USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 14 THR OG1 : rot 180:sc= 0.599 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -128:sc= 1.74 (180deg=0.189) USER MOD Single : A 1 MET CE :methyl -138:sc= 0 (180deg=-0.45) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -49:sc= 0.555 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 0.855 (180deg=0.133!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 25 ASN : amide:sc= 1.13 K(o=1.1,f=-0.78) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 0.878 (180deg=0.112) USER MOD Single : A 29 LYS NZ :NH3+ -143:sc= 1.74 (180deg=0.575) USER MOD Single : A 31 GLN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0352 K(o=-0.035,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= 0.351 K(o=0.35,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 55 THR OG1 : rot -46:sc= 0.816 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.555 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -150:sc= 0.177 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.990 32.417 16.466 1.00 0.00 N ATOM 2 CA MET A 1 13.484 31.332 17.321 1.00 0.00 C ATOM 3 C MET A 1 14.934 31.550 17.752 1.00 0.00 C ATOM 4 O MET A 1 15.755 31.340 16.858 1.00 0.00 O ATOM 5 CB MET A 1 13.188 29.963 16.712 1.00 0.00 C ATOM 6 CG MET A 1 14.067 28.815 17.224 1.00 0.00 C ATOM 7 SD MET A 1 13.675 27.971 18.776 1.00 0.00 S ATOM 8 CE MET A 1 14.940 26.698 18.941 1.00 0.00 C ATOM 0 H1 MET A 1 12.003 32.226 16.199 1.00 0.00 H new ATOM 0 H2 MET A 1 13.041 33.317 16.984 1.00 0.00 H new ATOM 0 H3 MET A 1 13.576 32.477 15.609 1.00 0.00 H new ATOM 0 HA MET A 1 12.925 31.351 18.256 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.145 29.715 16.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.303 30.032 15.630 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.089 28.055 16.443 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.081 29.205 17.318 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.482 25.773 19.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.411 26.526 17.973 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.693 27.024 19.658 1.00 0.00 H new ATOM 20 N GLN A 2 15.208 32.046 18.949 1.00 0.00 N ATOM 21 CA GLN A 2 16.570 32.314 19.372 1.00 0.00 C ATOM 22 C GLN A 2 17.024 31.228 20.360 1.00 0.00 C ATOM 23 O GLN A 2 16.152 30.730 21.066 1.00 0.00 O ATOM 24 CB GLN A 2 16.490 33.621 20.153 1.00 0.00 C ATOM 25 CG GLN A 2 17.820 34.110 20.740 1.00 0.00 C ATOM 26 CD GLN A 2 17.744 35.473 21.420 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.778 36.199 21.228 1.00 0.00 O ATOM 28 NE2 GLN A 2 18.807 35.783 22.171 1.00 0.00 N ATOM 0 H GLN A 2 14.499 32.271 19.647 1.00 0.00 H new ATOM 0 HA GLN A 2 17.253 32.348 18.524 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.094 34.395 19.496 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.775 33.497 20.967 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.176 33.376 21.463 1.00 0.00 H new ATOM 0 HG3 GLN A 2 18.561 34.156 19.942 1.00 0.00 H new ATOM 0 HE21 GLN A 2 19.570 35.114 22.276 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.855 36.688 22.639 1.00 0.00 H new ATOM 37 N ILE A 3 18.310 31.065 20.668 1.00 0.00 N ATOM 38 CA ILE A 3 19.027 30.315 21.670 1.00 0.00 C ATOM 39 C ILE A 3 20.259 31.147 22.060 1.00 0.00 C ATOM 40 O ILE A 3 20.674 32.138 21.463 1.00 0.00 O ATOM 41 CB ILE A 3 19.434 28.941 21.126 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.215 29.105 19.822 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.195 28.096 20.873 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.162 27.920 19.591 1.00 0.00 C ATOM 0 H ILE A 3 18.992 31.563 20.096 1.00 0.00 H new ATOM 0 HA ILE A 3 18.401 30.134 22.544 1.00 0.00 H new ATOM 0 HB ILE A 3 20.065 28.444 21.863 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.520 29.187 18.986 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.788 30.032 19.852 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.492 27.121 20.487 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.647 27.965 21.806 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.556 28.596 20.145 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.704 28.064 18.656 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.872 27.855 20.416 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.584 26.998 19.537 1.00 0.00 H new ATOM 56 N PHE A 4 20.866 30.771 23.182 1.00 0.00 N ATOM 57 CA PHE A 4 22.086 31.341 23.701 1.00 0.00 C ATOM 58 C PHE A 4 23.221 30.315 23.739 1.00 0.00 C ATOM 59 O PHE A 4 23.014 29.165 24.125 1.00 0.00 O ATOM 60 CB PHE A 4 21.780 31.841 25.117 1.00 0.00 C ATOM 61 CG PHE A 4 20.806 33.004 25.130 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.258 34.316 24.989 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.444 32.801 25.327 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.347 35.379 25.125 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.531 33.855 25.485 1.00 0.00 C ATOM 66 CZ PHE A 4 19.006 35.170 25.442 1.00 0.00 C ATOM 0 H PHE A 4 20.497 30.027 23.774 1.00 0.00 H new ATOM 0 HA PHE A 4 22.419 32.153 23.054 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.369 31.021 25.706 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.709 32.145 25.599 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.298 34.514 24.777 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.073 31.787 25.360 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.698 36.390 24.979 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.481 33.654 25.637 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.350 36.003 25.649 1.00 0.00 H new ATOM 76 N VAL A 5 24.477 30.698 23.542 1.00 0.00 N ATOM 77 CA VAL A 5 25.603 29.810 23.801 1.00 0.00 C ATOM 78 C VAL A 5 26.586 30.595 24.675 1.00 0.00 C ATOM 79 O VAL A 5 27.037 31.608 24.119 1.00 0.00 O ATOM 80 CB VAL A 5 26.124 29.357 22.446 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.368 28.474 22.505 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.027 28.624 21.674 1.00 0.00 C ATOM 0 H VAL A 5 24.742 31.623 23.202 1.00 0.00 H new ATOM 0 HA VAL A 5 25.369 28.899 24.352 1.00 0.00 H new ATOM 0 HB VAL A 5 26.420 30.273 21.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.668 28.199 21.494 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.179 29.019 22.988 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.147 27.572 23.075 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.414 28.305 20.706 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.704 27.751 22.241 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.179 29.292 21.524 1.00 0.00 H new ATOM 92 N LYS A 6 26.813 30.214 25.921 1.00 0.00 N ATOM 93 CA LYS A 6 27.670 30.900 26.875 1.00 0.00 C ATOM 94 C LYS A 6 29.113 30.405 26.738 1.00 0.00 C ATOM 95 O LYS A 6 29.271 29.204 26.588 1.00 0.00 O ATOM 96 CB LYS A 6 27.235 30.606 28.306 1.00 0.00 C ATOM 97 CG LYS A 6 27.697 31.690 29.275 1.00 0.00 C ATOM 98 CD LYS A 6 26.652 32.173 30.286 1.00 0.00 C ATOM 99 CE LYS A 6 27.212 33.305 31.145 1.00 0.00 C ATOM 100 NZ LYS A 6 28.295 33.089 32.123 1.00 0.00 N ATOM 0 H LYS A 6 26.384 29.377 26.314 1.00 0.00 H new ATOM 0 HA LYS A 6 27.597 31.967 26.666 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.149 30.523 28.345 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.640 29.643 28.618 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.560 31.315 29.825 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.037 32.548 28.695 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.761 32.516 29.760 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.346 31.344 30.924 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.560 34.077 30.458 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.371 33.725 31.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.521 33.988 32.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.989 32.393 32.