USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 Single : A 1 MET CE :methyl -169:sc= 0 (180deg=-0.147) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.124 (180deg=0.0637) USER MOD Single : A 2 GLN : amide:sc= -2.89! C(o=-2.9!,f=-8.3!) USER MOD Single : A 6 LYS NZ :NH3+ -164:sc= -0.0257 (180deg=-0.296) USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.425 USER MOD Single : A 9 THR OG1 : rot 180:sc= 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 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.402 USER MOD Single : A 25 ASN : amide:sc= -0.76 X(o=-0.76,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ -134:sc= 0.326 (180deg=0.000134) 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=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0314) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 41 GLN : amide:sc= -1.19 K(o=-1.2,f=-5.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 57 SER OG : rot 84:sc= 0.665 USER MOD Single : A 59 TYR OH : rot 30:sc= -1.75! USER MOD Single : A 60 ASN : amide:sc=-0.00579 K(o=-0.0058,f=-0.91) USER MOD Single : A 62 GLN : amide:sc= -1.46! K(o=-1.5!,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 93:sc= 0.818 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.907 24.784 2.723 1.00 49.53 N ATOM 2 CA MET A 1 25.833 25.762 2.973 1.00 50.07 C ATOM 3 C MET A 1 26.458 26.945 3.751 1.00 50.51 C ATOM 4 O MET A 1 27.255 26.703 4.658 1.00 49.49 O ATOM 5 CB MET A 1 24.710 25.135 3.755 1.00 49.82 C ATOM 6 CG MET A 1 24.964 25.042 5.235 1.00 49.86 C ATOM 7 SD MET A 1 23.588 24.037 5.961 1.00 49.91 S ATOM 8 CE MET A 1 24.118 23.989 7.673 1.00 49.78 C ATOM 0 H1 MET A 1 26.489 23.862 2.484 1.00 49.53 H new ATOM 0 H2 MET A 1 27.497 25.111 1.932 1.00 49.53 H new ATOM 0 H3 MET A 1 27.494 24.687 3.576 1.00 49.53 H new ATOM 0 HA MET A 1 25.407 26.110 2.032 1.00 50.07 H new ATOM 0 HB2 MET A 1 23.801 25.713 3.590 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.526 24.134 3.366 1.00 49.82 H new ATOM 0 HG2 MET A 1 25.928 24.574 5.432 1.00 49.86 H new ATOM 0 HG3 MET A 1 24.994 26.035 5.684 1.00 49.86 H new ATOM 0 HE1 MET A 1 23.515 23.264 8.220 1.00 49.78 H new ATOM 0 HE2 MET A 1 25.167 23.698 7.721 1.00 49.78 H new ATOM 0 HE3 MET A 1 23.994 24.975 8.120 1.00 49.78 H new ATOM 18 N GLN A 2 26.057 28.115 3.356 1.00 49.53 N ATOM 19 CA GLN A 2 26.564 29.334 4.063 1.00 50.07 C ATOM 20 C GLN A 2 25.677 29.656 5.257 1.00 50.51 C ATOM 21 O GLN A 2 24.421 29.539 5.227 1.00 49.49 O ATOM 22 CB GLN A 2 26.610 30.531 3.109 1.00 49.82 C ATOM 23 CG GLN A 2 27.609 30.385 1.975 1.00 49.82 C ATOM 24 CD GLN A 2 29.044 30.377 2.465 1.00 50.55 C ATOM 25 OE1 GLN A 2 29.392 29.653 3.401 1.00 49.45 O ATOM 26 NE2 GLN A 2 29.887 31.190 1.837 1.00 49.38 N ATOM 0 H GLN A 2 25.410 28.288 2.587 1.00 49.53 H new ATOM 0 HA GLN A 2 27.575 29.131 4.415 1.00 50.07 H new ATOM 0 HB2 GLN A 2 25.617 30.683 2.686 1.00 49.82 H new ATOM 0 HB3 GLN A 2 26.854 31.427 3.680 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.408 29.460 1.434 1.00 49.82 H new ATOM 0 HG3 GLN A 2 27.474 31.204 1.268 1.00 49.82 H new ATOM 0 HE21 GLN A 2 29.556 31.772 1.067 1.00 49.38 H new ATOM 0 HE22 GLN A 2 30.865 31.232 2.125 1.00 49.38 H new ATOM 35 N ILE A 3 26.323 30.011 6.357 1.00 49.53 N ATOM 36 CA ILE A 3 25.591 30.491 7.544 1.00 50.07 C ATOM 37 C ILE A 3 26.355 31.745 8.062 1.00 50.51 C ATOM 38 O ILE A 3 27.500 31.876 7.664 1.00 49.49 O ATOM 39 CB ILE A 3 25.517 29.425 8.653 1.00 49.91 C ATOM 40 CG1 ILE A 3 26.914 29.140 9.212 1.00 49.82 C ATOM 41 CG2 ILE A 3 24.882 28.149 8.124 1.00 49.73 C ATOM 42 CD1 ILE A 3 26.904 28.421 10.541 1.00 49.73 C ATOM 0 H ILE A 3 27.337 29.981 6.464 1.00 49.53 H new ATOM 0 HA ILE A 3 24.561 30.724 7.272 1.00 50.07 H new ATOM 0 HB ILE A 3 24.894 29.808 9.461 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.469 28.541 8.490 1.00 49.82 H new ATOM 0 HG13 ILE A 3 27.450 30.083 9.323 1.00 49.82 H new ATOM 0 HG21 ILE A 3 24.838 27.407 8.921 1.00 49.73 H new ATOM 0 HG22 ILE A 3 23.873 28.364 7.772 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.479 27.760 7.299 1.00 49.73 H new ATOM 0 HD11 ILE A 3 27.929 28.254 10.872 1.00 49.73 H new ATOM 0 HD12 ILE A 3 26.378 29.027 11.279 1.00 49.73 H new ATOM 0 HD13 ILE A 3 26.398 27.462 10.432 1.00 49.73 H new ATOM 54 N PHE A 4 25.640 32.500 8.862 1.00 49.53 N ATOM 55 CA PHE A 4 26.302 33.737 9.425 1.00 50.07 C ATOM 56 C PHE A 4 26.947 33.668 10.781 1.00 50.51 C ATOM 57 O PHE A 4 26.397 32.929 11.611 1.00 49.49 O ATOM 58 CB PHE A 4 25.295 34.889 9.426 1.00 49.82 C ATOM 59 CG PHE A 4 24.842 35.299 8.053 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.682 36.014 7.214 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.574 34.968 7.599 1.00 49.88 C ATOM 62 CE1 PHE A 4 25.267 36.392 5.953 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.156 35.344 6.336 1.00 49.88 C ATOM 64 CZ PHE A 4 24.002 36.057 5.513 1.00 49.88 C ATOM 0 H PHE A 4 24.674 32.333 9.144 1.00 49.53 H new ATOM 0 HA PHE A 4 27.148 33.878 8.752 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.425 34.598 10.014 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.742 35.750 9.923 1.00 49.82 H new ATOM 0 HD1 PHE A 4 26.673 36.279 7.551 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.906 34.411 8.239 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.932 36.950 5.310 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.166 35.079 5.994 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.676 36.353 4.527 1.00 49.88 H new ATOM 74 N VAL A 5 28.016 34.406 11.066 1.00 49.53 N ATOM 75 CA VAL A 5 28.604 34.426 12.391 1.00 50.07 C ATOM 76 C VAL A 5 28.292 35.820 12.986 1.00 50.51 C ATOM 77 O VAL A 5 28.779 36.752 12.335 1.00 49.49 O ATOM 78 CB VAL A 5 30.127 34.198 12.356 1.00 49.91 C ATOM 79 CG1 VAL A 5 30.686 34.123 13.768 1.00 49.73 C ATOM 80 CG2 VAL A 5 30.459 32.930 11.584 1.00 49.73 C ATOM 0 H VAL A 5 28.492 35.001 10.387 1.00 49.53 H new ATOM 0 HA VAL A 5 28.187 33.619 12.994 1.00 50.07 H new ATOM 0 HB VAL A 5 30.590 35.043 11.846 1.00 49.91 H new ATOM 0 HG11 VAL A 5 31.763 33.962 13.725 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.480 35.057 14.291 1.00 49.73 H new ATOM 0 HG13 VAL A 5 30.216 33.297 14.302 1.00 49.73 H new ATOM 0 HG21 VAL A 5 31.539 32.785 11.570 1.00 49.73 H new ATOM 0 HG22 VAL A 5 29.985 32.075 12.067 1.00 49.73 H new ATOM 0 HG23 VAL A 5 30.091 33.020 10.562 1.00 49.73 H new ATOM 90 N LYS A 6 27.550 35.858 14.037 1.00 49.53 N ATOM 91 CA LYS A 6 27.167 37.177 14.650 1.00 50.07 C ATOM 92 C LYS A 6 27.956 37.571 15.869 1.00 50.51 C ATOM 93 O LYS A 6 27.751 37.002 16.966 1.00 49.49 O ATOM 94 CB LYS A 6 25.676 37.178 14.991 1.00 49.82 C ATOM 95 CG LYS A 6 24.757 36.986 13.792 1.00 49.82 C ATOM 96 CD LYS A 6 25.044 38.012 12.705 1.00 49.82 C ATOM 97 CE LYS A 6 24.574 39.399 13.114 1.00 50.21 C ATOM 98 NZ LYS A 6 23.093 39.475 13.229 1.00 49.70 N ATOM 0 H LYS A 6 27.180 35.036 14.515 1.00 49.53 H new ATOM 0 HA LYS A 6 27.405 37.922 13.891 1.00 50.07 H new ATOM 0 HB2 LYS A 6 25.480 36.386 15.714 1.00 49.82 H new ATOM 0 HB3 LYS A 6 25.427 38.122 15.477 1.00 49.82 H new ATOM 0 HG2 LYS A 6 24.886 35.981 13.390 1.00 49.82 H new ATOM 0 HG3 LYS A 6 23.718 37.071 14.110 1.00 49.82 H new ATOM 0 HD2 LYS A 6 26.114 38.035 12.498 1.00 49.82 H new ATOM 0 HD3 LYS A 6 24.547 37.715 11.782 1.00 49.82 H new ATOM 0 HE2 LYS A 6 25.026 39.668 14.069 1.00 50.21 H new ATOM 0 HE3 LYS A 6 24.919 40.129 12.382 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 22.796 40.472 13.240 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.657 38.992 12.418 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.789 39.014 14.110 1.00 49.70 H new ATOM 112 N THR A 7 28.869 38.556 15.721 1.00 49.53 N ATOM 113 CA THR A 7 29.677 38.994 16.870 1.00 50.07 C ATOM 114 C THR A 7 28.880 39.999 17.707 1.00 50.51 C ATOM 115 O THR A 7 27.777 40.353 17.283 1.00 49.49 O ATOM 116 CB THR A 7 31.003 39.638 16.426 1.00 50.14 C ATOM 117 OG1 THR A 7 30.742 40.925 15.848 1.00 49.34 O ATOM 118 CG2 THR A 7 31.703 38.759 15.401 1.00 49.73 C ATOM 0 H THR A 7 29.058 39.046 14.847 1.00 49.53 H new ATOM 0 HA THR A 7 29.914 38.111 17.464 1.00 50.07 H new ATOM 0 HB THR A 7 31.648 39.748 17.298 1.00 50.14 H new ATOM 0 HG1 THR A 7 31.562 41.462 15.861 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.639 39.229 15.097 1.00 49.73 H new ATOM 0 HG22 THR A 7 31.912 37.784 15.840 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.060 38.634 14.529 1.00 49.73 H new ATOM 126 N LEU A 8 29.443 40.482 18.793 1.00 49.53 N ATOM 127 CA LEU A 8 28.719 41.425 19.675 1.00 50.07 C ATOM 128 C LEU A 8 28.443 42.841 19.213 1.00 50.51 C ATOM 129 O LEU A 8 27.377 43.398 19.537 1.00 49.49 O ATOM 130 CB LEU A 8 29.440 41.485 21.028 1.00 49.82 C ATOM 131 CG LEU A 8 29.483 40.164 21.805 1.00 49.91 C ATOM 132 CD1 LEU A 8 30.120 40.381 23.170 1.00 49.73 C ATOM 133 CD2 LEU A 8 28.073 39.613 21.950 1.00 49.73 C ATOM 0 H LEU A 8 30.388 40.252 19.100 1.00 49.53 H new ATOM 0 HA LEU A 8 27.719 40.991 19.699 1.00 50.07 H new ATOM 0 HB2 LEU A 8 30.463 41.823 20.862 1.00 49.82 H new ATOM 0 HB3 LEU A 8 28.952 42.237 21.648 1.00 49.82 H new ATOM 0 HG LEU A 8 30.088 39.441 21.258 1.00 49.91 H new ATOM 0 HD11 LEU A 8 30.146 39.437 23.714 1.00 49.73 H new ATOM 0 HD12 LEU A 8 