USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 628 hydrogens (10 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 66 TPO H2 : A 66 TPO N : A 65 SEP C :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= -1.45! USER MOD Set 1.2: A 25 ASN : amide:sc= -1.99! C(o=-3.4!,f=-4.9!) USER MOD Set 2.1: A 7 THR OG1 : rot -78:sc= 1.07 USER MOD Set 2.2: A 9 THR OG1 : rot -170:sc= -0.058 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.11 (180deg=0.764) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0916 (180deg=-0.82) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.382 USER MOD Single : A 20 SER OG : rot -8:sc= 0.854! USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -4.39! (180deg=-6.87!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.6!) USER MOD Single : A 41 GLN : amide:sc= -3.47! K(o=-3.5!,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0986) USER MOD Single : A 68 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.939 24.395 3.008 1.00 0.00 N ATOM 2 CA MET A 1 25.060 25.580 3.218 1.00 0.00 C ATOM 3 C MET A 1 25.910 26.775 3.655 1.00 0.00 C ATOM 4 O MET A 1 26.981 26.618 4.207 1.00 0.00 O ATOM 5 CB MET A 1 24.026 25.263 4.300 1.00 0.00 C ATOM 6 CG MET A 1 23.121 24.126 3.821 1.00 0.00 C ATOM 7 SD MET A 1 21.783 23.874 5.013 1.00 0.00 S ATOM 8 CE MET A 1 20.999 22.473 4.178 1.00 0.00 C ATOM 0 H1 MET A 1 25.409 23.654 2.506 1.00 0.00 H new ATOM 0 H2 MET A 1 26.766 24.672 2.442 1.00 0.00 H new ATOM 0 H3 MET A 1 26.256 24.030 3.929 1.00 0.00 H new ATOM 0 HA MET A 1 24.547 25.822 2.287 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.527 24.978 5.225 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.430 26.149 4.520 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.708 24.364 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.700 23.209 3.709 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.131 22.147 4.752 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.681 22.775 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.711 21.652 4.099 1.00 0.00 H new ATOM 20 N GLN A 2 25.442 27.970 3.405 1.00 0.00 N ATOM 21 CA GLN A 2 26.219 29.186 3.796 1.00 0.00 C ATOM 22 C GLN A 2 25.675 29.748 5.111 1.00 0.00 C ATOM 23 O GLN A 2 24.481 29.820 5.322 1.00 0.00 O ATOM 24 CB GLN A 2 26.075 30.247 2.700 1.00 0.00 C ATOM 25 CG GLN A 2 26.946 31.460 3.037 1.00 0.00 C ATOM 26 CD GLN A 2 26.811 32.509 1.932 1.00 0.00 C ATOM 27 OE1 GLN A 2 25.715 32.826 1.512 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.884 33.064 1.441 1.00 0.00 N ATOM 0 H GLN A 2 24.551 28.158 2.945 1.00 0.00 H new ATOM 0 HA GLN A 2 27.268 28.919 3.923 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.371 29.831 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.032 30.550 2.609 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.643 31.884 3.994 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.988 31.156 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.803 32.798 1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.804 33.765 0.704 1.00 0.00 H new ATOM 37 N ILE A 3 26.549 30.162 5.993 1.00 0.00 N ATOM 38 CA ILE A 3 26.107 30.743 7.298 1.00 0.00 C ATOM 39 C ILE A 3 26.979 31.964 7.600 1.00 0.00 C ATOM 40 O ILE A 3 28.030 32.138 7.013 1.00 0.00 O ATOM 41 CB ILE A 3 26.269 29.701 8.409 1.00 0.00 C ATOM 42 CG1 ILE A 3 27.687 29.125 8.372 1.00 0.00 C ATOM 43 CG2 ILE A 3 25.257 28.574 8.205 1.00 0.00 C ATOM 44 CD1 ILE A 3 27.901 28.218 9.586 1.00 0.00 C ATOM 0 H ILE A 3 27.560 30.122 5.864 1.00 0.00 H new ATOM 0 HA ILE A 3 25.058 31.036 7.244 1.00 0.00 H new ATOM 0 HB ILE A 3 26.096 30.175 9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.838 28.561 7.452 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.419 29.932 8.374 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.373 27.833 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.247 28.982 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.428 