USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 826 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 51 HIS : no HE2:sc= 0.641 K(o=1.2,f=-2.2) USER MOD Set 1.2: A 83 SER OG : rot 117:sc= 0.544 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.696 K(o=0.69,f=-0.61) USER MOD Set 2.2: A 37 MET CE :methyl -152:sc=-0.00214 (180deg=-0.895) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.2: A 17 THR OG1 : rot 98:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 2.28 (180deg=1.91) USER MOD Single : A 14 SER OG : rot 179:sc= -0.105 USER MOD Single : A 15 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.89) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -1.41 K(o=-1.4,f=-2.5) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.344 F(o=-1.6,f=-0.34) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -166:sc= 0.182 USER MOD Single : A 48 SER OG : rot -78:sc= 1.99 USER MOD Single : A 49 THR OG1 : rot -42:sc= 0.57 USER MOD Single : A 58 TYR OH : rot -14:sc= 0.669 USER MOD Single : A 59 TYR OH : rot 64:sc= 0.831 USER MOD Single : A 70 ASN : amide:sc= -0.219 K(o=-0.22,f=-5!) USER MOD Single : A 72 MET CE :methyl -174:sc= -0.401 (180deg=-0.449) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -140:sc= 0.0665 USER MOD Single : A 82 THR OG1 : rot 121:sc= 1.22 USER MOD Single : A 88 GLN : amide:sc= 0.639 K(o=0.64,f=-0.24) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 176:sc= -0.114 (180deg=-0.148) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -46:sc= 1.2 USER MOD Single : A 108 ASN : amide:sc= 0.562 K(o=0.56,f=-4.2!) USER MOD Single : A 110 ASN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 111 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 67:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.283 16.200 22.690 1.00 0.00 N ATOM 2 CA GLY A 1 48.573 16.577 21.460 1.00 0.00 C ATOM 3 C GLY A 1 47.186 15.967 21.453 1.00 0.00 C ATOM 4 O GLY A 1 47.049 14.748 21.372 1.00 0.00 O ATOM 0 H1 GLY A 1 50.233 16.623 22.686 1.00 0.00 H new ATOM 0 H2 GLY A 1 48.754 16.545 23.516 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.365 15.164 22.740 1.00 0.00 H new ATOM 0 HA2 GLY A 1 48.502 17.662 21.390 1.00 0.00 H new ATOM 0 HA3 GLY A 1 49.133 16.237 20.589 1.00 0.00 H new ATOM 10 N GLU A 2 46.138 16.785 21.525 1.00 0.00 N ATOM 11 CA GLU A 2 44.740 16.333 21.632 1.00 0.00 C ATOM 12 C GLU A 2 43.820 17.250 20.808 1.00 0.00 C ATOM 13 O GLU A 2 43.922 18.476 20.898 1.00 0.00 O ATOM 14 CB GLU A 2 44.330 16.309 23.120 1.00 0.00 C ATOM 15 CG GLU A 2 43.097 15.454 23.436 1.00 0.00 C ATOM 16 CD GLU A 2 43.499 13.995 23.658 1.00 0.00 C ATOM 17 OE1 GLU A 2 43.991 13.667 24.764 1.00 0.00 O ATOM 18 OE2 GLU A 2 43.372 13.177 22.717 1.00 0.00 O ATOM 0 H GLU A 2 46.231 17.801 21.511 1.00 0.00 H new ATOM 0 HA GLU A 2 44.643 15.325 21.228 1.00 0.00 H new ATOM 0 HB2 GLU A 2 45.171 15.940 23.708 1.00 0.00 H new ATOM 0 HB3 GLU A 2 44.138 17.331 23.446 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.598 15.839 24.325 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.382 15.520 22.616 1.00 0.00 H new ATOM 25 N GLU A 3 42.931 16.671 19.999 1.00 0.00 N ATOM 26 CA GLU A 3 42.022 17.394 19.098 1.00 0.00 C ATOM 27 C GLU A 3 40.587 17.328 19.645 1.00 0.00 C ATOM 28 O GLU A 3 39.974 16.256 19.649 1.00 0.00 O ATOM 29 CB GLU A 3 42.095 16.786 17.683 1.00 0.00 C ATOM 30 CG GLU A 3 43.483 16.767 17.029 1.00 0.00 C ATOM 31 CD GLU A 3 44.075 18.153 16.763 1.00 0.00 C ATOM 32 OE1 GLU A 3 43.530 18.912 15.924 1.00 0.00 O ATOM 33 OE2 GLU A 3 45.144 18.476 17.338 1.00 0.00 O ATOM 0 H GLU A 3 42.818 15.659 19.949 1.00 0.00 H new ATOM 0 HA GLU A 3 42.323 18.440 19.041 1.00 0.00 H new ATOM 0 HB2 GLU A 3 41.723 15.762 17.729 1.00 0.00 H new ATOM 0 HB3 GLU A 3 41.418 17.342 17.035 1.00 0.00 H new ATOM 0 HG2 GLU A 3 44.166 16.210 17.671 1.00 0.00 H new ATOM 0 HG3 GLU A 3 43.419 16.225 16.085 1.00 0.00 H new ATOM 40 N LEU A 4 40.032 18.451 20.110 1.00 0.00 N ATOM 41 CA LEU A 4 38.739 18.520 20.807 1.00 0.00 C ATOM 42 C LEU A 4 37.789 19.571 20.196 1.00 0.00 C ATOM 43 O LEU A 4 38.241 20.604 19.701 1.00 0.00 O ATOM 44 CB LEU A 4 38.986 18.823 22.296 1.00 0.00 C ATOM 45 CG LEU A 4 39.913 17.849 23.049 1.00 0.00 C ATOM 46 CD1 LEU A 4 40.170 18.385 24.453 1.00 0.00 C ATOM 47 CD2 LEU A 4 39.313 16.446 23.189 1.00 0.00 C ATOM 0 H LEU A 4 40.479 19.362 20.011 1.00 0.00 H new ATOM 0 HA LEU A 4 38.246 17.554 20.694 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.407 19.825 22.375 1.00 0.00 H new ATOM 0 HB3 LEU A 4 38.023 18.840 22.805 1.00 0.00 H new ATOM 0 HG LEU A 4 40.831 17.773 22.466 1.00 0.00 H new ATOM 0 HD11 LEU A 4 40.825 17.699 24.990 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.645 19.364 24.387 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.224 18.475 24.987 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.010 15.804 23.727 1.00 0.00 H new ATOM 0 HD22 LEU A 4 38.374 16.505 23.740 1.00 0.00 H new ATOM 0 HD23 LEU A 4 39.127 16.029 22.199 1.00 0.00 H new ATOM 59 N LYS A 5 36.468 19.360 20.292 1.00 0.00 N ATOM 60 CA LYS A 5 35.447 20.362 19.929 1.00 0.00 C ATOM 61 C LYS A 5 34.371 20.571 21.001 1.00 0.00 C ATOM 62 O LYS A 5 34.057 19.659 21.761 1.00 0.00 O ATOM 63 CB LYS A 5 34.852 20.075 18.541 1.00 0.00 C ATOM 64 CG LYS A 5 33.807 18.948 18.490 1.00 0.00 C ATOM 65 CD LYS A 5 33.019 19.066 17.182 1.00 0.00 C ATOM 66 CE LYS A 5 31.801 18.136 17.162 1.00 0.00 C ATOM 67 NZ LYS A 5 32.137 16.795 16.627 1.00 0.00 N ATOM 0 H LYS A 5 36.072 18.482 20.627 1.00 0.00 H new ATOM 0 HA LYS A 5 35.968 21.318 19.874 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.393 20.990 18.165 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.666 19.824 17.861 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.297 17.976 18.549 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.134 19.018 19.344 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.691 20.097 17.048 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.672 18.827 16.342 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.405 18.035 18.173 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.014 18.582 16.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 31.286 16.197 16.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 32.491 16.888 15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 32.870 16.358 17.221 1.00 0.00 H new ATOM 81 N ILE A 6 33.791 21.771 21.014 1.00 0.00 N ATOM 82 CA ILE A 6 32.755 22.254 21.945 1.00 0.00 C ATOM 83 C ILE A 6 31.583 22.850 21.158 1.00 0.00 C ATOM 84 O ILE A 6 31.784 23.689 20.281 1.00 0.00 O ATOM 85 CB ILE A 6 33.350 23.268 22.965 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.289 24.009 23.829 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.239 24.308 22.259 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.836 24.725 25.066 1.00 0.00 C ATOM 0 H ILE A 6 34.045 22.484 20.331 1.00 0.00 H new ATOM 0 HA ILE A 6 32.377 21.412 22.524 1.00 0.00 H new ATOM 0 HB ILE A 6 33.943 22.658 23.646 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.780 24.741 23.201 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.538 23.287 24.150 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.641 25.003 22.996 1.00 0.00 H new ATOM 0 HG22 ILE A 6 35.060 23.801 21.753 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.646 24.857 21.528 1.00 0.00 H new ATOM 0 HD11 ILE A 6 32.017 25.209 25.598 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.317 24.000 25.723 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.564 25.476 24.759 1.00 0.00 H new ATOM 100 N THR A 7 30.359 22.449 21.496 1.00 0.00 N ATOM 101 CA THR A 7 29.117 22.999 20.950 1.00 0.00 C ATOM 102 C THR A 7 28.426 23.884 21.971 1.00 0.00 C ATOM 103 O THR A 7 28.225 23.490 23.117 1.00 0.00 O ATOM 104 CB THR A 7 28.162 21.886 20.491 1.00 0.00 C ATOM 105 OG1 THR A 7 28.777 21.029 19.557 1.00 0.00 O ATOM 106 CG2 THR A 7 26.892 22.442 19.840 1.00 0.00 C ATOM 0 H THR A 7 30.198 21.709 22.179 1.00 0.00 H new ATOM 0 HA THR A 7 29.383 23.600 20.081 1.00 0.00 H new ATOM 0 HB THR A 7 27.900 21.337 21.395 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.144 20.332 19.286 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.249 21.617 19.533 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.360 23.069 20.556 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.161 23.037 18.967 1.00 0.00 H new ATOM 114 N PHE A 8 27.996 25.059 21.528 1.00 0.00 N ATOM 115 CA PHE A 8 27.196 25.994 22.302 1.00 0.00 C ATOM 116 C PHE A 8 25.923 26.439 21.570 1.00 0.00 C ATOM 117 O PHE A 8 25.912 26.619 20.350 1.00 0.00 O ATOM 118 CB PHE A 8 28.028 27.212 22.726 1.00 0.00 C ATOM 119 CG PHE A 8 29.541 27.097 22.873 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.327 26.937 21.713 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.192 27.339 24.111 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.718 26.957 21.787 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.590 27.439 24.166 1.00 0.00 C ATOM 124 CZ PHE A 8 32.344 27.232 23.004 1.00 0.00 C ATOM 0 H PHE A 8 28.203 25.397 20.588 1.00 0.00 H new ATOM 0 HA PHE A 8 26.876 25.457 23.195 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.833 28.003 22.002 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.636 27.553 23.684 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.845 26.797 20.757 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.609 27.446 25.014 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.310 26.760 20.906 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.082 27.674 25.098 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.422 27.286 23.050 1.00 0.00 H new ATOM 134 N ILE A 9 24.861 26.676 22.345 1.00 0.00 N ATOM 135 CA ILE A 9 23.629 27.350 21.905 1.00 0.00 C ATOM 136 C ILE A 9 23.729 28.856 22.195 1.00 0.00 C ATOM 137 O ILE A 9 24.091 29.247 23.300 1.00 0.00 O ATOM 138 CB ILE A 9 22.388 26.755 22.604 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.415 25.209 22.642 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.102 27.337 21.966 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.068 24.510 22.862 1.00 0.00 C ATOM 0 H ILE A 9 24.831 26.397 23.326 1.00 0.00 H new ATOM 0 HA ILE A 9 23.517 27.194 20.832 1.00 0.00 H new ATOM 0 HB ILE A 9 22.399 27.053 23.653 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.836 24.851 21.703 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.095 24.898 23.435 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.227 26.915 22.461 1.00 0.00 H new ATOM 0 HG22 ILE A 9 21.097 28.421 22.081 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.076 27.085 20.906 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.215 23.430 22.869 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.646 24.825 23.816 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.384 24.777 22.057 1.00 0.00 H new ATOM 153 N LEU A 10 23.367 29.719 21.251 1.00 0.00 N ATOM 154 CA LEU A 10 23.517 31.177 21.353 1.00 0.00 C ATOM 155 C LEU A 10 22.341 31.852 22.083 1.00 0.00 C ATOM 156 O LEU A 10 21.239 31.300 22.114 1.00 0.00 O ATOM 157 CB LEU A 10 23.707 31.736 19.928 1.00 0.00 C ATOM 158 CG LEU A 10 24.876 31.138 19.124 1.00 0.00 C ATOM 159 CD1 LEU A 10 25.328 32.154 18.072 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.111 30.821 19.957 1.00 0.00 C ATOM 0 H LEU A 10 22.950 29.422 20.369 1.00 0.00 H new ATOM 0 HA LEU A 10 24.391 31.403 21.964 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.786 31.574 19.369 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.852 32.814 19.997 1.00 0.00 H new ATOM 0 HG LEU A 10 24.494 30.208 18.703 1.00 0.00 H new ATOM 0 HD11 LEU A 10 26.156 31.739 17.497 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.498 32.378 17.402 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.652 33.070 18.566 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.886 30.404 19.314 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.479 31.735 20.424 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.853 30.097 20.730 1.00 0.00 H new ATOM 172 N LYS A 11 22.511 33.083 22.595 1.00 0.00 N ATOM 173 CA LYS A 11 21.368 33.921 23.026 1.00 0.00 C ATOM 174 C LYS A 11 20.426 34.278 21.866 1.00 0.00 C ATOM 175 O LYS A 11 19.229 34.407 22.094 1.00 0.00 O ATOM 176 CB LYS A 11 21.826 35.192 23.775 1.00 0.00 C ATOM 177 CG LYS A 11 21.917 34.974 25.293 1.00 0.00 C ATOM 178 CD LYS A 11 21.953 36.307 26.060 1.00 0.00 C ATOM 179 CE LYS A 11 20.606 37.045 25.980 1.00 0.00 C ATOM 180 NZ LYS A 11 20.393 37.985 27.109 1.00 0.00 N ATOM 0 H LYS A 11 23.423 33.522 22.722 1.00 0.00 H new ATOM 0 HA LYS A 11 20.800 33.310 23.727 1.00 0.00 H new ATOM 0 HB2 LYS A 11 22.799 35.503 23.396 1.00 0.00 H new ATOM 0 HB3 LYS A 11 21.129 36.004 23.568 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.063 34.385 25.628 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.812 34.397 25.