O LEU A 69 29.509 36.560 20.201 1.00 49.49 O ATOM 1098 CB LEU A 69 30.337 34.997 17.919 1.00 49.82 C ATOM 1099 CG LEU A 69 31.807 34.993 18.359 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.253 33.572 18.676 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.669 35.595 17.259 1.00 49.73 C ATOM 0 H LEU A 69 27.824 35.380 17.814 1.00 49.53 H new ATOM 0 HA LEU A 69 29.495 33.473 19.235 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.236 34.364 17.038 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.067 36.009 17.617 1.00 49.82 H new ATOM 0 HG LEU A 69 31.918 35.595 19.261 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.298 33.579 18.987 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.638 33.168 19.480 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.144 32.950 17.788 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.713 35.592 17.572 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.561 35.005 16.349 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.351 36.620 17.067 1.00 49.73 H new ATOM 1113 N VAL A 70 29.681 34.634 21.368 1.00 49.53 N ATOM 1114 CA VAL A 70 30.009 35.338 22.641 1.00 50.07 C ATOM 1115 C VAL A 70 31.441 35.043 23.114 1.00 50.51 C ATOM 1116 O VAL A 70 31.881 33.875 23.031 1.00 49.49 O ATOM 1117 CB VAL A 70 29.025 34.956 23.763 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.282 35.797 25.005 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.589 35.128 23.294 1.00 49.73 C ATOM 0 H VAL A 70 29.566 33.625 21.460 1.00 49.53 H new ATOM 0 HA VAL A 70 29.924 36.404 22.428 1.00 50.07 H new ATOM 0 HB VAL A 70 29.182 33.908 24.016 1.00 49.91 H new ATOM 0 HG11 VAL A 70 28.578 35.514 25.788 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.301 35.628 25.354 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.152 36.852 24.764 1.00 49.73 H new ATOM 0 HG21 VAL A 70 26.908 34.854 24.099 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.420 36.168 23.014 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.409 34.486 22.432 1.00 49.73 H new ATOM 1129 N LEU A 71 32.151 36.053 23.562 1.00 49.53 N ATOM 1130 CA LEU A 71 33.527 35.852 24.068 1.00 50.07 C ATOM 1131 C LEU A 71 33.711 35.062 25.337 1.00 50.51 C ATOM 1132 O LEU A 71 32.811 35.003 26.197 1.00 49.49 O ATOM 1133 CB LEU A 71 34.205 37.218 24.231 1.00 49.82 C ATOM 1134 CG LEU A 71 34.590 37.917 22.921 1.00 49.91 C ATOM 1135 CD1 LEU A 71 34.944 39.373 23.189 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.760 37.186 22.280 1.00 49.73 C ATOM 0 H LEU A 71 31.821 37.018 23.595 1.00 49.53 H new ATOM 0 HA LEU A 71 33.986 35.222 23.306 1.00 50.07 H new ATOM 0 HB2 LEU A 71 33.537 37.873 24.791 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.104 37.090 24.834 1.00 49.82 H new ATOM 0 HG LEU A 71 33.744 37.894 22.235 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.216 39.860 22.252 1.00 49.73 H new ATOM 0 HD12 LEU A 71 34.085 39.882 23.626 1.00 49.73 H new ATOM 0 HD13 LEU A 71 35.785 39.422 23.880 1.00 49.73 H new ATOM 0 HD21 LEU A 71 36.033 37.683 21.349 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.612 37.196 22.960 1.00 49.73 H new ATOM 0 HD23 LEU A 71 35.474 36.155 22.071 1.00 49.73 H new ATOM 1148 N ARG A 72 34.845 34.493 25.518 1.00 49.53 N ATOM 1149 CA ARG A 72 35.193 33.735 26.738 1.00 50.07 C ATOM 1150 C ARG A 72 36.611 34.143 27.131 1.00 50.51 C ATOM 1151 O ARG A 72 37.495 33.300 26.774 1.00 49.49 O ATOM 1152 CB ARG A 72 35.054 32.231 26.558 1.00 49.82 C ATOM 1153 CG ARG A 72 35.550 31.398 27.729 1.00 49.82 C ATOM 1154 CD ARG A 72 34.694 31.473 28.941 1.00 50.20 C ATOM 1155 NE ARG A 72 35.114 30.606 30.030 1.00 49.30 N ATOM 1156 CZ ARG A 72 34.614 30.652 31.280 1.00 50.64 C ATOM 1157 NH1 ARG A 72 33.708 31.544 31.615 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.078 29.792 32.170 1.00 49.20 N ATOM 0 H ARG A 72 35.596 34.521 24.829 1.00 49.53 H new ATOM 0 HA ARG A 72 34.493 33.978 27.537 1.00 50.07 H new ATOM 0 HB2 ARG A 72 34.004 31.996 26.383 