28.102 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.910 27.808 9.560 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.768 28.796 10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.177 27.403 9.563 1.00 0.00 H new ATOM 56 N PHE A 4 26.550 32.819 8.499 1.00 0.00 N ATOM 57 CA PHE A 4 27.351 34.042 8.831 1.00 0.00 C ATOM 58 C PHE A 4 27.616 34.082 10.334 1.00 0.00 C ATOM 59 O PHE A 4 26.769 33.734 11.127 1.00 0.00 O ATOM 60 CB PHE A 4 26.557 35.286 8.428 1.00 0.00 C ATOM 61 CG PHE A 4 26.316 35.273 6.935 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.372 34.397 6.386 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.036 36.138 6.101 1.00 0.00 C ATOM 64 CE1 PHE A 4 25.147 34.386 5.005 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.811 36.126 4.720 1.00 0.00 C ATOM 66 CZ PHE A 4 25.867 35.250 4.171 1.00 0.00 C ATOM 0 H PHE A 4 25.678 32.722 9.018 1.00 0.00 H new ATOM 0 HA PHE A 4 28.299 34.017 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.606 35.311 8.960 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.104 36.186 8.710 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.817 33.729 7.029 1.00 0.00 H new ATOM 0 HD2 PHE A 4 27.765 36.814 6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 4 24.418 33.711 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.366 36.793 4.077 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.694 35.241 3.105 1.00 0.00 H new ATOM 76 N VAL A 5 28.787 34.505 10.732 1.00 0.00 N ATOM 77 CA VAL A 5 29.112 34.576 12.192 1.00 0.00 C ATOM 78 C VAL A 5 29.169 36.041 12.618 1.00 0.00 C ATOM 79 O VAL A 5 29.996 36.801 12.154 1.00 0.00 O ATOM 80 CB VAL A 5 30.467 33.915 12.445 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.811 34.015 13.931 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.392 32.441 12.042 1.00 0.00 C ATOM 0 H VAL A 5 29.536 34.806 10.109 1.00 0.00 H new ATOM 0 HA VAL A 5 28.346 34.056 12.767 1.00 0.00 H new ATOM 0 HB VAL A 5 31.235 34.418 11.858 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.777 33.544 14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.858 35.064 14.224 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.044 33.508 14.517 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.356 31.965 12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.625 31.941 12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.141 32.365 10.984 1.00 0.00 H new ATOM 92 N LYS A 6 28.292 36.444 13.498 1.00 0.00 N ATOM 93 CA LYS A 6 28.288 37.860 13.964 1.00 0.00 C ATOM 94 C LYS A 6 29.191 37.980 15.194 1.00 0.00 C ATOM 95 O LYS A 6 28.924 37.408 16.232 1.00 0.00 O ATOM 96 CB LYS A 6 26.860 38.261 14.335 1.00 0.00 C ATOM 97 CG LYS A 6 26.836 39.722 14.780 1.00 0.00 C ATOM 98 CD LYS A 6 25.387 40.165 14.993 1.00 0.00 C ATOM 99 CE LYS A 6 25.357 41.637 15.403 1.00 0.00 C ATOM 100 NZ LYS A 6 23.942 42.089 15.525 1.00 0.00 N ATOM 0 H LYS A 6 27.575 35.850 13.916 1.00 0.00 H new ATOM 0 HA LYS A 6 28.655 38.516 13.174 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.198 38.120 13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.488 37.621 15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.404 39.842 15.703 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.313 40.350 14.028 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.813 40.020 14.078 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.918 39.553 15.763 1.00 0.00 H new ATOM 0 HE2 LYS A 6 25.876 41.772 16.352 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.881 42.242 14.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.920 43.091 15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.461 41.974 14.