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.204 36.120 27.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 22.740 36.941 25.652 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.555 37.596 25.041 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.798 36.314 25.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.610 38.630 26.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.160 37.448 27.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.260 38.537 27.270 1.00 0.00 H new ATOM 194 N ASP A 12 20.934 34.336 20.633 1.00 0.00 N ATOM 195 CA ASP A 12 20.135 34.428 19.388 1.00 0.00 C ATOM 196 C ASP A 12 19.474 33.085 18.967 1.00 0.00 C ATOM 197 O ASP A 12 18.734 33.019 17.981 1.00 0.00 O ATOM 198 CB ASP A 12 21.035 34.991 18.268 1.00 0.00 C ATOM 199 CG ASP A 12 20.272 35.819 17.225 1.00 0.00 C ATOM 200 OD1 ASP A 12 19.824 36.939 17.569 1.00 0.00 O ATOM 201 OD2 ASP A 12 20.199 35.418 16.038 1.00 0.00 O ATOM 0 H ASP A 12 21.939 34.320 20.458 1.00 0.00 H new ATOM 0 HA ASP A 12 19.298 35.101 19.576 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.812 35.612 18.715 1.00 0.00 H new ATOM 0 HB3 ASP A 12 21.537 34.164 17.766 1.00 0.00 H new ATOM 206 N GLY A 13 19.755 31.997 19.698 1.00 0.00 N ATOM 207 CA GLY A 13 19.248 30.631 19.491 1.00 0.00 C ATOM 208 C GLY A 13 19.955 29.801 18.411 1.00 0.00 C ATOM 209 O GLY A 13 19.599 28.633 18.219 1.00 0.00 O ATOM 0 H GLY A 13 20.382 32.050 20.501 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.318 30.093 20.436 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.190 30.693 19.237 1.00 0.00 H new ATOM 213 N SER A 14 20.977 30.351 17.744 1.00 0.00 N ATOM 214 CA SER A 14 21.879 29.604 16.853 1.00 0.00 C ATOM 215 C SER A 14 22.612 28.477 17.595 1.00 0.00 C ATOM 216 O SER A 14 22.714 28.474 18.821 1.00 0.00 O ATOM 217 CB SER A 14 22.930 30.510 16.167 1.00 0.00 C ATOM 218 OG SER A 14 22.523 31.866 16.094 1.00 0.00 O ATOM 0 H SER A 14 21.206 31.343 17.808 1.00 0.00 H new ATOM 0 HA SER A 14 21.233 29.177 16.086 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.870 30.447 16.715 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.122 30.138 15.160 1.00 0.00 H new ATOM 0 HG SER A 14 23.229 32.397 15.669 1.00 0.00 H new ATOM 224 N GLN A 15 23.183 27.545 16.844 1.00 0.00 N ATOM 225 CA GLN A 15 24.125 26.526 17.308 1.00 0.00 C ATOM 226 C GLN A 15 25.470 26.814 16.692 1.00 0.00 C ATOM 227 O GLN A 15 25.553 27.200 15.525 1.00 0.00 O ATOM 228 CB GLN A 15 23.718 25.113 16.863 1.00 0.00 C ATOM 229 CG GLN A 15 22.449 24.533 17.512 1.00 0.00 C ATOM 230 CD GLN A 15 21.236 25.450 17.417 1.00 0.00 C ATOM 231 OE1 GLN A 15 20.776 25.808 16.341 1.00 0.00 O ATOM 232 NE2 GLN A 15 20.735 25.948 18.521 1.00 0.00 N ATOM 0 H GLN A 15 22.995 27.472 15.844 1.00 0.00 H new ATOM 0 HA GLN A 15 24.142 26.561 18.397 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.576 25.122 15.782 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.548 24.437 17.070 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.212 23.581 17.037 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.653 24.323 18.562 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.108 25.660 19.426 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.972 26.624 18.476 1.00 0.00 H new ATOM 241 N LYS A 16 26.521 26.598 17.473 1.00 0.00 N ATOM 242 CA LYS A 16 27.886 26.818 17.049 1.00 0.00 C ATOM 243 C LYS A 16 28.752 25.759 17.684 1.00 0.00 C ATOM 244 O LYS A 16 28.781 25.611 18.899 1.00 0.00 O ATOM 245 CB LYS A 16 28.320 28.200 17.512 1.00 0.00 C ATOM 246 CG LYS A 16 27.622 29.362 16.792 1.00 0.00 C ATOM 247 CD LYS A 16 28.024 29.480 15.319 1.00 0.00 C ATOM 248 CE LYS A 16 27.733 30.898 14.834 1.00 0.00 C ATOM 249 NZ LYS A 16 27.921 30.999 13.373 1.00 0.00 N ATOM 0 H LYS A 16 26.441 26.260 18.432 1.00 0.00 H new ATOM 0 HA LYS A 16 27.976 26.760 15.964 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.131 28.287 18.582 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.396 28.295 17.370 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.542 29.228 16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.859 30.295 17.304 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.083 29.251 15.199 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.472 28.757 14.719 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.711 31.174 15.094 1.00 0.00 H new ATOM 0 HE3 LYS A 16 28.392 31.603 15.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 27.718 31.971 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.903 30.757 13.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.274 30.341 12.893 1.00 0.00 H new ATOM 263 N THR A 17 29.447 25.041 16.832 1.00 0.00 N ATOM 264 CA THR A 17 30.437 24.018 17.216 1.00 0.00 C ATOM 265 C THR A 17 31.857 24.368 16.746 1.00 0.00 C ATOM 266 O THR A 17 32.062 24.711 15.574 1.00 0.00 O ATOM 267 CB THR A 17 29.970 22.600 16.854 1.00 0.00 C ATOM 268 OG1 THR A 17 30.659 21.667 17.649 1.00 0.00 O ATOM 269 CG2 THR A 17 30.152 22.199 15.391 1.00 0.00 C ATOM 0 H THR A 17 29.349 25.143 15.822 1.00 0.00 H new ATOM 0 HA THR A 17 30.506 24.020 18.304 1.00 0.00 H new ATOM 0 HB THR A 17 28.896 22.603 17.038 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.100 21.412 18.413 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.791 21.181 15.245 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.587 22.880 14.754 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.209 22.250 15.129 1.00 0.00 H new ATOM 277 N TYR A 18 32.821 24.351 17.677 1.00 0.00 N ATOM 278 CA TYR A 18 34.124 25.038 17.601 1.00 0.00 C ATOM 279 C TYR A 18 35.309 24.171 18.063 1.00 0.00 C ATOM 280 O TYR A 18 35.161 23.339 18.953 1.00 0.00 O ATOM 281 CB TYR A 18 34.058 26.312 18.467 1.00 0.00 C ATOM 282 CG TYR A 18 33.202 27.474 17.954 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.847 27.585 16.591 1.00 0.00 C ATOM 284 CD2 TYR A 18 32.810 28.504 18.838 1.00 0.00 C ATOM 285 CE1 TYR A 18 32.079 28.664 16.123 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.063 29.601 18.366 1.00 0.00 C ATOM 287 CZ TYR A 18 31.697 29.685 17.008 1.00 0.00 C ATOM 288 OH TYR A 18 31.018 30.764 16.538 1.00 0.00 O ATOM 0 H TYR A 18 32.710 23.833 18.548 1.00 0.00 H new ATOM 0 HA TYR A 18 34.304 25.271 16.551 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.686 26.030 19.452 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.075 26.679 18.603 1.00 0.00 H new ATOM 0 HD1 TYR A 18 33.172 26.826 15.895 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.085 28.450 19.881 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.783 28.708 15.085 1.00 0.00 H new ATOM 0 HE2 TYR A 18 31.769 30.383 19.050 1.00 0.00 H new ATOM 0 HH TYR A 18 30.828 31.378 17.278 1.00 0.00 H new ATOM 298 N GLU A 19 36.493 24.395 17.482 1.00 0.00 N ATOM 299 CA GLU A 19 37.702 23.557 17.614 1.00 0.00 C ATOM 300 C GLU A 19 38.686 24.107 18.668 1.00 0.00 C ATOM 301 O GLU A 19 39.213 25.212 18.513 1.00 0.00 O ATOM 302 CB GLU A 19 38.347 23.453 16.216 1.00 0.00 C ATOM 303 CG GLU A 19 39.597 22.565 16.172 1.00 0.00 C ATOM 304 CD GLU A 19 40.111 22.369 14.739 1.00 0.00 C ATOM 305 OE1 GLU A 19 40.774 23.288 14.195 1.00 0.00 O ATOM 306 OE2 GLU A 19 39.874 21.285 14.152 1.00 0.00 O ATOM 0 H GLU A 19 36.647 25.202 16.878 1.00 0.00 H new ATOM 0 HA GLU A 19 37.428 22.566 17.975 1.00 0.00 H new ATOM 0 HB2 GLU A 19 37.610 23.061 15.515 1.00 0.00 H new ATOM 0 HB3 GLU A 19 38.612 24.453 15.874 1.00 0.00 H new ATOM 0 HG2 GLU A 19 40.382 23.013 16.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 39.368 21.594 16.611 1.00 0.00 H new ATOM 313 N VAL A 20 38.947 23.354 19.742 1.00 0.00 N ATOM 314 CA VAL A 20 39.664 23.799 20.957 1.00 0.00 C ATOM 315 C VAL A 20 40.655 22.760 21.490 1.00 0.00 C ATOM 316 O VAL A 20 40.748 21.640 20.988 1.00 0.00 O ATOM 317 CB VAL A 20 38.650 24.168 22.064 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.682 25.265 21.612 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.846 22.957 22.562 1.00 0.00 C ATOM 0 H VAL A 20 38.656 22.378 19.798 1.00 0.00 H new ATOM 0 HA VAL A 20 40.247 24.674 20.670 1.00 0.00 H new ATOM 0 HB VAL A 20 39.252 24.542 22.892 1.00 0.00 H new ATOM 0 HG11 VAL A 20 36.987 25.493 22.420 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.244 26.162 21.353 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.124 24.922 20.741 1.00 0.00 H new ATOM 0 HG21 VAL A 20 37.150 23.276 23.338 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.289 22.524 21.731 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.528 22.211 22.970 1.00 0.00 H new ATOM 329 N CYS A 21 41.388 23.151 22.530 1.00 0.00 N ATOM 330 CA CYS A 21 42.385 22.344 23.227 1.00 0.00 C ATOM 331 C CYS A 21 42.019 22.054 24.697 1.00 0.00 C ATOM 332 O CYS A 21 41.176 22.726 25.291 1.00 0.00 O ATOM 333 CB CYS A 21 43.700 23.112 23.158 1.00 0.00 C ATOM 334 SG CYS A 21 44.427 22.996 21.496 1.00 0.00 S ATOM 0 H CYS A 21 41.298 24.086 22.929 1.00 0.00 H new ATOM 0 HA CYS A 21 42.450 21.369 22.744 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.530 24.158 23.413 1.00 0.00 H new ATOM 0 HB3 CYS A 21 44.398 22.714 23.894 1.00 0.00 H new ATOM 0 HG CYS A 21 45.544 23.660 21.464 1.00 0.00 H new ATOM 340 N GLU A 22 42.681 21.071 25.314 1.00 0.00 N ATOM 341 CA GLU A 22 42.502 20.719 26.730 1.00 0.00 C ATOM 342 C GLU A 22 43.080 21.758 27.714 1.00 0.00 C ATOM 343 O GLU A 22 44.057 22.454 27.426 1.00 0.00 O ATOM 344 CB GLU A 22 42.948 19.271 27.005 1.00 0.00 C ATOM 345 CG GLU A 22 44.450 19.012 27.035 1.00 0.00 C ATOM 346 CD GLU A 22 44.818 17.516 27.064 1.00 0.00 C ATOM 347 OE1 GLU A 22 44.099 16.716 27.707 1.00 0.00 O ATOM 348 OE2 GLU A 22 45.845 17.116 26.464 1.00 0.00 O ATOM 0 H GLU A 22 43.368 20.487 24.838 1.00 0.00 H new ATOM 0 HA GLU A 22 41.431 20.757 26.930 1.00 0.00 H new ATOM 0 HB2 GLU A 22 42.530 18.962 27.963 1.00 0.00 H new ATOM 0 HB3 GLU A 22 42.507 18.628 26.243 1.00 0.00 H new ATOM 0 HG2 GLU A 22 44.907 19.473 26.159 1.00 0.00 H new ATOM 0 HG3 GLU A 22 44.877 19.500 27.911 1.00 0.00 H new ATOM 355 N GLY A 23 42.453 21.899 28.887 1.00 0.00 N ATOM 356 CA GLY A 23 42.712 22.960 29.867 1.00 0.00 C ATOM 357 C GLY A 23 41.925 24.260 29.622 1.00 0.00 C ATOM 358 O GLY A 23 41.785 25.063 30.548 1.00 0.00 O ATOM 0 H GLY A 23 41.724 21.253 29.191 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.470 22.586 30.862 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.778 23.189 29.863 1.00 0.00 H new ATOM 362 N GLU A 24 41.351 24.465 28.428 1.00 0.00 N ATOM 363 CA GLU A 24 40.423 25.570 28.146 1.00 0.00 C ATOM 364 C GLU A 24 39.113 25.441 28.942 1.00 0.00 C ATOM 365 O GLU A 24 38.636 24.343 29.219 1.00 0.00 O ATOM 366 CB GLU A 24 40.141 25.661 26.638 1.00 0.00 C ATOM 367 CG GLU A 24 41.412 25.942 25.821 1.00 0.00 C ATOM 368 CD GLU A 24 42.004 27.339 26.062 1.00 0.00 C ATOM 369 OE1 GLU A 24 41.288 28.254 26.535 1.00 0.00 O ATOM 370 OE2 GLU A 24 43.226 27.527 25.841 1.00 0.00 O ATOM 0 H GLU A 24 41.520 23.862 27.623 1.00 0.00 H new ATOM 0 HA GLU A 24 40.903 26.493 28.470 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.693 24.728 26.298 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.412 26.450 26.454 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.164 25.191 26.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.184 25.832 24.761 1.00 0.00 H new ATOM 377 N THR A 25 38.523 26.572 29.316 1.00 0.00 N ATOM 378 CA THR A 25 37.380 26.684 30.243 1.00 0.00 C ATOM 379 C THR A 25 36.149 27.164 29.478 1.00 0.00 C ATOM 380 O THR A 25 36.282 27.911 28.515 1.00 0.00 O ATOM 381 CB THR A 25 37.800 27.643 31.360 1.00 0.00 C ATOM 382 OG1 THR A 25 38.937 27.142 32.025 1.00 0.00 O ATOM 383 CG2 THR A 25 36.728 27.853 32.398 1.00 0.00 C ATOM 0 H THR A 25 38.835 27.480 28.972 1.00 0.00 H new ATOM 0 HA THR A 25 37.111 25.725 30.686 1.00 0.00 H new ATOM 0 HB THR A 25 38.002 28.596 30.872 1.00 0.00 H new ATOM 0 HG1 THR A 25 39.200 27.762 32.737 1.00 0.00 H new ATOM 0 HG21 THR A 25 37.090 28.543 33.161 1.00 0.00 H new ATOM 0 HG22 THR A 25 35.839 28.270 31.924 1.00 0.00 H new ATOM 0 HG23 THR A 25 36.478 26.899 32.861 1.00 0.00 H new ATOM 391 N ILE A 26 34.938 26.756 29.865 1.00 0.00 N ATOM 392 CA ILE A 26 33.714 27.081 29.109 1.00 0.00 C ATOM 393 C ILE A 26 33.524 28.605 28.990 1.00 0.00 C ATOM 394 O ILE A 26 33.281 29.084 27.882 1.00 0.00 O ATOM 395 CB ILE A 26 32.489 26.380 29.743 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.478 24.846 29.539 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.201 26.914 29.115 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.375 24.071 30.505 1.00 0.00 C ATOM 0 H ILE A 26 34.773 26.196 30.702 1.00 0.00 H new ATOM 0 HA ILE A 26 33.816 26.701 28.093 1.00 0.00 H new ATOM 0 HB ILE A 26 32.554 26.592 30.810 1.00 0.00 H new ATOM 0 HG12 ILE A 26 31.455 24.486 29.645 1.00 0.00 H new ATOM 0 HG13 ILE A 26 32.790 24.626 28.518 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.343 26.416 29.566 1.00 0.00 H new ATOM 0 HG22 ILE A 26 31.130 27.988 29.288 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.211 26.719 28.043 1.00 0.00 H new ATOM 0 HD11 ILE A 26 33.306 23.005 30.290 1.00 0.00 H new ATOM 0 HD12 ILE A 26 34.408 24.399 30.385 1.00 0.00 H new ATOM 0 HD13 ILE A 26 33.052 24.256 31.529 1.00 0.00 H new ATOM 410 N LEU A 27 33.710 29.367 30.077 1.00 0.00 N ATOM 411 CA LEU A 27 33.679 30.836 30.044 1.00 0.00 C ATOM 412 C LEU A 27 34.758 31.380 29.070 1.00 0.00 C ATOM 413 O LEU A 27 34.471 32.225 28.225 1.00 0.00 O ATOM 414 CB LEU A 27 33.816 31.396 31.477 1.00 0.00 C ATOM 415 CG LEU A 27 33.128 32.748 31.757 1.00 0.00 C ATOM 416 CD1 LEU A 27 33.561 33.877 30.825 1.00 0.00 C ATOM 417 CD2 LEU A 27 31.601 32.651 31.691 1.00 0.00 C ATOM 0 H LEU A 27 33.886 28.982 31.005 1.00 0.00 H new ATOM 0 HA LEU A 27 32.718 31.178 29.659 1.00 0.00 H new ATOM 0 HB2 LEU A 27 33.414 30.658 32.171 1.00 0.00 H new ATOM 0 HB3 LEU A 27 34.877 31.500 31.702 1.00 0.00 H new ATOM 0 HG LEU A 27 33.452 32.991 32.