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 29.140 32.734 31.632 1.00 0.00 H new ATOM 114 N THR A 7 30.075 31.309 26.910 1.00 0.00 N ATOM 115 CA THR A 7 31.450 30.981 26.612 1.00 0.00 C ATOM 116 C THR A 7 32.285 31.065 27.894 1.00 0.00 C ATOM 117 O THR A 7 31.924 31.785 28.820 1.00 0.00 O ATOM 118 CB THR A 7 31.876 31.916 25.494 1.00 0.00 C ATOM 119 OG1 THR A 7 31.565 33.291 25.573 1.00 0.00 O ATOM 120 CG2 THR A 7 31.193 31.446 24.207 1.00 0.00 C ATOM 0 H THR A 7 29.923 32.259 27.250 1.00 0.00 H new ATOM 0 HA THR A 7 31.594 29.959 26.263 1.00 0.00 H new ATOM 0 HB THR A 7 32.963 31.857 25.550 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.615 33.400 25.789 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.480 32.100 23.383 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.501 30.424 23.984 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.111 31.479 24.336 1.00 0.00 H new ATOM 128 N LEU A 8 33.459 30.439 28.038 1.00 0.00 N ATOM 129 CA LEU A 8 34.329 30.327 29.194 1.00 0.00 C ATOM 130 C LEU A 8 34.691 31.627 29.920 1.00 0.00 C ATOM 131 O LEU A 8 34.643 31.765 31.140 1.00 0.00 O ATOM 132 CB LEU A 8 35.647 29.666 28.775 1.00 0.00 C ATOM 133 CG LEU A 8 35.664 28.177 28.423 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.079 27.827 27.965 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.052 27.153 29.387 1.00 0.00 C ATOM 0 H LEU A 8 33.862 29.941 27.244 1.00 0.00 H new ATOM 0 HA LEU A 8 33.741 29.741 29.900 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.025 30.211 27.910 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.361 29.819 29.584 1.00 0.00 H new ATOM 0 HG LEU A 8 34.928 28.068 27.626 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.126 26.769 27.706 1.00 0.00 H new ATOM 0 HD12 LEU A 8 37.338 28.427 27.092 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.784 28.035 28.770 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.157 26.152 28.969 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.568 27.202 30.346 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.995 27.376 29.532 1.00 0.00 H new ATOM 147 N THR A 9 35.137 32.591 29.124 1.00 0.00 N ATOM 148 CA THR A 9 35.747 33.840 29.566 1.00 0.00 C ATOM 149 C THR A 9 35.178 34.946 28.684 1.00 0.00 C ATOM 150 O THR A 9 35.898 35.792 28.163 1.00 0.00 O ATOM 151 CB THR A 9 37.268 33.720 29.498 1.00 0.00 C ATOM 152 OG1 THR A 9 37.648 33.339 28.196 1.00 0.00 O ATOM 153 CG2 THR A 9 38.033 32.857 30.503 1.00 0.00 C ATOM 0 H THR A 9 35.081 32.521 28.108 1.00 0.00 H new ATOM 0 HA THR A 9 35.517 34.075 30.605 1.00 0.00 H new ATOM 0 HB THR A 9 37.569 34.725 29.794 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.624 33.263 28.149 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.100 32.904 30.285 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.852 33.227 31.512 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.693 31.824 30.429 1.00 0.00 H new ATOM 161 N GLY A 10 33.913 34.768 28.310 1.00 0.00 N ATOM 162 CA GLY A 10 33.234 35.613 27.340 1.00 0.00 C ATOM 163 C GLY A 10 31.852 36.134 27.750 1.00 0.00 C ATOM 164 O GLY A 10 31.679 36.815 28.763 1.00 0.00 O ATOM 0 H GLY A 10 33.325 34.021 28.680 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.873 36.469 27.124 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.128 35.052 26.411 1.00 0.00 H new ATOM 168 N LYS A 11 30.879 35.829 26.896 1.00 0.00 N ATOM 169 CA LYS A 11 29.547 36.392 26.867 1.00 0.00 C ATOM 170 C LYS A 11 28.497 35.314 26.602 1.00 0.00 C ATOM 171 O LYS A 11 28.858 34.145 26.620 1.00 0.00 O ATOM 172 CB LYS A 11 29.479 37.633 25.962 1.00 0.00 C ATOM 173 CG LYS A 11 29.834 37.450 24.485 1.00 0.00 C ATOM 174 CD LYS A 11 30.038 38.747 23.710 1.00 0.00 C ATOM 175 CE LYS A 11 30.648 38.368 22.357 1.00 0.00 C ATOM 176 NZ LYS A 11 30.534 39.491 21.415 1.00 0.00 N ATOM 0 H LYS A 11 31.017 35.136 26.161 1.00 0.00 H new ATOM 0 HA LYS A 11 29.294 36.775 27.856 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.467 38.035 26.018 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.146 38.389 26.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.745 36.855 24.416 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.042 36.877 24.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.090 39.268 23.574 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.698 39.422 24.255 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.696 38.097 22.486 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.140 37.492 21.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.174 39.335 20.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.555 39.557 21.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.792 40.376 21.897 1.00 0.00 H new ATOM 190 N THR A 12 27.250 35.683 26.300 1.00 0.00 N ATOM 191 CA THR A 12 26.367 34.894 25.447 1.00 0.00 C ATOM 192 C THR A 12 26.526 35.293 23.980 1.00 0.00 C ATOM 193 O THR A 12 26.277 36.446 23.631 1.00 0.00 O ATOM 194 CB THR A 12 24.909 34.871 25.890 1.00 0.00 C ATOM 195 OG1 THR A 12 24.467 36.169 26.224 1.00 0.00 O ATOM 196 CG2 THR A 12 24.521 33.926 27.022 1.00 0.00 C ATOM 0 H THR A 12 26.825 36.544 26.644 1.00 0.00 H new ATOM 0 HA THR A 12 26.693 33.860 25.558 1.00 0.00 H new ATOM 0 HB THR A 12 24.411 34.468 25.008 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.529 36.133 26.504 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.454 34.021 27.226 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.745 32.899 26.732 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.086 34.181 27.919 1.00 0.00 H new ATOM 204 N ILE A 13 26.920 34.339 23.139 1.00 0.00 N ATOM 205 CA ILE A 13 26.848 34.539 21.707 1.00 0.00 C ATOM 206 C ILE A 13 25.383 34.261 21.369 1.00 0.00 C ATOM 207 O ILE A 13 24.770 33.433 22.040 1.00 0.00 O ATOM 208 CB ILE A 13 27.790 33.574 20.975 1.00 0.00 C ATOM 209 CG1 ILE A 13 29.181 33.718 21.572 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.797 33.798 19.460 1.00 0.00 C ATOM 211 CD1 ILE A 13 30.071 32.729 20.823 1.00 0.00 C ATOM 0 H ILE A 13 27.287 33.432 23.427 1.00 0.00 H new ATOM 0 HA ILE A 13 27.158 35.538 21.401 1.00 0.00 H new ATOM 0 HB ILE A 13 27.432 32.554 21.115 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.550 34.737 21.458 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.171 33.501 22.640 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.480 33.090 18.991 1.00 0.00 H new ATOM 0 HG22 ILE A 13 26.792 33.649 19.066 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.125 34.815 19.244 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.088 32.788 21.211 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.688 31.718 20.961 1.00 0.00 H new ATOM 0 HD13 ILE A 13 30.073 32.974 19.761 1.00 0.00 H new ATOM 223 N THR A 14 24.783 34.983 20.428 1.00 0.00 N ATOM 224 CA THR A 14 23.363 35.010 20.135 1.00 0.00 C ATOM 225 C THR A 14 23.153 34.433 18.738 1.00 0.00 C ATOM 226 O THR A 14 23.812 34.990 17.865 1.00 0.00 O ATOM 227 CB THR A 14 22.638 36.326 20.404 1.00 0.00 C ATOM 228 OG1 THR A 14 23.155 37.404 19.661 1.00 0.00 O ATOM 229 CG2 THR A 14 22.903 36.724 21.854 1.00 0.00 C ATOM 0 H THR A 14 25.313 35.602 19.814 1.00 0.00 H new ATOM 0 HA THR A 14 22.863 34.376 20.867 1.00 0.00 H new ATOM 0 HB THR A 14 21.591 36.157 20.151 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.652 38.218 19.872 1.00 0.00 H new ATOM 0 HG21 THR A 14 22.395 37.663 22.072 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.529 35.946 22.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 23.975 36.847 22.007 1.00 0.00 H new ATOM 237 N LEU A 15 22.371 33.384 18.514 1.00 0.00 N ATOM 238 CA LEU A 15 22.054 32.889 17.192 1.00 0.00 C ATOM 239 C LEU A 15 20.521 32.782 17.167 1.00 0.00 C ATOM 240 O LEU A 15 19.920 32.157 18.036 1.00 0.00 O ATOM 241 CB LEU A 15 22.576 31.503 16.800 1.00 0.00 C ATOM 242 CG LEU A 15 24.047 31.185 17.026 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.035 32.162 16.389 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.439 30.965 18.495 1.00 0.00 C ATOM 0 H LEU A 15 21.934 32.848 19.264 1.00 0.00 H new ATOM 0 HA LEU A 15 22.530 33.577 16.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.990 30.763 17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.366 31.358 15.740 1.00 0.00 H new ATOM 0 HG LEU A 15 24.135 30.235 16.499 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.054 31.845 16.610 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.886 32.178 15.309 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.870 33.161 16.793 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.505 30.744 18.558 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.220 31.866 19.069 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.871 30.129 18.902 1.00 0.00 H new ATOM 256 N GLU A 16 19.948 33.273 16.075 1.00 0.00 N ATOM 257 CA GLU A 16 18.552 33.158 15.742 1.00 0.00 C ATOM 258 C GLU A 16 18.626 32.066 14.668 1.00 0.00 C ATOM 259 O GLU A 16 19.333 32.233 13.669 1.00 0.00 O ATOM 260 CB GLU A 16 18.084 34.522 15.218 1.00 0.00 C ATOM 261 CG GLU A 16 16.689 34.862 15.746 1.00 0.00 C ATOM 262 CD GLU A 16 16.083 36.235 15.528 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.726 37.162 14.983 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.874 36.484 15.739 1.00 0.00 O ATOM 0 H GLU A 16 20.478 33.785 15.370 1.00 0.00 H new ATOM 0 HA GLU A 16 17.852 32.906 16.538 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.790 35.294 15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.072 34.512 14.128 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.999 34.137 15.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.704 34.687 16.822 1.00 0.00 H new ATOM 271 N VAL A 17 17.968 30.949 14.932 1.00 0.00 N ATOM 272 CA VAL A 17 18.024 29.655 14.279 1.00 0.00 C ATOM 273 C VAL A 17 16.582 29.213 14.009 1.00 0.00 C ATOM 274 O VAL A 17 15.587 29.597 14.619 1.00 0.00 O ATOM 275 CB VAL A 17 18.635 28.582 15.189 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.145 28.774 15.198 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.066 28.270 16.569 1.00 0.00 C ATOM 0 H VAL A 17 17.301 30.928 15.704 1.00 0.00 H new ATOM 0 HA VAL A 17 18.628 29.755 13.377 1.00 0.00 H new ATOM 0 HB VAL A 17 18.306 27.657 14.716 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.604 28.021 15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.531 28.670 14.184 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.383 29.768 15.