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.456 41.518 16.246 1.00 0.00 H new ATOM 114 N THR A 7 30.272 38.710 15.083 1.00 0.00 N ATOM 115 CA THR A 7 31.205 38.858 16.240 1.00 0.00 C ATOM 116 C THR A 7 30.812 40.079 17.076 1.00 0.00 C ATOM 117 O THR A 7 30.042 40.917 16.651 1.00 0.00 O ATOM 118 CB THR A 7 32.630 39.042 15.714 1.00 0.00 C ATOM 119 OG1 THR A 7 32.694 40.231 14.940 1.00 0.00 O ATOM 120 CG2 THR A 7 33.012 37.842 14.846 1.00 0.00 C ATOM 0 H THR A 7 30.549 39.211 14.239 1.00 0.00 H new ATOM 0 HA THR A 7 31.151 37.966 16.864 1.00 0.00 H new ATOM 0 HB THR A 7 33.324 39.116 16.552 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.306 40.067 14.055 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.027 37.973 14.471 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.960 36.931 15.442 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.322 37.766 14.006 1.00 0.00 H new ATOM 128 N LEU A 8 31.339 40.185 18.265 1.00 0.00 N ATOM 129 CA LEU A 8 31.000 41.346 19.136 1.00 0.00 C ATOM 130 C LEU A 8 31.632 42.622 18.571 1.00 0.00 C ATOM 131 O LEU A 8 31.182 43.718 18.840 1.00 0.00 O ATOM 132 CB LEU A 8 31.537 41.097 20.551 1.00 0.00 C ATOM 133 CG LEU A 8 30.898 42.090 21.545 1.00 0.00 C ATOM 134 CD1 LEU A 8 29.539 41.564 22.025 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.817 42.268 22.758 1.00 0.00 C ATOM 0 H LEU A 8 31.992 39.515 18.672 1.00 0.00 H new ATOM 0 HA LEU A 8 29.917 41.465 19.170 1.00 0.00 H new ATOM 0 HB2 LEU A 8 31.318 40.074 20.856 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.621 41.208 20.561 1.00 0.00 H new ATOM 0 HG LEU A 8 30.757 43.045 21.039 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.100 42.275 22.725 1.00 0.00 H new ATOM 0 HD12 LEU A 8 28.874 41.440 21.170 1.00 0.00 H new ATOM 0 HD13 LEU A 8 29.675 40.603 22.521 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.364 42.970 23.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.961 41.306 23.250 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.782 42.655 22.430 1.00 0.00 H new ATOM 147 N THR A 9 32.676 42.494 17.797 1.00 0.00 N ATOM 148 CA THR A 9 33.333 43.707 17.229 1.00 0.00 C ATOM 149 C THR A 9 32.557 44.177 15.997 1.00 0.00 C ATOM 150 O THR A 9 32.901 45.162 15.374 1.00 0.00 O ATOM 151 CB THR A 9 34.773 43.373 16.831 1.00 0.00 C ATOM 152 OG1 THR A 9 34.765 42.390 15.806 1.00 0.00 O ATOM 153 CG2 THR A 9 35.528 42.838 18.049 1.00 0.00 C ATOM 0 H THR A 9 33.101 41.605 17.534 1.00 0.00 H new ATOM 0 HA THR A 9 33.341 44.499 17.978 1.00 0.00 H new ATOM 0 HB THR A 9 35.268 44.273 16.466 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.677 42.061 15.661 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.553 42.600 17.766 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.534 43.594 18.834 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.035 41.938 18.416 1.00 0.00 H new ATOM 161 N GLY A 10 31.504 43.487 15.648 1.00 0.00 N ATOM 162 CA GLY A 10 30.696 43.900 14.464 1.00 0.00 C ATOM 163 C GLY A 10 31.299 43.318 13.185 1.00 0.00 C ATOM 164 O GLY A 10 30.981 43.747 12.094 1.00 0.00 O ATOM 0 H GLY A 10 31.168 42.654 16.132 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.668 43.557 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.664 44.988 14.398 1.00 0.00 H new ATOM 168 N LYS A 11 32.167 42.344 13.297 1.00 0.00 N ATOM 169 CA LYS A 11 32.777 41.743 12.072 1.00 0.00 C ATOM 170 C LYS A 11 31.955 40.527 11.639 1.00 0.00 C ATOM 171 O LYS A 11 31.774 39.584 12.384 1.00 0.00 O ATOM 172 CB LYS A 11 34.216 41.305 12.376 1.00 0.00 C ATOM 173 CG LYS A 11 35.064 42.521 12.792 1.00 0.00 C ATOM 174 CD LYS A 11 35.596 43.247 11.549 1.00 0.00 C ATOM 175 CE LYS A 11 36.483 44.415 11.982 1.00 0.00 C ATOM 176 NZ LYS A 11 37.615 43.903 12.802 1.00 0.00 N ATOM 0 H LYS A 11 32.479 41.940 14.180 1.00 0.00 H new ATOM 0 HA LYS A 11 32.785 42.482 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.217 40.562 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.653 40.831 11.497 1.00 0.00 H new ATOM 0 HG2 LYS A 11 34.463 43.204 13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.896 42.196 