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 33.030 34.791 31.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 34.634 34.039 30.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 33.328 33.608 29.795 1.00 0.00 H new ATOM 0 HD21 LEU A 27 31.165 33.629 31.895 1.00 0.00 H new ATOM 0 HD22 LEU A 27 31.300 32.320 30.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 31.249 31.935 32.434 1.00 0.00 H new ATOM 429 N ASP A 28 35.972 30.822 29.103 1.00 0.00 N ATOM 430 CA ASP A 28 37.099 31.199 28.233 1.00 0.00 C ATOM 431 C ASP A 28 36.925 30.852 26.747 1.00 0.00 C ATOM 432 O ASP A 28 37.532 31.521 25.916 1.00 0.00 O ATOM 433 CB ASP A 28 38.394 30.542 28.728 1.00 0.00 C ATOM 434 CG ASP A 28 38.952 31.262 29.953 1.00 0.00 C ATOM 435 OD1 ASP A 28 38.353 31.190 31.049 1.00 0.00 O ATOM 436 OD2 ASP A 28 39.981 31.962 29.802 1.00 0.00 O ATOM 0 H ASP A 28 36.208 30.073 29.754 1.00 0.00 H new ATOM 0 HA ASP A 28 37.140 32.286 28.298 1.00 0.00 H new ATOM 0 HB2 ASP A 28 38.203 29.498 28.974 1.00 0.00 H new ATOM 0 HB3 ASP A 28 39.136 30.551 27.930 1.00 0.00 H new ATOM 441 N ILE A 29 36.135 29.839 26.376 1.00 0.00 N ATOM 442 CA ILE A 29 35.803 29.578 24.959 1.00 0.00 C ATOM 443 C ILE A 29 34.616 30.439 24.546 1.00 0.00 C ATOM 444 O ILE A 29 34.622 30.989 23.448 1.00 0.00 O ATOM 445 CB ILE A 29 35.616 28.075 24.601 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.702 27.168 25.236 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.778 28.017 23.064 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.260 25.726 25.476 1.00 0.00 C ATOM 0 H ILE A 29 35.711 29.183 27.032 1.00 0.00 H new ATOM 0 HA ILE A 29 36.673 29.867 24.369 1.00 0.00 H new ATOM 0 HB ILE A 29 34.654 27.718 24.969 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.578 27.163 24.588 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.011 27.603 26.186 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.661 26.988 22.724 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.019 28.643 22.594 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.769 28.379 22.789 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.080 25.163 25.922 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.404 25.715 26.151 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.980 25.269 24.527 1.00 0.00 H new ATOM 460 N ALA A 30 33.648 30.661 25.436 1.00 0.00 N ATOM 461 CA ALA A 30 32.534 31.543 25.134 1.00 0.00 C ATOM 462 C ALA A 30 33.010 32.984 24.855 1.00 0.00 C ATOM 463 O ALA A 30 32.702 33.535 23.798 1.00 0.00 O ATOM 464 CB ALA A 30 31.503 31.435 26.263 1.00 0.00 C ATOM 0 H ALA A 30 33.618 30.242 26.365 1.00 0.00 H new ATOM 0 HA ALA A 30 32.047 31.233 24.210 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.660 32.092 26.050 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.151 30.406 26.337 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.964 31.730 27.206 1.00 0.00 H new ATOM 470 N GLN A 31 33.847 33.543 25.737 1.00 0.00 N ATOM 471 CA GLN A 31 34.542 34.816 25.520 1.00 0.00 C ATOM 472 C GLN A 31 35.613 34.727 24.450 1.00 0.00 C ATOM 473 O GLN A 31 35.598 35.567 23.567 1.00 0.00 O ATOM 474 CB GLN A 31 35.138 35.337 26.827 1.00 0.00 C ATOM 475 CG GLN A 31 34.050 36.037 27.647 1.00 0.00 C ATOM 476 CD GLN A 31 33.558 37.356 27.050 1.00 0.00 C ATOM 477 OE1 GLN A 31 34.262 38.064 26.338 1.00 0.00 O ATOM 478 NE2 GLN A 31 32.353 37.751 27.377 1.00 0.00 N ATOM 0 H GLN A 31 34.064 33.115 26.637 1.00 0.00 H new ATOM 0 HA GLN A 31 33.792 35.521 25.161 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.563 34.512 27.398 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.951 36.031 26.616 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.201 35.361 27.753 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.434 36.227 28.649 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.767 37.163 27.969 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.001 38.647 27.040 1.00 0.00 H new ATOM 487 N GLY A 32 36.510 33.743 24.433 1.00 0.00 N ATOM 488 CA GLY A 32 37.569 33.707 23.420 1.00 0.00 C ATOM 489 C GLY A 32 37.045 33.668 21.981 1.00 0.00 C ATOM 490 O GLY A 32 37.563 34.368 21.104 1.00 0.00 O ATOM 0 H GLY A 32 36.528 32.969 25.098 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.206 34.583 23.542 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.195 32.832 23.593 1.00 0.00 H new ATOM 494 N HIS A 33 35.948 32.939 21.750 1.00 0.00 N ATOM 495 CA HIS A 33 35.288 32.855 20.449 1.00 0.00 C ATOM 496 C HIS A 33 34.243 33.947 20.189 1.00 0.00 C ATOM 497 O HIS A 33 33.603 33.969 19.135 1.00 0.00 O ATOM 498 CB HIS A 33 34.704 31.456 20.285 1.00 0.00 C ATOM 499 CG HIS A 33 34.932 30.954 18.879 1.00 0.00 C ATOM 500 ND1 HIS A 33 34.485 31.544 17.718 1.00 0.00 N ATOM 501 CD2 HIS A 33 35.760 29.931 18.510 1.00 0.00 C ATOM 502 CE1 HIS A 33 35.001 30.872 16.676 1.00 0.00 C ATOM 503 NE2 HIS A 33 35.800 29.879 17.109 1.00 0.00 N ATOM 0 H HIS A 33 35.490 32.384 22.473 1.00 0.00 H new ATOM 0 HA HIS A 33 36.047 33.038 19.689 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.166 30.776 21.001 1.00 0.00 H new ATOM 0 HB3 HIS A 33 33.636 31.472 20.504 1.00 0.00 H new ATOM 0 HD1 HIS A 33 33.867 32.354 17.659 1.00 0.00 H new ATOM 0 HD2 HIS A 33 36.293 29.275 19.182 1.00 0.00 H new ATOM 0 HE1 HIS A 33 34.803 31.096 15.638 1.00 0.00 H new ATOM 511 N ASN A 34 34.059 34.840 21.160 1.00 0.00 N ATOM 512 CA ASN A 34 33.089 35.932 21.133 1.00 0.00 C ATOM 513 C ASN A 34 31.683 35.455 20.742 1.00 0.00 C ATOM 514 O ASN A 34 31.019 36.041 19.882 1.00 0.00 O ATOM 515 CB ASN A 34 33.627 37.114 20.304 1.00 0.00 C ATOM 516 CG ASN A 34 34.966 37.648 20.784 1.00 0.00 C ATOM 517 OD1 ASN A 34 35.198 37.672 22.072 1.00 0.00 O flip ATOM 518 ND2 ASN A 34 35.836 38.035 20.016 1.00 0.00 N flip ATOM 0 H ASN A 34 34.604 34.821 22.022 1.00 0.00 H new ATOM 0 HA ASN A 34 32.961 36.313 22.146 1.00 0.00 H new ATOM 0 HB2 ASN A 34 33.724 36.801 19.265 1.00 0.00 H new ATOM 0 HB3 ASN A 34 32.896 37.922 20.326 1.00 0.00 H new ATOM 0 HD21 ASN A 34 35.670 38.022 19.010 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.727 38.370 20.382 1.00 0.00 H new ATOM 525 N LEU A 35 31.227 34.390 21.406 1.00 0.00 N ATOM 526 CA LEU A 35 29.853 33.880 21.255 1.00 0.00 C ATOM 527 C LEU A 35 28.828 34.998 21.525 1.00 0.00 C ATOM 528 O LEU A 35 29.048 35.858 22.383 1.00 0.00 O ATOM 529 CB LEU A 35 29.632 32.713 22.249 1.00 0.00 C ATOM 530 CG LEU A 35 30.237 31.375 21.770 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.092 30.285 22.834 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.550 30.808 20.529 1.00 0.00 C ATOM 0 H LEU A 35 31.795 33.855 22.063 1.00 0.00 H new ATOM 0 HA LEU A 35 29.715 33.526 20.233 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.070 32.977 23.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 28.562 32.582 22.411 1.00 0.00 H new ATOM 0 HG LEU A 35 31.278 31.617 21.555 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.528 29.356 22.465 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.609 30.593 23.743 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.036 30.128 23.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 30.025 29.868 20.248 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.496 30.632 20.745 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.638 31.519 19.708 1.00 0.00 H new ATOM 544 N ASP A 36 27.705 34.997 20.796 1.00 0.00 N ATOM 545 CA ASP A 36 26.552 35.863 21.063 1.00 0.00 C ATOM 546 C ASP A 36 25.823 35.355 22.304 1.00 0.00 C ATOM 547 O ASP A 36 24.889 34.552 22.257 1.00 0.00 O ATOM 548 CB ASP A 36 25.641 35.960 19.822 1.00 0.00 C ATOM 549 CG ASP A 36 26.174 36.827 18.673 1.00 0.00 C ATOM 550 OD1 ASP A 36 27.219 37.500 18.833 1.00 0.00 O ATOM 551 OD2 ASP A 36 25.554 36.834 17.579 1.00 0.00 O ATOM 0 H ASP A 36 27.571 34.384 19.992 1.00 0.00 H new ATOM 0 HA ASP A 36 26.885 36.880 21.268 1.00 0.00 H new ATOM 0 HB2 ASP A 36 25.466 34.953 19.442 1.00 0.00 H new ATOM 0 HB3 ASP A 36 24.674 36.356 20.133 1.00 0.00 H new ATOM 556 N MET A 37 26.420 35.743 23.425 1.00 0.00 N ATOM 557 CA MET A 37 26.204 35.262 24.772 1.00 0.00 C ATOM 558 C MET A 37 26.838 36.321 25.706 1.00 0.00 C ATOM 559 O MET A 37 27.946 36.793 25.441 1.00 0.00 O ATOM 560 CB MET A 37 26.849 33.853 24.838 1.00 0.00 C ATOM 561 CG MET A 37 28.332 33.831 25.200 1.00 0.00 C ATOM 562 SD MET A 37 28.698 33.999 26.972 1.00 0.00 S ATOM 563 CE MET A 37 30.315 34.812 26.863 1.00 0.00 C ATOM 0 H MET A 37 27.134 36.471 23.404 1.00 0.00 H new ATOM 0 HA MET A 37 25.164 35.146 25.076 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.304 33.256 25.570 1.00 0.00 H new ATOM 0 HB3 MET A 37 26.721 33.367 23.871 1.00 0.00 H new ATOM 0 HG2 MET A 37 28.763 32.895 24.843 1.00 0.00 H new ATOM 0 HG3 MET A 37 28.833 34.637 24.664 1.00 0.00 H new ATOM 0 HE1 MET A 37 30.908 34.562 27.743 1.00 0.00 H new ATOM 0 HE2 MET A 37 30.834 34.471 25.967 1.00 0.00 H new ATOM 0 HE3 MET A 37 30.177 35.892 26.814 1.00 0.00 H new ATOM 573 N GLU A 38 26.148 36.758 26.757 1.00 0.00 N ATOM 574 CA GLU A 38 26.654 37.828 27.660 1.00 0.00 C ATOM 575 C GLU A 38 27.174 37.381 29.054 1.00 0.00 C ATOM 576 O GLU A 38 26.416 37.226 30.019 1.00 0.00 O ATOM 577 CB GLU A 38 25.660 39.000 27.730 1.00 0.00 C ATOM 578 CG GLU A 38 24.240 38.654 28.205 1.00 0.00 C ATOM 579 CD GLU A 38 23.326 39.883 28.266 1.00 0.00 C ATOM 580 OE1 GLU A 38 23.794 41.044 28.167 1.00 0.00 O ATOM 581 OE2 GLU A 38 22.097 39.700 28.403 1.00 0.00 O ATOM 0 H GLU A 38 25.231 36.395 27.018 1.00 0.00 H new ATOM 0 HA GLU A 38 27.573 38.173 27.186 1.00 0.00 H new ATOM 0 HB2 GLU A 38 26.070 39.758 28.397 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.590 39.451 26.740 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.805 37.915 27.532 1.00 0.00 H new ATOM 0 HG3 GLU A 38 24.292 38.195 29.192 1.00 0.00 H new ATOM 588 N GLY A 39 28.504 37.263 29.195 1.00 0.00 N ATOM 589 CA GLY A 39 29.201 37.162 30.491 1.00 0.00 C ATOM 590 C GLY A 39 30.735 37.238 30.385 1.00 0.00 C ATOM 591 O GLY A 39 31.317 36.446 29.650 1.00 0.00 O ATOM 0 H GLY A 39 29.139 37.234 28.397 1.00 0.00 H new ATOM 0 HA2 GLY A 39 28.852 37.963 31.143 1.00 0.00 H new ATOM 0 HA3 GLY A 39 28.926 36.221 30.967 1.00 0.00 H new ATOM 595 N ALA A 40 31.400 38.172 31.082 1.00 0.00 N ATOM 596 CA ALA A 40 32.857 38.397 30.988 1.00 0.00 C ATOM 597 C ALA A 40 33.755 37.580 31.956 1.00 0.00 C ATOM 598 O ALA A 40 34.720 36.958 31.505 1.00 0.00 O ATOM 599 CB ALA A 40 33.113 39.906 31.069 1.00 0.00 C ATOM 0 H ALA A 40 30.938 38.803 31.737 1.00 0.00 H new ATOM 0 HA ALA A 40 33.171 37.998 30.