31.136 40.754 23.042 1.00 49.73 H new ATOM 0 HD13 LEU A 8 29.535 41.108 23.733 1.00 49.73 H new ATOM 0 HD21 LEU A 8 28.104 38.674 22.502 1.00 49.73 H new ATOM 0 HD22 LEU A 8 27.455 40.331 22.490 1.00 49.73 H new ATOM 0 HD23 LEU A 8 27.647 39.439 20.962 1.00 49.73 H new ATOM 145 N THR A 9 29.365 43.434 18.429 1.00 49.53 N ATOM 146 CA THR A 9 29.047 44.837 17.996 1.00 50.07 C ATOM 147 C THR A 9 28.422 44.990 16.643 1.00 50.51 C ATOM 148 O THR A 9 27.937 46.072 16.263 1.00 49.49 O ATOM 149 CB THR A 9 30.309 45.719 18.040 1.00 50.14 C ATOM 150 OG1 THR A 9 31.315 45.162 17.185 1.00 49.34 O ATOM 151 CG2 THR A 9 30.847 45.807 19.460 1.00 49.73 C ATOM 0 H THR A 9 30.245 43.033 18.104 1.00 49.53 H new ATOM 0 HA THR A 9 28.293 45.155 18.716 1.00 50.07 H new ATOM 0 HB THR A 9 30.047 46.720 17.698 1.00 50.14 H new ATOM 0 HG1 THR A 9 32.116 45.725 17.213 1.00 49.34 H new ATOM 0 HG21 THR A 9 31.739 46.434 19.473 1.00 49.73 H new ATOM 0 HG22 THR A 9 30.088 46.242 20.110 1.00 49.73 H new ATOM 0 HG23 THR A 9 31.100 44.808 19.816 1.00 49.73 H new ATOM 159 N GLY A 10 28.366 43.945 15.877 1.00 49.53 N ATOM 160 CA GLY A 10 27.788 43.946 14.552 1.00 49.98 C ATOM 161 C GLY A 10 28.621 43.592 13.356 1.00 50.51 C ATOM 162 O GLY A 10 28.521 44.253 12.298 1.00 49.49 O ATOM 0 H GLY A 10 28.731 43.035 16.158 1.00 49.53 H new ATOM 0 HA2 GLY A 10 26.943 43.258 14.570 1.00 49.98 H new ATOM 0 HA3 GLY A 10 27.384 44.943 14.378 1.00 49.98 H new ATOM 166 N LYS A 11 29.488 42.626 13.517 1.00 49.53 N ATOM 167 CA LYS A 11 30.290 42.102 12.420 1.00 50.07 C ATOM 168 C LYS A 11 29.621 40.859 11.787 1.00 50.51 C ATOM 169 O LYS A 11 29.205 40.001 12.558 1.00 49.49 O ATOM 170 CB LYS A 11 31.697 41.753 12.904 1.00 49.82 C ATOM 171 CG LYS A 11 32.504 42.945 13.403 1.00 49.82 C ATOM 172 CD LYS A 11 33.076 43.750 12.246 1.00 49.82 C ATOM 173 CE LYS A 11 33.919 44.914 12.744 1.00 50.21 C ATOM 174 NZ LYS A 11 34.439 45.744 11.624 1.00 49.70 N ATOM 0 H LYS A 11 29.665 42.173 14.413 1.00 49.53 H new ATOM 0 HA LYS A 11 30.362 42.878 11.657 1.00 50.07 H new ATOM 0 HB2 LYS A 11 31.621 41.020 13.707 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.241 41.277 12.088 1.00 49.82 H new ATOM 0 HG2 LYS A 11 31.869 43.585 14.015 1.00 49.82 H new ATOM 0 HG3 LYS A 11 33.315 42.596 14.042 1.00 49.82 H new ATOM 0 HD2 LYS A 11 33.684 43.102 11.615 1.00 49.82 H new ATOM 0 HD3 LYS A 11 32.263 44.127 11.626 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.321 45.537 13.409 1.00 50.21 H new ATOM 0 HE3 LYS A 11 34.754 44.532 13.331 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 35.008 46.526 12.007 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 35.031 45.157 11.003 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 33.642 46.130 11.079 1.00 49.70 H new ATOM 188 N THR A 12 29.601 40.811 10.469 1.00 49.53 N ATOM 189 CA THR A 12 29.048 39.598 9.835 1.00 50.07 C ATOM 190 C THR A 12 30.168 38.791 9.178 1.00 50.51 C ATOM 191 O THR A 12 30.740 39.326 8.226 1.00 49.49 O ATOM 192 CB THR A 12 27.984 39.944 8.778 1.00 50.14 C ATOM 193 OG1 THR A 12 26.901 40.649 9.398 1.00 49.34 O ATOM 194 CG2 THR A 12 27.449 38.678 8.125 1.00 49.73 C ATOM 0 H THR A 12 29.934 41.539 9.837 1.00 49.53 H new ATOM 0 HA THR A 12 28.574 39.007 10.618 1.00 50.07 H new ATOM 0 HB THR A 12 28.445 40.570 8.014 1.00 50.14 H new ATOM 0 HG1 THR A 12 26.226 40.870 8.723 1.00 49.34 H new ATOM 0 HG21 THR A 12 26.698 38.942 7.381 1.00 49.73 H new ATOM 0 HG22 THR A 12 28.267 38.144 7.641 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.998 38.039 8.885 1.00 49.73 H new ATOM 202 N ILE A 13 30.367 37.565 9.662 1.00 49.53 N ATOM 203 CA ILE A 13 31.459 36.792 9.003 1.00 50.07 C ATOM 204 C ILE A 13 30.819 35.583 8.380 1.00 50.51 C ATOM 205 O ILE A 13 30.025 34.889 9.045 1.00 49.49 O ATOM 206 CB ILE A 13 32.546 36.354 10.002 1.00 49.91 C ATOM 207 CG1 ILE A 13 33.094 37.565 10.760 1.00 49.82 C ATOM 208 CG2 ILE A 13 33.668 35.621 9.280 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.984 37.203 11.927 1.00 49.73 C ATOM 0 H ILE A 13 29.860 37.110 10.421 1.00 49.53 H new ATOM 0 HA ILE A 13 31.955 37.418 8.261 1.00 50.07 H new ATOM 0 HB ILE A 13 32.098 35.671 10.724 1.00 49.91 H new ATOM 0 HG12 ILE A 13 33.656 38.192 10.067 1.00 49.82 H new ATOM 0 HG13 ILE A 13 32.258 38.163 11.124 1.00 49.82 H new ATOM 0 HG21 ILE A 13 34.428 35.318 10.001 1.00 49.73 H new ATOM 0 HG22 ILE A 13 33.266 34.737 8.784 1.00 49.73 H new ATOM 0 HG23 ILE A 13 34.115 36.282 8.537 1.00 49.73 H new ATOM 0 HD11 ILE A 13 34.333 38.113 12.414 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.421 36.602 12.641 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.840 36.632 11.568 1.00 49.73 H new ATOM 221 N THR A 14 31.124 35.297 7.134 1.00 49.53 N ATOM 222 CA THR A 14 30.513 34.069 6.544 1.00 50.07 C ATOM 223 C THR A 14 31.471 32.913 6.421 1.00 50.51 C ATOM 224 O THR A 14 32.616 33.088 5.927 1.00 49.49 O ATOM 225 CB THR A 14 29.913 34.359 5.156 1.00 50.14 C ATOM 226 OG1 THR A 14 30.938 34.855 4.284 1.00 49.34 O ATOM 227 CG2 THR A 14 28.800 35.390 5.261 1.00 49.73 C ATOM 0 H THR A 14 31.741 35.835 6.526 1.00 49.53 H new ATOM 0 HA THR A 14 29.731 33.779 7.246 1.00 50.07 H new ATOM 0 HB THR A 14 29.500 33.434 4.754 1.00 50.14 H new ATOM 0 HG1 THR A 14 30.556 35.038 3.400 1.00 49.34 H new ATOM 0 HG21 THR A 14 28.388 35.583 4.271 1.00 49.73 H new ATOM 0 HG22 THR A 14 28.014 35.011 5.914 1.00 49.73 H new ATOM 0 HG23 THR A 14 29.200 36.316 5.674 1.00 49.73 H new ATOM 235 N LEU A 15 31.065 31.713 6.805 1.00 49.53 N ATOM 236 CA LEU A 15 31.920 30.548 6.738 1.00 50.07 C ATOM 237 C LEU A 15 31.439 29.412 5.828 1.00 50.51 C ATOM 238 O LEU A 15 30.229 29.350 5.660 1.00 49.49 O ATOM 239 CB LEU A 15 32.154 30.005 8.153 1.00 49.82 C ATOM 240 CG LEU A 15 32.642 31.038 9.177 1.00 49.91 C ATOM 241 CD1 LEU A 15 32.521 30.473 10.586 1.00 49.73 C ATOM 242 CD2 LEU A 15 34.081 31.418 8.870 1.00 49.73 C ATOM 0 H LEU A 15 30.132 31.524 7.171 1.00 49.53 H new ATOM 0 HA LEU A 15 32.842 30.903 6.278 1.00 50.07 H new ATOM 0 HB2 LEU A 15 31.223 29.569 8.516 1.00 49.82 H new ATOM 0 HB3 LEU A 15 32.884 29.198 8.099 1.00 49.82 H new ATOM 0 HG LEU A 15 32.023 31.933 9.114 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.870 31.213 11.306 1.00 49.73 H new ATOM 0 HD12 LEU A 15 31.479 30.229 10.792 1.00 49.73 H new ATOM 0 HD13 LEU A 15 33.128 29.571 10.670 1.00 49.73 H new ATOM 0 HD21 LEU A 15 34.427 32.152 9.598 1.00 49.73 H new ATOM 0 HD22 LEU A 15 34.711 30.530 8.923 1.00 49.73 H new ATOM 0 HD23 LEU A 15 34.139 31.845 7.869 1.00 49.73 H new ATOM 254 N GLU A 16 32.380 28.616 5.381 1.00 49.53 N ATOM 255 CA GLU A 16 31.946 27.409 4.602 1.00 50.07 C ATOM 256 C GLU A 16 31.838 26.257 5.577 1.00 50.51 C ATOM 257 O GLU A 16 32.812 25.963 6.266 1.00 49.49 O ATOM 258 CB GLU A 16 32.942 27.087 3.487 1.00 49.82 C ATOM 259 CG GLU A 16 33.164 28.221 2.495 1.00 49.72 C ATOM 260 CD GLU A 16 34.081 27.799 1.380 1.00 50.62 C ATOM 261 OE1 GLU A 16 35.201 27.443 1.660 1.00 49.24 O ATOM 262 OE2 GLU A 16 33.629 27.725 0.262 1.00 49.24 O ATOM 0 H GLU A 16 33.384 28.737 5.511 1.00 49.53 H new ATOM 0 HA GLU A 16 30.985 27.594 4.122 1.00 50.07 H new ATOM 0 HB2 GLU A 16 33.899 26.821 3.937 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.590 26.210 2.944 1.00 49.82 H new ATOM 0 HG2 GLU A 16 32.207 28.538 2.081 1.00 49.72 H new ATOM 0 HG3 GLU A 16 33.588 29.082 3.012 1.00 49.72 H new ATOM 269 N VAL A 17 30.614 25.755 5.647 1.00 49.53 N ATOM 270 CA VAL A 17 30.277 24.666 6.557 1.00 50.07 C ATOM 271 C VAL A 17 29.595 23.511 5.809 1.00 50.51 C ATOM 272 O VAL A 17 29.147 23.651 4.647 1.00 49.49 O ATOM 273 CB VAL A 17 29.354 25.144 7.694 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.094 26.107 8.611 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.107 25.804 7.127 1.00 49.73 C ATOM 0 H VAL A 17 29.832 26.086 5.082 1.00 49.53 H new ATOM 0 HA VAL A 17 31.215 24.314 6.987 1.00 50.07 H new ATOM 0 HB VAL A 17 29.049 24.275 8.278 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.427 26.435 9.409 1.00 49.73 H new ATOM 0 HG12 VAL A 17 30.959 25.605 9.044 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.427 26.972 8.038 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.467 26.135 7.945 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.394 26.663 6.520 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.565 25.088 6.509 1.00 49.73 H new ATOM 285 N GLU A 18 29.581 22.402 6.514 1.00 49.53 N ATOM 286 CA GLU A 18 28.896 21.180 6.090 1.00 50.07 C ATOM 287 C GLU A 18 28.131 20.592 7.266 1.00 50.51 C ATOM 288 O GLU A 18 28.550 20.692 8.409 1.00 49.49 O ATOM 289 CB GLU A 18 29.896 20.161 5.540 1.00 49.82 C ATOM 290 CG GLU A 18 30.587 20.589 4.253 1.00 49.72 C ATOM 291 CD GLU A 18 31.738 19.679 3.923 1.00 50.62 C ATOM 292 OE1 GLU A 18 32.616 19.543 4.740 1.00 49.24 O ATOM 293 OE2 GLU A 18 31.684 19.034 2.902 1.00 49.24 O ATOM 0 H GLU A 18 30.050 22.312 7.415 1.00 49.53 H new ATOM 0 HA GLU A 18 28.195 21.427 5.293 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.655 19.969 6.299 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.376 19.219 5.363 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.869 20.583 3.433 1.00 49.72 H new ATOM 0 HG3 GLU A 18 30.947 21.613 4.354 1.00 49.72 H new ATOM 300 N PRO A 19 26.991 19.986 