13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.164 42.556 10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.766 43.612 10.944 1.00 0.00 H new ATOM 0 HE2 LYS A 11 36.863 44.941 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 11 35.900 45.134 12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.389 44.598 12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.294 43.748 13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 37.955 43.005 12.402 1.00 0.00 H new ATOM 190 N THR A 12 31.459 40.548 10.430 1.00 0.00 N ATOM 191 CA THR A 12 30.644 39.402 9.921 1.00 0.00 C ATOM 192 C THR A 12 31.521 38.503 9.048 1.00 0.00 C ATOM 193 O THR A 12 32.079 38.939 8.062 1.00 0.00 O ATOM 194 CB THR A 12 29.477 39.936 9.087 1.00 0.00 C ATOM 195 OG1 THR A 12 28.655 40.763 9.899 1.00 0.00 O ATOM 196 CG2 THR A 12 28.656 38.761 8.553 1.00 0.00 C ATOM 0 H THR A 12 31.583 41.314 9.768 1.00 0.00 H new ATOM 0 HA THR A 12 30.257 38.829 10.764 1.00 0.00 H new ATOM 0 HB THR A 12 29.862 40.519 8.250 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.908 41.107 9.365 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.824 39.139 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.289 38.128 7.931 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.269 38.178 9.389 1.00 0.00 H new ATOM 204 N ILE A 13 31.639 37.247 9.407 1.00 0.00 N ATOM 205 CA ILE A 13 32.475 36.299 8.604 1.00 0.00 C ATOM 206 C ILE A 13 31.568 35.308 7.880 1.00 0.00 C ATOM 207 O ILE A 13 30.587 34.838 8.420 1.00 0.00 O ATOM 208 CB ILE A 13 33.416 35.533 9.533 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.070 36.521 10.503 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.493 34.830 8.696 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.211 35.833 11.253 1.00 0.00 C ATOM 0 H ILE A 13 31.190 36.836 10.225 1.00 0.00 H new ATOM 0 HA ILE A 13 33.059 36.862 7.876 1.00 0.00 H new ATOM 0 HB ILE A 13 32.859 34.785 10.098 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.450 37.384 9.956 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.330 36.893 11.211 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.166 34.282 9.355 1.00 0.00 H new ATOM 0 HG22 ILE A 13 34.019 34.135 8.003 1.00 0.00 H new ATOM 0 HG23 ILE A 13 35.060 35.573 8.134 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.673 36.541 11.942 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.819 34.985 11.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.956 35.483 10.539 1.00 0.00 H new ATOM 223 N THR A 14 31.890 34.994 6.652 1.00 0.00 N ATOM 224 CA THR A 14 31.051 34.036 5.866 1.00 0.00 C ATOM 225 C THR A 14 31.721 32.664 5.841 1.00 0.00 C ATOM 226 O THR A 14 32.878 32.535 5.494 1.00 0.00 O ATOM 227 CB THR A 14 30.913 34.550 4.433 1.00 0.00 C ATOM 228 OG1 THR A 14 32.195 34.606 3.825 1.00 0.00 O ATOM 229 CG2 THR A 14 30.293 35.946 4.454 1.00 0.00 C ATOM 0 H THR A 14 32.702 35.361 6.156 1.00 0.00 H new ATOM 0 HA THR A 14 30.068 33.952 6.329 1.00 0.00 H new ATOM 0 HB THR A 14 30.273 33.877 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.735 33.846 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 14 30.193 36.315 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 14 29.309 35.900 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 14 30.934 36.620 5.023 1.00 0.00 H new ATOM 237 N LEU A 15 30.998 31.637 6.211 1.00 0.00 N ATOM 238 CA LEU A 15 31.576 30.256 6.216 1.00 0.00 C ATOM 239 C LEU A 15 30.621 29.298 5.503 1.00 0.00 C ATOM 240 O LEU A 15 29.419 29.479 5.507 1.00 0.00 O ATOM 241 CB LEU A 15 31.756 29.780 7.661 1.00 0.00 C ATOM 242 CG LEU A 15 32.830 30.623 8.375 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.655 30.486 9.889 1.00 0.00 C ATOM 244 CD2 LEU A 15 34.236 30.136 7.994 1.00 0.00 C ATOM 0 H LEU A 15 30.025 31.695 6.512 1.00 0.00 H new ATOM 0 HA LEU A 15 32.539 30.272 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.810 29.856 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.044 