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.654 27.479 17.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.106 29.165 17.190 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.031 27.943 16.470 1.00 0.00 H new ATOM 287 N GLU A 18 16.441 28.448 12.929 1.00 0.00 N ATOM 288 CA GLU A 18 15.176 27.875 12.524 1.00 0.00 C ATOM 289 C GLU A 18 14.902 26.730 13.501 1.00 0.00 C ATOM 290 O GLU A 18 15.856 26.007 13.777 1.00 0.00 O ATOM 291 CB GLU A 18 15.305 27.481 11.050 1.00 0.00 C ATOM 292 CG GLU A 18 14.163 26.839 10.266 1.00 0.00 C ATOM 293 CD GLU A 18 12.925 27.650 9.906 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.930 28.877 10.142 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.952 27.002 9.457 1.00 0.00 O ATOM 0 H GLU A 18 17.215 28.211 12.309 1.00 0.00 H new ATOM 0 HA GLU A 18 14.318 28.546 12.572 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.583 28.386 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.151 26.797 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.584 26.462 9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.827 25.973 10.837 1.00 0.00 H new ATOM 302 N PRO A 19 13.695 26.528 14.026 1.00 0.00 N ATOM 303 CA PRO A 19 13.502 25.486 15.004 1.00 0.00 C ATOM 304 C PRO A 19 13.770 24.050 14.519 1.00 0.00 C ATOM 305 O PRO A 19 13.743 23.176 15.388 1.00 0.00 O ATOM 306 CB PRO A 19 12.113 25.728 15.594 1.00 0.00 C ATOM 307 CG PRO A 19 11.355 26.428 14.464 1.00 0.00 C ATOM 308 CD PRO A 19 12.451 27.208 13.735 1.00 0.00 C ATOM 0 HA PRO A 19 14.267 25.552 15.777 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.631 24.793 15.880 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.161 26.349 16.489 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.865 25.712 13.805 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.579 27.089 14.850 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.263 27.232 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.484 28.243 14.076 1.00 0.00 H new ATOM 316 N SER A 20 14.049 23.811 13.241 1.00 0.00 N ATOM 317 CA SER A 20 14.515 22.564 12.668 1.00 0.00 C ATOM 318 C SER A 20 15.901 22.473 12.039 1.00 0.00 C ATOM 319 O SER A 20 16.093 21.507 11.305 1.00 0.00 O ATOM 320 CB SER A 20 13.336 22.142 11.771 1.00 0.00 C ATOM 321 OG SER A 20 13.150 23.042 10.708 1.00 0.00 O ATOM 0 H SER A 20 13.946 24.539 12.533 1.00 0.00 H new ATOM 0 HA SER A 20 14.752 21.862 13.467 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.518 21.143 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.425 22.088 12.367 1.00 0.00 H new ATOM 0 HG SER A 20 12.396 22.746 10.157 1.00 0.00 H new ATOM 327 N ASP A 21 16.808 23.359 12.441 1.00 0.00 N ATOM 328 CA ASP A 21 18.210 23.373 12.063 1.00 0.00 C ATOM 329 C ASP A 21 19.109 22.424 12.844 1.00 0.00 C ATOM 330 O ASP A 21 18.732 21.963 13.922 1.00 0.00 O ATOM 331 CB ASP A 21 18.649 24.831 12.134 1.00 0.00 C ATOM 332 CG ASP A 21 19.990 25.130 11.475 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.564 24.253 10.791 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.472 26.251 11.745 1.00 0.00 O ATOM 0 H ASP A 21 16.568 24.124 13.071 1.00 0.00 H new ATOM 0 HA ASP A 21 18.317 22.975 11.054 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.884 25.449 11.664 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.701 25.129 13.181 1.00 0.00 H new ATOM 339 N THR A 22 20.283 22.111 12.299 1.00 0.00 N ATOM 340 CA THR A 22 21.212 21.040 12.573 1.00 0.00 C ATOM 341 C THR A 22 22.365 21.637 13.402 1.00 0.00 C ATOM 342 O THR A 22 22.857 22.707 13.067 1.00 0.00 O ATOM 343 CB THR A 22 21.630 20.389 11.255 1.00 0.00 C ATOM 344 OG1 THR A 22 22.511 21.162 10.461 1.00 0.00 O ATOM 345 CG2 THR A 22 20.516 19.809 10.384 1.00 0.00 C ATOM 0 H THR A 22 20.646 22.696 11.546 1.00 0.00 H new ATOM 0 HA THR A 22 20.777 20.233 13.163 1.00 0.00 H new ATOM 0 HB THR A 22 22.180 19.532 11.643 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.727 20.672 9.641 1.00 0.00 H new ATOM 0 HG21 THR A 22 20.947 19.378 9.480 1.00 0.00 H new ATOM 0 HG22 THR A 22 19.987 19.034 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 22 19.818 20.601 10.111 1.00 0.00 H new ATOM 353 N ILE A 23 22.884 20.919 14.401 1.00 0.00 N ATOM 354 CA ILE A 23 23.962 21.334 15.269 1.00 0.00 C ATOM 355 C ILE A 23 25.160 21.909 14.503 1.00 0.00 C ATOM 356 O ILE A 23 25.602 22.995 14.837 1.00 0.00 O ATOM 357 CB ILE A 23 24.349 20.140 16.140 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.268 19.925 17.206 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.773 20.204 16.668 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.487 18.690 18.088 1.00 0.00 C ATOM 0 H ILE A 23 22.538 19.987 14.629 1.00 0.00 H new ATOM 0 HA ILE A 23 23.620 22.157 15.897 1.00 0.00 H new ATOM 0 HB ILE A 23 24.377 19.244 15.520 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.222 20.808 17.843 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.300 19.837 16.712 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.975 19.323 17.277 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.470 20.234 15.831 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.896 21.101 17.275 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.678 18.613 18.814 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.502 17.796 17.465 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.438 18.782 18.613 1.00 0.00 H new ATOM 372 N GLU A 24 25.656 21.285 13.443 1.00 0.00 N ATOM 373 CA GLU A 24 26.856 21.690 12.740 1.00 0.00 C ATOM 374 C GLU A 24 26.690 23.046 12.058 1.00 0.00 C ATOM 375 O GLU A 24 27.579 23.907 12.024 1.00 0.00 O ATOM 376 CB GLU A 24 27.030 20.642 11.639 1.00 0.00 C ATOM 377 CG GLU A 24 28.248 20.862 10.749 1.00 0.00 C ATOM 378 CD GLU A 24 28.445 19.839 9.639 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.467 19.766 8.860 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.502 19.172 9.617 1.00 0.00 O ATOM 0 H GLU A 24 25.217 20.457 13.040 1.00 0.00 H new ATOM 0 HA GLU A 24 27.694 21.768 13.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.105 19.657 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.136 20.635 11.016 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.172 21.851 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.139 20.866 11.377 1.00 0.00 H new ATOM 387 N ASN A 25 25.499 23.266 11.505 1.00 0.00 N ATOM 388 CA ASN A 25 25.094 24.422 10.736 1.00 0.00 C ATOM 389 C ASN A 25 24.917 25.641 11.641 1.00 0.00 C ATOM 390 O ASN A 25 24.873 26.788 11.216 1.00 0.00 O ATOM 391 CB ASN A 25 23.782 24.053 10.036 1.00 0.00 C ATOM 392 CG ASN A 25 23.370 25.095 9.004 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.217 25.660 8.305 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.077 25.360 8.849 1.00 0.00 N ATOM 0 H ASN A 25 24.743 22.587 11.594 1.00 0.00 H new ATOM 0 HA ASN A 25 25.855 24.689 10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.892 23.084 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.992 23.948 10.780 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.776 26.036 8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.386 24.887 9.432 1.00 0.00 H new ATOM 401 N VAL A 26 24.893 25.410 12.954 1.00 0.00 N ATOM 402 CA VAL A 26 24.811 26.501 13.906 1.00 0.00 C ATOM 403 C VAL A 26 26.241 26.741 14.410 1.00 0.00 C ATOM 404 O VAL A 26 26.423 27.930 14.643 1.00 0.00 O ATOM 405 CB VAL A 26 24.023 26.126 15.155 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.823 27.330 16.078 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.592 25.732 14.804 1.00 0.00 C ATOM 0 H VAL A 26 24.929 24.481 13.374 1.00 0.00 H new ATOM 0 HA VAL A 26 24.337 27.349 13.411 1.00 0.00 H new ATOM 0 HB VAL A 26 24.595 25.322 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.257 27.024 16.958 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.794 27.716 16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.275 28.108 15.547 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.053 25.469 15.714 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.093 26.569 14.316 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.605 24.875 14.130 1.00 0.00 H new ATOM 417 N LYS A 27 27.129 25.755 14.425 1.00 0.00 N ATOM 418 CA LYS A 27 28.532 26.032 14.683 1.00 0.00 C ATOM 419 C LYS A 27 29.058 27.052 13.667 1.00 0.00 C ATOM 420 O LYS A 27 29.909 27.832 14.085 1.00 0.00 O ATOM 421 CB LYS A 27 29.357 24.739 14.668 1.00 0.00 C ATOM 422 CG LYS A 27 29.006 23.727 15.759 1.00 0.00 C ATOM 423 CD LYS A 27 30.112 22.683 15.919 1.00 0.00 C ATOM 424 CE LYS A 27 30.150 21.778 17.148 1.00 0.00 C ATOM 425 NZ LYS A 27 31.332 20.910 17.053 1.00 0.00 N ATOM 0 H LYS A 27 26.906 24.773 14.264 1.00 0.00 H new ATOM 0 HA LYS A 27 28.631 26.463 15.