6.995 1.00 49.71 N ATOM 301 CA PRO A 19 26.180 19.335 8.026 1.00 50.02 C ATOM 302 C PRO A 19 26.971 18.313 8.804 1.00 50.51 C ATOM 303 O PRO A 19 26.627 17.952 9.938 1.00 49.49 O ATOM 304 CB PRO A 19 25.042 18.666 7.225 1.00 49.82 C ATOM 305 CG PRO A 19 24.907 19.555 6.033 1.00 49.82 C ATOM 306 CD PRO A 19 26.378 19.856 5.650 1.00 50.00 C ATOM 0 HA PRO A 19 25.819 20.040 8.774 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.294 17.644 6.941 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.117 18.618 7.800 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.372 19.062 5.221 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.358 20.466 6.270 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.827 19.052 5.067 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.474 20.768 5.062 1.00 50.00 H new ATOM 314 N SER A 20 28.023 17.782 8.202 1.00 49.53 N ATOM 315 CA SER A 20 28.817 16.740 8.870 1.00 50.07 C ATOM 316 C SER A 20 29.711 17.439 9.867 1.00 50.51 C ATOM 317 O SER A 20 30.071 16.807 10.875 1.00 49.49 O ATOM 318 CB SER A 20 29.631 15.953 7.861 1.00 50.05 C ATOM 319 OG SER A 20 30.749 16.670 7.413 1.00 49.34 O ATOM 0 H SER A 20 28.350 18.042 7.271 1.00 49.53 H new ATOM 0 HA SER A 20 28.170 16.023 9.375 1.00 50.07 H new ATOM 0 HB2 SER A 20 29.958 15.016 8.311 1.00 50.05 H new ATOM 0 HB3 SER A 20 29.001 15.695 7.010 1.00 50.05 H new ATOM 0 HG SER A 20 31.247 16.128 6.766 1.00 49.34 H new ATOM 325 N ASP A 21 30.167 18.645 9.522 1.00 49.53 N ATOM 326 CA ASP A 21 31.067 19.337 10.484 1.00 50.07 C ATOM 327 C ASP A 21 30.525 19.432 11.887 1.00 50.51 C ATOM 328 O ASP A 21 29.302 19.570 12.091 1.00 49.49 O ATOM 329 CB ASP A 21 31.402 20.739 9.970 1.00 49.72 C ATOM 330 CG ASP A 21 32.547 20.784 8.967 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.341 19.873 8.960 1.00 49.24 O ATOM 332 OD2 ASP A 21 32.530 21.640 8.115 1.00 49.24 O ATOM 0 H ASP A 21 29.958 19.143 8.657 1.00 49.53 H new ATOM 0 HA ASP A 21 31.963 18.719 10.546 1.00 50.07 H new ATOM 0 HB2 ASP A 21 30.512 21.165 9.507 1.00 49.72 H new ATOM 0 HB3 ASP A 21 31.654 21.374 10.820 1.00 49.72 H new ATOM 337 N THR A 22 31.419 19.355 12.857 1.00 49.53 N ATOM 338 CA THR A 22 31.069 19.521 14.248 1.00 50.07 C ATOM 339 C THR A 22 31.350 20.978 14.682 1.00 50.51 C ATOM 340 O THR A 22 32.183 21.650 14.068 1.00 49.49 O ATOM 341 CB THR A 22 31.855 18.556 15.154 1.00 50.14 C ATOM 342 OG1 THR A 22 33.237 18.937 15.176 1.00 49.34 O ATOM 343 CG2 THR A 22 31.735 17.128 14.646 1.00 49.73 C ATOM 0 H THR A 22 32.410 19.175 12.697 1.00 49.53 H new ATOM 0 HA THR A 22 30.008 19.293 14.355 1.00 50.07 H new ATOM 0 HB THR A 22 31.440 18.608 16.160 1.00 50.14 H new ATOM 0 HG1 THR A 22 33.762 18.238 15.620 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.297 16.461 15.299 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.686 16.831 14.640 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.135 17.067 13.634 1.00 49.73 H new ATOM 351 N ILE A 23 30.627 21.360 15.737 1.00 49.53 N ATOM 352 CA ILE A 23 30.823 22.672 16.346 1.00 50.07 C ATOM 353 C ILE A 23 32.315 22.874 16.624 1.00 50.51 C ATOM 354 O ILE A 23 32.878 23.969 16.450 1.00 49.49 O ATOM 355 CB ILE A 23 30.032 22.820 17.658 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.536 22.967 17.365 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.540 24.011 18.455 1.00 49.73 C ATOM 358 CD1 ILE A 23 27.673 23.013 18.605 1.00 49.73 C ATOM 0 H ILE A 23 29.910 20.786 16.181 1.00 49.53 H new ATOM 0 HA ILE A 23 30.456 23.427 15.651 1.00 50.07 H new ATOM 0 HB ILE A 23 30.180 21.920 18.255 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.376 23.878 16.788 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.214 22.134 16.740 1.00 49.82 H new ATOM 0 HG21 ILE A 23 29.969 24.100 19.379 1.00 49.73 H new ATOM 0 HG22 ILE A 23 31.594 23.867 18.692 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.421 24.920 17.866 1.00 49.73 H new ATOM 0 HD11 ILE A 23 26.627 23.118 18.317 1.00 49.73 H new ATOM 0 HD12 ILE A 23 27.802 22.091 19.173 1.00 49.73 H new ATOM 0 HD13 ILE A 23 27.967 23.863 19.221 1.00 49.73 H new ATOM 370 N GLU A 24 32.970 21.831 17.077 1.00 49.53 N ATOM 371 CA GLU A 24 34.450 21.911 17.316 1.00 50.07 C ATOM 372 C GLU A 24 35.087 22.536 16.098 1.00 50.51 C ATOM 373 O GLU A 24 35.802 23.561 16.192 1.00 49.49 O ATOM 374 CB GLU A 24 35.038 20.524 17.582 1.00 49.82 C ATOM 375 CG GLU A 24 36.560 20.479 17.601 1.00 49.72 C ATOM 376 CD GLU A 24 37.063 19.062 17.631 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.705 18.305 16.760 1.00 49.24 O ATOM 378 OE2 GLU A 24 37.894 18.767 18.457 1.00 49.24 O ATOM 0 H GLU A 24 32.546 20.928 17.292 1.00 49.53 H new ATOM 0 HA GLU A 24 34.650 22.519 18.198 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.664 20.162 18.540 1.00 49.82 H new ATOM 0 HB3 GLU A 24 34.676 19.837 16.818 1.00 49.82 H new ATOM 0 HG2 GLU A 24 36.952 20.988 16.721 1.00 49.72 H new ATOM 0 HG3 GLU A 24 36.931 21.018 18.473 1.00 49.72 H new ATOM 385 N ASN A 25 34.884 21.923 14.943 1.00 49.53 N ATOM 386 CA ASN A 25 35.428 22.377 13.658 1.00 50.07 C ATOM 387 C ASN A 25 35.121 23.827 13.282 1.00 50.51 C ATOM 388 O ASN A 25 35.994 24.550 12.758 1.00 49.49 O ATOM 389 CB ASN A 25 34.981 21.463 12.533 1.00 49.82 C ATOM 390 CG ASN A 25 35.733 20.162 12.474 1.00 50.55 C ATOM 391 OD1 ASN A 25 35.143 19.086 12.318 1.00 49.45 O ATOM 392 ND2 ASN A 25 37.023 20.246 12.681 1.00 49.38 N ATOM 0 H ASN A 25 34.324 21.074 14.863 1.00 49.53 H new ATOM 0 HA ASN A 25 36.508 22.332 13.797 1.00 50.07 H new ATOM 0 HB2 ASN A 25 33.918 21.253 12.649 1.00 49.82 H new ATOM 0 HB3 ASN A 25 35.101 21.985 11.584 1.00 49.82 H new ATOM 0 HD21 ASN A 25 37.590 19.399 12.720 1.00 49.38 H new ATOM 0 HD22 ASN A 25 37.461 21.159 12.804 1.00 49.38 H new ATOM 399 N VAL A 26 33.885 24.210 13.566 1.00 49.53 N ATOM 400 CA VAL A 26 33.450 25.576 13.296 1.00 50.07 C ATOM 401 C VAL A 26 34.246 26.562 14.144 1.00 50.51 C ATOM 402 O VAL A 26 34.382 27.740 13.798 1.00 49.49 O ATOM 403 CB VAL A 26 31.947 25.760 13.577 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.588 27.238 13.608 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.116 25.034 12.530 1.00 49.73 C ATOM 0 H VAL A 26 33.173 23.606 13.977 1.00 49.53 H new ATOM 0 HA VAL A 26 33.628 25.771 12.238 1.00 50.07 H new ATOM 0 HB VAL A 26 31.725 25.330 14.553 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.522 27.349 13.808 1.00 49.73 H new ATOM 0 HG12 VAL A 26 32.158 27.735 14.393 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.826 27.690 12.645 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.057 25.175 12.744 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.343 25.436 11.543 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.352 23.970 12.552 1.00 49.73 H new ATOM 415 N LYS A 27 34.803 26.062 15.241 1.00 49.53 N ATOM 416 CA LYS A 27 35.591 26.915 16.142 1.00 50.07 C ATOM 417 C LYS A 27 36.973 26.969 15.513 1.00 50.51 C ATOM 418 O LYS A 27 37.644 28.025 15.612 1.00 49.49 O ATOM 419 CB LYS A 27 35.647 26.334 17.555 1.00 49.82 C ATOM 420 CG LYS A 27 34.261 26.591 18.251 1.00 49.82 C ATOM 421 CD LYS A 27 34.370 26.150 19.698 1.00 49.82 C ATOM 422 CE LYS A 27 33.053 26.395 20.432 1.00 50.21 C ATOM 423 NZ LYS A 27 33.243 25.921 21.842 1.00 49.70 N ATOM 0 H LYS A 27 34.730 25.087 15.531 1.00 49.53 H new ATOM 0 HA LYS A 27 35.151 27.906 16.252 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.861 25.266 17.518 1.00 49.82 H new ATOM 0 HB3 LYS A 27 36.450 26.800 18.125 1.00 49.82 H new ATOM 0 HG2 LYS A 27 33.997 27.647 18.194 1.00 49.82 H new ATOM 0 HG3 LYS A 27 33.472 26.037 17.743 1.00 49.82 H new ATOM 0 HD2 LYS A 27 34.627 25.092 19.744 1.00 49.82 H new ATOM 0 HD3 LYS A 27 35.175 26.695 20.191 1.00 49.82 H new ATOM 0 HE2 LYS A 27 32.792 27.453 20.413 1.00 50.21 H new ATOM 0 HE3 LYS A 27 32.237 25.856 19.951 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 32.424 25.348 22.129 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 34.106 25.344 21.901 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 33.331 26.741 22.475 1.00 49.70 H new ATOM 437 N ALA A 28 37.442 25.871 14.956 1.00 49.53 N ATOM 438 CA ALA A 28 38.736 25.838 14.264 1.00 50.07 C ATOM 439 C ALA A 28 38.670 26.521 12.910 1.00 50.51 C ATOM 440 O ALA A 28 39.703 27.094 12.421 1.00 49.49 O ATOM 441 CB ALA A 28 39.220 24.384 14.108 1.00 49.73 C ATOM 0 H ALA A 28 36.950 24.978 14.964 1.00 49.53 H new ATOM 0 HA ALA A 28 39.451 26.390 14.875 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.181 24.374 13.593 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.331 23.930 15.093 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.491 23.818 13.528 1.00 49.73 H new ATOM 447 N LYS A 29 37.520 26.540 12.253 1.00 49.53 N ATOM 448 CA LYS A 29 37.368 27.263 10.973 1.00 50.07 C ATOM 449 C LYS A 29 37.512 28.779 11.200 1.00 50.51 C ATOM 450 O LYS A 29 38.124 29.534 10.404 1.00 49.49 O ATOM 451 CB LYS A 29 36.016 26.947 10.334 1.00 49.82 C ATOM 452 CG LYS A 29 35.685 27.795 9.112 1.00 49.82 C ATOM 453 CD LYS A 29 36.778 27.697 8.059 1.00 49.82 C ATOM 454 CE LYS A 29 36.394 28.442 6.789 1.00 50.21 C ATOM 455 NZ LYS A 29 37.453 28.352 5.748 1.00 49.70 N ATOM 0 H LYS A 29 36.674 26.069 12.573 1.00 49.53 H new ATOM 0 HA LYS A 29 38.154 26.933 10.293 