28.729 7.671 1.00 0.00 H new ATOM 0 HG LEU A 15 32.717 31.664 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.413 31.081 10.398 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.664 30.840 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.763 29.440 10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.983 30.742 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.352 29.093 8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.373 30.227 6.916 1.00 0.00 H new ATOM 256 N GLU A 16 31.158 28.260 4.914 1.00 0.00 N ATOM 257 CA GLU A 16 30.315 27.242 4.214 1.00 0.00 C ATOM 258 C GLU A 16 30.475 25.921 4.962 1.00 0.00 C ATOM 259 O GLU A 16 31.576 25.513 5.273 1.00 0.00 O ATOM 260 CB GLU A 16 30.798 27.077 2.771 1.00 0.00 C ATOM 261 CG GLU A 16 30.733 28.427 2.052 1.00 0.00 C ATOM 262 CD GLU A 16 31.083 28.238 0.574 1.00 0.00 C ATOM 263 OE1 GLU A 16 32.114 27.645 0.301 1.00 0.00 O ATOM 264 OE2 GLU A 16 30.314 28.690 -0.258 1.00 0.00 O ATOM 0 H GLU A 16 32.160 28.072 4.888 1.00 0.00 H new ATOM 0 HA GLU A 16 29.270 27.553 4.198 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.819 26.696 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.179 26.346 2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 16 29.735 28.854 2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.426 29.130 2.513 1.00 0.00 H new ATOM 271 N VAL A 17 29.395 25.250 5.273 1.00 0.00 N ATOM 272 CA VAL A 17 29.514 23.961 6.021 1.00 0.00 C ATOM 273 C VAL A 17 28.421 22.989 5.571 1.00 0.00 C ATOM 274 O VAL A 17 27.559 23.321 4.782 1.00 0.00 O ATOM 275 CB VAL A 17 29.382 24.233 7.538 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.055 25.565 7.883 1.00 0.00 C ATOM 277 CG2 VAL A 17 27.902 24.296 7.954 1.00 0.00 C ATOM 0 H VAL A 17 28.443 25.536 5.044 1.00 0.00 H new ATOM 0 HA VAL A 17 30.487 23.515 5.815 1.00 0.00 H new ATOM 0 HB VAL A 17 29.867 23.418 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.961 25.754 8.952 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.110 25.520 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.574 26.370 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.833 24.488 9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.405 25.098 7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.419 23.347 7.724 1.00 0.00 H new ATOM 287 N GLU A 18 28.451 21.794 6.097 1.00 0.00 N ATOM 288 CA GLU A 18 27.423 20.770 5.752 1.00 0.00 C ATOM 289 C GLU A 18 26.526 20.573 6.982 1.00 0.00 C ATOM 290 O GLU A 18 26.971 20.732 8.100 1.00 0.00 O ATOM 291 CB GLU A 18 28.128 19.453 5.413 1.00 0.00 C ATOM 292 CG GLU A 18 28.987 19.640 4.160 1.00 0.00 C ATOM 293 CD GLU A 18 28.082 19.832 2.943 1.00 0.00 C ATOM 294 OE1 GLU A 18 26.957 19.362 2.985 1.00 0.00 O ATOM 295 OE2 GLU A 18 28.529 20.447 1.988 1.00 0.00 O ATOM 0 H GLU A 18 29.157 21.479 6.763 1.00 0.00 H new ATOM 0 HA GLU A 18 26.827 21.088 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.751 19.136 6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.392 18.666 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.640 20.504 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.630 18.772 4.015 1.00 0.00 H new ATOM 302 N PRO A 19 25.279 20.227 6.800 1.00 0.00 N ATOM 303 CA PRO A 19 24.345 20.010 7.946 1.00 0.00 C ATOM 304 C PRO A 19 24.776 18.804 8.780 1.00 0.00 C ATOM 305 O PRO A 19 24.585 18.757 9.981 1.00 0.00 O ATOM 306 CB PRO A 19 22.996 19.751 7.262 1.00 0.00 C ATOM 307 CG PRO A 19 23.371 19.207 5.927 1.00 0.00 C ATOM 308 CD PRO A 19 24.610 19.990 5.511 1.00 0.00 C ATOM 0 HA PRO A 19 24.316 20.852 8.637 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.391 19.042 7.827 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.412 20.667 7.171 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.580 18.139 5.982 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.563 19.337 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.239 