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.233 24.259 13.697 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.411 24.999 14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.852 24.246 16.705 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.067 23.232 15.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.072 22.035 15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.063 23.213 15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.192 22.377 18.058 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.242 21.177 17.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.037 19.914 17.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.813 21.076 16.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.984 21.125 17.834 1.00 0.00 H new ATOM 439 N ALA A 28 28.719 26.926 12.385 1.00 0.00 N ATOM 440 CA ALA A 28 28.978 27.787 11.251 1.00 0.00 C ATOM 441 C ALA A 28 28.460 29.214 11.482 1.00 0.00 C ATOM 442 O ALA A 28 29.171 30.196 11.307 1.00 0.00 O ATOM 443 CB ALA A 28 28.283 27.234 10.008 1.00 0.00 C ATOM 0 H ALA A 28 28.187 26.108 12.089 1.00 0.00 H new ATOM 0 HA ALA A 28 30.059 27.818 11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.482 27.887 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.662 26.235 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.208 27.185 10.183 1.00 0.00 H new ATOM 449 N LYS A 29 27.266 29.318 12.048 1.00 0.00 N ATOM 450 CA LYS A 29 26.729 30.573 12.552 1.00 0.00 C ATOM 451 C LYS A 29 27.439 31.259 13.724 1.00 0.00 C ATOM 452 O LYS A 29 27.471 32.482 13.810 1.00 0.00 O ATOM 453 CB LYS A 29 25.269 30.467 12.996 1.00 0.00 C ATOM 454 CG LYS A 29 24.361 30.022 11.847 1.00 0.00 C ATOM 455 CD LYS A 29 22.921 29.999 12.368 1.00 0.00 C ATOM 456 CE LYS A 29 22.049 29.462 11.234 1.00 0.00 C ATOM 457 NZ LYS A 29 22.170 28.081 10.722 1.00 0.00 N ATOM 0 H LYS A 29 26.637 28.525 12.171 1.00 0.00 H new ATOM 0 HA LYS A 29 26.882 31.182 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.189 29.757 13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.932 31.432 13.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.451 30.706 11.003 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.653 29.035 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.840 29.365 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.600 30.998 12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.014 29.587 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.203 30.124 10.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.028 28.079 9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.117 27.711 10.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.451 27.480 11.172 1.00 0.00 H new ATOM 471 N ILE A 30 27.959 30.431 14.623 1.00 0.00 N ATOM 472 CA ILE A 30 28.793 30.904 15.712 1.00 0.00 C ATOM 473 C ILE A 30 30.162 31.309 15.137 1.00 0.00 C ATOM 474 O ILE A 30 30.746 32.284 15.599 1.00 0.00 O ATOM 475 CB ILE A 30 29.050 29.814 16.753 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.710 29.431 17.381 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.151 30.082 17.790 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.964 28.361 18.430 1.00 0.00 C ATOM 0 H ILE A 30 27.814 29.421 14.615 1.00 0.00 H new ATOM 0 HA ILE A 30 28.275 31.737 16.188 1.00 0.00 H new ATOM 0 HB ILE A 30 29.484 28.970 16.216 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.240 30.304 17.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.025 29.060 16.618 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.229 29.231 18.466 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.103 30.228 17.280 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.903 30.977 18.360 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.020 28.073 18.892 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.418 27.490 17.958 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.636 28.752 19.193 1.00 0.00 H new ATOM 490 N GLN A 31 30.675 30.759 14.044 1.00 0.00 N ATOM 491 CA GLN A 31 31.803 31.235 13.285 1.00 0.00 C ATOM 492 C GLN A 31 31.567 32.559 12.550 1.00 0.00 C ATOM 493 O GLN A 31 32.253 33.521 12.898 1.00 0.00 O ATOM 494 CB GLN A 31 32.200 30.146 12.285 1.00 0.00 C ATOM 495 CG GLN A 31 33.686 30.007 11.928 1.00 0.00 C ATOM 496 CD GLN A 31 34.228 30.966 10.875 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.412 31.287 10.928 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.469 31.622 9.998 1.00 0.00 N ATOM 0 H GLN A 31 30.279 29.908 13.644 1.00 0.00 H new ATOM 0 HA GLN A 31 32.600 31.444 13.998 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.860 29.189 12.680 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.649 30.323 11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.269 30.138 12.840 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.859 28.988 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.478 31.396 9.912 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.879 32.350 9.413 1.00 0.00 H new ATOM 507 N ASP A 32 30.513 32.703 11.750 1.00 0.00 N ATOM 508 CA ASP A 32 30.143 33.924 11.058 1.00 0.00 C ATOM 509 C ASP A 32 29.917 35.170 11.918 1.00 0.00 C ATOM 510 O ASP A 32 30.336 36.247 11.506 1.00 0.00 O ATOM 511 CB ASP A 32 28.971 33.585 10.138 1.00 0.00 C ATOM 512 CG ASP A 32 28.054 34.695 9.651 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.398 35.306 8.622 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.963 34.877 10.235 1.00 0.00 O ATOM 0 H ASP A 32 29.869 31.935 11.562 1.00 0.00 H new ATOM 0 HA ASP A 32 31.010 34.251 10.484 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.380 33.090 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.351 32.853 10.656 1.00 0.00 H new ATOM 519 N LYS A 33 29.470 35.055 13.164 1.00 0.00 N ATOM 520 CA LYS A 33 29.117 36.222 13.949 1.00 0.00 C ATOM 521 C LYS A 33 30.204 36.607 14.953 1.00 0.00 C ATOM 522 O LYS A 33 30.424 37.794 15.168 1.00 0.00 O ATOM 523 CB LYS A 33 27.782 35.830 14.587 1.00 0.00 C ATOM 524 CG LYS A 33 27.083 37.006 15.261 1.00 0.00 C ATOM 525 CD LYS A 33 25.683 36.627 15.736 1.00 0.00 C ATOM 526 CE LYS A 33 24.789 37.815 16.100 1.00 0.00 C ATOM 527 NZ LYS A 33 23.573 37.396 16.808 1.00 0.00 N ATOM 0 H LYS A 33 29.345 34.165 13.647 1.00 0.00 H new ATOM 0 HA LYS A 33 29.025 37.129 13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.127 35.414 13.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.953 35.044 15.323 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.677 37.346 16.110 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.018 37.841 14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.193 36.047 14.954 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.773 35.977 16.606 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.349 38.512 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.513 38.351 15.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.740 37.802 16.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.505 36.358 16.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.612 37.731 17.792 1.00 0.00 H new ATOM 541 N GLU A 34 30.905 35.601 15.475 1.00 0.00 N ATOM 542 CA GLU A 34 31.879 35.797 16.528 1.00 0.00 C ATOM 543 C GLU A 34 33.280 35.257 16.220 1.00 0.00 C ATOM 544 O GLU A 34 34.246 35.698 16.830 1.00 0.00 O ATOM 545 CB GLU A 34 31.457 35.442 17.953 1.00 0.00 C ATOM 546 CG GLU A 34 30.315 36.264 18.550 1.00 0.00 C ATOM 547 CD GLU A 34 30.472 37.750 18.834 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.566 38.179 19.264 1.00 0.00 O ATOM 549 OE2 GLU A 34 29.514 38.538 18.901 1.00 0.00 O ATOM 0 H GLU A 34 30.808 34.631 15.175 1.00 0.00 H new ATOM 0 HA GLU A 34 31.932 36.886 16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.167 34.391 17.971 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.327 35.544 18.602 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.463 36.158 17.879 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.040 35.788 19.491 1.00 0.00 H new ATOM 556 N GLY A 35 33.511 34.348 15.274 1.00 0.00 N ATOM 557 CA GLY A 35 34.818 33.960 14.812 1.00 0.00 C ATOM 558 C GLY A 35 35.344 32.632 15.351 1.00 0.00 C ATOM 559 O GLY A 35 36.511 32.296 15.099 1.00 0.00 O ATOM 0 H GLY A 35 32.758 33.851 14.799 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.797 33.906 13.724 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.525 34.745 15.079 1.00 0.00 H new ATOM 563 N ILE A 36 34.626 31.849 16.152 1.00 0.00 N ATOM 564 CA ILE A 36 35.060 30.568 16.663 1.00 0.00 C ATOM 565 C ILE A 36 34.925 29.494 15.570 1.00 0.00 C ATOM 566 O ILE A 36 33.776 29.273 15.198 1.00 0.00 O ATOM 567 CB ILE A 36 34.200 30.244 17.880 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.089 31.366 18.917 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.847 29.086 18.639 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.120 31.082 20.071 1.00 0.00 C ATOM 0 H ILE A 36 33.692 32.106 16.470 1.00 0.00 H new ATOM 0 HA ILE