1.00 50.07 H new ATOM 0 HB2 LYS A 29 36.000 25.896 10.047 1.00 49.82 H new ATOM 0 HB3 LYS A 29 35.234 27.085 11.080 1.00 49.82 H new ATOM 0 HG2 LYS A 29 34.736 27.468 8.686 1.00 49.82 H new ATOM 0 HG3 LYS A 29 35.558 28.835 9.412 1.00 49.82 H new ATOM 0 HD2 LYS A 29 37.706 28.107 8.457 1.00 49.82 H new ATOM 0 HD3 LYS A 29 36.967 26.649 7.825 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.463 28.033 6.396 1.00 50.21 H new ATOM 0 HE3 LYS A 29 36.206 29.489 7.026 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 37.151 28.873 4.900 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 38.335 28.766 6.113 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 37.615 27.354 5.503 1.00 49.70 H new ATOM 469 N ILE A 30 37.000 29.242 12.341 1.00 49.53 N ATOM 470 CA ILE A 30 37.091 30.681 12.647 1.00 50.07 C ATOM 471 C ILE A 30 38.542 31.013 13.019 1.00 50.51 C ATOM 472 O ILE A 30 38.974 32.177 12.850 1.00 49.49 O ATOM 473 CB ILE A 30 36.157 31.082 13.805 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.696 30.835 13.423 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.373 32.539 14.182 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.755 30.790 14.605 1.00 49.73 C ATOM 0 H ILE A 30 36.534 28.673 13.048 1.00 49.53 H new ATOM 0 HA ILE A 30 36.780 31.241 11.765 1.00 50.07 H new ATOM 0 HB ILE A 30 36.395 30.465 14.671 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.371 31.621 12.741 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.627 29.893 12.879 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.705 32.806 15.001 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.407 32.685 14.494 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.162 33.173 13.321 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.739 30.611 14.254 1.00 49.73 H new ATOM 0 HD12 ILE A 30 34.053 29.986 15.277 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.793 31.741 15.137 1.00 49.73 H new ATOM 488 N GLN A 31 39.273 30.080 13.573 1.00 49.53 N ATOM 489 CA GLN A 31 40.692 30.401 13.923 1.00 50.07 C ATOM 490 C GLN A 31 41.467 30.891 12.689 1.00 50.51 C ATOM 491 O GLN A 31 42.418 31.707 12.700 1.00 49.49 O ATOM 492 CB GLN A 31 41.389 29.175 14.519 1.00 49.82 C ATOM 493 CG GLN A 31 42.836 29.414 14.918 1.00 49.82 C ATOM 494 CD GLN A 31 43.564 28.126 15.253 1.00 50.55 C ATOM 495 OE1 GLN A 31 43.012 27.030 15.115 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.809 28.250 15.699 1.00 49.38 N ATOM 0 H GLN A 31 38.962 29.134 13.794 1.00 49.53 H new ATOM 0 HA GLN A 31 40.679 31.199 14.665 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.832 28.845 15.396 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.353 28.362 13.794 1.00 49.82 H new ATOM 0 HG2 GLN A 31 43.355 29.921 14.105 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.867 30.080 15.780 1.00 49.82 H new ATOM 0 HE21 GLN A 31 45.226 29.176 15.797 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.348 27.419 15.943 1.00 49.38 H new ATOM 505 N ASP A 32 41.114 30.295 11.575 1.00 49.53 N ATOM 506 CA ASP A 32 41.750 30.664 10.290 1.00 50.07 C ATOM 507 C ASP A 32 41.590 32.055 9.713 1.00 50.51 C ATOM 508 O ASP A 32 42.395 32.554 8.892 1.00 49.49 O ATOM 509 CB ASP A 32 41.326 29.655 9.220 1.00 49.72 C ATOM 510 CG ASP A 32 42.103 28.346 9.246 1.00 50.62 C ATOM 511 OD1 ASP A 32 43.195 28.337 9.764 1.00 49.24 O ATOM 512 OD2 ASP A 32 41.540 27.337 8.893 1.00 49.24 O ATOM 0 H ASP A 32 40.406 29.564 11.510 1.00 49.53 H new ATOM 0 HA ASP A 32 42.805 30.651 10.565 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.265 29.436 9.344 1.00 49.72 H new ATOM 0 HB3 ASP A 32 41.444 30.114 8.238 1.00 49.72 H new ATOM 517 N LYS A 33 40.471 32.731 10.031 1.00 49.53 N ATOM 518 CA LYS A 33 40.286 34.053 9.375 1.00 50.07 C ATOM 519 C LYS A 33 40.453 35.205 10.302 1.00 50.51 C ATOM 520 O LYS A 33 40.834 36.311 9.784 1.00 49.49 O ATOM 521 CB LYS A 33 38.911 34.123 8.709 1.00 49.82 C ATOM 522 CG LYS A 33 38.579 35.475 8.091 1.00 49.82 C ATOM 523 CD LYS A 33 37.141 35.519 7.596 1.00 49.82 C ATOM 524 CE LYS A 33 36.799 36.879 7.006 1.00 50.21 C ATOM 525 NZ LYS A 33 36.686 37.929 8.055 1.00 49.70 N ATOM 0 H LYS A 33 39.740 32.429 10.674 1.00 49.53 H new ATOM 0 HA LYS A 33 41.074 34.135 8.627 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.857 33.360 7.933 1.00 49.82 H new ATOM 0 HB3 LYS A 33 38.149 33.879 9.449 1.00 49.82 H new ATOM 0 HG2 LYS A 33 38.736 36.262 8.828 1.00 49.82 H new ATOM 0 HG3 LYS A 33 39.258 35.675 7.262 1.00 49.82 H new ATOM 0 HD2 LYS A 33 36.990 34.746 6.843 1.00 49.82 H new ATOM 0 HD3 LYS A 33 36.464 35.298 8.421 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.567 37.166 6.287 1.00 50.21 H new ATOM 0 HE3 LYS A 33 35.859 36.811 6.458 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 36.353 38.815 7.625 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 36.009 37.622 8.782 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 37.617 38.085 8.492 1.00 49.70 H new ATOM 539 N GLU A 34 40.352 35.096 11.598 1.00 49.53 N ATOM 540 CA GLU A 34 40.507 36.181 12.540 1.00 50.07 C ATOM 541 C GLU A 34 41.578 35.873 13.555 1.00 50.51 C ATOM 542 O GLU A 34 42.103 36.796 14.188 1.00 49.49 O ATOM 543 CB GLU A 34 39.181 36.470 13.246 1.00 49.82 C ATOM 544 CG GLU A 34 39.287 37.447 14.409 1.00 49.72 C ATOM 545 CD GLU A 34 37.939 37.730 15.011 1.00 50.62 C ATOM 546 OE1 GLU A 34 36.965 37.232 14.499 1.00 49.24 O ATOM 547 OE2 GLU A 34 37.891 38.350 16.046 1.00 49.24 O ATOM 0 H GLU A 34 40.149 34.206 12.053 1.00 49.53 H new ATOM 0 HA GLU A 34 40.812 37.066 11.982 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.474 36.867 12.517 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.767 35.531 13.613 1.00 49.82 H new ATOM 0 HG2 GLU A 34 39.949 37.037 15.172 1.00 49.72 H new ATOM 0 HG3 GLU A 34 39.736 38.378 14.064 1.00 49.72 H new ATOM 554 N GLY A 35 41.825 34.601 13.823 1.00 49.53 N ATOM 555 CA GLY A 35 42.870 34.180 14.717 1.00 49.98 C ATOM 556 C GLY A 35 42.402 33.982 16.104 1.00 50.51 C ATOM 557 O GLY A 35 43.234 33.775 17.027 1.00 49.49 O ATOM 0 H GLY A 35 41.295 33.830 13.417 1.00 49.53 H new ATOM 0 HA2 GLY A 35 43.301 33.249 14.349 1.00 49.98 H new ATOM 0 HA3 GLY A 35 43.666 34.924 14.711 1.00 49.98 H new ATOM 561 N ILE A 36 41.076 33.964 16.324 1.00 49.53 N ATOM 562 CA ILE A 36 40.588 33.761 17.698 1.00 50.07 C ATOM 563 C ILE A 36 40.744 32.271 17.945 1.00 50.51 C ATOM 564 O ILE A 36 40.230 31.441 17.173 1.00 49.49 O ATOM 565 CB ILE A 36 39.115 34.178 17.867 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.894 35.591 17.321 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.705 34.097 19.329 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.576 36.671 18.129 1.00 49.73 C ATOM 0 H ILE A 36 40.357 34.081 15.610 1.00 49.53 H new ATOM 0 HA ILE A 36 41.147 34.374 18.405 1.00 50.07 H new ATOM 0 HB ILE A 36 38.491 33.489 17.298 1.00 49.91 H new ATOM 0 HG12 ILE A 36 39.257 35.635 16.294 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.824 35.795 17.290 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.661 34.395 19.431 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.827 33.074 19.685 1.00 49.73 H new ATOM 0 HG23 ILE A 36 39.332 34.764 19.920 1.00 49.73 H new ATOM 0 HD11 ILE A 36 39.373 37.644 17.681 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.196 36.656 19.150 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.651 36.493 18.140 1.00 49.73 H new ATOM 580 N PRO A 37 41.428 31.907 19.024 1.00 49.71 N ATOM 581 CA PRO A 37 41.631 30.501 19.413 1.00 50.02 C ATOM 582 C PRO A 37 40.302 29.789 19.584 1.00 50.51 C ATOM 583 O PRO A 37 39.392 30.373 20.230 1.00 49.49 O ATOM 584 CB PRO A 37 42.316 30.685 20.802 1.00 49.82 C ATOM 585 CG PRO A 37 43.082 31.965 20.644 1.00 49.82 C ATOM 586 CD PRO A 37 42.060 32.871 19.972 1.00 50.00 C ATOM 0 HA PRO A 37 42.193 29.911 18.690 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.583 30.752 21.606 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.974 29.849 21.039 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.411 32.364 21.604 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.974 31.833 20.031 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.344 33.286 20.681 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.525 33.713 19.459 1.00 50.00 H new ATOM 594 N PRO A 38 40.166 28.579 19.101 1.00 49.71 N ATOM 595 CA PRO A 38 38.890 27.857 19.231 1.00 50.02 C ATOM 596 C PRO A 38 38.429 27.708 20.656 1.00 50.51 C ATOM 597 O PRO A 38 37.206 27.693 20.966 1.00 49.49 O ATOM 598 CB PRO A 38 39.142 26.544 18.497 1.00 49.82 C ATOM 599 CG PRO A 38 40.192 26.929 17.458 1.00 49.82 C ATOM 600 CD PRO A 38 41.145 27.797 18.306 1.00 50.00 C ATOM 0 HA PRO A 38 38.051 28.399 18.795 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.506 25.768 19.171 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.234 26.161 18.031 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.694 26.058 17.037 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.762 27.484 16.624 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.803 27.197 18.934 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.783 28.433 17.692 1.00 50.00 H new ATOM 608 N ASP A 39 39.341 27.593 21.591 1.00 49.53 N ATOM 609 CA ASP A 39 38.964 27.385 23.015 1.00 50.07 C