19.422 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.352 20.923 5.009 1.00 0.00 H new ATOM 316 N SER A 20 25.360 17.826 8.143 1.00 0.00 N ATOM 317 CA SER A 20 25.814 16.615 8.876 1.00 0.00 C ATOM 318 C SER A 20 27.197 16.875 9.470 1.00 0.00 C ATOM 319 O SER A 20 27.792 16.005 10.076 1.00 0.00 O ATOM 320 CB SER A 20 25.892 15.436 7.906 1.00 0.00 C ATOM 321 OG SER A 20 26.602 14.367 8.519 1.00 0.00 O ATOM 0 H SER A 20 25.542 17.816 7.139 1.00 0.00 H new ATOM 0 HA SER A 20 25.110 16.384 9.675 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.889 15.110 7.630 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.392 15.740 6.986 1.00 0.00 H new ATOM 0 HG SER A 20 26.987 14.674 9.366 1.00 0.00 H new ATOM 327 N ASP A 21 27.719 18.062 9.309 1.00 0.00 N ATOM 328 CA ASP A 21 29.068 18.344 9.880 1.00 0.00 C ATOM 329 C ASP A 21 28.974 18.324 11.410 1.00 0.00 C ATOM 330 O ASP A 21 27.975 18.714 11.989 1.00 0.00 O ATOM 331 CB ASP A 21 29.584 19.717 9.389 1.00 0.00 C ATOM 332 CG ASP A 21 31.114 19.684 9.265 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.605 18.941 8.432 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.766 20.398 10.008 1.00 0.00 O ATOM 0 H ASP A 21 27.278 18.838 8.815 1.00 0.00 H new ATOM 0 HA ASP A 21 29.772 17.581 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.137 19.960 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.283 20.499 10.086 1.00 0.00 H new ATOM 339 N THR A 22 30.010 17.873 12.066 1.00 0.00 N ATOM 340 CA THR A 22 29.992 17.826 13.554 1.00 0.00 C ATOM 341 C THR A 22 30.427 19.185 14.098 1.00 0.00 C ATOM 342 O THR A 22 31.050 19.965 13.407 1.00 0.00 O ATOM 343 CB THR A 22 30.965 16.749 14.041 1.00 0.00 C ATOM 344 OG1 THR A 22 32.296 17.147 13.745 1.00 0.00 O ATOM 345 CG2 THR A 22 30.658 15.426 13.337 1.00 0.00 C ATOM 0 H THR A 22 30.869 17.535 11.633 1.00 0.00 H new ATOM 0 HA THR A 22 28.987 17.591 13.904 1.00 0.00 H new ATOM 0 HB THR A 22 30.855 16.619 15.118 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.920 16.459 14.057 1.00 0.00 H new ATOM 0 HG21 THR A 22 31.351 14.660 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.636 15.121 13.564 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.767 15.553 12.260 1.00 0.00 H new ATOM 353 N ILE A 23 30.113 19.479 15.328 1.00 0.00 N ATOM 354 CA ILE A 23 30.525 20.792 15.895 1.00 0.00 C ATOM 355 C ILE A 23 32.056 20.866 15.872 1.00 0.00 C ATOM 356 O ILE A 23 32.636 21.895 15.588 1.00 0.00 O ATOM 357 CB ILE A 23 30.008 20.924 17.340 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.490 21.196 17.345 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.719 22.089 18.040 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.718 19.931 16.974 1.00 0.00 C ATOM 0 H ILE A 23 29.593 18.872 15.961 1.00 0.00 H new ATOM 0 HA ILE A 23 30.105 21.606 15.305 1.00 0.00 H new ATOM 0 HB ILE A 23 30.211 19.991 17.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.180 21.542 18.331 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.255 21.993 16.639 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.350 22.179 19.062 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.793 21.903 18.057 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.520 23.014 17.500 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.649 20.142 16.983 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.015 19.602 15.978 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.939 19.145 17.696 1.00 0.00 H new ATOM 372 N GLU A 24 32.714 19.779 16.171 1.00 0.00 N ATOM 373 CA GLU A 24 34.204 19.780 16.172 1.00 0.00 C ATOM 374 C GLU A 24 34.725 19.978 14.746 1.00 0.00 C ATOM 375 O GLU A 24 35.727 20.627 14.528 1.00 0.00 O ATOM 376 CB GLU A 24 34.717 18.444 16.713 1.00 0.00 C ATOM 377 CG GLU A 24 34.206 18.238 18.141 1.00 0.00 C ATOM 378 CD GLU A 24 34.820 16.963 18.722 1.00 0.00 C ATOM 379 OE1 GLU A 24 34.249 15.905 18.512 1.00 0.00 O ATOM 380 OE2 GLU A 24 35.850 17.065 19.367 1.00 0.00 O ATOM 0 H GLU A 24 32.282 18.888 16.415 1.00 0.00 H new ATOM 0 HA GLU A 24 34.559 20.594 16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.380 17.628 16.