1.00 49.82 H new ATOM 0 HB3 ARG A 72 35.601 31.935 25.663 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.622 30.357 27.414 1.00 49.82 H new ATOM 0 HG3 ARG A 72 36.557 31.723 27.990 1.00 49.82 H new ATOM 0 HD2 ARG A 72 34.681 32.503 29.298 1.00 50.20 H new ATOM 0 HD3 ARG A 72 33.671 31.218 28.664 1.00 50.20 H new ATOM 0 HE ARG A 72 35.838 29.915 29.834 1.00 49.30 H new ATOM 0 HH11 ARG A 72 33.373 32.215 30.924 1.00 49.20 H new ATOM 0 HH12 ARG A 72 33.340 31.565 32.566 1.00 49.20 H new ATOM 0 HH21 ARG A 72 35.795 29.118 31.902 1.00 49.20 H new ATOM 0 HH22 ARG A 72 34.719 29.802 33.125 1.00 49.20 H new ATOM 1172 N LEU A 73 36.835 35.266 27.729 1.00 49.53 N ATOM 1173 CA LEU A 73 38.223 35.652 28.089 1.00 50.07 C ATOM 1174 C LEU A 73 38.849 34.925 29.271 1.00 50.51 C ATOM 1175 O LEU A 73 38.198 34.695 30.302 1.00 49.49 O ATOM 1176 CB LEU A 73 38.280 37.164 28.337 1.00 49.82 C ATOM 1177 CG LEU A 73 38.099 38.038 27.089 1.00 49.91 C ATOM 1178 CD1 LEU A 73 38.301 39.505 27.444 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.087 37.603 26.016 1.00 49.73 C ATOM 0 H LEU A 73 36.116 35.941 27.988 1.00 49.53 H new ATOM 0 HA LEU A 73 38.822 35.346 27.232 1.00 50.07 H new ATOM 0 HB2 LEU A 73 37.508 37.427 29.060 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.240 37.405 28.794 1.00 49.82 H new ATOM 0 HG LEU A 73 37.086 37.917 26.705 1.00 49.91 H new ATOM 0 HD11 LEU A 73 38.170 40.117 26.551 1.00 49.73 H new ATOM 0 HD12 LEU A 73 37.571 39.801 28.197 1.00 49.73 H new ATOM 0 HD13 LEU A 73 39.307 39.649 27.838 1.00 49.73 H new ATOM 0 HD21 LEU A 73 38.958 38.224 25.130 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.104 37.713 26.392 1.00 49.73 H new ATOM 0 HD23 LEU A 73 38.907 36.560 25.757 1.00 49.73 H new ATOM 1191 N ARG A 74 40.124 34.619 29.094 1.00 49.53 N ATOM 1192 CA ARG A 74 40.910 33.906 30.115 1.00 50.07 C ATOM 1193 C ARG A 74 41.458 34.931 31.103 1.00 50.51 C ATOM 1194 O ARG A 74 42.612 35.382 30.978 1.00 49.49 O ATOM 1195 CB ARG A 74 42.012 33.048 29.510 1.00 49.82 C ATOM 1196 CG ARG A 74 42.912 32.358 30.523 1.00 49.82 C ATOM 1197 CD ARG A 74 43.913 31.438 29.924 1.00 50.20 C ATOM 1198 NE ARG A 74 44.891 32.087 29.066 1.00 49.30 N ATOM 1199 CZ ARG A 74 45.658 31.449 28.161 1.00 50.64 C ATOM 1200 NH1 ARG A 74 45.596 30.143 28.021 1.00 49.20 N ATOM 1201 NH2 ARG A 74 46.497 32.168 27.435 1.00 49.20 N ATOM 0 H ARG A 74 40.649 34.851 28.251 1.00 49.53 H new ATOM 0 HA ARG A 74 40.260 33.205 30.639 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.555 32.289 28.875 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.628 33.675 28.865 1.00 49.82 H new ATOM 0 HG2 ARG A 74 43.435 33.118 31.103 1.00 49.82 H new ATOM 0 HG3 ARG A 74 42.291 31.796 31.220 1.00 49.82 H new ATOM 0 HD2 ARG A 74 44.439 30.921 30.727 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.388 30.678 29.345 1.00 50.20 H new ATOM 0 HE ARG A 74 45.004 33.097 29.156 1.00 49.30 H new ATOM 0 HH11 ARG A 74 44.960 29.597 28.603 1.00 49.20 H new ATOM 0 HH12 ARG A 74 46.184 29.676 27.331 1.00 49.20 H new ATOM 0 HH21 ARG A 74 46.551 33.178 27.568 1.00 49.20 H new ATOM 0 HH22 ARG A 74 47.091 31.713 26.742 1.00 49.20 H new ATOM 1215 N GLY A 75 40.608 35.290 32.057 1.00 49.53 N ATOM 1216 CA GLY A 75 40.943 36.246 33.105 1.00 49.98 C ATOM 1217 C GLY A 75 40.318 37.622 32.991 1.00 50.51 C ATOM 1218 O GLY A 75 39.895 38.070 31.911 1.00 49.49 O ATOM 0 H GLY A 75 39.659 34.923 32.126 1.00 49.53 H new ATOM 0 HA2 GLY A 75 40.651 35.817 34.064 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.026 36.364 33.125 1.00 49.98 H new ATOM 1222 N GLY A 76 40.205 38.251 34.145 1.00 49.53 N ATOM 1223 CA GLY A 76 39.648 39.603 34.311 1.00 49.98 C ATOM 1224 C GLY A 76 39.266 39.761 35.792 1.00 50.51 C ATOM 1225 O GLY A 76 38.161 40.290 36.024 1.00 49.49 O ATOM 0 H GLY A 76 40.504 37.833 35.026 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.378 40.358 34.020 1.00 49.98 H new ATOM 0 HA3 GLY A 76 38.776 39.740 33.672 1.00 49.98 H new