ATOM 610 C ASP A 39 38.547 28.646 23.760 1.00 50.51 C ATOM 611 O ASP A 39 38.325 28.662 25.003 1.00 49.49 O ATOM 612 CB ASP A 39 40.114 26.710 23.765 1.00 49.72 C ATOM 613 CG ASP A 39 40.205 25.204 23.555 1.00 50.62 C ATOM 614 OD1 ASP A 39 39.368 24.669 22.868 1.00 49.24 O ATOM 615 OD2 ASP A 39 41.191 24.628 23.950 1.00 49.24 O ATOM 0 H ASP A 39 40.346 27.636 21.420 1.00 49.53 H new ATOM 0 HA ASP A 39 38.080 26.748 22.988 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.053 27.166 23.451 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.003 26.910 24.831 1.00 49.72 H new ATOM 620 N GLN A 40 38.326 29.724 23.025 1.00 49.53 N ATOM 621 CA GLN A 40 37.888 30.981 23.677 1.00 50.07 C ATOM 622 C GLN A 40 36.522 31.359 23.075 1.00 50.51 C ATOM 623 O GLN A 40 36.026 32.440 23.365 1.00 49.49 O ATOM 624 CB GLN A 40 38.904 32.104 23.444 1.00 49.82 C ATOM 625 CG GLN A 40 40.218 31.917 24.182 1.00 49.82 C ATOM 626 CD GLN A 40 41.112 33.139 24.088 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.749 34.146 23.475 1.00 49.45 O ATOM 628 NE2 GLN A 40 42.292 33.055 24.693 1.00 49.38 N ATOM 0 H GLN A 40 38.433 29.772 22.012 1.00 49.53 H new ATOM 0 HA GLN A 40 37.810 30.838 24.755 1.00 50.07 H new ATOM 0 HB2 GLN A 40 39.108 32.179 22.376 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.459 33.051 23.751 1.00 49.82 H new ATOM 0 HG2 GLN A 40 40.015 31.698 25.230 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.742 31.054 23.772 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.551 32.202 25.189 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.939 33.843 24.662 1.00 49.38 H new ATOM 637 N GLN A 41 35.929 30.480 22.297 1.00 49.53 N ATOM 638 CA GLN A 41 34.674 30.726 21.630 1.00 50.07 C ATOM 639 C GLN A 41 33.502 30.040 22.302 1.00 50.51 C ATOM 640 O GLN A 41 33.365 28.829 22.383 1.00 49.49 O ATOM 641 CB GLN A 41 34.755 30.270 20.150 1.00 49.82 C ATOM 642 CG GLN A 41 35.952 30.885 19.386 1.00 49.82 C ATOM 643 CD GLN A 41 35.963 30.400 17.963 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.888 30.082 17.428 1.00 49.45 O ATOM 645 NE2 GLN A 41 37.100 30.307 17.308 1.00 49.38 N ATOM 0 H GLN A 41 36.316 29.555 22.108 1.00 49.53 H new ATOM 0 HA GLN A 41 34.500 31.800 21.687 1.00 50.07 H new ATOM 0 HB2 GLN A 41 34.830 29.183 20.115 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.830 30.542 19.642 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.886 31.973 19.407 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.886 30.613 19.878 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.974 30.572 17.763 1.00 49.38 H new ATOM 0 HE22 GLN A 41 37.108 29.969 16.345 1.00 49.38 H new ATOM 654 N ARG A 42 32.500 30.853 22.632 1.00 49.53 N ATOM 655 CA ARG A 42 31.199 30.317 23.143 1.00 50.07 C ATOM 656 C ARG A 42 30.024 30.502 22.210 1.00 50.51 C ATOM 657 O ARG A 42 29.702 31.721 21.914 1.00 49.49 O ATOM 658 CB ARG A 42 30.877 30.861 24.528 1.00 49.82 C ATOM 659 CG ARG A 42 29.466 30.573 25.015 1.00 49.82 C ATOM 660 CD ARG A 42 29.064 31.346 26.218 1.00 50.20 C ATOM 661 NE ARG A 42 29.824 31.034 27.418 1.00 49.30 N ATOM 662 CZ ARG A 42 29.734 31.712 28.578 1.00 50.64 C ATOM 663 NH1 ARG A 42 28.949 32.760 28.691 1.00 49.20 N ATOM 664 NH2 ARG A 42 30.475 31.309 29.596 1.00 49.20 N ATOM 0 H ARG A 42 32.542 31.870 22.564 1.00 49.53 H new ATOM 0 HA ARG A 42 31.353 29.240 23.206 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.585 30.440 25.242 1.00 49.82 H new ATOM 0 HB3 ARG A 42 31.032 31.940 24.524 1.00 49.82 H new ATOM 0 HG2 ARG A 42 28.765 30.788 24.209 1.00 49.82 H new ATOM 0 HG3 ARG A 42 29.381 29.509 25.236 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.169 32.409 26.003 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.008 31.164 26.415 1.00 50.20 H new ATOM 0 HE ARG A 42 30.471 30.246 27.378 1.00 49.30 H new ATOM 0 HH11 ARG A 42 28.396 33.071 27.893 1.00 49.20 H new ATOM 0 HH12 ARG A 42 28.893 33.262 29.577 1.00 49.20 H new ATOM 0 HH21 ARG A 42 31.093 30.505 29.490 1.00 49.20 H new ATOM 0 HH22 ARG A 42 30.429 31.802 30.487 1.00 49.20 H new ATOM 678 N LEU A 43 29.436 29.432 21.678 1.00 49.53 N ATOM 679 CA LEU A 43 28.315 29.574 20.713 1.00 50.07 C ATOM 680 C LEU A 43 26.959 29.393 21.388 1.00 50.51 C ATOM 681 O LEU A 43 26.786 28.419 22.131 1.00 49.49 O ATOM 682 CB LEU A 43 28.475 28.570 19.566 1.00 49.82 C ATOM 683 CG LEU A 43 29.845 28.582 18.874 1.00 49.91 C ATOM 684 CD1 LEU A 43 29.992 27.354 17.986 1.00 49.73 C ATOM 685 CD2 LEU A 43 29.991 29.858 18.059 1.00 49.73 C ATOM 0 H LEU A 43 29.701 28.469 21.885 1.00 49.53 H new ATOM 0 HA LEU A 43 28.350 30.587 20.313 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.290 27.568 19.953 1.00 49.82 H new ATOM 0 HB3 LEU A 43 27.707 28.770 18.819 1.00 49.82 H new ATOM 0 HG LEU A 43 30.633 28.554 19.626 1.00 49.91 H new ATOM 0 HD11 LEU A 43 30.967 27.372 17.499 1.00 49.73 H new ATOM 0 HD12 LEU A 43 29.906 26.453 18.594 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.208 27.357 17.228 1.00 49.73 H new ATOM 0 HD21 LEU A 43 30.964 29.867 17.568 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.204 29.901 17.306 1.00 49.73 H new ATOM 0 HD23 LEU A 43 29.910 30.722 18.718 1.00 49.73 H new ATOM 697 N ILE A 44 26.114 30.413 21.273 1.00 49.53 N ATOM 698 CA ILE A 44 24.797 30.428 21.899 1.00 50.07 C ATOM 699 C ILE A 44 23.693 30.336 20.852 1.00 50.51 C ATOM 700 O ILE A 44 23.520 31.195 20.014 1.00 49.49 O ATOM 701 CB ILE A 44 24.587 31.696 22.746 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.525 31.692 23.955 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.137 31.804 23.192 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.728 33.055 24.576 1.00 49.73 C ATOM 0 H ILE A 44 26.325 31.257 20.740 1.00 49.53 H new ATOM 0 HA ILE A 44 24.748 29.557 22.553 1.00 50.07 H new ATOM 0 HB ILE A 44 24.822 32.566 22.132 1.00 49.91 H new ATOM 0 HG12 ILE A 44 25.126 31.015 24.710 1.00 49.82 H new ATOM 0 HG13 ILE A 44 26.493 31.294 23.650 1.00 49.82 H new ATOM 0 HG21 ILE A 44 23.006 32.706 23.790 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.490 31.852 22.316 1.00 49.73 H new ATOM 0 HG23 ILE A 44 22.874 30.931 23.790 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.405 32.970 25.426 1.00 49.73 H new ATOM 0 HD12 ILE A 44 26.157 33.731 23.837 1.00 49.73 H new ATOM 0 HD13 ILE A 44 24.769 33.448 24.913 1.00 49.73 H new ATOM 716 N PHE A 45 22.906 29.232 20.957 1.00 49.53 N ATOM 717 CA PHE A 45 21.761 29.015 20.060 1.00 50.07 C ATOM 718 C PHE A 45 20.627 28.413 20.910 1.00 50.51 C ATOM 719 O PHE A 45 20.845 27.662 21.861 1.00 49.49 O ATOM 720 CB PHE A 45 22.135 28.078 18.909 1.00 49.82 C ATOM 721 CG PHE A 45 21.031 27.871 17.911 1.00 50.00 C ATOM 722 CD1 PHE A 45 20.551 28.931 17.156 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.468 26.618 17.727 1.00 49.88 C ATOM 724 CE1 PHE A 45 19.535 28.743 16.239 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.454 26.425 16.811 1.00 49.88 C ATOM 726 CZ PHE A 45 18.986 27.490 16.066 1.00 49.88 C ATOM 0 H PHE A 45 23.048 28.494 21.646 1.00 49.53 H new ATOM 0 HA PHE A 45 21.446 29.956 19.609 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.007 28.481 18.394 1.00 49.82 H new ATOM 0 HB3 PHE A 45 22.426 27.111 19.320 1.00 49.82 H new ATOM 0 HD1 PHE A 45 20.977 29.915 17.287 1.00 49.88 H new ATOM 0 HD2 PHE A 45 20.828 25.782 18.308 1.00 49.88 H new ATOM 0 HE1 PHE A 45 19.171 29.577 15.658 1.00 49.88 H new ATOM 0 HE2 PHE A 45 19.027 25.442 16.677 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.192 27.342 15.349 1.00 49.88 H new ATOM 736 N ALA A 46 19.447 28.851 20.545 1.00 49.53 N ATOM 737 CA ALA A 46 18.186 28.390 21.160 1.00 50.07 C ATOM 738 C ALA A 46 18.404 28.394 22.666 1.00 50.51 C ATOM 739 O ALA A 46 17.925 27.515 23.398 1.00 49.49 O ATOM 740 CB ALA A 46 17.816 27.027 20.668 1.00 49.73 C ATOM 0 H ALA A 46 19.313 29.544 19.808 1.00 49.53 H new ATOM 0 HA ALA A 46 17.359 29.048 20.891 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.884 26.712 21.137 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.687 27.053 19.586 1.00 49.73 H new ATOM 0 HB3 ALA A 46 18.607 26.321 20.922 1.00 49.73 H new ATOM 746 N GLY A 47 19.169 29.355 23.094 1.00 49.53 N ATOM 747 CA GLY A 47 19.579 29.636 24.438 1.00 49.98 C ATOM 748 C GLY A 47 20.325 28.497 25.083 1.00 50.51 C ATOM 749 O GLY A 47 20.902 28.677 26.179 1.00 49.49 O ATOM 0 H GLY A 47 19.562 30.032 22.440 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.212 30.523 24.440 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.699 29.871 25.037 1.00 49.98 H new ATOM 753 N LYS A 48 20.389 27.362 24.441 1.00 49.53 N ATOM 754 CA LYS A 48 21.132 26.205 24.955 1.00 50.07 C ATOM 755 C LYS A 48 22.656 26.325 24.769 1.00 50.51 C ATOM 756 O LYS A 48 23.073 26.921 23.788 1.00 49.49 O ATOM 757 CB LYS A 48 20.632 24.921 24.291 1.00 49.82 C ATOM 758 CG LYS A 48 19.144 24.654 24.477 1.00 49.82 C ATOM 759 CD LYS A 48 18.784 24.536 25.951 1.00 49.82 C ATOM 760 CE LYS A 48 17.303 24.239 26.137 1.00 50.21 C ATOM 761 NZ LYS A 48 16.917 24.217 27.574 1.00 49.70 N ATOM 0 H LYS A 48 19.932 27.196 23.544 1.00 49.53 H new ATOM 0 HA LYS A 48 20.946 26.173 26.029 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.849 24.970 23.224 1.00 49.82 H new ATOM 0 HB3 LYS A 48 21.193 24.077 24.692 