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.807 18.429 16.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 34.468 19.096 18.760 1.00 0.00 H new ATOM 0 HG3 GLU A 24 33.118 18.164 18.143 1.00 0.00 H new ATOM 387 N ASN A 25 34.052 19.429 13.771 1.00 0.00 N ATOM 388 CA ASN A 25 34.520 19.592 12.363 1.00 0.00 C ATOM 389 C ASN A 25 34.322 21.043 11.921 1.00 0.00 C ATOM 390 O ASN A 25 35.144 21.609 11.224 1.00 0.00 O ATOM 391 CB ASN A 25 33.717 18.669 11.439 1.00 0.00 C ATOM 392 CG ASN A 25 34.075 17.211 11.736 1.00 0.00 C ATOM 393 OD1 ASN A 25 35.081 16.934 12.356 1.00 0.00 O ATOM 394 ND2 ASN A 25 33.285 16.260 11.314 1.00 0.00 N ATOM 0 H ASN A 25 33.202 18.877 13.887 1.00 0.00 H new ATOM 0 HA ASN A 25 35.577 19.332 12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.649 18.829 11.586 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.934 18.903 10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.514 15.285 11.506 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.440 16.493 10.793 1.00 0.00 H new ATOM 401 N VAL A 26 33.237 21.648 12.316 1.00 0.00 N ATOM 402 CA VAL A 26 32.987 23.060 11.912 1.00 0.00 C ATOM 403 C VAL A 26 33.932 23.989 12.681 1.00 0.00 C ATOM 404 O VAL A 26 34.368 25.001 12.166 1.00 0.00 O ATOM 405 CB VAL A 26 31.529 23.427 12.201 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.287 24.887 11.834 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.607 22.548 11.355 1.00 0.00 C ATOM 0 H VAL A 26 32.514 21.227 12.900 1.00 0.00 H new ATOM 0 HA VAL A 26 33.173 23.173 10.844 1.00 0.00 H new ATOM 0 HB VAL A 26 31.323 23.273 13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.249 25.147 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.945 25.525 12.425 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.494 25.035 10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.568 22.808 11.559 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.820 22.709 10.298 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.775 21.500 11.604 1.00 0.00 H new ATOM 417 N LYS A 27 34.269 23.654 13.902 1.00 0.00 N ATOM 418 CA LYS A 27 35.201 24.517 14.682 1.00 0.00 C ATOM 419 C LYS A 27 36.575 24.435 14.028 1.00 0.00 C ATOM 420 O LYS A 27 37.324 25.391 13.984 1.00 0.00 O ATOM 421 CB LYS A 27 35.292 24.008 16.128 1.00 0.00 C ATOM 422 CG LYS A 27 34.075 24.482 16.927 1.00 0.00 C ATOM 423 CD LYS A 27 34.184 23.974 18.369 1.00 0.00 C ATOM 424 CE LYS A 27 33.225 24.758 19.268 1.00 0.00 C ATOM 425 NZ LYS A 27 31.824 24.538 18.814 1.00 0.00 N ATOM 0 H LYS A 27 33.938 22.821 14.389 1.00 0.00 H new ATOM 0 HA LYS A 27 34.843 25.546 14.694 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.342 22.919 16.137 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.208 24.372 16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 34.021 25.571 16.916 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.158 24.112 16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 27 33.947 22.911 18.409 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.207 24.086 18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.337 24.437 20.304 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.466 25.820 19.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.305 25.439 18.