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.184 40.097 31.002 1.00 0.00 H new ATOM 0 HB2 ALA A 40 32.602 40.406 30.246 1.00 0.00 H new ATOM 0 HB3 ALA A 40 32.735 40.289 32.017 1.00 0.00 H new ATOM 605 N CYS A 41 33.451 37.559 33.264 1.00 0.00 N ATOM 606 CA CYS A 41 34.260 36.922 34.331 1.00 0.00 C ATOM 607 C CYS A 41 35.727 37.418 34.401 1.00 0.00 C ATOM 608 O CYS A 41 36.030 38.558 34.040 1.00 0.00 O ATOM 609 CB CYS A 41 34.137 35.390 34.222 1.00 0.00 C ATOM 610 SG CYS A 41 34.443 34.368 35.692 1.00 0.00 S ATOM 0 H CYS A 41 32.606 38.000 33.627 1.00 0.00 H new ATOM 0 HA CYS A 41 33.847 37.237 35.289 1.00 0.00 H new ATOM 0 HB2 CYS A 41 33.130 35.166 33.871 1.00 0.00 H new ATOM 0 HB3 CYS A 41 34.826 35.060 33.444 1.00 0.00 H new ATOM 615 N GLY A 42 36.641 36.578 34.908 1.00 0.00 N ATOM 616 CA GLY A 42 38.076 36.886 35.044 1.00 0.00 C ATOM 617 C GLY A 42 38.457 37.635 36.331 1.00 0.00 C ATOM 618 O GLY A 42 39.436 38.385 36.351 1.00 0.00 O ATOM 0 H GLY A 42 36.400 35.645 35.243 1.00 0.00 H new ATOM 0 HA2 GLY A 42 38.639 35.953 35.004 1.00 0.00 H new ATOM 0 HA3 GLY A 42 38.387 37.484 34.187 1.00 0.00 H new ATOM 622 N GLY A 43 37.669 37.490 37.401 1.00 0.00 N ATOM 623 CA GLY A 43 37.828 38.175 38.692 1.00 0.00 C ATOM 624 C GLY A 43 37.328 39.625 38.714 1.00 0.00 C ATOM 625 O GLY A 43 36.787 40.071 39.726 1.00 0.00 O ATOM 0 H GLY A 43 36.865 36.863 37.392 1.00 0.00 H new ATOM 0 HA2 GLY A 43 37.295 37.609 39.456 1.00 0.00 H new ATOM 0 HA3 GLY A 43 38.883 38.165 38.966 1.00 0.00 H new ATOM 629 N SER A 44 37.446 40.346 37.598 1.00 0.00 N ATOM 630 CA SER A 44 36.965 41.724 37.424 1.00 0.00 C ATOM 631 C SER A 44 35.435 41.786 37.442 1.00 0.00 C ATOM 632 O SER A 44 34.784 40.979 36.769 1.00 0.00 O ATOM 633 CB SER A 44 37.481 42.275 36.095 1.00 0.00 C ATOM 634 OG SER A 44 38.890 42.144 36.026 1.00 0.00 O ATOM 0 H SER A 44 37.894 39.977 36.759 1.00 0.00 H new ATOM 0 HA SER A 44 37.340 42.325 38.252 1.00 0.00 H new ATOM 0 HB2 SER A 44 37.018 41.740 35.266 1.00 0.00 H new ATOM 0 HB3 SER A 44 37.200 43.323 35.994 1.00 0.00 H new ATOM 0 HG SER A 44 39.210 42.498 35.170 1.00 0.00 H new ATOM 640 N CYS A 45 34.857 42.730 38.191 1.00 0.00 N ATOM 641 CA CYS A 45 33.425 42.791 38.523 1.00 0.00 C ATOM 642 C CYS A 45 32.883 41.514 39.215 1.00 0.00 C ATOM 643 O CYS A 45 33.614 40.564 39.517 1.00 0.00 O ATOM 644 CB CYS A 45 32.625 43.202 37.271 1.00 0.00 C ATOM 645 SG CYS A 45 32.852 44.963 36.917 1.00 0.00 S ATOM 0 H CYS A 45 35.388 43.500 38.598 1.00 0.00 H new ATOM 0 HA CYS A 45 33.290 43.560 39.283 1.00 0.00 H new ATOM 0 HB2 CYS A 45 32.949 42.609 36.416 1.00 0.00 H new ATOM 0 HB3 CYS A 45 31.567 42.990 37.424 1.00 0.00 H new ATOM 0 HG CYS A 45 31.957 45.352 36.058 1.00 0.00 H new ATOM 651 N ALA A 46 31.575 41.475 39.481 1.00 0.00 N ATOM 652 CA ALA A 46 30.881 40.374 40.165 1.00 0.00 C ATOM 653 C ALA A 46 30.854 39.025 39.402 1.00 0.00 C ATOM 654 O ALA A 46 30.400 38.025 39.961 1.00 0.00 O ATOM 655 CB ALA A 46 29.455 40.854 40.451 1.00 0.00 C ATOM 0 H ALA A 46 30.946 42.234 39.218 1.00 0.00 H new ATOM 0 HA ALA A 46 31.442 40.148 41.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.901 40.065 40.960 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.490 41.740 41.085 1.00 0.00 H new ATOM 0 HB3 ALA A 46 28.958 41.098 39.512 1.00 0.00 H new ATOM 661 N CYS A 47 31.351 38.996 38.160 1.00 0.00 N ATOM 662 CA CYS A 47 31.057 38.019 37.106 1.00 0.00 C ATOM 663 C CYS A 47 29.607 38.069 36.595 1.00 0.00 C ATOM 664 O CYS A 47 28.722 38.758 37.109 1.00 0.00 O ATOM 665 CB CYS A 47 31.508 36.584 37.467 1.00 0.00 C ATOM 666 SG CYS A 47 31.247 35.275 36.236 1.00 0.00 S ATOM 0 H CYS A 47 32.015 39.703 37.844 1.00 0.00 H new ATOM 0 HA CYS A 47 31.671 38.331 36.261 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.572 36.617 37.699 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.991 36.291 38.381 1.00 0.00 H new ATOM 671 N SER A 48 29.427 37.306 35.525 1.00 0.00 N ATOM 672 CA SER A 48 28.182 36.840 34.922 1.00 0.00 C ATOM 673 C SER A 48 27.270 36.088 35.909 1.00 0.00 C ATOM 674 O SER A 48 27.533 36.011 37.112 1.00 0.00 O ATOM 675 CB SER A 48 28.604 35.901 33.785 1.00 0.00 C ATOM 676 OG SER A 48 29.184 34.710 34.297 1.00 0.00 O ATOM 0 H SER A 48 30.233 36.962 35.003 1.00 0.00 H new ATOM 0 HA SER A 48 27.597 37.694 34.580 1.00 0.00 H new ATOM 0 HB2 SER A 48 27.737 35.653 33.172 1.00 0.00 H new ATOM 0 HB3 SER A 48 29.318 36.408 33.136 1.00 0.00 H new ATOM 0 HG SER A 48 30.108 34.887 34.570 1.00 0.00 H new ATOM 682 N THR A 49 26.214 35.439 35.412 1.00 0.00 N ATOM 683 CA THR A 49 25.499 34.421 36.206 1.00 0.00 C ATOM 684 C THR A 49 26.188 33.039 36.251 1.00 0.00 C ATOM 685 O THR A 49 25.612 32.106 36.805 1.00 0.00 O ATOM 686 CB THR A 49 24.010 34.359 35.842 1.00 0.00 C ATOM 687 OG1 THR A 49 23.317 33.687 36.865 1.00 0.00 O ATOM 688 CG2 THR A 49 23.724 33.676 34.509 1.00 0.00 C ATOM 0 H THR A 49 25.835 35.593 34.478 1.00 0.00 H new ATOM 0 HA THR A 49 25.555 34.761 37.240 1.00 0.00 H new ATOM 0 HB THR A 49 23.672 35.390 35.737 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.834 32.905 37.151 1.00 0.00 H new ATOM 0 HG21 THR A 49 22.650 33.673 34.325 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.228 34.216 33.708 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.090 32.650 34.540 1.00 0.00 H new ATOM 696 N CYS A 50 27.377 32.869 35.652 1.00 0.00 N ATOM 697 CA CYS A 50 28.163 31.619 35.583 1.00 0.00 C ATOM 698 C CYS A 50 27.424 30.405 34.970 1.00 0.00 C ATOM 699 O CYS A 50 27.942 29.294 34.971 1.00 0.00 O ATOM 700 CB CYS A 50 28.764 31.334 36.970 1.00 0.00 C ATOM 701 SG CYS A 50 30.002 30.030 37.160 1.00 0.00 S ATOM 0 H CYS A 50 27.845 33.640 35.175 1.00 0.00 H new ATOM 0 HA CYS A 50 28.967 31.780 34.865 1.00 0.00 H new ATOM 0 HB2 CYS A 50 29.211 32.262 37.328 1.00 0.00 H new ATOM 0 HB3 CYS A 50 27.938 31.099 37.641 1.00 0.00 H new ATOM 706 N HIS A 51 26.226 30.587 34.406 1.00 0.00 N ATOM 707 CA HIS A 51 25.307 29.482 34.147 1.00 0.00 C ATOM 708 C HIS A 51 25.473 28.948 32.725 1.00 0.00 C ATOM 709 O HIS A 51 25.177 29.629 31.744 1.00 0.00 O ATOM 710 CB HIS A 51 23.858 29.937 34.397 1.00 0.00 C ATOM 711 CG HIS A 51 22.840 28.824 34.332 1.00 0.00 C ATOM 712 ND1 HIS A 51 22.377 28.185 33.201 1.00 0.00 N ATOM 713 CD2 HIS A 51 22.168 28.288 35.395 1.00 0.00 C ATOM 714 CE1 HIS A 51 21.476 27.266 33.577 1.00 0.00 C ATOM 715 NE2 HIS A 51 21.294 27.304 34.910 1.00 0.00 N ATOM 0 H HIS A 51 25.871 31.499 34.119 1.00 0.00 H new ATOM 0 HA HIS A 51 25.543 28.667 34.832 1.00 0.00 H new ATOM 0 HB2 HIS A 51 23.801 30.409 35.378 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.596 30.698 33.661 1.00 0.00 H new ATOM 0 HD1 HIS A 51 22.670 28.378 32.243 1.00 0.00 H new ATOM 0 HD2 HIS A 51 22.289 28.573 36.430 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.968 26.590 32.905 1.00 0.00 H new ATOM 723 N VAL A 52 25.862 27.681 32.640 1.00 0.00 N ATOM 724 CA VAL A 52 25.643 26.823 31.476 1.00 0.00 C ATOM 725 C VAL A 52 24.709 25.701 31.866 1.00 0.00 C ATOM 726 O VAL A 52 24.593 25.333 33.031 1.00 0.00 O ATOM 727 CB VAL A 52 26.940 26.201 30.911 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.466 27.024 29.756 1.00 0.00 C ATOM 729 CG2 VAL A 52 28.093 26.021 31.903 1.00 0.00 C ATOM 0 H VAL A 52 26.352 27.207 33.399 1.00 0.00 H new ATOM 0 HA VAL A 52 25.222 27.456 30.695 1.00 0.00 H new ATOM 0 HB VAL A 52 26.625 25.202 30.610 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.379 26.570 29.372 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.718 27.060 28.964 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.680 28.036 30.098 1.00 0.00 H new ATOM 0 HG21 VAL A 52 28.947 25.577 31.392 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.378 26.991 32.309 1.00 0.00 H new ATOM 0 HG23 VAL A 52 27.776 25.367 32.715 1.00 0.00 H new ATOM 739 N ILE A 53 24.102 25.072 30.876 1.00 0.00 N ATOM 740 CA ILE A 53 23.590 23.737 31.007 1.00 0.00 C ATOM 741 C ILE A 53 24.275 22.824 29.995 1.00 0.00 C ATOM 742 O ILE A 53 24.441 23.172 28.838 1.00 0.00 O ATOM 743 CB ILE A 53 22.061 23.765 30.974 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.628 22.321 31.243 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.522 24.419 29.689 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.409 21.895 30.503 1.00 0.00 C ATOM 0 H ILE A 53 23.954 25.484 29.955 1.00 0.00 H new ATOM 0 HA ILE A 53 23.832 23.301 31.976 1.00 0.00 H new ATOM 0 HB ILE A 53 21.622 24.407 31.737 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.449 21.654 30.980 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.449 22.201 32.312 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.432 24.417 29.709 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.882 25.446 29.625 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.870 23.858 28.822 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.175 20.860 30.753 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.572 22.534 30.783 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.587 21.978 29.431 1.00 0.00 H new ATOM 758 N VAL A 54 24.648 21.629 30.434 1.00 0.00 N ATOM 759 CA VAL A 54 25.345 20.607 29.666 1.00 0.00 C ATOM 760 C VAL A 54 24.425 19.539 29.102 1.00 0.00 C ATOM 761 O VAL A 54 23.338 19.258 29.614 1.00 0.00 O ATOM 762 CB VAL A 54 26.437 20.032 30.568 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.948 19.021 31.538 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.610 19.349 29.844 1.00 0.00 C ATOM 0 H VAL A 54 24.461 21.330 31.391 1.00 0.00 H new ATOM 0 HA VAL A 54 25.786 21.057 28.777 1.00 0.00 H new ATOM 0 HB VAL A 54 26.779 20.941 31.062 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.782 18.662 32.141 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.199 19.473 32.188 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.503 18.185 30.999 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.325 18.978 30.579 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.235 18.516 29.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.102 20.069 29.190 1.00 0.00 H new ATOM 774 N ASP A 55 24.913 18.900 28.052 1.00 0.00 N ATOM 775 CA ASP A 55 24.445 17.596 27.602 1.00 0.00 C ATOM 776 C ASP A 55 24.465 16.542 28.751 1.00 0.00 C ATOM 777 O ASP A 55 25.492 16.420 29.438 1.00 0.00 O ATOM 778 CB ASP A 55 25.484 17.168 26.563 1.00 0.00 C ATOM 779 CG ASP A 55 25.057 16.011 25.665 1.00 0.00 C ATOM 780 OD1 ASP A 55 24.295 15.144 26.138 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.516 15.962 24.501 1.00 0.00 O ATOM 0 H ASP A 55 25.663 19.281 27.474 1.00 0.00 H new ATOM 0 HA ASP A 55 23.422 17.657 27.231 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.723 18.026 25.935 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.400 16.887 27.082 1.00 0.00 H new ATOM 786 N PRO A 56 23.446 15.671 28.892 1.00 0.00 N ATOM 787 CA PRO A 56 23.482 14.491 29.772 1.00 0.00 C ATOM 788 C PRO A 56 24.636 13.500 29.514 1.00 0.00 C ATOM 789 O PRO A 56 24.909 12.639 30.356 1.00 0.00 O ATOM 790 CB PRO A 56 22.123 13.807 29.575 1.00 0.00 C ATOM 791 CG PRO A 56 21.198 14.957 29.182 1.00 0.00 C ATOM 792 CD PRO A 56 22.108 15.844 28.340 1.00 0.00 C ATOM 0 HA PRO A 56 23.668 14.819 30.795 1.00 0.00 H new ATOM 0 HB2 PRO A 56 22.167 13.044 28.798 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.786 13.314 30.487 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.335 14.607 28.615 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.813 15.484 30.055 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.077 15.553 27.290 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.795 16.887 28.391 1.00 0.00 H new ATOM 800 N ASP A 57 25.326 13.615 28.377 1.00 0.00 N ATOM 801 CA ASP A 57 26.513 12.845 27.993 1.00 0.00 C ATOM 802 C ASP A 57 27.827 13.388 28.570 1.00 0.00 C ATOM 803 O ASP A 57 28.779 12.616 28.710 1.00 0.00 O ATOM 804 CB ASP A 57 26.607 12.807 26.461 1.00 0.00 C ATOM 805 CG ASP A 57 25.756 11.688 25.873 1.00 0.00 C ATOM 806 OD1 ASP A 57 25.981 10.503 26.216 1.00 0.00 O ATOM 807 OD2 ASP A 57 24.828 11.968 25.084 1.00 0.00 O ATOM 0 H ASP A 57 25.056 14.286 27.658 1.00 0.00 H new ATOM 0 HA ASP A 57 26.387 11.847 28.413 1.00 0.00 H new ATOM 0 HB2 ASP A 57 26.283 13.764 26.052 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.646 12.669 26.163 1.00 0.00 H new ATOM 812 N TYR A 58 27.928 14.686 28.888 1.00 0.00 N ATOM 813 CA TYR A 58 29.181 15.287 29.327 1.00 0.00 C ATOM 814 C TYR A 58 29.135 15.930 30.721 1.00 0.00 C ATOM 815 O TYR A 58 30.192 16.224 31.262 1.00 0.00 O ATOM 816 CB TYR A 58 29.561 16.268 28.229 1.00 0.00 C ATOM 817 CG TYR A 58 29.823 15.629 26.876 1.00 0.00 C ATOM 818 CD1 TYR A 58 31.103 15.174 26.513 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.763 15.490 25.970 1.00 0.00 C ATOM 820 CE1 TYR A 58 31.320 14.613 25.234 1.00 0.00 C ATOM 821 CE2 TYR A 58 28.968 14.959 24.687 1.00 0.00 C ATOM 822 CZ TYR A 58 30.252 14.510 24.311 1.00 0.00 C ATOM 823 OH TYR A 58 30.446 13.979 23.074 1.00 0.00 O ATOM 0 H TYR A 58 27.146 15.339 28.847 1.00 0.00 H new ATOM 0 HA TYR A 58 29.939 14.516 29.464 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.762 17.001 28.122 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.453 16.812 28.538 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.922 15.253 27.213 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.770 15.797 26.264 1.00 0.00 H new ATOM 0 HE1 TYR A 58 32.304 14.262 24.960 1.00 0.00 H new ATOM 0 HE2 TYR A 58 28.146 14.894 23.990 1.00 0.00 H new ATOM 0 HH TYR A 58 31.407 13.925 22.888 1.00 0.00 H new ATOM 833 N TYR A 59 27.961 16.078 31.349 1.00 0.00 N ATOM 834 CA TYR A 59 27.855 16.290 32.820 1.00 0.00 C ATOM 835 