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.568 25.460 24.023 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.869 23.735 23.959 1.00 49.82 H new ATOM 0 HD2 LYS A 48 19.376 23.744 26.410 1.00 49.82 H new ATOM 0 HD3 LYS A 48 19.038 25.463 26.465 1.00 49.82 H new ATOM 0 HE2 LYS A 48 16.713 24.992 25.614 1.00 50.21 H new ATOM 0 HE3 LYS A 48 17.066 23.277 25.683 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 15.901 24.011 27.657 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 17.461 23.481 28.068 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 17.119 25.143 28.002 1.00 49.70 H new ATOM 775 N GLN A 49 23.425 25.769 25.666 1.00 49.53 N ATOM 776 CA GLN A 49 24.902 25.747 25.477 1.00 50.07 C ATOM 777 C GLN A 49 25.258 24.767 24.363 1.00 50.51 C ATOM 778 O GLN A 49 25.017 23.544 24.539 1.00 49.49 O ATOM 779 CB GLN A 49 25.610 25.347 26.775 1.00 49.82 C ATOM 780 CG GLN A 49 25.463 26.356 27.901 1.00 49.82 C ATOM 781 CD GLN A 49 26.424 26.091 29.045 1.00 50.55 C ATOM 782 OE1 GLN A 49 27.623 26.365 28.942 1.00 49.45 O ATOM 783 NE2 GLN A 49 25.903 25.551 30.140 1.00 49.38 N ATOM 0 H GLN A 49 23.092 25.328 26.523 1.00 49.53 H new ATOM 0 HA GLN A 49 25.236 26.748 25.202 1.00 50.07 H new ATOM 0 HB2 GLN A 49 25.217 24.387 27.109 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.670 25.203 26.568 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.635 27.359 27.511 1.00 49.82 H new ATOM 0 HG3 GLN A 49 24.440 26.331 28.276 1.00 49.82 H new ATOM 0 HE21 GLN A 49 24.906 25.341 30.180 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.500 25.346 30.941 1.00 49.38 H new ATOM 792 N LEU A 50 25.817 25.248 23.279 1.00 49.53 N ATOM 793 CA LEU A 50 26.120 24.407 22.108 1.00 50.07 C ATOM 794 C LEU A 50 27.395 23.714 22.558 1.00 50.51 C ATOM 795 O LEU A 50 28.180 24.355 23.229 1.00 49.49 O ATOM 796 CB LEU A 50 26.338 25.252 20.847 1.00 49.82 C ATOM 797 CG LEU A 50 25.124 26.074 20.394 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.427 26.767 19.072 1.00 49.73 C ATOM 799 CD2 LEU A 50 23.914 25.163 20.260 1.00 49.73 C ATOM 0 H LEU A 50 26.080 26.227 23.167 1.00 49.53 H new ATOM 0 HA LEU A 50 25.320 23.720 21.831 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.171 25.932 21.024 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.633 24.591 20.032 1.00 49.82 H new ATOM 0 HG LEU A 50 24.905 26.840 21.138 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.560 27.348 18.759 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.282 27.431 19.197 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.656 26.019 18.313 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.052 25.748 19.938 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.122 24.388 19.523 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.699 24.700 21.223 1.00 49.73 H new ATOM 811 N GLU A 51 27.586 22.459 22.150 1.00 49.53 N ATOM 812 CA GLU A 51 28.777 21.700 22.588 1.00 50.07 C ATOM 813 C GLU A 51 29.716 21.298 21.483 1.00 50.51 C ATOM 814 O GLU A 51 29.260 21.066 20.365 1.00 49.49 O ATOM 815 CB GLU A 51 28.344 20.453 23.363 1.00 49.82 C ATOM 816 CG GLU A 51 27.297 20.712 24.436 1.00 49.72 C ATOM 817 CD GLU A 51 27.919 21.277 25.682 1.00 50.62 C ATOM 818 OE1 GLU A 51 28.462 22.354 25.617 1.00 49.24 O ATOM 819 OE2 GLU A 51 27.756 20.687 26.724 1.00 49.24 O ATOM 0 H GLU A 51 26.954 21.949 21.533 1.00 49.53 H new ATOM 0 HA GLU A 51 29.338 22.387 23.222 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.951 19.720 22.658 1.00 49.82 H new ATOM 0 HB3 GLU A 51 29.222 20.007 23.830 1.00 49.82 H new ATOM 0 HG2 GLU A 51 26.547 21.405 24.055 1.00 49.72 H new ATOM 0 HG3 GLU A 51 26.780 19.782 24.674 1.00 49.72 H new ATOM 826 N ASP A 52 31.000 21.202 21.725 1.00 49.53 N ATOM 827 CA ASP A 52 32.041 20.910 20.745 1.00 50.07 C ATOM 828 C ASP A 52 31.813 19.642 19.940 1.00 50.51 C ATOM 829 O ASP A 52 32.046 19.667 18.698 1.00 49.49 O ATOM 830 CB ASP A 52 33.404 20.834 21.438 1.00 49.72 C ATOM 831 CG ASP A 52 33.708 22.009 22.357 1.00 50.62 C ATOM 832 OD1 ASP A 52 33.204 22.027 23.454 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.560 22.796 22.019 1.00 49.24 O ATOM 0 H ASP A 52 31.378 21.332 22.663 1.00 49.53 H new ATOM 0 HA ASP A 52 32.009 21.733 20.031 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.452 19.913 22.018 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.182 20.773 20.677 1.00 49.72 H new ATOM 838 N GLY A 53 31.487 18.549 20.594 1.00 49.53 N ATOM 839 CA GLY A 53 31.290 17.230 19.966 1.00 49.98 C ATOM 840 C GLY A 53 29.972 17.105 19.278 1.00 50.51 C ATOM 841 O GLY A 53 29.619 16.021 18.760 1.00 49.49 O ATOM 0 H GLY A 53 31.344 18.536 21.604 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.088 17.054 19.245 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.371 16.455 20.728 1.00 49.98 H new ATOM 845 N ARG A 54 29.172 18.164 19.213 1.00 49.53 N ATOM 846 CA ARG A 54 27.888 18.138 18.483 1.00 50.07 C ATOM 847 C ARG A 54 28.030 18.622 17.048 1.00 50.51 C ATOM 848 O ARG A 54 28.749 19.607 16.778 1.00 49.49 O ATOM 849 CB ARG A 54 26.799 18.906 19.219 1.00 49.82 C ATOM 850 CG ARG A 54 26.280 18.232 20.478 1.00 49.82 C ATOM 851 CD ARG A 54 25.047 18.844 21.037 1.00 50.20 C ATOM 852 NE ARG A 54 24.562 18.216 22.255 1.00 49.30 N ATOM 853 CZ ARG A 54 23.881 17.054 22.298 1.00 50.64 C ATOM 854 NH1 ARG A 54 23.571 16.410 21.195 1.00 49.20 N ATOM 855 NH2 ARG A 54 23.511 16.589 23.479 1.00 49.20 N ATOM 0 H ARG A 54 29.382 19.059 19.655 1.00 49.53 H new ATOM 0 HA ARG A 54 27.581 17.093 18.440 1.00 50.07 H new ATOM 0 HB2 ARG A 54 27.185 19.890 19.484 1.00 49.82 H new ATOM 0 HB3 ARG A 54 25.963 19.064 18.538 1.00 49.82 H new ATOM 0 HG2 ARG A 54 26.083 17.182 20.259 1.00 49.82 H new ATOM 0 HG3 ARG A 54 27.061 18.258 21.238 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.239 19.898 21.238 1.00 50.20 H new ATOM 0 HD3 ARG A 54 24.261 18.801 20.283 1.00 50.20 H new ATOM 0 HE ARG A 54 24.750 18.688 23.139 1.00 49.30 H new ATOM 0 HH11 ARG A 54 23.846 16.789 20.289 1.00 49.20 H new ATOM 0 HH12 ARG A 54 23.055 15.532 21.245 1.00 49.20 H new ATOM 0 HH21 ARG A 54 23.742 17.107 24.326 1.00 49.20 H new ATOM 0 HH22 ARG A 54 22.994 15.712 23.543 1.00 49.20 H new ATOM 869 N THR A 55 27.294 18.015 16.149 1.00 49.53 N ATOM 870 CA THR A 55 27.255 18.392 14.719 1.00 50.07 C ATOM 871 C THR A 55 26.227 19.514 14.443 1.00 50.51 C ATOM 872 O THR A 55 25.298 19.708 15.219 1.00 49.49 O ATOM 873 CB THR A 55 26.923 17.180 13.827 1.00 50.14 C ATOM 874 OG1 THR A 55 25.609 16.700 14.138 1.00 49.34 O ATOM 875 CG2 THR A 55 27.933 16.064 14.049 1.00 49.73 C ATOM 0 H THR A 55 26.686 17.227 16.375 1.00 49.53 H new ATOM 0 HA THR A 55 28.251 18.761 14.475 1.00 50.07 H new ATOM 0 HB THR A 55 26.965 17.492 12.784 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.399 15.930 13.569 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.684 15.216 13.411 1.00 49.73 H new ATOM 0 HG22 THR A 55 28.932 16.423 13.802 1.00 49.73 H new ATOM 0 HG23 THR A 55 27.908 15.753 15.093 1.00 49.73 H new ATOM 883 N LEU A 56 26.381 20.157 13.303 1.00 49.53 N ATOM 884 CA LEU A 56 25.453 21.211 12.860 1.00 50.07 C ATOM 885 C LEU A 56 24.179 20.420 12.574 1.00 50.51 C ATOM 886 O LEU A 56 23.120 20.946 12.782 1.00 49.49 O ATOM 887 CB LEU A 56 25.974 21.931 11.609 1.00 49.82 C ATOM 888 CG LEU A 56 26.951 23.081 11.877 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.921 22.695 12.986 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.703 23.420 10.598 1.00 49.73 C ATOM 0 H LEU A 56 27.144 19.975 12.652 1.00 49.53 H new ATOM 0 HA LEU A 56 25.312 22.007 13.591 1.00 50.07 H new ATOM 0 HB2 LEU A 56 26.466 21.200 10.967 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.122 22.322 11.053 1.00 49.82 H new ATOM 0 HG LEU A 56 26.395 23.961 12.200 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.611 23.519 13.169 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.364 22.479 13.898 1.00 49.73 H new ATOM 0 HD13 LEU A 56 28.483 21.811 12.686 1.00 49.73 H new ATOM 0 HD21 LEU A 56 28.397 24.238 10.790 1.00 49.73 H new ATOM 0 HD22 LEU A 56 28.258 22.545 10.259 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.993 23.720 9.827 1.00 49.73 H new ATOM 902 N SER A 57 24.322 19.125 12.223 1.00 49.53 N ATOM 903 CA SER A 57 23.086 18.358 11.931 1.00 50.07 C ATOM 904 C SER A 57 22.270 18.054 13.169 1.00 50.51 C ATOM 905 O SER A 57 21.004 18.096 13.126 1.00 49.49 O ATOM 906 CB SER A 57 23.437 17.070 11.213 1.00 50.05 C ATOM 907 OG SER A 57 23.799 17.295 9.878 1.00 49.34 O ATOM 0 H SER A 57 25.203 18.618 12.138 1.00 49.53 H new ATOM 0 HA SER A 57 22.466 18.988 11.293 1.00 50.07 H new ATOM 0 HB2 SER A 57 24.258 16.577 11.733 1.00 50.05 H new ATOM 0 HB3 SER A 57 22.585 16.391 11.248 1.00 50.05 H new ATOM 0 HG SER A 57 24.747 17.540 9.833 1.00 49.34 H new ATOM 913 N ASP A 58 22.936 17.794 14.280 1.00 49.53 N ATOM 914 CA ASP A 58 22.234 17.488 15.553 1.00 50.07 C ATOM 915 C ASP A 58 21.140 18.499 15.912 1.00 50.51 C ATOM 916 O ASP A 58 20.153 18.196 16.589 1.00 49.49 O ATOM 917 CB ASP A 58 23.242 17.394 16.702 1.00 49.72 C ATOM 918 CG ASP A 58 24.166 16.186 16.630 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.806 15.224 15.994 1.00 49.24 O ATOM 920 OD2 ASP A 58 25.284 16.291 17.076 1.00 49.24 O ATOM 0 H ASP A 58 23.954 17.784 14.346 