A 36 36.109 30.595 16.956 1.00 0.00 H new ATOM 0 HB ILE A 36 33.209 30.041 17.473 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.079 31.558 19.331 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.773 32.279 18.412 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.244 28.842 19.513 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.911 28.215 17.987 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.848 29.375 18.958 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.108 31.932 20.754 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.118 30.922 19.674 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.444 30.190 20.607 1.00 0.00 H new ATOM 582 N PRO A 37 35.962 28.793 15.135 1.00 0.00 N ATOM 583 CA PRO A 37 35.710 27.655 14.281 1.00 0.00 C ATOM 584 C PRO A 37 34.961 26.467 14.873 1.00 0.00 C ATOM 585 O PRO A 37 34.892 26.279 16.087 1.00 0.00 O ATOM 586 CB PRO A 37 37.122 27.352 13.766 1.00 0.00 C ATOM 587 CG PRO A 37 38.110 27.850 14.819 1.00 0.00 C ATOM 588 CD PRO A 37 37.365 29.012 15.462 1.00 0.00 C ATOM 0 HA PRO A 37 34.981 27.884 13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.248 26.282 13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.297 27.848 12.811 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.352 27.074 15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.050 28.171 14.371 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.520 29.030 16.541 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.716 29.968 15.073 1.00 0.00 H new ATOM 596 N PRO A 38 34.354 25.615 14.050 1.00 0.00 N ATOM 597 CA PRO A 38 33.442 24.580 14.471 1.00 0.00 C ATOM 598 C PRO A 38 34.118 23.334 15.050 1.00 0.00 C ATOM 599 O PRO A 38 33.562 22.744 15.966 1.00 0.00 O ATOM 600 CB PRO A 38 32.584 24.287 13.241 1.00 0.00 C ATOM 601 CG PRO A 38 33.580 24.527 12.108 1.00 0.00 C ATOM 602 CD PRO A 38 34.382 25.735 12.606 1.00 0.00 C ATOM 0 HA PRO A 38 32.841 24.918 15.315 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.202 23.266 13.242 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.721 24.950 13.176 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.218 23.659 11.941 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.076 24.738 11.165 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.403 25.718 12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.934 26.673 12.276 1.00 0.00 H new ATOM 610 N ASP A 39 35.405 23.148 14.742 1.00 0.00 N ATOM 611 CA ASP A 39 36.151 22.065 15.336 1.00 0.00 C ATOM 612 C ASP A 39 36.727 22.300 16.738 1.00 0.00 C ATOM 613 O ASP A 39 37.041 21.345 17.450 1.00 0.00 O ATOM 614 CB ASP A 39 37.348 21.732 14.437 1.00 0.00 C ATOM 615 CG ASP A 39 38.316 22.878 14.217 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.880 23.996 13.891 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.544 22.681 14.387 1.00 0.00 O ATOM 0 H ASP A 39 35.934 23.730 14.093 1.00 0.00 H new ATOM 0 HA ASP A 39 35.411 21.270 15.433 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.892 20.895 14.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.975 21.399 13.468 1.00 0.00 H new ATOM 622 N GLN A 40 36.694 23.562 17.153 1.00 0.00 N ATOM 623 CA GLN A 40 37.028 23.929 18.508 1.00 0.00 C ATOM 624 C GLN A 40 35.875 23.585 19.462 1.00 0.00 C ATOM 625 O GLN A 40 36.122 23.245 20.616 1.00 0.00 O ATOM 626 CB GLN A 40 37.439 25.404 18.614 1.00 0.00 C ATOM 627 CG GLN A 40 38.807 25.733 18.007 1.00 0.00 C ATOM 628 CD GLN A 40 39.061 27.212 18.291 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.468 27.841 19.176 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.015 27.803 17.577 1.00 0.00 N ATOM 0 H GLN A 40 36.436 24.349 16.557 1.00 0.00 H new ATOM 0 HA GLN A 40 37.896 23.343 18.810 1.00 0.00 H new ATOM 0 HB2 GLN A 40 36.682 26.014 18.121 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.445 25.691 19.666 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.587 25.113 18.449 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.813 25.537 16.935 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.503 27.283 16.848 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.259 28.777 17.759 1.00 0.00 H new ATOM 639 N GLN A 41 34.699 23.915 18.943 1.00 0.00 N ATOM 640 CA GLN A 41 33.489 24.193 19.696 1.00 0.00 C ATOM 641 C GLN A 41 32.932 22.860 20.202 1.00 0.00 C ATOM 642 O GLN A 41 32.487 22.050 19.391 1.00 0.00 O ATOM 643 CB GLN A 41 32.414 24.842 18.817 1.00 0.00 C ATOM 644 CG GLN A 41 32.662 26.290 18.404 1.00 0.00 C ATOM 645 CD GLN A 41 31.665 26.792 17.361 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.515 26.379 17.488 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.034 27.642 16.401 1.00 0.00 N ATOM 0 H GLN A 41 34.560 23.999 17.936 1.00 0.00 H new ATOM 0 HA GLN A 41 33.737 24.875 20.509 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.303 24.243 17.913 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.464 24.796 19.349 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.609 26.928 19.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.673 26.381 18.006 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.003 27.954 16.341 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.347 27.980 15.727 1.00 0.00 H new ATOM 656 N ARG A 42 33.034 22.722 21.517 1.00 0.00 N ATOM 657 CA ARG A 42 32.473 21.613 22.264 1.00 0.00 C ATOM 658 C ARG A 42 31.325 22.317 22.981 1.00 0.00 C ATOM 659 O ARG A 42 31.562 23.162 23.843 1.00 0.00 O ATOM 660 CB ARG A 42 33.546 20.995 23.161 1.00 0.00 C ATOM 661 CG ARG A 42 34.758 20.487 22.374 1.00 0.00 C ATOM 662 CD ARG A 42 35.818 19.714 23.160 1.00 0.00 C ATOM 663 NE ARG A 42 36.643 20.609 23.971 1.00 0.00 N ATOM 664 CZ ARG A 42 37.780 20.459 24.671 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.482 19.322 24.518 1.00 0.00 N ATOM 666 NH2 ARG A 42 38.073 21.432 25.536 1.00 0.00 N ATOM 0 H ARG A 42 33.522 23.397 22.105 1.00 0.00 H new ATOM 0 HA ARG A 42 32.121 20.752 21.697 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.876 21.737 23.889 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.111 20.168 23.723 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.396 19.845 21.571 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.241 21.344 21.905 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.332 18.981 23.805 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.452 19.159 22.469 1.00 0.00 H new ATOM 0 HE ARG A 42 36.273 21.558 24.015 1.00 0.00 H new ATOM 0 HH11 ARG A 42 38.148 18.598 23.882 1.00 0.00 H new ATOM 0 HH12 ARG A 42 39.349 19.184 25.038 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.447 22.231 25.636 1.00 0.00 H new ATOM 0 HH22 ARG A 42 38.923 21.376 26.097 1.00 0.00 H new ATOM 680 N LEU A 43 30.109 21.954 22.590 1.00 0.00 N ATOM 681 CA LEU A 43 28.882 22.540 23.091 1.00 0.00 C ATOM 682 C LEU A 43 28.331 21.590 24.156 1.00 0.00 C ATOM 683 O LEU A 43 28.155 20.394 23.943 1.00 0.00 O ATOM 684 CB LEU A 43 27.901 22.655 21.918 1.00 0.00 C ATOM 685 CG LEU A 43 28.288 23.588 20.768 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.678 23.164 19.438 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.019 25.069 21.031 1.00 0.00 C ATOM 0 H LEU A 43 29.950 21.223 21.896 1.00 0.00 H new ATOM 0 HA LEU A 43 29.041 23.528 23.522 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.749 21.657 21.506 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.941 22.987 22.313 1.00 0.00 H new ATOM 0 HG LEU A 43 29.371 23.482 20.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.985 23.861 18.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.020 22.161 19.184 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.591 23.167 19.519 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.324 25.654 20.163 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.955 25.219 21.214 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.586 25.392 21.904 1.00 0.00 H new ATOM 699 N ILE A 44 28.084 22.040 25.379 1.00 0.00 N ATOM 700 CA ILE A 44 27.646 21.291 26.538 1.00 0.00 C ATOM 701 C ILE A 44 26.406 21.875 27.197 1.00 0.00 C ATOM 702 O ILE A 44 26.170 23.081 27.251 1.00 0.00 O ATOM 703 CB ILE A 44 28.783 20.707 27.386 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.560 20.014 28.739 1.00 0.00 C ATOM 705 CG2 ILE A 44 30.056 21.553 27.395 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.378 20.934 29.940 1.00 0.00 C ATOM 0 H ILE A 44 28.197 23.029 25.599 1.00 0.00 H new ATOM 0 HA ILE A 44 27.230 20.342 26.200 1.00 0.00 H new ATOM 0 HB ILE A 44 28.882 19.814 26.769 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.679 19.377 28.658 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.409 19.359 28.934 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.809 21.070 28.017 1.00 0.00 H new ATOM 0 HG22 ILE A 44 30.434 21.652 26.378 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.833 22.541 27.797 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.229 20.335 30.838 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.266 