C TYR A 59 28.199 15.051 33.623 1.00 0.00 C ATOM 836 O TYR A 59 28.513 15.147 34.807 1.00 0.00 O ATOM 837 CB TYR A 59 26.402 16.523 33.249 1.00 0.00 C ATOM 838 CG TYR A 59 26.154 17.557 34.358 1.00 0.00 C ATOM 839 CD1 TYR A 59 26.913 18.743 34.507 1.00 0.00 C ATOM 840 CD2 TYR A 59 25.137 17.300 35.291 1.00 0.00 C ATOM 841 CE1 TYR A 59 26.706 19.594 35.603 1.00 0.00 C ATOM 842 CE2 TYR A 59 24.967 18.110 36.429 1.00 0.00 C ATOM 843 CZ TYR A 59 25.781 19.247 36.604 1.00 0.00 C ATOM 844 OH TYR A 59 25.663 20.013 37.715 1.00 0.00 O ATOM 0 H TYR A 59 27.061 16.056 30.869 1.00 0.00 H new ATOM 0 HA TYR A 59 28.529 17.127 33.004 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.835 16.828 32.370 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.990 15.569 33.578 1.00 0.00 H new ATOM 0 HD1 TYR A 59 27.660 18.995 33.769 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.472 16.464 35.132 1.00 0.00 H new ATOM 0 HE1 TYR A 59 27.259 20.519 35.678 1.00 0.00 H new ATOM 0 HE2 TYR A 59 24.216 17.862 37.165 1.00 0.00 H new ATOM 0 HH TYR A 59 25.347 20.906 37.464 1.00 0.00 H new ATOM 854 N ASP A 60 27.964 13.870 33.052 1.00 0.00 N ATOM 855 CA ASP A 60 27.728 12.684 33.883 1.00 0.00 C ATOM 856 C ASP A 60 28.993 12.251 34.657 1.00 0.00 C ATOM 857 O ASP A 60 28.944 11.523 35.652 1.00 0.00 O ATOM 858 CB ASP A 60 27.235 11.576 32.957 1.00 0.00 C ATOM 859 CG ASP A 60 26.368 10.520 33.649 1.00 0.00 C ATOM 860 OD1 ASP A 60 25.208 10.837 34.013 1.00 0.00 O ATOM 861 OD2 ASP A 60 26.810 9.349 33.738 1.00 0.00 O ATOM 0 H ASP A 60 27.932 13.707 32.046 1.00 0.00 H new ATOM 0 HA ASP A 60 26.983 12.909 34.646 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.663 12.024 32.145 1.00 0.00 H new ATOM 0 HB3 ASP A 60 28.097 11.084 32.506 1.00 0.00 H new ATOM 866 N ALA A 61 30.124 12.784 34.192 1.00 0.00 N ATOM 867 CA ALA A 61 31.491 12.571 34.664 1.00 0.00 C ATOM 868 C ALA A 61 31.993 13.700 35.592 1.00 0.00 C ATOM 869 O ALA A 61 33.140 13.678 36.047 1.00 0.00 O ATOM 870 CB ALA A 61 32.360 12.435 33.403 1.00 0.00 C ATOM 0 H ALA A 61 30.103 13.433 33.406 1.00 0.00 H new ATOM 0 HA ALA A 61 31.542 11.674 35.282 1.00 0.00 H new ATOM 0 HB1 ALA A 61 33.398 12.273 33.692 1.00 0.00 H new ATOM 0 HB2 ALA A 61 32.012 11.588 32.811 1.00 0.00 H new ATOM 0 HB3 ALA A 61 32.286 13.347 32.810 1.00 0.00 H new ATOM 876 N LEU A 62 31.171 14.728 35.828 1.00 0.00 N ATOM 877 CA LEU A 62 31.631 16.029 36.349 1.00 0.00 C ATOM 878 C LEU A 62 31.579 16.160 37.901 1.00 0.00 C ATOM 879 O LEU A 62 30.652 15.634 38.528 1.00 0.00 O ATOM 880 CB LEU A 62 30.852 17.139 35.625 1.00 0.00 C ATOM 881 CG LEU A 62 31.106 17.222 34.112 1.00 0.00 C ATOM 882 CD1 LEU A 62 30.720 18.623 33.634 1.00 0.00 C ATOM 883 CD2 LEU A 62 32.535 16.944 33.653 1.00 0.00 C ATOM 0 H LEU A 62 30.165 14.686 35.664 1.00 0.00 H new ATOM 0 HA LEU A 62 32.695 16.124 36.134 1.00 0.00 H new ATOM 0 HB2 LEU A 62 29.786 16.984 35.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 31.109 18.098 36.076 1.00 0.00 H new ATOM 0 HG LEU A 62 30.500 16.427 33.677 1.00 0.00 H new ATOM 0 HD11 LEU A 62 30.893 18.702 32.561 1.00 0.00 H new ATOM 0 HD12 LEU A 62 29.666 18.802 33.845 1.00 0.00 H new ATOM 0 HD13 LEU A 62 31.325 19.365 34.155 1.00 0.00 H new ATOM 0 HD21 LEU A 62 32.592 17.032 32.568 1.00 0.00 H new ATOM 0 HD22 LEU A 62 33.211 17.666 34.111 1.00 0.00 H new ATOM 0 HD23 LEU A 62 32.823 15.936 33.951 1.00 0.00 H new ATOM 895 N PRO A 63 32.538 16.872 38.535 1.00 0.00 N ATOM 896 CA PRO A 63 32.601 17.168 39.986 1.00 0.00 C ATOM 897 C PRO A 63 31.631 18.283 40.432 1.00 0.00 C ATOM 898 O PRO A 63 31.020 18.935 39.592 1.00 0.00 O ATOM 899 CB PRO A 63 34.060 17.577 40.225 1.00 0.00 C ATOM 900 CG PRO A 63 34.442 18.258 38.914 1.00 0.00 C ATOM 901 CD PRO A 63 33.727 17.404 37.879 1.00 0.00 C ATOM 0 HA PRO A 63 32.293 16.302 40.572 1.00 0.00 H new ATOM 0 HB2 PRO A 63 34.156 18.253 41.074 1.00 0.00 H new ATOM 0 HB3 PRO A 63 34.693 16.714 40.431 1.00 0.00 H new ATOM 0 HG2 PRO A 63 34.109 19.296 38.884 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.521 18.264 38.759 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.456 17.998 37.006 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.371 16.597 37.529 1.00 0.00 H new ATOM 909 N GLU A 64 31.474 18.547 41.737 1.00 0.00 N ATOM 910 CA GLU A 64 30.616 19.635 42.277 1.00 0.00 C ATOM 911 C GLU A 64 31.404 20.818 42.910 1.00 0.00 C ATOM 912 O GLU A 64 32.572 20.634 43.280 1.00 0.00 O ATOM 913 CB GLU A 64 29.594 19.062 43.269 1.00 0.00 C ATOM 914 CG GLU A 64 28.451 18.321 42.563 1.00 0.00 C ATOM 915 CD GLU A 64 27.401 17.827 43.566 1.00 0.00 C ATOM 916 OE1 GLU A 64 26.859 18.652 44.344 1.00 0.00 O ATOM 917 OE2 GLU A 64 27.119 16.605 43.595 1.00 0.00 O ATOM 0 H GLU A 64 31.942 18.008 42.466 1.00 0.00 H new ATOM 0 HA GLU A 64 30.097 20.063 41.420 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.098 18.380 43.954 1.00 0.00 H new ATOM 0 HB3 GLU A 64 29.182 19.872 43.871 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.980 18.983 41.837 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.853 17.474 42.008 1.00 0.00 H new ATOM 924 N PRO A 65 30.842 22.047 43.007 1.00 0.00 N ATOM 925 CA PRO A 65 31.597 23.278 43.307 1.00 0.00 C ATOM 926 C PRO A 65 31.551 23.753 44.770 1.00 0.00 C ATOM 927 O PRO A 65 30.819 23.199 45.596 1.00 0.00 O ATOM 928 CB PRO A 65 31.022 24.349 42.372 1.00 0.00 C ATOM 929 CG PRO A 65 30.086 23.592 41.429 1.00 0.00 C ATOM 930 CD PRO A 65 29.617 22.500 42.358 1.00 0.00 C ATOM 0 HA PRO A 65 32.657 23.079 43.148 1.00 0.00 H new ATOM 0 HB2 PRO A 65 30.484 25.114 42.932 1.00 0.00 H new ATOM 0 HB3 PRO A 65 31.813 24.856 41.819 1.00 0.00 H new ATOM 0 HG2 PRO A 65 29.267 24.213 41.066 1.00 0.00 H new ATOM 0 HG3 PRO A 65 30.602 23.202 40.552 1.00 0.00 H new ATOM 0 HD2 PRO A 65 28.895 22.874 43.083 1.00 0.00 H new ATOM 0 HD3 PRO A 65 29.131 21.692 41.812 1.00 0.00 H new ATOM 938 N GLU A 66 32.335 24.793 45.075 1.00 0.00 N ATOM 939 CA GLU A 66 32.267 25.590 46.314 1.00 0.00 C ATOM 940 C GLU A 66 30.938 26.353 46.466 1.00 0.00 C ATOM 941 O GLU A 66 30.260 26.639 45.477 1.00 0.00 O ATOM 942 CB GLU A 66 33.446 26.583 46.357 1.00 0.00 C ATOM 943 CG GLU A 66 34.748 25.855 46.701 1.00 0.00 C ATOM 944 CD GLU A 66 35.948 26.794 46.855 1.00 0.00 C ATOM 945 OE1 GLU A 66 36.210 27.610 45.937 1.00 0.00 O ATOM 946 OE2 GLU A 66 36.686 26.684 47.870 1.00 0.00 O ATOM 0 H GLU A 66 33.065 25.119 44.442 1.00 0.00 H new ATOM 0 HA GLU A 66 32.328 24.890 47.148 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.545 27.081 45.393 1.00 0.00 H new ATOM 0 HB3 GLU A 66 33.249 27.358 47.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 34.610 25.299 47.628 1.00 0.00 H new ATOM 0 HG3 GLU A 66 34.965 25.126 45.921 1.00 0.00 H new ATOM 953 N ASP A 67 30.597 26.761 47.696 1.00 0.00 N ATOM 954 CA ASP A 67 29.380 27.547 47.988 1.00 0.00 C ATOM 955 C ASP A 67 29.353 28.901 47.253 1.00 0.00 C ATOM 956 O ASP A 67 28.290 29.437 46.954 1.00 0.00 O ATOM 957 CB ASP A 67 29.271 27.779 49.506 1.00 0.00 C ATOM 958 CG ASP A 67 27.971 28.496 49.906 1.00 0.00 C ATOM 959 OD1 ASP A 67 26.893 27.853 49.853 1.00 0.00 O ATOM 960 OD2 ASP A 67 28.021 29.690 50.298 1.00 0.00 O ATOM 0 H ASP A 67 31.157 26.557 48.524 1.00 0.00 H new ATOM 0 HA ASP A 67 28.528 26.970 47.627 1.00 0.00 H new ATOM 0 HB2 ASP A 67 29.325 26.820 50.021 1.00 0.00 H new ATOM 0 HB3 ASP A 67 30.124 28.369 49.841 1.00 0.00 H new ATOM 965 N ASP A 68 30.519 29.466 46.940 1.00 0.00 N ATOM 966 CA ASP A 68 30.654 30.723 46.202 1.00 0.00 C ATOM 967 C ASP A 68 30.497 30.513 44.692 1.00 0.00 C ATOM 968 O ASP A 68 30.120 31.447 43.985 1.00 0.00 O ATOM 969 CB ASP A 68 32.019 31.326 46.554 1.00 0.00 C ATOM 970 CG ASP A 68 32.095 32.819 46.248 1.00 0.00 C ATOM 971 OD1 ASP A 68 31.726 33.610 47.152 1.00 0.00 O ATOM 972 OD2 ASP A 68 32.570 33.192 45.148 1.00 0.00 O ATOM 0 H ASP A 68 31.416 29.054 47.198 1.00 0.00 H new ATOM 0 HA ASP A 68 29.859 31.411 46.489 1.00 0.00 H new ATOM 0 HB2 ASP A 68 32.222 31.165 47.613 1.00 0.00 H new ATOM 0 HB3 ASP A 68 32.797 30.804 45.997 1.00 0.00 H new ATOM 977 N GLU A 69 30.746 29.285 44.217 1.00 0.00 N ATOM 978 CA GLU A 69 30.655 28.890 42.811 1.00 0.00 C ATOM 979 C GLU A 69 29.217 28.439 42.438 1.00 0.00 C ATOM 980 O GLU A 69 28.614 28.984 41.511 1.00 0.00 O ATOM 981 CB GLU A 69 31.679 27.763 42.554 1.00 0.00 C ATOM 982 CG GLU A 69 33.148 28.212 42.628 1.00 0.00 C ATOM 983 CD GLU A 69 34.168 27.070 42.466 1.00 0.00 C ATOM 984 OE1 GLU A 69 33.964 25.942 42.972 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.252 27.329 41.888 1.00 0.00 O ATOM 0 H GLU A 69 31.026 28.515 44.825 1.00 0.00 H new ATOM 0 HA GLU A 69 30.885 29.747 42.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 31.517 26.968 43.282 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.491 27.336 41.569 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.328 28.957 41.853 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.318 28.702 43.587 1.00 0.00 H new ATOM 992 N ASN A 70 28.624 27.483 43.169 1.00 0.00 N ATOM 993 CA ASN A 70 27.264 26.943 42.937 1.00 0.00 C ATOM 994 C ASN A 70 26.110 27.923 43.227 1.00 0.00 C ATOM 995 O ASN A 70 25.000 27.747 42.717 1.00 0.00 O ATOM 996 CB ASN A 70 27.141 25.598 43.687 1.00 0.00 C ATOM 997 CG ASN A 70 27.216 25.688 45.208 1.00 0.00 C ATOM 998 OD1 ASN A 70 26.829 26.669 45.818 1.00 0.00 O ATOM 999 ND2 ASN A 70 27.681 24.660 45.880 1.00 0.00 N ATOM 0 H ASN A 70 29.088 27.046 43.965 1.00 0.00 H new ATOM 0 HA ASN A 70 27.148 26.776 41.866 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.193 25.134 43.414 1.00 0.00 H new ATOM 0 HB3 ASN A 70 27.933 24.934 43.340 1.00 0.00 H new ATOM 0 HD21 ASN A 70 27.715 24.690 46.899 1.00 0.00 H new ATOM 0 HD22 ASN A 70 28.009 23.832 45.383 1.00 0.00 H new ATOM 1006 N ASP A 71 26.369 28.981 43.987 1.00 0.00 N ATOM 1007 CA ASP A 71 25.431 30.080 44.241 1.00 0.00 C ATOM 1008 C ASP A 71 25.473 31.146 43.143 1.00 0.00 C ATOM 1009 O ASP A 71 24.614 32.016 43.115 1.00 0.00 O ATOM 1010 CB ASP A 71 25.673 30.687 45.625 1.00 0.00 C ATOM 1011 CG ASP A 71 24.455 31.434 46.165 1.00 0.00 C ATOM 1012 OD1 ASP A 71 23.464 30.741 46.510 1.00 0.00 O ATOM 1013 OD2 ASP A 71 24.538 32.680 46.319 1.00 0.00 O ATOM 0 H ASP A 71 27.264 29.106 44.460 1.00 0.00 H new ATOM 0 HA ASP A 71 24.425 29.661 44.224 1.00 0.00 H new ATOM 0 HB2 ASP A 71 25.946 29.894 46.322 1.00 0.00 H new ATOM 0 HB3 ASP A 71 26.520 31.371 45.574 1.00 0.00 H new ATOM 1018 N MET A 72 26.460 31.148 42.238 1.00 0.00 N ATOM 1019 CA MET A 72 26.370 31.981 41.025 1.00 0.00 C ATOM 1020 C MET A 72 25.194 31.523 40.144 1.00 0.00 C ATOM 1021 O MET A 72 24.522 32.348 39.523 1.00 0.00 O ATOM 1022 CB MET A 72 27.688 31.929 40.244 1.00 0.00 C ATOM 1023 CG MET A 72 28.859 32.500 41.051 1.00 0.00 C ATOM 1024 SD MET A 72 28.707 34.264 41.451 1.00 0.00 S ATOM 1025 CE MET A 72 28.976 34.956 39.799 1.00 0.00 C ATOM 0 H MET A 72 27.314 30.596 42.316 1.00 0.00 H new ATOM 0 HA MET A 72 26.189 33.014 41.323 1.00 0.00 H new ATOM 0 HB2 MET A 72 27.906 30.897 39.970 1.00 0.00 H new ATOM 0 HB3 MET A 72 27.581 32.489 39.315 1.00 0.00 H new ATOM 0 HG2 MET A 72 28.953 31.937 41.979 1.00 0.00 H new ATOM 0 HG3 MET A 72 29.780 32.346 40.490 1.00 0.00 H new ATOM 0 HE1 MET A 72 29.025 36.043 39.863 1.00 0.00 H new ATOM 0 HE2 MET A 72 29.913 34.574 39.393 1.00 0.00 H new ATOM 0 HE3 MET A 72 28.153 34.668 39.145 1.00 0.00 H new ATOM 1035 N LEU A 73 24.933 30.209 40.154 1.00 0.00 N ATOM 1036 CA LEU A 73 24.061 29.475 39.237 1.00 0.00 C ATOM 1037 C LEU A 73 22.586 29.577 39.649 1.00 0.00 C ATOM 1038 O LEU A 73 21.768 30.060 38.873 1.00 0.00 O ATOM 1039 CB LEU A 73 24.527 28.002 39.167 1.00 0.00 C ATOM 1040 CG LEU A 73 26.044 27.747 39.201 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.298 26.239 39.148 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.733 28.427 38.020 1.00 0.00 C ATOM 0 H LEU A 73 25.355 29.593 40.850 1.00 0.00 H new ATOM 0 HA LEU A 73 24.135 29.923 38.246 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.074 27.464 40.000 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.130 27.564 38.251 1.00 0.00 H new ATOM 0 HG LEU A 73 26.453 28.162 40.122 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.371 26.050 39.172 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.826 25.760 40.006 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.878 25.831 38.229 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.805 28.234 38.