1.00 49.53 H new ATOM 0 HA ASP A 58 21.737 16.530 15.401 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.848 18.300 16.713 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.697 17.364 17.646 1.00 49.72 H new ATOM 925 N TYR A 59 21.426 19.740 15.643 1.00 49.53 N ATOM 926 CA TYR A 59 20.523 20.863 15.889 1.00 50.07 C ATOM 927 C TYR A 59 19.641 21.200 14.708 1.00 50.51 C ATOM 928 O TYR A 59 18.696 21.992 14.896 1.00 49.49 O ATOM 929 CB TYR A 59 21.323 22.100 16.301 1.00 49.82 C ATOM 930 CG TYR A 59 22.024 21.961 17.634 1.00 50.00 C ATOM 931 CD1 TYR A 59 21.301 21.780 18.804 1.00 49.88 C ATOM 932 CD2 TYR A 59 23.408 22.011 17.719 1.00 49.88 C ATOM 933 CE1 TYR A 59 21.936 21.653 20.023 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.055 21.883 18.934 1.00 49.88 C ATOM 935 CZ TYR A 59 23.314 21.704 20.085 1.00 50.11 C ATOM 936 OH TYR A 59 23.952 21.578 21.297 1.00 49.46 O ATOM 0 H TYR A 59 22.317 20.023 15.234 1.00 49.53 H new ATOM 0 HA TYR A 59 19.861 20.550 16.697 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.065 22.313 15.532 1.00 49.82 H new ATOM 0 HB3 TYR A 59 20.652 22.958 16.342 1.00 49.82 H new ATOM 0 HD1 TYR A 59 20.223 21.738 18.760 1.00 49.88 H new ATOM 0 HD2 TYR A 59 23.990 22.152 16.820 1.00 49.88 H new ATOM 0 HE1 TYR A 59 21.357 21.514 20.924 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.133 21.923 18.982 1.00 49.88 H new ATOM 0 HH TYR A 59 23.415 21.015 21.892 1.00 49.46 H new ATOM 946 N ASN A 60 19.847 20.669 13.522 1.00 49.53 N ATOM 947 CA ASN A 60 18.959 21.025 12.397 1.00 50.07 C ATOM 948 C ASN A 60 19.232 22.470 11.998 1.00 50.51 C ATOM 949 O ASN A 60 18.306 23.231 11.651 1.00 49.49 O ATOM 950 CB ASN A 60 17.495 20.832 12.751 1.00 49.82 C ATOM 951 CG ASN A 60 17.159 19.438 13.202 1.00 50.55 C ATOM 952 OD1 ASN A 60 17.955 18.506 13.045 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.954 19.276 13.685 1.00 49.38 N ATOM 0 H ASN A 60 20.592 20.009 13.298 1.00 49.53 H new ATOM 0 HA ASN A 60 19.169 20.361 11.558 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.226 21.534 13.540 1.00 49.82 H new ATOM 0 HB3 ASN A 60 16.885 21.080 11.882 1.00 49.82 H new ATOM 0 HD21 ASN A 60 15.633 18.346 13.952 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.336 20.080 13.794 1.00 49.38 H new ATOM 960 N ILE A 61 20.492 22.851 11.966 1.00 49.53 N ATOM 961 CA ILE A 61 20.879 24.217 11.501 1.00 50.07 C ATOM 962 C ILE A 61 20.641 24.263 9.993 1.00 50.51 C ATOM 963 O ILE A 61 21.201 23.341 9.331 1.00 49.49 O ATOM 964 CB ILE A 61 22.353 24.539 11.807 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.596 24.543 13.319 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.742 25.877 11.199 1.00 49.73 C ATOM 967 CD1 ILE A 61 24.027 24.832 13.707 1.00 49.73 C ATOM 0 H ILE A 61 21.275 22.261 12.247 1.00 49.53 H new ATOM 0 HA ILE A 61 20.281 24.961 12.027 1.00 50.07 H new ATOM 0 HB ILE A 61 22.977 23.765 11.360 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.947 25.288 13.780 1.00 49.82 H new ATOM 0 HG13 ILE A 61 22.308 23.574 13.726 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.787 26.089 11.425 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.605 25.839 10.118 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.114 26.663 11.617 1.00 49.73 H new ATOM 0 HD11 ILE A 61 24.120 24.818 14.793 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.681 24.073 13.277 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.315 25.814 13.331 1.00 49.73 H new ATOM 979 N GLN A 62 19.772 25.113 9.523 1.00 49.53 N ATOM 980 CA GLN A 62 19.405 25.204 8.080 1.00 50.07 C ATOM 981 C GLN A 62 20.200 26.323 7.402 1.00 50.51 C ATOM 982 O GLN A 62 21.003 27.000 8.067 1.00 49.49 O ATOM 983 CB GLN A 62 17.904 25.460 7.920 1.00 49.82 C ATOM 984 CG GLN A 62 17.021 24.402 8.560 1.00 49.82 C ATOM 985 CD GLN A 62 15.545 24.729 8.435 1.00 50.55 C ATOM 986 OE1 GLN A 62 14.695 24.065 9.036 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.230 25.752 7.650 1.00 49.38 N ATOM 0 H GLN A 62 19.276 25.782 10.112 1.00 49.53 H new ATOM 0 HA GLN A 62 19.649 24.254 7.604 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.664 26.430 8.355 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.668 25.520 6.858 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.218 23.437 8.093 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.281 24.305 9.614 1.00 49.82 H new ATOM 0 HE21 GLN A 62 15.965 26.273 7.172 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.253 26.017 7.525 1.00 49.38 H new ATOM 996 N LYS A 63 20.018 26.505 6.095 1.00 49.53 N ATOM 997 CA LYS A 63 20.759 27.486 5.333 1.00 50.07 C ATOM 998 C LYS A 63 20.502 28.852 5.963 1.00 50.51 C ATOM 999 O LYS A 63 19.465 29.137 6.542 1.00 49.49 O ATOM 1000 CB LYS A 63 20.333 27.478 3.864 1.00 49.82 C ATOM 1001 CG LYS A 63 20.526 26.140 3.161 1.00 49.82 C ATOM 1002 CD LYS A 63 20.393 26.283 1.653 1.00 49.82 C ATOM 1003 CE LYS A 63 20.533 24.940 0.953 1.00 50.21 C ATOM 1004 NZ LYS A 63 20.422 25.067 -0.525 1.00 49.70 N ATOM 0 H LYS A 63 19.349 25.971 5.541 1.00 49.53 H new ATOM 0 HA LYS A 63 21.823 27.251 5.356 1.00 50.07 H new ATOM 0 HB2 LYS A 63 19.282 27.759 3.801 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.900 28.241 3.330 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.509 25.737 3.405 1.00 49.82 H new ATOM 0 HG3 LYS A 63 19.789 25.425 3.527 1.00 49.82 H new ATOM 0 HD2 LYS A 63 19.425 26.721 1.412 1.00 49.82 H new ATOM 0 HD3 LYS A 63 21.155 26.969 1.283 1.00 49.82 H new ATOM 0 HE2 LYS A 63 21.496 24.497 1.207 1.00 50.21 H new ATOM 0 HE3 LYS A 63 19.763 24.260 1.317 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 20.523 24.129 -0.963 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 19.493 25.465 -0.770 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.172 25.696 -0.877 1.00 49.70 H new ATOM 1018 N GLU A 64 21.562 29.668 5.871 1.00 49.53 N ATOM 1019 CA GLU A 64 21.617 31.020 6.365 1.00 50.07 C ATOM 1020 C GLU A 64 20.933 31.178 7.690 1.00 50.51 C ATOM 1021 O GLU A 64 19.990 31.989 7.864 1.00 49.49 O ATOM 1022 CB GLU A 64 21.001 31.980 5.345 1.00 49.82 C ATOM 1023 CG GLU A 64 21.693 31.987 3.989 1.00 49.72 C ATOM 1024 CD GLU A 64 21.259 33.162 3.160 1.00 50.62 C ATOM 1025 OE1 GLU A 64 21.610 34.267 3.498 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.670 32.949 2.126 1.00 49.24 O ATOM 0 H GLU A 64 22.433 29.376 5.429 1.00 49.53 H new ATOM 0 HA GLU A 64 22.670 31.262 6.513 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.953 31.716 5.203 1.00 49.82 H new ATOM 0 HB3 GLU A 64 21.023 32.990 5.755 1.00 49.82 H new ATOM 0 HG2 GLU A 64 22.773 32.018 4.130 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.467 31.062 3.459 1.00 49.72 H new ATOM 1033 N SER A 65 21.452 30.458 8.673 1.00 49.53 N ATOM 1034 CA SER A 65 21.006 30.549 10.069 1.00 50.07 C ATOM 1035 C SER A 65 22.031 31.487 10.749 1.00 50.51 C ATOM 1036 O SER A 65 23.183 31.550 10.332 1.00 49.49 O ATOM 1037 CB SER A 65 20.979 29.182 10.723 1.00 50.05 C ATOM 1038 OG SER A 65 19.887 28.414 10.295 1.00 49.34 O ATOM 0 H SER A 65 22.204 29.784 8.530 1.00 49.53 H new ATOM 0 HA SER A 65 19.989 30.932 10.154 1.00 50.07 H new ATOM 0 HB2 SER A 65 21.905 28.653 10.495 1.00 50.05 H new ATOM 0 HB3 SER A 65 20.937 29.299 11.806 1.00 50.05 H new ATOM 0 HG SER A 65 20.154 27.864 9.529 1.00 49.34 H new ATOM 1044 N THR A 66 21.605 32.193 11.762 1.00 49.53 N ATOM 1045 CA THR A 66 22.487 33.057 12.554 1.00 50.07 C ATOM 1046 C THR A 66 22.992 32.354 13.813 1.00 50.51 C ATOM 1047 O THR A 66 22.230 31.545 14.386 1.00 49.49 O ATOM 1048 CB THR A 66 21.780 34.362 12.961 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.475 34.062 13.473 1.00 49.34 O ATOM 1050 CG2 THR A 66 21.649 35.293 11.764 1.00 49.73 C ATOM 0 H THR A 66 20.634 32.196 12.075 1.00 49.53 H new ATOM 0 HA THR A 66 23.338 33.291 11.915 1.00 50.07 H new ATOM 0 HB THR A 66 22.375 34.856 13.730 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.027 34.894 13.733 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.147 36.211 12.070 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.640 35.533 11.379 1.00 49.73 H new ATOM 0 HG23 THR A 66 21.066 34.803 10.984 1.00 49.73 H new ATOM 1058 N LEU A 67 24.266 32.556 14.169 1.00 49.53 N ATOM 1059 CA LEU A 67 24.782 31.997 15.425 1.00 50.07 C ATOM 1060 C LEU A 67 25.305 33.221 16.206 1.00 50.51 C ATOM 1061 O LEU A 67 25.930 34.045 15.519 1.00 49.49 O ATOM 1062 CB LEU A 67 25.896 30.977 15.162 1.00 49.82 C ATOM 1063 CG LEU A 67 25.440 29.665 14.511 1.00 49.91 C ATOM 1064 CD1 LEU A 67 26.608 28.691 14.427 1.00 49.73 C ATOM 1065 CD2 LEU A 67 24.297 29.068 15.316 1.00 49.73 C ATOM 0 H LEU A 67 24.943 33.088 13.622 1.00 49.53 H new ATOM 0 HA LEU A 67 24.019 31.453 15.982 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.647 31.440 14.522 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.384 30.744 16.108 1.00 49.82 H new ATOM 0 HG LEU A 67 25.088 29.864 13.499 1.00 49.91 H new ATOM 0 HD11 LEU A 67 26.275 27.762 13.964 1.00 49.73 H new ATOM 0 HD12 LEU A 67 27.405 29.130 13.828 1.00 49.73 H new ATOM 0 HD13 LEU A 67 26.981 28.483 15.430 1.00 49.73 H new ATOM 0 HD21 LEU A 67 23.974 28.136 14.853 1.00 49.73 H new ATOM 0 HD22 LEU A 67 24.633 28.870 16.334 1.00 49.73 H new ATOM 0 HD23 LEU A 67 23.463 29.770 15.340 1.00 