21.554 30.061 1.00 0.00 H new ATOM 0 HD13 ILE A 44 27.509 21.572 29.781 1.00 0.00 H new ATOM 718 N PHE A 45 25.513 20.965 27.558 1.00 0.00 N ATOM 719 CA PHE A 45 24.134 21.245 27.925 1.00 0.00 C ATOM 720 C PHE A 45 23.665 20.209 28.941 1.00 0.00 C ATOM 721 O PHE A 45 23.464 19.039 28.607 1.00 0.00 O ATOM 722 CB PHE A 45 23.405 21.421 26.586 1.00 0.00 C ATOM 723 CG PHE A 45 21.999 21.972 26.502 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.615 23.215 27.016 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.024 21.168 25.898 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.279 23.645 27.014 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.699 21.598 25.853 1.00 0.00 C ATOM 728 CZ PHE A 45 19.351 22.867 26.325 1.00 0.00 C ATOM 0 H PHE A 45 25.739 19.972 27.605 1.00 0.00 H new ATOM 0 HA PHE A 45 23.933 22.161 28.480 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.032 22.066 25.970 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.387 20.442 26.107 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.372 23.866 27.428 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.299 20.216 25.468 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.981 24.547 27.528 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.937 20.947 25.451 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.355 23.247 26.154 1.00 0.00 H new ATOM 738 N ALA A 46 23.491 20.577 30.211 1.00 0.00 N ATOM 739 CA ALA A 46 22.794 19.890 31.274 1.00 0.00 C ATOM 740 C ALA A 46 23.469 18.607 31.774 1.00 0.00 C ATOM 741 O ALA A 46 22.914 17.601 32.217 1.00 0.00 O ATOM 742 CB ALA A 46 21.318 19.643 30.965 1.00 0.00 C ATOM 0 H ALA A 46 23.880 21.459 30.545 1.00 0.00 H new ATOM 0 HA ALA A 46 22.853 20.597 32.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.853 19.124 31.803 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.815 20.597 30.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.232 19.032 30.067 1.00 0.00 H new ATOM 748 N GLY A 47 24.772 18.565 31.538 1.00 0.00 N ATOM 749 CA GLY A 47 25.857 17.648 31.820 1.00 0.00 C ATOM 750 C GLY A 47 26.263 16.854 30.575 1.00 0.00 C ATOM 751 O GLY A 47 27.277 16.164 30.524 1.00 0.00 O ATOM 0 H GLY A 47 25.166 19.357 31.030 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.717 18.205 32.193 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.556 16.959 32.609 1.00 0.00 H new ATOM 755 N LYS A 48 25.368 16.838 29.585 1.00 0.00 N ATOM 756 CA LYS A 48 25.364 16.175 28.299 1.00 0.00 C ATOM 757 C LYS A 48 26.210 17.011 27.339 1.00 0.00 C ATOM 758 O LYS A 48 25.938 18.185 27.085 1.00 0.00 O ATOM 759 CB LYS A 48 23.957 15.869 27.787 1.00 0.00 C ATOM 760 CG LYS A 48 23.007 15.196 28.779 1.00 0.00 C ATOM 761 CD LYS A 48 21.710 14.901 28.036 1.00 0.00 C ATOM 762 CE LYS A 48 20.612 14.087 28.728 1.00 0.00 C ATOM 763 NZ LYS A 48 19.599 15.008 29.254 1.00 0.00 N ATOM 0 H LYS A 48 24.506 17.373 29.696 1.00 0.00 H new ATOM 0 HA LYS A 48 25.812 15.186 28.390 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.502 16.803 27.457 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.044 15.229 26.909 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.445 14.276 29.167 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.821 15.846 29.634 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.274 15.858 27.747 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.972 14.379 27.116 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.158 13.390 28.023 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.037 13.492 29.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.848 14.465 29.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.040 15.656 29.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.189 15.557 28.472 1.00 0.00 H new ATOM 777 N GLN A 49 27.261 16.389 26.818 1.00 0.00 N ATOM 778 CA GLN A 49 27.977 16.760 25.616 1.00 0.00 C ATOM 779 C GLN A 49 27.227 16.468 24.310 1.00 0.00 C ATOM 780 O GLN A 49 26.758 15.341 24.214 1.00 0.00 O ATOM 781 CB GLN A 49 29.279 15.954 25.683 1.00 0.00 C ATOM 782 CG GLN A 49 30.227 16.664 26.645 1.00 0.00 C ATOM 783 CD GLN A 49 31.231 17.281 25.689 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.925 18.306 25.070 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.463 16.779 25.630 1.00 0.00 N ATOM 0 H GLN A 49 27.657 15.558 27.257 1.00 0.00 H new ATOM 0 HA GLN A 49 28.126 17.839 25.591 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.081 14.938 26.025 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.729 15.875 24.694 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.715 17.418 27.243 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.698 15.971 27.342 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.694 15.932 26.149 1.00 0.00 H new ATOM 0 HE22 GLN A 49 33.176 17.242 25.066 1.00 0.00 H new ATOM 794 N LEU A 50 27.127 17.398 23.369 1.00 0.00 N ATOM 795 CA LEU A 50 26.148 17.263 22.310 1.00 0.00 C ATOM 796 C LEU A 50 26.916 16.990 21.013 1.00 0.00 C ATOM 797 O LEU A 50 27.953 17.554 20.654 1.00 0.00 O ATOM 798 CB LEU A 50 25.573 18.648 22.012 1.00 0.00 C ATOM 799 CG LEU A 50 24.708 19.325 23.084 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.078 20.617 22.562 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.636 18.441 23.727 1.00 0.00 C ATOM 0 H LEU A 50 27.703 18.238 23.320 1.00 0.00 H new ATOM 0 HA LEU A 50 25.413 16.510 22.595 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.407 19.313 21.790 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.976 18.571 21.103 1.00 0.00 H new ATOM 0 HG LEU A 50 25.415 19.549 23.883 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.472 21.070 23.347 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.864 21.311 22.265 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.448 20.393 21.702 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.085 19.019 24.469 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.949 18.086 22.959 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.111 17.588 24.212 1.00 0.00 H new ATOM 813 N GLU A 51 26.385 15.971 20.339 1.00 0.00 N ATOM 814 CA GLU A 51 27.013 15.333 19.201 1.00 0.00 C ATOM 815 C GLU A 51 26.364 15.705 17.861 1.00 0.00 C ATOM 816 O GLU A 51 25.152 15.873 17.814 1.00 0.00 O ATOM 817 CB GLU A 51 26.807 13.821 19.292 1.00 0.00 C ATOM 818 CG GLU A 51 27.783 12.916 18.545 1.00 0.00 C ATOM 819 CD GLU A 51 27.504 11.432 18.711 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.405 10.974 18.317 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.243 10.772 19.459 1.00 0.00 O ATOM 0 H GLU A 51 25.483 15.562 20.582 1.00 0.00 H new ATOM 0 HA GLU A 51 28.054 15.654 19.230 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.835 13.544 20.346 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.803 13.599 18.930 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.752 13.164 17.484 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.795 13.126 18.892 1.00 0.00 H new ATOM 828 N ASP A 52 27.252 16.196 16.998 1.00 0.00 N ATOM 829 CA ASP A 52 26.965 16.785 15.708 1.00 0.00 C ATOM 830 C ASP A 52 26.290 15.764 14.787 1.00 0.00 C ATOM 831 O ASP A 52 26.660 14.593 14.886 1.00 0.00 O ATOM 832 CB ASP A 52 28.200 17.534 15.211 1.00 0.00 C ATOM 833 CG ASP A 52 29.114 16.745 14.277 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.735 16.362 13.150 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.273 16.495 14.676 1.00 0.00 O ATOM 0 H ASP A 52 28.251 16.189 17.202 1.00 0.00 H new ATOM 0 HA ASP A 52 26.206 17.566 15.755 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.873 18.436 14.694 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.782 17.854 16.075 1.00 0.00 H new ATOM 840 N GLY A 53 25.299 16.152 14.005 1.00 0.00 N ATOM 841 CA GLY A 53 24.632 15.267 13.075 1.00 0.00 C ATOM 842 C GLY A 53 23.147 15.445 13.386 1.00 0.00 C ATOM 843 O GLY A 53 22.388 15.454 12.415 1.00 0.00 O ATOM 0 H GLY A 53 24.932 17.104 14.000 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.857 15.532 12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.947 14.233 13.214 1.00 0.00 H new ATOM 847 N ARG A 54 22.723 15.594 14.634 1.00 0.00 N ATOM 848 CA ARG A 54 21.346 15.674 15.078 1.00 0.00 C ATOM 849 C ARG A 54 21.053 17.176 15.137 1.00 0.00 C ATOM 850 O ARG A 54 21.832 18.034 14.736 1.00 0.00 O ATOM 851 CB ARG A 54 21.216 15.006 16.448 1.00 0.00 C ATOM 852 CG ARG A 54 21.281 13.475 16.339 1.00 0.00 C ATOM 853 CD ARG A 54 21.281 12.799 17.713 1.00 0.00 C ATOM 854 NE ARG A 54 22.605 12.465 18.231 1.00 0.00 N ATOM 855 CZ ARG A 54 22.842 11.801 19.377 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.855 11.439 20.214 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.019 11.273 19.714 1.00 0.00 N ATOM 0 H ARG A 54 23.379 15.667 15.411 1.00 0.00 H new ATOM 0 HA ARG A 54 20.641 15.163 14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.013 15.359 17.103 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.272 15.299 16.908 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.430 