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.331 28.032 37.087 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.556 29.502 38.065 1.00 0.00 H new ATOM 1054 N ASP A 74 22.287 29.200 40.899 1.00 0.00 N ATOM 1055 CA ASP A 74 20.980 29.249 41.596 1.00 0.00 C ATOM 1056 C ASP A 74 20.139 30.528 41.395 1.00 0.00 C ATOM 1057 O ASP A 74 18.916 30.516 41.573 1.00 0.00 O ATOM 1058 CB ASP A 74 21.330 29.193 43.095 1.00 0.00 C ATOM 1059 CG ASP A 74 20.123 29.060 44.025 1.00 0.00 C ATOM 1060 OD1 ASP A 74 19.634 27.918 44.209 1.00 0.00 O ATOM 1061 OD2 ASP A 74 19.733 30.063 44.662 1.00 0.00 O ATOM 0 H ASP A 74 23.011 28.819 41.508 1.00 0.00 H new ATOM 0 HA ASP A 74 20.375 28.435 41.196 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.000 28.350 43.267 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.879 30.096 43.361 1.00 0.00 H new ATOM 1066 N LEU A 75 20.790 31.633 41.039 1.00 0.00 N ATOM 1067 CA LEU A 75 20.191 32.955 40.880 1.00 0.00 C ATOM 1068 C LEU A 75 19.689 33.216 39.441 1.00 0.00 C ATOM 1069 O LEU A 75 18.802 34.053 39.249 1.00 0.00 O ATOM 1070 CB LEU A 75 21.219 33.985 41.375 1.00 0.00 C ATOM 1071 CG LEU A 75 21.822 33.691 42.770 1.00 0.00 C ATOM 1072 CD1 LEU A 75 22.720 34.846 43.199 1.00 0.00 C ATOM 1073 CD2 LEU A 75 20.793 33.431 43.869 1.00 0.00 C ATOM 0 H LEU A 75 21.791 31.631 40.845 1.00 0.00 H new ATOM 0 HA LEU A 75 19.285 33.035 41.480 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.031 34.043 40.650 1.00 0.00 H new ATOM 0 HB3 LEU A 75 20.744 34.966 41.401 1.00 0.00 H new ATOM 0 HG LEU A 75 22.386 32.766 42.652 1.00 0.00 H new ATOM 0 HD11 LEU A 75 23.142 34.634 44.181 1.00 0.00 H new ATOM 0 HD12 LEU A 75 23.527 34.967 42.476 1.00 0.00 H new ATOM 0 HD13 LEU A 75 22.134 35.764 43.246 1.00 0.00 H new ATOM 0 HD21 LEU A 75 21.307 33.235 44.810 1.00 0.00 H new ATOM 0 HD22 LEU A 75 20.152 34.305 43.981 1.00 0.00 H new ATOM 0 HD23 LEU A 75 20.185 32.567 43.601 1.00 0.00 H new ATOM 1085 N ALA A 76 20.162 32.450 38.451 1.00 0.00 N ATOM 1086 CA ALA A 76 19.477 32.280 37.167 1.00 0.00 C ATOM 1087 C ALA A 76 18.213 31.427 37.357 1.00 0.00 C ATOM 1088 O ALA A 76 18.183 30.521 38.192 1.00 0.00 O ATOM 1089 CB ALA A 76 20.428 31.639 36.150 1.00 0.00 C ATOM 0 H ALA A 76 21.036 31.928 38.520 1.00 0.00 H new ATOM 0 HA ALA A 76 19.175 33.255 36.784 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.913 31.515 35.198 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.298 32.280 36.011 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.750 30.665 36.517 1.00 0.00 H new ATOM 1095 N TYR A 77 17.158 31.691 36.587 1.00 0.00 N ATOM 1096 CA TYR A 77 15.875 31.015 36.775 1.00 0.00 C ATOM 1097 C TYR A 77 15.927 29.536 36.400 1.00 0.00 C ATOM 1098 O TYR A 77 16.582 29.153 35.425 1.00 0.00 O ATOM 1099 CB TYR A 77 14.792 31.708 35.947 1.00 0.00 C ATOM 1100 CG TYR A 77 13.410 31.125 36.140 1.00 0.00 C ATOM 1101 CD1 TYR A 77 12.753 31.294 37.373 1.00 0.00 C ATOM 1102 CD2 TYR A 77 12.802 30.383 35.110 1.00 0.00 C ATOM 1103 CE1 TYR A 77 11.498 30.697 37.586 1.00 0.00 C ATOM 1104 CE2 TYR A 77 11.544 29.787 35.321 1.00 0.00 C ATOM 1105 CZ TYR A 77 10.898 29.930 36.566 1.00 0.00 C ATOM 1106 OH TYR A 77 9.693 29.344 36.772 1.00 0.00 O ATOM 0 H TYR A 77 17.167 32.370 35.826 1.00 0.00 H new ATOM 0 HA TYR A 77 15.639 31.077 37.837 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.770 32.766 36.208 1.00 0.00 H new ATOM 0 HB3 TYR A 77 15.059 31.645 34.892 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.212 31.881 38.154 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.300 30.271 34.158 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.993 30.826 38.532 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.074 29.221 34.530 1.00 0.00 H new ATOM 0 HH TYR A 77 9.425 28.855 35.966 1.00 0.00 H new ATOM 1116 N GLY A 78 15.155 28.717 37.117 1.00 0.00 N ATOM 1117 CA GLY A 78 14.729 27.422 36.602 1.00 0.00 C ATOM 1118 C GLY A 78 15.881 26.435 36.384 1.00 0.00 C ATOM 1119 O GLY A 78 15.924 25.752 35.358 1.00 0.00 O ATOM 0 H GLY A 78 14.814 28.931 38.054 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.013 26.983 37.296 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.207 27.571 35.657 1.00 0.00 H new ATOM 1123 N LEU A 79 16.854 26.439 37.303 1.00 0.00 N ATOM 1124 CA LEU A 79 18.140 25.749 37.177 1.00 0.00 C ATOM 1125 C LEU A 79 17.980 24.231 37.006 1.00 0.00 C ATOM 1126 O LEU A 79 17.302 23.565 37.782 1.00 0.00 O ATOM 1127 CB LEU A 79 19.080 26.213 38.308 1.00 0.00 C ATOM 1128 CG LEU A 79 20.509 25.697 38.102 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.488 26.655 38.744 1.00 0.00 C ATOM 1130 CD2 LEU A 79 20.803 24.345 38.731 1.00 0.00 C ATOM 0 H LEU A 79 16.762 26.941 38.186 1.00 0.00 H new ATOM 0 HA LEU A 79 18.630 26.034 36.246 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.089 27.302 38.351 1.00 0.00 H new ATOM 0 HB3 LEU A 79 18.699 25.859 39.266 1.00 0.00 H new ATOM 0 HG LEU A 79 20.611 25.608 37.020 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.504 26.289 38.598 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.388 27.639 38.286 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.279 26.728 39.811 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.838 24.067 38.530 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.645 24.403 39.808 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.137 23.594 38.307 1.00 0.00 H new ATOM 1142 N THR A 80 18.598 23.708 35.946 1.00 0.00 N ATOM 1143 CA THR A 80 18.333 22.382 35.367 1.00 0.00 C ATOM 1144 C THR A 80 19.075 21.226 36.035 1.00 0.00 C ATOM 1145 O THR A 80 20.112 21.392 36.680 1.00 0.00 O ATOM 1146 CB THR A 80 18.662 22.366 33.855 1.00 0.00 C ATOM 1147 OG1 THR A 80 19.454 23.460 33.449 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.397 22.361 33.012 1.00 0.00 C ATOM 0 H THR A 80 19.327 24.214 35.444 1.00 0.00 H new ATOM 0 HA THR A 80 17.270 22.219 35.544 1.00 0.00 H new ATOM 0 HB THR A 80 19.228 21.448 33.697 1.00 0.00 H new ATOM 0 HG1 THR A 80 19.141 23.785 32.579 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.664 22.350 31.955 1.00 0.00 H new ATOM 0 HG22 THR A 80 16.807 21.475 33.247 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.812 23.255 33.229 1.00 0.00 H new ATOM 1156 N GLU A 81 18.597 20.010 35.766 1.00 0.00 N ATOM 1157 CA GLU A 81 19.207 18.725 36.153 1.00 0.00 C ATOM 1158 C GLU A 81 20.634 18.499 35.607 1.00 0.00 C ATOM 1159 O GLU A 81 21.340 17.600 36.067 1.00 0.00 O ATOM 1160 CB GLU A 81 18.272 17.615 35.655 1.00 0.00 C ATOM 1161 CG GLU A 81 17.028 17.486 36.544 1.00 0.00 C ATOM 1162 CD GLU A 81 15.979 16.601 35.872 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.198 15.367 35.803 1.00 0.00 O ATOM 1164 OE2 GLU A 81 14.947 17.132 35.391 1.00 0.00 O ATOM 0 H GLU A 81 17.729 19.882 35.246 1.00 0.00 H new ATOM 0 HA GLU A 81 19.321 18.723 37.237 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.968 17.827 34.630 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.808 16.666 35.638 1.00 0.00 H new ATOM 0 HG2 GLU A 81 17.306 17.062 37.509 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.609 18.473 36.738 1.00 0.00 H new ATOM 1171 N THR A 82 21.078 19.304 34.638 1.00 0.00 N ATOM 1172 CA THR A 82 22.468 19.356 34.156 1.00 0.00 C ATOM 1173 C THR A 82 23.036 20.776 34.063 1.00 0.00 C ATOM 1174 O THR A 82 23.879 21.069 33.213 1.00 0.00 O ATOM 1175 CB THR A 82 22.677 18.584 32.854 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.857 19.097 31.832 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.359 17.095 32.891 1.00 0.00 C ATOM 0 H THR A 82 20.465 19.958 34.151 1.00 0.00 H new ATOM 0 HA THR A 82 23.044 18.846 34.928 1.00 0.00 H new ATOM 0 HB THR A 82 23.746 18.708 32.681 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.415 19.394 31.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.546 16.658 31.910 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.991 16.606 33.632 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.312 16.953 33.157 1.00 0.00 H new ATOM 1185 N SER A 83 22.580 21.700 34.912 1.00 0.00 N ATOM 1186 CA SER A 83 23.184 23.033 34.959 1.00 0.00 C ATOM 1187 C SER A 83 24.579 22.994 35.606 1.00 0.00 C ATOM 1188 O SER A 83 24.732 22.554 36.750 1.00 0.00 O ATOM 1189 CB SER A 83 22.271 24.036 35.621 1.00 0.00 C ATOM 1190 OG SER A 83 22.970 25.226 35.924 1.00 0.00 O ATOM 0 H SER A 83 21.810 21.554 35.564 1.00 0.00 H new ATOM 0 HA SER A 83 23.321 23.370 33.931 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.431 24.260 34.963 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.856 23.610 36.534 1.00 0.00 H new ATOM 0 HG SER A 83 22.579 25.972 35.423 1.00 0.00 H new ATOM 1196 N ARG A 84 25.589 23.462 34.864 1.00 0.00 N ATOM 1197 CA ARG A 84 27.013 23.540 35.245 1.00 0.00 C ATOM 1198 C ARG A 84 27.430 25.010 35.411 1.00 0.00 C ATOM 1199 O ARG A 84 26.774 25.934 34.938 1.00 0.00 O ATOM 1200 CB ARG A 84 27.902 22.762 34.218 1.00 0.00 C ATOM 1201 CG ARG A 84 29.367 22.489 34.585 1.00 0.00 C ATOM 1202 CD ARG A 84 29.595 21.752 35.907 1.00 0.00 C ATOM 1203 NE ARG A 84 30.974 21.891 36.414 1.00 0.00 N ATOM 1204 CZ ARG A 84 31.343 21.644 37.660 1.00 0.00 C ATOM 1205 NH1 ARG A 84 30.487 21.387 38.594 1.00 0.00 N ATOM 1206 NH2 ARG A 84 32.589 21.648 38.030 1.00 0.00 N ATOM 0 H ARG A 84 25.429 23.820 33.922 1.00 0.00 H new ATOM 0 HA ARG A 84 27.163 23.054 36.209 1.00 0.00 H new ATOM 0 HB2 ARG A 84 27.423 21.802 34.024 1.00 0.00 H new ATOM 0 HB3 ARG A 84 27.892 23.319 33.281 1.00 0.00 H new ATOM 0 HG2 ARG A 84 29.821 21.907 33.783 1.00 0.00 H new ATOM 0 HG3 ARG A 84 29.896 23.441 34.626 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.899 22.133 36.654 1.00 0.00 H new ATOM 0 HD3 ARG A 84 29.369 20.694 35.771 1.00 0.00 H new ATOM 0 HE ARG A 84 31.692 22.199 35.758 1.00 0.00 H new ATOM 0 HH11 ARG A 84 29.490 21.370 38.381 1.00 0.00 H new ATOM 0 HH12 ARG A 84 30.809 21.201 39.544 1.00 0.00 H new ATOM 0 HH21 ARG A 84 33.322 21.847 37.350 1.00 0.00 H new ATOM 0 HH22 ARG A 84 32.833 21.453 39.001 1.00 0.00 H new ATOM 1220 N LEU A 85 28.564 25.207 36.071 1.00 0.00 N ATOM 1221 CA LEU A 85 29.266 26.487 36.160 1.00 0.00 C ATOM 1222 C LEU A 85 30.183 26.763 34.950 1.00 0.00 C ATOM 1223 O LEU A 85 30.584 25.841 34.236 1.00 0.00 O ATOM 1224 CB LEU A 85 29.974 26.563 37.521 1.00 0.00 C ATOM 1225 CG LEU A 85 30.810 25.351 37.946 1.00 0.00 C ATOM 1226 CD1 LEU A 85 31.940 25.033 36.976 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.407 25.642 39.313 1.00 0.00 C ATOM 0 H LEU A 85 29.038 24.458 36.576 1.00 0.00 H new ATOM 0 HA LEU A 85 28.542 27.301 36.108 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.626 27.437 37.514 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.217 26.736 38.286 1.00 0.00 H new ATOM 0 HG LEU A 85 30.149 24.484 37.963 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.493 24.165 37.334 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.525 24.818 35.992 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.612 25.889 36.907 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.007 24.792 39.636 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.037 26.529 39.253 1.00 0.00 H new ATOM 0 HD23 LEU A 85 30.605 25.814 40.031 1.00 0.00 H new ATOM 1239 N GLY A 86 30.544 28.029 34.731 1.00 0.00 N ATOM 1240 CA GLY A 86 31.343 28.452 33.574 1.00 0.00 C ATOM 1241 C GLY A 86 32.849 28.178 33.681 1.00 0.00 C ATOM 1242 O GLY A 86 33.519 28.041 32.658 1.00 0.00 O ATOM 0 H GLY A 86 30.290 28.796 35.354 1.00 0.00 H new ATOM 0 HA2 GLY A 86 30.961 27.948 32.686 1.00 0.00 H new ATOM 0 HA3 GLY A 86 31.195 29.521 33.422 1.00 0.00 H new ATOM 1246 N CYS A 87 33.387 28.092 34.901 1.00 0.00 N ATOM 1247 CA CYS A 87 34.808 28.287 35.194 1.00 0.00 C ATOM 1248 C CYS A 87 35.537 27.052 35.758 1.00 0.00 C ATOM 1249 O CYS A 87 36.629 26.690 35.314 1.00 0.00 O ATOM 1250 CB CYS A 87 34.836 29.408 36.216 1.00 0.00 C ATOM 1251 SG CYS A 87 33.537 29.245 37.451 1.00 0.00 S ATOM 0 H CYS A 87 32.833 27.880 35.731 1.00 0.00 H new ATOM 0 HA CYS A 87 35.338 28.503 34.266 1.00 0.00 H new ATOM 0 HB2 CYS A 87 35.806 29.419 36.713 1.00 0.00 H new ATOM 0 HB3 CYS A 87 34.729 30.365 35.705 1.00 0.00 H new ATOM 1256 N GLN A 88 34.941 26.387 36.750 1.00 0.00 N ATOM 1257 CA GLN A 88 35.515 25.220 37.437 1.00 0.00 C ATOM 1258 C GLN A 88 35.231 23.876 36.727 1.00 0.00 C ATOM 1259 O GLN A 88 35.122 22.830 37.372 1.00 0.00 O ATOM 1260 CB GLN A 88 35.135 25.245 38.934 1.00 0.00 C ATOM 1261 CG GLN A 88 36.190 24.604 39.851 1.00 0.00 C ATOM 1262 CD GLN A 88 37.521 25.345 39.805 1.00 0.00 C ATOM 1263 OE1 GLN A 88 38.488 24.914 39.183 1.00 0.00 O ATOM 1264 NE2 GLN A 88 37.597 26.507 40.405 1.00 0.00 N ATOM 0 H GLN A 88 34.023 26.649 37.109 1.00 0.00 H new ATOM 0 HA GLN A 88 36.601 25.299 37.380 1.00 0.00 H new ATOM 0 HB2 GLN A 88 34.978 26.279 39.243 1.00 0.00 H new ATOM 0 HB3 GLN A 88 34.186 24.725 39.068 1.00 0.00 H new ATOM 0 HG2 GLN A 88 35.819 24.592 40.876 1.00 0.00 H new ATOM 0 HG3 GLN A 88 36.344 23.566 39.555 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.795 26.867 40.922 1.00 0.00 H new ATOM 0 HE22 GLN A 88 