49.73 H new ATOM 1077 N HIS A 68 25.040 33.292 17.460 1.00 49.53 N ATOM 1078 CA HIS A 68 25.566 34.430 18.253 1.00 50.07 C ATOM 1079 C HIS A 68 26.922 34.032 18.832 1.00 50.51 C ATOM 1080 O HIS A 68 27.011 33.121 19.681 1.00 49.49 O ATOM 1081 CB HIS A 68 24.597 34.815 19.374 1.00 49.92 C ATOM 1082 CG HIS A 68 23.269 35.301 18.882 1.00 50.22 C ATOM 1083 ND1 HIS A 68 23.078 36.576 18.391 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.066 34.684 18.804 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.815 36.722 18.033 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.180 35.588 18.274 1.00 49.64 N ATOM 0 H HIS A 68 24.482 32.615 17.981 1.00 49.53 H new ATOM 0 HA HIS A 68 25.678 35.300 17.606 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.441 33.951 20.020 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.054 35.592 19.986 1.00 49.92 H new ATOM 0 HD2 HIS A 68 21.845 33.670 19.103 1.00 49.95 H new ATOM 0 HE1 HIS A 68 21.376 37.616 17.615 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.191 35.413 18.095 1.00 49.64 H new ATOM 1094 N LEU A 69 27.967 34.735 18.431 1.00 49.53 N ATOM 1095 CA LEU A 69 29.308 34.506 18.963 1.00 50.07 C ATOM 1096 C LEU A 69 29.547 35.326 20.196 1.00 50.51 C ATOM 1097 O LEU A 69 29.181 36.555 20.173 1.00 49.49 O ATOM 1098 CB LEU A 69 30.363 34.824 17.897 1.00 49.82 C ATOM 1099 CG LEU A 69 31.803 34.452 18.273 1.00 49.91 C ATOM 1100 CD1 LEU A 69 31.882 32.977 18.641 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.731 34.768 17.109 1.00 49.73 C ATOM 0 H LEU A 69 27.916 35.477 17.733 1.00 49.53 H new ATOM 0 HA LEU A 69 29.389 33.454 19.237 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.097 34.301 16.978 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.326 35.891 17.678 1.00 49.82 H new ATOM 0 HG LEU A 69 32.115 35.036 19.138 1.00 49.91 H new ATOM 0 HD11 LEU A 69 32.908 32.723 18.906 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.228 32.778 19.490 1.00 49.73 H new ATOM 0 HD13 LEU A 69 31.567 32.372 17.791 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.754 34.503 17.377 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.425 34.195 16.234 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.679 35.833 16.881 1.00 49.73 H new ATOM 1113 N VAL A 70 30.029 34.761 21.253 1.00 49.53 N ATOM 1114 CA VAL A 70 30.386 35.556 22.464 1.00 50.07 C ATOM 1115 C VAL A 70 31.824 35.123 22.782 1.00 50.51 C ATOM 1116 O VAL A 70 32.156 33.930 22.603 1.00 49.49 O ATOM 1117 CB VAL A 70 29.462 35.258 23.660 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.905 36.044 24.885 1.00 49.73 C ATOM 1119 CG2 VAL A 70 28.017 35.586 23.313 1.00 49.73 C ATOM 0 H VAL A 70 30.198 33.759 21.339 1.00 49.53 H new ATOM 0 HA VAL A 70 30.282 36.626 22.282 1.00 50.07 H new ATOM 0 HB VAL A 70 29.529 34.194 23.889 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.241 35.821 25.720 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.925 35.764 25.148 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.867 37.111 24.666 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.379 35.369 24.170 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.935 36.642 23.058 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.701 34.982 22.463 1.00 49.73 H new ATOM 1129 N LEU A 71 32.656 36.047 23.205 1.00 49.53 N ATOM 1130 CA LEU A 71 34.051 35.710 23.567 1.00 50.07 C ATOM 1131 C LEU A 71 34.234 35.514 25.048 1.00 50.51 C ATOM 1132 O LEU A 71 33.967 36.425 25.857 1.00 49.49 O ATOM 1133 CB LEU A 71 35.003 36.801 23.058 1.00 49.82 C ATOM 1134 CG LEU A 71 35.200 36.837 21.538 1.00 49.91 C ATOM 1135 CD1 LEU A 71 36.257 37.870 21.173 1.00 49.73 C ATOM 1136 CD2 LEU A 71 35.603 35.455 21.044 1.00 49.73 C ATOM 0 H LEU A 71 32.414 37.032 23.313 1.00 49.53 H new ATOM 0 HA LEU A 71 34.287 34.760 23.088 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.626 37.771 23.383 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.975 36.663 23.531 1.00 49.82 H new ATOM 0 HG LEU A 71 34.264 37.122 21.057 1.00 49.91 H new ATOM 0 HD11 LEU A 71 36.390 37.888 20.091 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.938 38.854 21.516 1.00 49.73 H new ATOM 0 HD13 LEU A 71 37.201 37.608 21.650 1.00 49.73 H new ATOM 0 HD21 LEU A 71 35.743 35.481 19.963 1.00 49.73 H new ATOM 0 HD22 LEU A 71 36.535 35.155 21.523 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.820 34.738 21.291 1.00 49.73 H new ATOM 1148 N ARG A 72 34.718 34.395 25.440 1.00 49.53 N ATOM 1149 CA ARG A 72 35.010 34.081 26.855 1.00 50.07 C ATOM 1150 C ARG A 72 36.501 34.133 27.178 1.00 50.51 C ATOM 1151 O ARG A 72 37.079 33.004 27.074 1.00 49.49 O ATOM 1152 CB ARG A 72 34.403 32.750 27.277 1.00 49.82 C ATOM 1153 CG ARG A 72 34.622 32.382 28.735 1.00 49.82 C ATOM 1154 CD ARG A 72 34.176 31.010 29.094 1.00 50.20 C ATOM 1155 NE ARG A 72 34.322 30.679 30.502 1.00 49.30 N ATOM 1156 CZ ARG A 72 35.447 30.193 31.062 1.00 50.64 C ATOM 1157 NH1 ARG A 72 36.513 29.944 30.333 1.00 49.20 N ATOM 1158 NH2 ARG A 72 35.444 29.948 32.360 1.00 49.20 N ATOM 0 H ARG A 72 34.939 33.632 24.800 1.00 49.53 H new ATOM 0 HA ARG A 72 34.534 34.867 27.441 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.331 32.777 27.081 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.821 31.962 26.651 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.683 32.479 28.966 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.092 33.099 29.362 1.00 49.82 H new ATOM 0 HD2 ARG A 72 33.129 30.897 28.814 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.744 30.291 28.504 1.00 50.20 H new ATOM 0 HE ARG A 72 33.515 30.825 31.109 1.00 49.30 H new ATOM 0 HH11 ARG A 72 36.496 30.119 29.328 1.00 49.20 H new ATOM 0 HH12 ARG A 72 37.357 29.576 30.772 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.604 30.127 32.911 1.00 49.20 H new ATOM 0 HH22 ARG A 72 36.281 29.580 32.811 1.00 49.20 H new ATOM 1172 N LEU A 73 37.067 35.244 27.516 1.00 49.53 N ATOM 1173 CA LEU A 73 38.521 35.278 27.812 1.00 50.07 C ATOM 1174 C LEU A 73 38.737 34.610 29.162 1.00 50.51 C ATOM 1175 O LEU A 73 37.779 34.262 29.868 1.00 49.49 O ATOM 1176 CB LEU A 73 39.038 36.721 27.823 1.00 49.82 C ATOM 1177 CG LEU A 73 38.893 37.478 26.496 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.552 38.846 26.601 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.518 36.662 25.375 1.00 49.73 C ATOM 0 H LEU A 73 36.586 36.139 27.602 1.00 49.53 H new ATOM 0 HA LEU A 73 39.077 34.746 27.040 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.507 37.274 28.598 1.00 49.82 H new ATOM 0 HB3 LEU A 73 40.091 36.710 28.103 1.00 49.82 H new ATOM 0 HG LEU A 73 37.836 37.626 26.275 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.444 39.376 25.654 1.00 49.73 H new ATOM 0 HD12 LEU A 73 39.074 39.420 27.395 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.611 38.723 26.829 1.00 49.73 H new ATOM 0 HD21 LEU A 73 39.415 37.200 24.432 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.575 36.501 25.588 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.013 35.699 25.300 1.00 49.73 H new ATOM 1191 N ARG A 74 40.007 34.345 29.428 1.00 49.53 N ATOM 1192 CA ARG A 74 40.427 33.693 30.679 1.00 50.07 C ATOM 1193 C ARG A 74 41.384 34.648 31.388 1.00 50.51 C ATOM 1194 O ARG A 74 42.614 34.554 31.224 1.00 49.49 O ATOM 1195 CB ARG A 74 41.046 32.321 30.450 1.00 49.82 C ATOM 1196 CG ARG A 74 40.095 31.277 29.886 1.00 49.82 C ATOM 1197 CD ARG A 74 40.760 30.039 29.407 1.00 50.20 C ATOM 1198 NE ARG A 74 41.606 30.221 28.239 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.426 29.279 27.733 1.00 50.64 C ATOM 1200 NH1 ARG A 74 42.544 28.103 28.308 1.00 49.20 N ATOM 1201 NH2 ARG A 74 43.128 29.578 26.653 1.00 49.20 N ATOM 0 H ARG A 74 40.776 34.569 28.796 1.00 49.53 H new ATOM 0 HA ARG A 74 39.555 33.498 31.304 1.00 50.07 H new ATOM 0 HB2 ARG A 74 41.890 32.428 29.769 1.00 49.82 H new ATOM 0 HB3 ARG A 74 41.444 31.955 31.396 1.00 49.82 H new ATOM 0 HG2 ARG A 74 39.369 31.011 30.654 1.00 49.82 H new ATOM 0 HG3 ARG A 74 39.538 31.719 29.060 1.00 49.82 H new ATOM 0 HD2 ARG A 74 41.364 29.630 30.217 1.00 50.20 H new ATOM 0 HD3 ARG A 74 39.995 29.298 29.174 1.00 50.20 H new ATOM 0 HE ARG A 74 41.577 31.126 27.769 1.00 49.30 H new ATOM 0 HH11 ARG A 74 42.010 27.892 29.151 1.00 49.20 H new ATOM 0 HH12 ARG A 74 43.169 27.402 27.911 1.00 49.20 H new ATOM 0 HH21 ARG A 74 43.040 30.500 26.227 1.00 49.20 H new ATOM 0 HH22 ARG A 74 43.758 28.886 26.246 1.00 49.20 H new ATOM 1215 N GLY A 75 40.793 35.547 32.165 1.00 49.53 N ATOM 1216 CA GLY A 75 41.529 36.540 32.937 1.00 49.98 C ATOM 1217 C GLY A 75 41.002 37.949 32.749 1.00 50.51 C ATOM 1218 O GLY A 75 41.335 38.657 31.782 1.00 49.49 O ATOM 0 H GLY A 75 39.781 35.608 32.278 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.481 36.278 33.994 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.580 36.510 32.649 1.00 49.98 H new ATOM 1222 N GLY A 76 40.813 38.600 33.881 1.00 49.53 N ATOM 1223 CA GLY A 76 40.326 39.984 33.979 1.00 49.98 C ATOM 1224 C GLY A 76 40.004 40.152 35.473 1.00 50.51 C ATOM 1225 O GLY A 76 38.908 40.680 35.747 1.00 49.49 O ATOM 0 H GLY A 76 40.996 38.177 34.791 1.00 49.53 H new ATOM 0 HA2 GLY A 76 41.080 40.698 33.649 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.444 40.143 33.359 1.00 49.98 H new