13.117 15.759 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.181 13.189 15.795 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.783 13.456 18.426 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.689 11.886 17.653 1.00 0.00 H new ATOM 0 HE ARG A 54 23.413 12.758 17.681 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.887 11.667 19.989 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.074 10.936 21.074 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.816 11.360 19.084 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.122 10.782 20.602 1.00 0.00 H new ATOM 871 N THR A 55 19.819 17.445 15.567 1.00 0.00 N ATOM 872 CA THR A 55 19.176 18.734 15.461 1.00 0.00 C ATOM 873 C THR A 55 18.845 19.207 16.875 1.00 0.00 C ATOM 874 O THR A 55 19.129 18.545 17.877 1.00 0.00 O ATOM 875 CB THR A 55 17.909 18.431 14.660 1.00 0.00 C ATOM 876 OG1 THR A 55 17.022 17.437 15.133 1.00 0.00 O ATOM 877 CG2 THR A 55 18.187 18.055 13.204 1.00 0.00 C ATOM 0 H THR A 55 19.230 16.741 16.012 1.00 0.00 H new ATOM 0 HA THR A 55 19.774 19.512 14.987 1.00 0.00 H new ATOM 0 HB THR A 55 17.417 19.396 14.780 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.532 16.644 15.399 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.245 17.853 12.694 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.699 18.879 12.707 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.815 17.165 13.172 1.00 0.00 H new ATOM 885 N LEU A 56 18.163 20.355 16.950 1.00 0.00 N ATOM 886 CA LEU A 56 17.811 21.037 18.178 1.00 0.00 C ATOM 887 C LEU A 56 16.854 20.253 19.082 1.00 0.00 C ATOM 888 O LEU A 56 17.106 20.123 20.281 1.00 0.00 O ATOM 889 CB LEU A 56 17.076 22.352 17.893 1.00 0.00 C ATOM 890 CG LEU A 56 17.795 23.190 16.847 1.00 0.00 C ATOM 891 CD1 LEU A 56 17.178 24.588 16.732 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.263 23.368 17.228 1.00 0.00 C ATOM 0 H LEU A 56 17.833 20.845 16.119 1.00 0.00 H new ATOM 0 HA LEU A 56 18.772 21.176 18.673 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.064 22.135 17.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.985 22.924 18.816 1.00 0.00 H new ATOM 0 HG LEU A 56 17.700 22.664 15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 17.715 25.161 15.976 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.130 24.501 16.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.250 25.098 17.693 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.765 23.970 16.470 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.330 23.870 18.193 1.00 0.00 H new ATOM 0 HD23 LEU A 56 19.743 22.392 17.293 1.00 0.00 H new ATOM 904 N SER A 57 15.834 19.606 18.530 1.00 0.00 N ATOM 905 CA SER A 57 14.690 18.940 19.130 1.00 0.00 C ATOM 906 C SER A 57 15.194 17.656 19.791 1.00 0.00 C ATOM 907 O SER A 57 14.727 17.433 20.900 1.00 0.00 O ATOM 908 CB SER A 57 13.538 18.684 18.155 1.00 0.00 C ATOM 909 OG SER A 57 12.455 17.911 18.642 1.00 0.00 O ATOM 0 H SER A 57 15.788 19.528 17.514 1.00 0.00 H new ATOM 0 HA SER A 57 14.250 19.602 19.876 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.148 19.648 17.827 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.942 18.187 17.273 1.00 0.00 H new ATOM 0 HG SER A 57 11.780 17.813 17.938 1.00 0.00 H new ATOM 915 N ASP A 58 16.207 16.936 19.323 1.00 0.00 N ATOM 916 CA ASP A 58 16.715 15.635 19.727 1.00 0.00 C ATOM 917 C ASP A 58 17.430 15.674 21.083 1.00 0.00 C ATOM 918 O ASP A 58 17.746 14.673 21.718 1.00 0.00 O ATOM 919 CB ASP A 58 17.598 15.033 18.632 1.00 0.00 C ATOM 920 CG ASP A 58 16.998 14.835 17.251 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.849 14.408 17.029 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.817 15.131 16.355 1.00 0.00 O ATOM 0 H ASP A 58 16.762 17.302 18.550 1.00 0.00 H new ATOM 0 HA ASP A 58 15.854 14.981 19.863 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.476 15.670 18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.949 14.063 18.984 1.00 0.00 H new ATOM 927 N TYR A 59 17.695 16.917 21.487 1.00 0.00 N ATOM 928 CA TYR A 59 18.256 17.345 22.754 1.00 0.00 C ATOM 929 C TYR A 59 17.410 18.440 23.398 1.00 0.00 C ATOM 930 O TYR A 59 17.808 18.906 24.469 1.00 0.00 O ATOM 931 CB TYR A 59 19.721 17.750 22.571 1.00 0.00 C ATOM 932 CG TYR A 59 20.686 16.652 22.191 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.173 15.703 23.102 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.065 16.393 20.873 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.270 14.891 22.802 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.068 15.490 20.491 1.00 0.00 C ATOM 937 CZ TYR A 59 22.768 14.807 21.488 1.00 0.00 C ATOM 938 OH TYR A 59 23.728 13.915 21.114 1.00 0.00 O ATOM 0 H TYR A 59 17.503 17.713 20.878 1.00 0.00 H new ATOM 0 HA TYR A 59 18.237 16.507 23.451 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.767 18.524 21.805 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.068 18.201 23.501 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.687 15.597 24.061 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.548 16.927 20.090 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.742 14.321 23.588 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.294 15.326 19.448 1.00 0.00 H new ATOM 0 HH TYR A 59 23.660 13.110 21.668 1.00 0.00 H new ATOM 948 N ASN A 60 16.299 18.874 22.811 1.00 0.00 N ATOM 949 CA ASN A 60 15.295 19.786 23.326 1.00 0.00 C ATOM 950 C ASN A 60 15.934 21.121 23.709 1.00 0.00 C ATOM 951 O ASN A 60 15.822 21.577 24.841 1.00 0.00 O ATOM 952 CB ASN A 60 14.519 19.083 24.439 1.00 0.00 C ATOM 953 CG ASN A 60 13.111 19.589 24.732 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.167 18.985 24.229 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.878 20.565 25.608 1.00 0.00 N ATOM 0 H ASN A 60 16.060 18.562 21.870 1.00 0.00 H new ATOM 0 HA ASN A 60 14.560 20.049 22.565 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.452 18.024 24.188 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.103 19.157 25.357 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.919 20.808 25.858 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.658 21.070 26.029 1.00 0.00 H new ATOM 962 N ILE A 61 16.640 21.682 22.732 1.00 0.00 N ATOM 963 CA ILE A 61 17.168 23.029 22.674 1.00 0.00 C ATOM 964 C ILE A 61 16.022 23.744 21.956 1.00 0.00 C ATOM 965 O ILE A 61 15.678 23.432 20.823 1.00 0.00 O ATOM 966 CB ILE A 61 18.517 23.139 21.955 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.632 22.397 22.694 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.900 24.585 21.617 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.453 21.550 21.715 1.00 0.00 C ATOM 0 H ILE A 61 16.874 21.155 21.891 1.00 0.00 H new ATOM 0 HA ILE A 61 17.421 23.452 23.646 1.00 0.00 H new ATOM 0 HB ILE A 61 18.388 22.634 20.998 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.281 23.113 23.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.203 21.758 23.466 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.864 24.597 21.109 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.142 25.019 20.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.966 25.168 22.536 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.242 21.029 22.258 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.803 20.821 21.231 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.899 22.197 20.959 1.00 0.00 H new ATOM 981 N GLN A 62 15.414 24.611 22.752 1.00 0.00 N ATOM 982 CA GLN A 62 14.141 25.243 22.464 1.00 0.00 C ATOM 983 C GLN A 62 14.313 26.749 22.700 1.00 0.00 C ATOM 984 O GLN A 62 15.360 27.171 23.192 1.00 0.00 O ATOM 985 CB GLN A 62 12.973 24.645 23.246 1.00 0.00 C ATOM 986 CG GLN A 62 12.241 23.482 22.562 1.00 0.00 C ATOM 987 CD GLN A 62 11.516 23.966 21.318 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.511 25.136 20.945 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.137 22.900 20.617 1.00 0.00 N ATOM 0 H GLN A 62 15.809 24.902 23.646 1.00 0.00 H new ATOM 0 HA GLN A 62 13.870 25.057 21.425 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.344 24.299 24.211 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.251 25.437 23.447 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.955 22.703 22.294 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.528 23.036 23.255 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.186 21.971 21.035 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.798 23.012 19.662 1.00 0.00 H new ATOM 998 N LYS A 63 13.364 27.603 22.355 1.00 0.00 N ATOM 999 CA LYS A 63 13.400 29.057 22.328 1.00 0.00 C ATOM 1000 C LYS A 63 13.933 29.646 23.633 1.00 0.00 C ATOM 1001 O LYS A 63 13.389 29.558 24.731 1.00 0.00 O ATOM 1002 CB LYS A 63 12.066 29.674 21.911 1.00 0.00 C ATOM 1003 CG LYS A 63 10.851 29.274 22.730 1.00 0.00 C ATOM 1004 CD LYS A 63 9.559 28.978 21.965 1.00 0.00 C ATOM 1005 CE LYS A 63 9.344 27.617 21.307 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.220 27.598 20.368 1.00 0.00 N ATOM 0 H LYS A 63 12.452 27.258 22.055 1.00 0.00 H new ATOM 0 HA LYS A 63 14.113 29.330 21.550 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.164 30.759 21.952 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.878 29.410 20.870 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.111 28.388 23.