38.458 27.052 40.355 1.00 0.00 H new ATOM 1273 N ILE A 89 35.061 23.867 35.400 1.00 0.00 N ATOM 1274 CA ILE A 89 35.333 22.672 34.587 1.00 0.00 C ATOM 1275 C ILE A 89 35.880 23.058 33.206 1.00 0.00 C ATOM 1276 O ILE A 89 35.623 24.157 32.713 1.00 0.00 O ATOM 1277 CB ILE A 89 34.138 21.684 34.547 1.00 0.00 C ATOM 1278 CG1 ILE A 89 34.656 20.262 34.205 1.00 0.00 C ATOM 1279 CG2 ILE A 89 32.919 22.179 33.734 1.00 0.00 C ATOM 1280 CD1 ILE A 89 34.305 19.666 32.841 1.00 0.00 C ATOM 0 H ILE A 89 34.737 24.672 34.865 1.00 0.00 H new ATOM 0 HA ILE A 89 36.125 22.108 35.080 1.00 0.00 H new ATOM 0 HB ILE A 89 33.701 21.628 35.544 1.00 0.00 H new ATOM 0 HG12 ILE A 89 35.743 20.275 34.291 1.00 0.00 H new ATOM 0 HG13 ILE A 89 34.284 19.581 34.970 1.00 0.00 H new ATOM 0 HG21 ILE A 89 32.133 21.425 33.761 1.00 0.00 H new ATOM 0 HG22 ILE A 89 32.546 23.108 34.166 1.00 0.00 H new ATOM 0 HG23 ILE A 89 33.218 22.354 32.701 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.740 18.670 32.756 1.00 0.00 H new ATOM 0 HD12 ILE A 89 33.222 19.599 32.741 1.00 0.00 H new ATOM 0 HD13 ILE A 89 34.703 20.304 32.052 1.00 0.00 H new ATOM 1292 N LYS A 90 36.682 22.168 32.613 1.00 0.00 N ATOM 1293 CA LYS A 90 37.550 22.440 31.470 1.00 0.00 C ATOM 1294 C LYS A 90 37.631 21.285 30.467 1.00 0.00 C ATOM 1295 O LYS A 90 37.226 20.158 30.753 1.00 0.00 O ATOM 1296 CB LYS A 90 38.944 22.833 31.986 1.00 0.00 C ATOM 1297 CG LYS A 90 39.558 22.020 33.137 1.00 0.00 C ATOM 1298 CD LYS A 90 40.024 20.631 32.687 1.00 0.00 C ATOM 1299 CE LYS A 90 40.979 20.059 33.744 1.00 0.00 C ATOM 1300 NZ LYS A 90 41.547 18.754 33.340 1.00 0.00 N ATOM 0 H LYS A 90 36.744 21.201 32.931 1.00 0.00 H new ATOM 0 HA LYS A 90 37.109 23.266 30.911 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.634 22.787 31.143 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.898 23.875 32.304 1.00 0.00 H new ATOM 0 HG2 LYS A 90 40.404 22.567 33.554 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.823 21.913 33.935 1.00 0.00 H new ATOM 0 HD2 LYS A 90 39.167 19.970 32.556 1.00 0.00 H new ATOM 0 HD3 LYS A 90 40.526 20.696 31.722 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.789 20.767 33.919 1.00 0.00 H new ATOM 0 HE3 LYS A 90 40.446 19.944 34.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 42.185 18.408 34.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 40.777 18.069 33.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 42.079 18.866 32.453 1.00 0.00 H new ATOM 1314 N MET A 91 38.173 21.578 29.291 1.00 0.00 N ATOM 1315 CA MET A 91 38.339 20.649 28.176 1.00 0.00 C ATOM 1316 C MET A 91 39.430 19.596 28.443 1.00 0.00 C ATOM 1317 O MET A 91 40.443 19.905 29.062 1.00 0.00 O ATOM 1318 CB MET A 91 38.657 21.434 26.895 1.00 0.00 C ATOM 1319 CG MET A 91 37.659 22.535 26.515 1.00 0.00 C ATOM 1320 SD MET A 91 35.898 22.108 26.512 1.00 0.00 S ATOM 1321 CE MET A 91 35.309 23.033 27.948 1.00 0.00 C ATOM 0 H MET A 91 38.525 22.511 29.077 1.00 0.00 H new ATOM 0 HA MET A 91 37.401 20.107 28.056 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.642 21.887 27.005 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.722 20.728 26.067 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.801 23.369 27.202 1.00 0.00 H new ATOM 0 HG3 MET A 91 37.919 22.895 25.519 1.00 0.00 H new ATOM 0 HE1 MET A 91 34.228 22.925 28.032 1.00 0.00 H new ATOM 0 HE2 MET A 91 35.783 22.646 28.850 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.561 24.087 27.830 1.00 0.00 H new ATOM 1331 N SER A 92 39.224 18.374 27.951 1.00 0.00 N ATOM 1332 CA SER A 92 40.158 17.229 27.857 1.00 0.00 C ATOM 1333 C SER A 92 39.488 16.116 27.030 1.00 0.00 C ATOM 1334 O SER A 92 38.370 16.314 26.561 1.00 0.00 O ATOM 1335 CB SER A 92 40.500 16.704 29.255 1.00 0.00 C ATOM 1336 OG SER A 92 39.305 16.388 29.955 1.00 0.00 O ATOM 0 H SER A 92 38.311 18.127 27.568 1.00 0.00 H new ATOM 0 HA SER A 92 41.082 17.549 27.376 1.00 0.00 H new ATOM 0 HB2 SER A 92 41.132 15.819 29.177 1.00 0.00 H new ATOM 0 HB3 SER A 92 41.068 17.453 29.806 1.00 0.00 H new ATOM 0 HG SER A 92 39.528 16.051 30.848 1.00 0.00 H new ATOM 1342 N LYS A 93 40.078 14.922 26.880 1.00 0.00 N ATOM 1343 CA LYS A 93 39.459 13.763 26.195 1.00 0.00 C ATOM 1344 C LYS A 93 38.059 13.377 26.690 1.00 0.00 C ATOM 1345 O LYS A 93 37.325 12.706 25.968 1.00 0.00 O ATOM 1346 CB LYS A 93 40.412 12.556 26.286 1.00 0.00 C ATOM 1347 CG LYS A 93 40.637 12.066 27.735 1.00 0.00 C ATOM 1348 CD LYS A 93 41.666 10.933 27.849 1.00 0.00 C ATOM 1349 CE LYS A 93 43.059 11.397 27.412 1.00 0.00 C ATOM 1350 NZ LYS A 93 44.079 10.342 27.604 1.00 0.00 N ATOM 0 H LYS A 93 41.014 14.724 27.234 1.00 0.00 H new ATOM 0 HA LYS A 93 39.307 14.073 25.161 1.00 0.00 H new ATOM 0 HB2 LYS A 93 40.008 11.737 25.691 1.00 0.00 H new ATOM 0 HB3 LYS A 93 41.373 12.826 25.847 1.00 0.00 H new ATOM 0 HG2 LYS A 93 40.965 12.906 28.347 1.00 0.00 H new ATOM 0 HG3 LYS A 93 39.687 11.725 28.146 1.00 0.00 H new ATOM 0 HD2 LYS A 93 41.706 10.578 28.879 1.00 0.00 H new ATOM 0 HD3 LYS A 93 41.352 10.091 27.233 1.00 0.00 H new ATOM 0 HE2 LYS A 93 43.032 11.688 26.362 1.00 0.00 H new ATOM 0 HE3 LYS A 93 43.342 12.283 27.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 45.007 10.696 27.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 44.124 10.082 28.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 43.824 9.506 27.041 1.00 0.00 H new ATOM 1364 N ASP A 94 37.677 13.815 27.892 1.00 0.00 N ATOM 1365 CA ASP A 94 36.331 13.630 28.445 1.00 0.00 C ATOM 1366 C ASP A 94 35.255 14.455 27.725 1.00 0.00 C ATOM 1367 O ASP A 94 34.077 14.101 27.767 1.00 0.00 O ATOM 1368 CB ASP A 94 36.331 13.989 29.943 1.00 0.00 C ATOM 1369 CG ASP A 94 36.295 12.737 30.809 1.00 0.00 C ATOM 1370 OD1 ASP A 94 35.318 11.962 30.668 1.00 0.00 O ATOM 1371 OD2 ASP A 94 37.241 12.520 31.606 1.00 0.00 O ATOM 0 H ASP A 94 38.305 14.317 28.520 1.00 0.00 H new ATOM 0 HA ASP A 94 36.077 12.580 28.297 1.00 0.00 H new ATOM 0 HB2 ASP A 94 37.221 14.573 30.180 1.00 0.00 H new ATOM 0 HB3 ASP A 94 35.469 14.616 30.169 1.00 0.00 H new ATOM 1376 N ILE A 95 35.655 15.543 27.063 1.00 0.00 N ATOM 1377 CA ILE A 95 34.769 16.477 26.363 1.00 0.00 C ATOM 1378 C ILE A 95 34.620 16.171 24.881 1.00 0.00 C ATOM 1379 O ILE A 95 34.076 17.006 24.179 1.00 0.00 O ATOM 1380 CB ILE A 95 35.193 17.948 26.575 1.00 0.00 C ATOM 1381 CG1 ILE A 95 36.379 18.371 25.665 1.00 0.00 C ATOM 1382 CG2 ILE A 95 35.432 18.243 28.066 1.00 0.00 C ATOM 1383 CD1 ILE A 95 36.038 19.393 24.572 1.00 0.00 C ATOM 0 H ILE A 95 36.638 15.807 26.997 1.00 0.00 H new ATOM 0 HA ILE A 95 33.787 16.335 26.815 1.00 0.00 H new ATOM 0 HB ILE A 95 34.362 18.577 26.257 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.167 18.786 26.293 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.787 17.479 25.190 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.729 19.285 28.188 1.00 0.00 H new ATOM 0 HG22 ILE A 95 34.514 18.060 28.625 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.222 17.594 28.443 1.00 0.00 H new ATOM 0 HD11 ILE A 95 36.934 19.620 23.994 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.276 18.979 23.912 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.662 20.307 25.033 1.00 0.00 H new ATOM 1395 N ASP A 96 35.125 15.040 24.383 1.00 0.00 N ATOM 1396 CA ASP A 96 35.233 14.751 22.949 1.00 0.00 C ATOM 1397 C ASP A 96 33.847 14.704 22.263 1.00 0.00 C ATOM 1398 O ASP A 96 33.196 13.655 22.156 1.00 0.00 O ATOM 1399 CB ASP A 96 36.083 13.484 22.785 1.00 0.00 C ATOM 1400 CG ASP A 96 36.303 13.069 21.329 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.880 13.864 20.551 1.00 0.00 O ATOM 1402 OD2 ASP A 96 35.929 11.928 20.968 1.00 0.00 O ATOM 0 H ASP A 96 35.476 14.286 24.974 1.00 0.00 H new ATOM 0 HA ASP A 96 35.743 15.559 22.425 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.052 13.645 23.257 1.00 0.00 H new ATOM 0 HB3 ASP A 96 35.601 12.664 23.317 1.00 0.00 H new ATOM 1407 N GLY A 97 33.385 15.897 21.880 1.00 0.00 N ATOM 1408 CA GLY A 97 32.091 16.221 21.257 1.00 0.00 C ATOM 1409 C GLY A 97 31.094 17.029 22.119 1.00 0.00 C ATOM 1410 O GLY A 97 29.919 17.093 21.757 1.00 0.00 O ATOM 0 H GLY A 97 33.952 16.735 22.007 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.284 16.782 20.342 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.610 15.288 20.964 1.00 0.00 H new ATOM 1414 N ILE A 98 31.508 17.596 23.259 1.00 0.00 N ATOM 1415 CA ILE A 98 30.665 18.224 24.298 1.00 0.00 C ATOM 1416 C ILE A 98 29.686 19.284 23.785 1.00 0.00 C ATOM 1417 O ILE A 98 29.986 20.030 22.854 1.00 0.00 O ATOM 1418 CB ILE A 98 31.564 18.797 25.424 1.00 0.00 C ATOM 1419 CG1 ILE A 98 30.815 19.145 26.733 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.437 19.965 24.931 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.543 20.627 27.025 1.00 0.00 C ATOM 0 H ILE A 98 32.498 17.634 23.500 1.00 0.00 H new ATOM 0 HA ILE A 98 30.028 17.430 24.687 1.00 0.00 H new ATOM 0 HB ILE A 98 32.228 17.976 25.692 1.00 0.00 H new ATOM 0 HG12 ILE A 98 29.858 18.624 26.721 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.388 18.738 27.566 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.049 20.334 25.754 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.083 19.621 24.124 1.00 0.00 H new ATOM 0 HG23 ILE A 98 31.797 20.769 24.566 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.013 20.720 27.973 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.489 21.166 27.084 1.00 0.00 H new ATOM 0 HD13 ILE A 98 29.934 21.050 26.226 1.00 0.00 H new ATOM 1433 N ARG A 99 28.538 19.408 24.461 1.00 0.00 N ATOM 1434 CA ARG A 99 27.566 20.493 24.276 1.00 0.00 C ATOM 1435 C ARG A 99 27.287 21.229 25.568 1.00 0.00 C ATOM 1436 O ARG A 99 27.202 20.603 26.629 1.00 0.00 O ATOM 1437 CB ARG A 99 26.204 19.922 23.841 1.00 0.00 C ATOM 1438 CG ARG A 99 25.373 20.809 22.900 1.00 0.00 C ATOM 1439 CD ARG A 99 23.878 20.436 22.976 1.00 0.00 C ATOM 1440 NE ARG A 99 23.622 19.029 22.592 1.00 0.00 N ATOM 1441 CZ ARG A 99 22.810 18.164 23.182 1.00 0.00 C ATOM 1442 NH1 ARG A 99 22.062 18.481 24.198 1.00 0.00 N ATOM 1443 NH2 ARG A 99 22.720 16.936 22.759 1.00 0.00 N ATOM 0 H ARG A 99 28.251 18.737 25.173 1.00 0.00 H new ATOM 0 HA ARG A 99 28.001 21.159 23.531 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.374 18.964 23.350 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.614 19.722 24.735 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.505 21.857 23.169 1.00 0.00 H new ATOM 0 HG3 ARG A 99 25.729 20.695 21.876 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.517 20.603 23.991 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.309 21.097 22.322 1.00 0.00 H new ATOM 0 HE ARG A 99 24.131 18.685 21.777 1.00 0.00 H new ATOM 0 HH11 ARG A 99 22.086 19.429 24.572 1.00 0.00 H new ATOM 0 HH12 ARG A 99 21.452 17.781 24.620 1.00 0.00 H new ATOM 0 HH21 ARG A 99 23.279 16.628 21.963 1.00 0.00 H new ATOM 0 HH22 ARG A 99 22.090 16.281 23.223 1.00 0.00 H new ATOM 1457 N VAL A 100 26.945 22.501 25.422 1.00 0.00 N ATOM 1458 CA VAL A 100 26.160 23.243 26.399 1.00 0.00 C ATOM 1459 C VAL A 100 25.157 24.204 25.754 1.00 0.00 C ATOM 1460 O VAL A 100 25.328 24.633 24.616 1.00 0.00 O ATOM 1461 CB VAL A 100 27.081 24.058 27.353 1.00 0.00 C ATOM 1462 CG1 VAL A 100 27.916 23.205 28.318 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.059 24.963 26.577 1.00 0.00 C ATOM 0 H VAL A 100 27.209 23.056 24.608 1.00 0.00 H new ATOM 0 HA VAL A 100 25.603 22.492 26.960 1.00 0.00 H new ATOM 0 HB VAL A 100 26.377 24.649 27.938 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.527 23.856 28.944 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.252 22.614 28.949 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.563 22.539 27.748 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.682 25.513 27.282 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.691 24.349 25.935 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.495 25.667 25.965 1.00 0.00 H new ATOM 1473 N ALA A 101 24.138 24.603 26.506 1.00 0.00 N ATOM 1474 CA ALA A 101 23.437 25.872 26.312 1.00 0.00 C ATOM 1475 C ALA A 101 23.857 26.861 27.411 1.00 0.00 C ATOM 1476 O ALA A 101 24.445 26.474 28.418 1.00 0.00 O ATOM 1477 CB ALA A 101 21.941 25.579 26.292 1.00 0.00 C ATOM 0 H ALA A 101 23.769 24.049 27.279 1.00 0.00 H new ATOM 0 HA ALA A 101 23.697 26.345 25.365 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.390 26.509 26.148 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.715 24.894 25.475 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.646 25.125 27.238 1.00 0.00 H new ATOM 1483 N LEU A 102 23.617 28.144 27.178 1.00 0.00 N ATOM 1484 CA LEU A 102 24.390 29.268 27.714 1.00 0.00 C ATOM 1485 C LEU A 102 23.479 30.310 28.408 1.00 0.00 C ATOM 1486 O LEU A 102 22.250 30.181 28.343 