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.646 30.073 23.443 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.732 29.135 22.657 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.468 29.732 21.183 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.253 27.328 20.780 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.174 26.870 22.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.128 26.647 19.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.344 27.844 20.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.390 28.289 19.609 1.00 0.00 H new ATOM 1020 N GLU A 64 15.096 30.283 23.558 1.00 0.00 N ATOM 1021 CA GLU A 64 15.837 30.828 24.679 1.00 0.00 C ATOM 1022 C GLU A 64 16.441 29.832 25.674 1.00 0.00 C ATOM 1023 O GLU A 64 16.614 30.115 26.858 1.00 0.00 O ATOM 1024 CB GLU A 64 15.086 31.952 25.390 1.00 0.00 C ATOM 1025 CG GLU A 64 14.681 33.176 24.561 1.00 0.00 C ATOM 1026 CD GLU A 64 14.078 34.294 25.396 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.640 34.665 26.443 1.00 0.00 O ATOM 1028 OE2 GLU A 64 12.990 34.778 24.993 1.00 0.00 O ATOM 0 H GLU A 64 15.567 30.439 22.667 1.00 0.00 H new ATOM 0 HA GLU A 64 16.714 31.246 24.186 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.181 31.528 25.825 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.706 32.298 26.217 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.557 33.556 24.035 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.961 32.870 23.802 1.00 0.00 H new ATOM 1035 N SER A 65 16.725 28.593 25.274 1.00 0.00 N ATOM 1036 CA SER A 65 17.704 27.748 25.921 1.00 0.00 C ATOM 1037 C SER A 65 19.165 28.194 25.887 1.00 0.00 C ATOM 1038 O SER A 65 19.646 28.462 24.790 1.00 0.00 O ATOM 1039 CB SER A 65 17.607 26.374 25.260 1.00 0.00 C ATOM 1040 OG SER A 65 16.422 25.676 25.574 1.00 0.00 O ATOM 0 H SER A 65 16.269 28.149 24.477 1.00 0.00 H new ATOM 0 HA SER A 65 17.451 27.775 26.981 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.671 26.496 24.179 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.464 25.773 25.564 1.00 0.00 H new ATOM 0 HG SER A 65 16.595 24.712 25.554 1.00 0.00 H new ATOM 1046 N THR A 66 19.864 28.109 27.015 1.00 0.00 N ATOM 1047 CA THR A 66 21.269 28.467 27.098 1.00 0.00 C ATOM 1048 C THR A 66 22.081 27.197 27.309 1.00 0.00 C ATOM 1049 O THR A 66 21.732 26.353 28.141 1.00 0.00 O ATOM 1050 CB THR A 66 21.346 29.331 28.353 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.561 30.501 28.242 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.783 29.717 28.725 1.00 0.00 C ATOM 0 H THR A 66 19.467 27.788 27.898 1.00 0.00 H new ATOM 0 HA THR A 66 21.646 28.973 26.209 1.00 0.00 H new ATOM 0 HB THR A 66 20.944 28.708 29.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.637 31.025 29.067 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.773 30.331 29.626 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.367 28.815 28.907 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.232 30.280 27.907 1.00 0.00 H new ATOM 1060 N LEU A 67 23.087 27.016 26.464 1.00 0.00 N ATOM 1061 CA LEU A 67 24.091 25.961 26.544 1.00 0.00 C ATOM 1062 C LEU A 67 25.365 26.711 26.936 1.00 0.00 C ATOM 1063 O LEU A 67 25.457 27.939 26.884 1.00 0.00 O ATOM 1064 CB LEU A 67 24.240 25.440 25.114 1.00 0.00 C ATOM 1065 CG LEU A 67 23.055 25.030 24.247 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.144 26.150 23.747 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.581 24.337 22.983 1.00 0.00 C ATOM 0 H LEU A 67 23.233 27.631 25.664 1.00 0.00 H new ATOM 0 HA LEU A 67 23.865 25.145 27.230 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.776 26.210 24.559 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.897 24.572 25.169 1.00 0.00 H new ATOM 0 HG LEU A 67 22.459 24.403 24.910 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.342 25.725 23.143 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.716 26.678 24.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.723 26.847 23.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.741 24.039 22.355 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.221 25.025 22.431 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.155 23.454 23.264 1.00 0.00 H new ATOM 1079 N HIS A 68 26.376 25.926 27.300 1.00 0.00 N ATOM 1080 CA HIS A 68 27.718 26.272 27.718 1.00 0.00 C ATOM 1081 C HIS A 68 28.684 25.784 26.632 1.00 0.00 C ATOM 1082 O HIS A 68 28.406 24.770 26.006 1.00 0.00 O ATOM 1083 CB HIS A 68 28.032 25.631 29.071 1.00 0.00 C ATOM 1084 CG HIS A 68 29.351 26.024 29.653 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.781 27.342 29.816 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.310 25.220 30.217 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.930 27.285 30.481 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.385 26.018 30.532 1.00 0.00 N ATOM 0 H HIS A 68 26.251 24.914 27.307 1.00 0.00 H new ATOM 0 HA HIS A 68 27.819 27.350 27.842 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.245 25.897 29.776 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.007 24.547 28.960 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.234 24.156 30.383 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.430 28.136 30.920 1.00 0.00 H new ATOM 0 HE2 HIS A 68 32.332 25.713 30.758 1.00 0.00 H new ATOM 1096 N LEU A 69 29.693 26.558 26.274 1.00 0.00 N ATOM 1097 CA LEU A 69 30.630 26.292 25.197 1.00 0.00 C ATOM 1098 C LEU A 69 32.046 26.387 25.764 1.00 0.00 C ATOM 1099 O LEU A 69 32.445 27.452 26.244 1.00 0.00 O ATOM 1100 CB LEU A 69 30.278 27.138 23.970 1.00 0.00 C ATOM 1101 CG LEU A 69 31.324 27.532 22.930 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.814 26.233 22.277 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.723 28.441 21.863 1.00 0.00 C ATOM 0 H LEU A 69 29.891 27.437 26.753 1.00 0.00 H new ATOM 0 HA LEU A 69 30.565 25.278 24.801 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.490 26.606 23.437 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.841 28.064 24.342 1.00 0.00 H new ATOM 0 HG LEU A 69 32.139 28.077 23.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.566 26.466 21.523 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.251 25.586 23.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.974 25.723 21.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.491 28.706 21.136 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.909 27.921 21.358 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.339 29.347 22.331 1.00 0.00 H new ATOM 1115 N VAL A 70 32.742 25.260 25.766 1.00 0.00 N ATOM 1116 CA VAL A 70 34.129 25.119 26.163 1.00 0.00 C ATOM 1117 C VAL A 70 34.845 24.933 24.825 1.00 0.00 C ATOM 1118 O VAL A 70 34.321 24.283 23.928 1.00 0.00 O ATOM 1119 CB VAL A 70 34.341 23.960 27.130 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.520 24.044 28.421 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.095 22.601 26.478 1.00 0.00 C ATOM 0 H VAL A 70 32.329 24.374 25.475 1.00 0.00 H new ATOM 0 HA VAL A 70 34.509 25.973 26.723 1.00 0.00 H new ATOM 0 HB VAL A 70 35.392 24.054 27.405 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.736 23.178 29.047 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.781 24.955 28.960 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.458 24.059 28.176 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.260 21.811 27.211 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.068 22.552 26.116 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.781 22.469 25.642 1.00 0.00 H new ATOM 1131 N LEU A 71 36.045 25.489 24.649 1.00 0.00 N ATOM 1132 CA LEU A 71 36.817 25.378 23.433 1.00 0.00 C ATOM 1133 C LEU A 71 37.926 24.332 23.562 1.00 0.00 C ATOM 1134 O LEU A 71 38.338 24.124 24.695 1.00 0.00 O ATOM 1135 CB LEU A 71 37.372 26.788 23.289 1.00 0.00 C ATOM 1136 CG LEU A 71 36.351 27.913 23.080 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.178 29.147 22.714 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.293 27.653 22.012 1.00 0.00 C ATOM 0 H LEU A 71 36.509 26.040 25.372 1.00 0.00 H new ATOM 0 HA LEU A 71 36.240 25.046 22.569 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.953 27.018 24.182 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.065 26.797 22.447 1.00 0.00 H new ATOM 0 HG LEU A 71 35.767 28.024 23.994 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.513 29.995 22.549 1.00 0.00 H new ATOM 0 HD12 LEU A 71 37.866 29.378 23.527 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.745 28.948 21.805 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.624 28.511 21.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.779 27.498 21.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.720 26.765 22.277 1.00 0.00 H new