1.00 0.00 O ATOM 1487 CB LEU A 102 25.176 29.823 26.506 1.00 0.00 C ATOM 1488 CG LEU A 102 26.620 29.321 26.337 1.00 0.00 C ATOM 1489 CD1 LEU A 102 27.190 29.869 25.029 1.00 0.00 C ATOM 1490 CD2 LEU A 102 27.581 29.775 27.437 1.00 0.00 C ATOM 0 H LEU A 102 22.845 28.449 26.585 1.00 0.00 H new ATOM 0 HA LEU A 102 25.077 28.968 28.506 1.00 0.00 H new ATOM 0 HB2 LEU A 102 24.622 29.581 25.599 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.200 30.910 26.585 1.00 0.00 H new ATOM 0 HG LEU A 102 26.551 28.234 26.367 1.00 0.00 H new ATOM 0 HD11 LEU A 102 28.214 29.517 24.903 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.581 29.523 24.194 1.00 0.00 H new ATOM 0 HD13 LEU A 102 27.182 30.959 25.057 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.576 29.376 27.239 1.00 0.00 H new ATOM 0 HD22 LEU A 102 27.624 30.864 27.456 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.229 29.409 28.402 1.00 0.00 H new ATOM 1502 N PRO A 103 24.027 31.315 29.125 1.00 0.00 N ATOM 1503 CA PRO A 103 23.224 32.166 29.994 1.00 0.00 C ATOM 1504 C PRO A 103 22.380 33.166 29.198 1.00 0.00 C ATOM 1505 O PRO A 103 22.868 33.843 28.293 1.00 0.00 O ATOM 1506 CB PRO A 103 24.211 32.862 30.935 1.00 0.00 C ATOM 1507 CG PRO A 103 25.490 32.938 30.105 1.00 0.00 C ATOM 1508 CD PRO A 103 25.436 31.670 29.252 1.00 0.00 C ATOM 0 HA PRO A 103 22.500 31.578 30.557 1.00 0.00 H new ATOM 0 HB2 PRO A 103 23.860 33.852 31.226 1.00 0.00 H new ATOM 0 HB3 PRO A 103 24.360 32.294 31.854 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.516 33.836 29.488 1.00 0.00 H new ATOM 0 HG3 PRO A 103 26.378 32.960 30.737 1.00 0.00 H new ATOM 0 HD2 PRO A 103 25.882 31.842 28.273 1.00 0.00 H new ATOM 0 HD3 PRO A 103 25.999 30.863 29.721 1.00 0.00 H new ATOM 1516 N GLN A 104 21.114 33.304 29.593 1.00 0.00 N ATOM 1517 CA GLN A 104 20.210 34.357 29.124 1.00 0.00 C ATOM 1518 C GLN A 104 20.229 35.586 30.046 1.00 0.00 C ATOM 1519 O GLN A 104 20.005 36.702 29.580 1.00 0.00 O ATOM 1520 CB GLN A 104 18.789 33.792 28.943 1.00 0.00 C ATOM 1521 CG GLN A 104 18.144 33.260 30.234 1.00 0.00 C ATOM 1522 CD GLN A 104 16.762 32.681 29.975 1.00 0.00 C ATOM 1523 OE1 GLN A 104 16.605 31.500 29.692 1.00 0.00 O ATOM 1524 NE2 GLN A 104 15.721 33.474 30.030 1.00 0.00 N ATOM 0 H GLN A 104 20.677 32.672 30.264 1.00 0.00 H new ATOM 0 HA GLN A 104 20.565 34.703 28.153 1.00 0.00 H new ATOM 0 HB2 GLN A 104 18.151 34.573 28.529 1.00 0.00 H new ATOM 0 HB3 GLN A 104 18.823 32.986 28.210 1.00 0.00 H new ATOM 0 HG2 GLN A 104 18.784 32.493 30.671 1.00 0.00 H new ATOM 0 HG3 GLN A 104 18.070 34.067 30.963 1.00 0.00 H new ATOM 0 HE21 GLN A 104 15.842 34.459 30.265 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.789 33.106 29.838 1.00 0.00 H new ATOM 1533 N MET A 105 20.511 35.398 31.340 1.00 0.00 N ATOM 1534 CA MET A 105 20.357 36.436 32.361 1.00 0.00 C ATOM 1535 C MET A 105 21.396 37.561 32.219 1.00 0.00 C ATOM 1536 O MET A 105 22.606 37.341 32.344 1.00 0.00 O ATOM 1537 CB MET A 105 20.405 35.782 33.750 1.00 0.00 C ATOM 1538 CG MET A 105 19.920 36.720 34.858 1.00 0.00 C ATOM 1539 SD MET A 105 20.055 35.985 36.509 1.00 0.00 S ATOM 1540 CE MET A 105 19.241 37.268 37.497 1.00 0.00 C ATOM 0 H MET A 105 20.856 34.512 31.710 1.00 0.00 H new ATOM 0 HA MET A 105 19.388 36.917 32.224 1.00 0.00 H new ATOM 0 HB2 MET A 105 19.790 34.882 33.745 1.00 0.00 H new ATOM 0 HB3 MET A 105 21.427 35.469 33.965 1.00 0.00 H new ATOM 0 HG2 MET A 105 20.500 37.642 34.827 1.00 0.00 H new ATOM 0 HG3 MET A 105 18.881 36.991 34.670 1.00 0.00 H new ATOM 0 HE1 MET A 105 19.238 36.972 38.546 1.00 0.00 H new ATOM 0 HE2 MET A 105 19.780 38.209 37.387 1.00 0.00 H new ATOM 0 HE3 MET A 105 18.215 37.396 37.153 1.00 0.00 H new ATOM 1550 N THR A 106 20.906 38.786 32.010 1.00 0.00 N ATOM 1551 CA THR A 106 21.712 40.010 31.895 1.00 0.00 C ATOM 1552 C THR A 106 22.224 40.457 33.270 1.00 0.00 C ATOM 1553 O THR A 106 21.572 41.231 33.974 1.00 0.00 O ATOM 1554 CB THR A 106 20.895 41.126 31.220 1.00 0.00 C ATOM 1555 OG1 THR A 106 20.321 40.669 30.010 1.00 0.00 O ATOM 1556 CG2 THR A 106 21.746 42.344 30.871 1.00 0.00 C ATOM 0 H THR A 106 19.906 38.961 31.913 1.00 0.00 H new ATOM 0 HA THR A 106 22.580 39.796 31.271 1.00 0.00 H new ATOM 0 HB THR A 106 20.129 41.406 31.943 1.00 0.00 H new ATOM 0 HG1 THR A 106 20.996 40.183 29.491 1.00 0.00 H new ATOM 0 HG21 THR A 106 21.121 43.101 30.397 1.00 0.00 H new ATOM 0 HG22 THR A 106 22.185 42.754 31.781 1.00 0.00 H new ATOM 0 HG23 THR A 106 22.540 42.049 30.185 1.00 0.00 H new ATOM 1564 N ARG A 107 23.394 39.943 33.664 1.00 0.00 N ATOM 1565 CA ARG A 107 24.149 40.308 34.880 1.00 0.00 C ATOM 1566 C ARG A 107 25.651 40.267 34.598 1.00 0.00 C ATOM 1567 O ARG A 107 26.108 39.366 33.894 1.00 0.00 O ATOM 1568 CB ARG A 107 23.800 39.356 36.046 1.00 0.00 C ATOM 1569 CG ARG A 107 22.363 39.482 36.589 1.00 0.00 C ATOM 1570 CD ARG A 107 22.090 40.874 37.170 1.00 0.00 C ATOM 1571 NE ARG A 107 20.723 41.016 37.701 1.00 0.00 N ATOM 1572 CZ ARG A 107 19.776 41.798 37.209 1.00 0.00 C ATOM 1573 NH1 ARG A 107 19.823 42.329 36.023 1.00 0.00 N ATOM 1574 NH2 ARG A 107 18.722 42.089 37.904 1.00 0.00 N ATOM 0 H ARG A 107 23.869 39.224 33.119 1.00 0.00 H new ATOM 0 HA ARG A 107 23.869 41.321 35.168 1.00 0.00 H new ATOM 0 HB2 ARG A 107 23.958 38.329 35.715 1.00 0.00 H new ATOM 0 HB3 ARG A 107 24.497 39.538 36.864 1.00 0.00 H new ATOM 0 HG2 ARG A 107 21.653 39.278 35.787 1.00 0.00 H new ATOM 0 HG3 ARG A 107 22.199 38.729 37.360 1.00 0.00 H new ATOM 0 HD2 ARG A 107 22.806 41.077 37.966 1.00 0.00 H new ATOM 0 HD3 ARG A 107 22.253 41.624 36.396 1.00 0.00 H new ATOM 0 HE ARG A 107 20.485 40.461 38.523 1.00 0.00 H new ATOM 0 HH11 ARG A 107 20.623 42.150 35.416 1.00 0.00 H new ATOM 0 HH12 ARG A 107 19.060 42.924 35.700 1.00 0.00 H new ATOM 0 HH21 ARG A 107 18.613 41.714 38.846 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.002 42.694 37.509 1.00 0.00 H new ATOM 1588 N ASN A 108 26.405 41.236 35.113 1.00 0.00 N ATOM 1589 CA ASN A 108 27.871 41.301 35.015 1.00 0.00 C ATOM 1590 C ASN A 108 28.499 42.335 35.977 1.00 0.00 C ATOM 1591 O ASN A 108 29.608 42.117 36.462 1.00 0.00 O ATOM 1592 CB ASN A 108 28.282 41.649 33.562 1.00 0.00 C ATOM 1593 CG ASN A 108 29.658 41.106 33.211 1.00 0.00 C ATOM 1594 OD1 ASN A 108 29.808 40.275 32.323 1.00 0.00 O ATOM 1595 ND2 ASN A 108 30.683 41.526 33.907 1.00 0.00 N ATOM 0 H ASN A 108 26.006 42.023 35.626 1.00 0.00 H new ATOM 0 HA ASN A 108 28.247 40.319 35.302 1.00 0.00 H new ATOM 0 HB2 ASN A 108 27.545 41.242 32.870 1.00 0.00 H new ATOM 0 HB3 ASN A 108 28.276 42.731 33.434 1.00 0.00 H new ATOM 0 HD21 ASN A 108 31.616 41.162 33.712 1.00 0.00 H new ATOM 0 HD22 ASN A 108 30.550 42.218 34.644 1.00 0.00 H new ATOM 1602 N VAL A 109 27.819 43.466 36.208 1.00 0.00 N ATOM 1603 CA VAL A 109 28.356 44.755 36.700 1.00 0.00 C ATOM 1604 C VAL A 109 29.323 45.421 35.702 1.00 0.00 C ATOM 1605 O VAL A 109 30.150 44.769 35.058 1.00 0.00 O ATOM 1606 CB VAL A 109 28.918 44.678 38.143 1.00 0.00 C ATOM 1607 CG1 VAL A 109 29.266 46.065 38.703 1.00 0.00 C ATOM 1608 CG2 VAL A 109 27.914 44.038 39.108 1.00 0.00 C ATOM 0 H VAL A 109 26.813 43.515 36.048 1.00 0.00 H new ATOM 0 HA VAL A 109 27.497 45.423 36.767 1.00 0.00 H new ATOM 0 HB VAL A 109 29.819 44.068 38.071 1.00 0.00 H new ATOM 0 HG11 VAL A 109 29.656 45.961 39.716 1.00 0.00 H new ATOM 0 HG12 VAL A 109 30.020 46.534 38.070 1.00 0.00 H new ATOM 0 HG13 VAL A 109 28.370 46.685 38.721 1.00 0.00 H new ATOM 0 HG21 VAL A 109 28.344 44.002 40.109 1.00 0.00 H new ATOM 0 HG22 VAL A 109 26.999 44.631 39.127 1.00 0.00 H new ATOM 0 HG23 VAL A 109 27.684 43.026 38.775 1.00 0.00 H new ATOM 1618 N ASN A 110 29.201 46.744 35.557 1.00 0.00 N ATOM 1619 CA ASN A 110 30.020 47.608 34.696 1.00 0.00 C ATOM 1620 C ASN A 110 30.253 48.993 35.351 1.00 0.00 C ATOM 1621 O ASN A 110 29.742 49.264 36.442 1.00 0.00 O ATOM 1622 CB ASN A 110 29.361 47.682 33.298 1.00 0.00 C ATOM 1623 CG ASN A 110 27.956 48.266 33.287 1.00 0.00 C ATOM 1624 OD1 ASN A 110 27.669 49.301 33.877 1.00 0.00 O ATOM 1625 ND2 ASN A 110 27.022 47.650 32.600 1.00 0.00 N ATOM 0 H ASN A 110 28.490 47.271 36.064 1.00 0.00 H new ATOM 0 HA ASN A 110 31.017 47.185 34.570 1.00 0.00 H new ATOM 0 HB2 ASN A 110 29.994 48.282 32.644 1.00 0.00 H new ATOM 0 HB3 ASN A 110 29.326 46.678 32.874 1.00 0.00 H new ATOM 0 HD21 ASN A 110 26.078 48.034 32.564 1.00 0.00 H new ATOM 0 HD22 ASN A 110 27.241 46.787 32.102 1.00 0.00 H new ATOM 1632 N ASN A 111 31.045 49.864 34.709 1.00 0.00 N ATOM 1633 CA ASN A 111 31.469 51.179 35.221 1.00 0.00 C ATOM 1634 C ASN A 111 32.192 51.127 36.596 1.00 0.00 C ATOM 1635 O ASN A 111 32.231 52.106 37.344 1.00 0.00 O ATOM 1636 CB ASN A 111 30.277 52.154 35.121 1.00 0.00 C ATOM 1637 CG ASN A 111 30.657 53.604 35.362 1.00 0.00 C ATOM 1638 OD1 ASN A 111 31.413 54.212 34.612 1.00 0.00 O ATOM 1639 ND2 ASN A 111 30.129 54.209 36.396 1.00 0.00 N ATOM 0 H ASN A 111 31.423 49.666 33.783 1.00 0.00 H new ATOM 0 HA ASN A 111 32.265 51.573 34.589 1.00 0.00 H new ATOM 0 HB2 ASN A 111 29.827 52.064 34.132 1.00 0.00 H new ATOM 0 HB3 ASN A 111 29.517 51.861 35.845 1.00 0.00 H new ATOM 0 HD21 ASN A 111 30.346 55.189 36.579 1.00 0.00 H new ATOM 0 HD22 ASN A 111 29.500 53.701 37.018 1.00 0.00 H new ATOM 1646 N ASN A 112 32.783 49.977 36.933 1.00 0.00 N ATOM 1647 CA ASN A 112 33.583 49.749 38.140 1.00 0.00 C ATOM 1648 C ASN A 112 35.097 49.860 37.852 1.00 0.00 C ATOM 1649 O ASN A 112 35.890 50.108 38.761 1.00 0.00 O ATOM 1650 CB ASN A 112 33.170 48.380 38.714 1.00 0.00 C ATOM 1651 CG ASN A 112 33.768 48.093 40.080 1.00 0.00 C ATOM 1652 OD1 ASN A 112 34.622 47.230 40.242 1.00 0.00 O ATOM 1653 ND2 ASN A 112 33.344 48.800 41.097 1.00 0.00 N ATOM 0 H ASN A 112 32.714 49.145 36.348 1.00 0.00 H new ATOM 0 HA ASN A 112 33.389 50.521 38.884 1.00 0.00 H new ATOM 0 HB2 ASN A 112 32.083 48.337 38.785 1.00 0.00 H new ATOM 0 HB3 ASN A 112 33.475 47.597 38.020 1.00 0.00 H new ATOM 0 HD21 ASN A 112 33.725 48.633 42.028 1.00 0.00 H new ATOM 0 HD22 ASN A 112 32.633 49.518 40.958 1.00 0.00 H new ATOM 1660 N ASP A 113 35.516 49.706 36.592 1.00 0.00 N ATOM 1661 CA ASP A 113 36.886 49.957 36.126 1.00 0.00 C ATOM 1662 C ASP A 113 37.091 51.416 35.668 1.00 0.00 C ATOM 1663 O ASP A 113 36.129 52.168 35.477 1.00 0.00 O ATOM 1664 CB ASP A 113 37.250 48.949 35.020 1.00 0.00 C ATOM 1665 CG ASP A 113 38.753 48.652 34.930 1.00 0.00 C ATOM 1666 OD1 ASP A 113 39.563 49.310 35.631 1.00 0.00 O ATOM 1667 OD2 ASP A 113 39.118 47.707 34.193 1.00 0.00 O ATOM 0 H ASP A 113 34.894 49.394 35.846 1.00 0.00 H new ATOM 0 HA ASP A 113 37.565 49.812 36.966 1.00 0.00 H new ATOM 0 HB2 ASP A 113 36.714 48.017 35.199 1.00 0.00 H new ATOM 0 HB3 ASP A 113 36.906 49.335 34.060 1.00 0.00 H new ATOM 1672 N PHE A 114 38.352 51.830 35.505 1.00 0.00 N ATOM 1673 CA PHE A 114 38.781 53.175 35.076 1.00 0.00 C ATOM 1674 C PHE A 114 38.170 54.321 35.914 1.00 0.00 C ATOM 1675 O PHE A 114 37.919 55.423 35.410 1.00 0.00 O ATOM 1676 CB PHE A 114 38.583 53.325 33.556 1.00 0.00 C ATOM 1677 CG PHE A 114 38.994 52.104 32.748 1.00 0.00 C ATOM 1678 CD1 PHE A 114 40.322 51.636 32.794 1.00 0.00 C ATOM 1679 CD2 PHE A 114 38.040 51.410 31.979 1.00 0.00 C ATOM 1680 CE1 PHE A 114 40.694 50.487 32.073 1.00 0.00 C ATOM 1681 CE2 PHE A 114 38.411 50.260 31.261 1.00 0.00 C ATOM 1682 CZ PHE A 114 39.737 49.797 31.308 1.00 0.00 C ATOM 0 H PHE A 114 39.143 51.210 35.676 1.00 0.00 H new ATOM 0 HA PHE A 114 39.848 53.270 35.278 1.00 0.00 H new ATOM 0 HB2 PHE A 114 37.533 53.541 33.358 1.00 0.00 H new ATOM 0 HB3 PHE A 114 39.156 54.185 33.210 1.00 0.00 H new ATOM 0 HD1 PHE A 114 41.057 52.162 33.385 1.00 0.00 H new ATOM 0 HD2 PHE A 114 37.020 51.763 31.941 1.00 0.00 H new ATOM 0 HE1 PHE A 114 41.714 50.135 32.107 1.00 0.00 H new ATOM 0 HE2 PHE A 114 37.676 49.731 30.672 1.00 0.00 H new ATOM 0 HZ PHE A 114 40.021 48.912 30.757 1.00 0.00 H new ATOM 1692 N SER A 115 37.889 54.014 37.189 1.00 0.00 N ATOM 1693 CA SER A 115 37.078 54.785 38.148 1.00 0.00 C ATOM 1694 C SER A 115 37.723 54.791 39.525 1.00 0.00 C ATOM 1695 O SER A 115 38.214 53.720 39.957 1.00 0.00 O ATOM 1696 CB SER A 115 35.668 54.200 38.264 1.00 0.00 C ATOM 1697 OG SER A 115 35.074 54.146 36.983 1.00 0.00 O ATOM 1698 OXT SER A 115 37.799 55.881 40.133 1.00 0.00 O ATOM 0 H SER A 115 38.248 53.157 37.610 1.00 0.00 H new ATOM 0 HA SER A 115 37.017 55.807 37.773 1.00 0.00 H new ATOM 0 HB2 SER A 115 35.712 53.201 38.699 1.00 0.00 H new ATOM 0 HB3 SER A 115 35.062 54.812 38.932 1.00 0.00 H new ATOM 0 HG SER A 115 35.554 53.497 36.427 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 32.501 33.361 36.387 1.00 0.00 FE HETATM 1706 FE2 FES A 201 32.086 30.963 37.007 1.00 0.00 FE HETATM 1707 S1 FES A 201 32.271 32.624 38.431 1.00 0.00 S HETATM 1708 S2 FES A 201 32.349 31.696 34.971 1.00 0.00 S