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.828 24.170 17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.359 23.852 19.442 1.00 0.00 H new ATOM 439 N ALA A 28 36.896 23.292 13.498 1.00 0.00 N ATOM 440 CA ALA A 28 38.201 23.121 12.818 1.00 0.00 C ATOM 441 C ALA A 28 38.254 24.088 11.630 1.00 0.00 C ATOM 442 O ALA A 28 39.200 24.830 11.458 1.00 0.00 O ATOM 443 CB ALA A 28 38.303 21.674 12.333 1.00 0.00 C ATOM 0 H ALA A 28 36.303 22.462 13.508 1.00 0.00 H new ATOM 0 HA ALA A 28 39.031 23.334 13.492 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.258 21.526 11.829 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.235 20.999 13.186 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.489 21.465 11.638 1.00 0.00 H new ATOM 449 N LYS A 29 37.233 24.074 10.817 1.00 0.00 N ATOM 450 CA LYS A 29 37.199 24.986 9.643 1.00 0.00 C ATOM 451 C LYS A 29 37.480 26.417 10.109 1.00 0.00 C ATOM 452 O LYS A 29 38.260 27.133 9.514 1.00 0.00 O ATOM 453 CB LYS A 29 35.809 24.929 8.997 1.00 0.00 C ATOM 454 CG LYS A 29 35.478 23.487 8.561 1.00 0.00 C ATOM 455 CD LYS A 29 36.063 23.196 7.165 1.00 0.00 C ATOM 456 CE LYS A 29 35.095 23.674 6.072 1.00 0.00 C ATOM 457 NZ LYS A 29 35.688 23.404 4.732 1.00 0.00 N ATOM 0 H LYS A 29 36.419 23.467 10.917 1.00 0.00 H new ATOM 0 HA LYS A 29 37.953 24.680 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.058 25.284 9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.774 25.594 8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.882 22.780 9.286 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.397 23.345 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 29 37.024 23.698 7.054 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.247 22.127 7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.138 23.161 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.898 24.740 6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.033 23.727 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.591 23.913 4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.854 22.383 4.625 1.00 0.00 H new ATOM 471 N ILE A 30 36.848 26.838 11.171 1.00 0.00 N ATOM 472 CA ILE A 30 37.075 28.223 11.675 1.00 0.00 C ATOM 473 C ILE A 30 38.513 28.363 12.175 1.00 0.00 C ATOM 474 O ILE A 30 39.133 29.394 12.019 1.00 0.00 O ATOM 475 CB ILE A 30 36.108 28.512 12.825 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.677 28.533 12.284 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.437 29.878 13.445 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.689 28.518 13.451 1.00 0.00 C ATOM 0 H ILE A 30 36.184 26.283 11.711 1.00 0.00 H new ATOM 0 HA ILE A 30 36.904 28.932 10.865 1.00 0.00 H new ATOM 0 HB ILE A 30 36.205 27.737 13.586 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.521 29.422 11.673 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.508 27.670 11.640 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.747 30.082 14.264 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.459 29.868 13.825 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.339 30.655 12.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.670 28.533 13.065 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.839 27.616 14.043 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.853 29.395 14.078 1.00 0.00 H new ATOM 490 N GLN A 31 39.040 27.342 12.788 1.00 0.00 N ATOM 491 CA GLN A 31 40.432 27.420 13.310 1.00 0.00 C ATOM 492 C GLN A 31 41.402 27.728 12.171 1.00 0.00 C ATOM 493 O GLN A 31 42.243 28.595 12.272 1.00 0.00 O ATOM 494 CB GLN A 31 40.809 26.073 13.938 1.00 0.00 C ATOM 495 CG GLN A 31 42.249 26.126 14.469 1.00 0.00 C ATOM 496 CD GLN A 31 43.242 25.864 13.332 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.912 26.770 12.876 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.367 24.658 12.853 1.00 0.00 N ATOM 0 H GLN A 31 38.566 26.454 12.951 1.00 0.00 H new ATOM 0 HA GLN A 31 40.491 28.212 14.056 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.122 25.836 14.750 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.714 25.278 13.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.444 27.101 14.915 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.382 25.384 15.256 1.00 0.00 H new ATOM 0 HE21 GLN A 31 42.805 23.897 13.235 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.026 24.476 12.097 1.00 0.00 H new ATOM 507 N ASP A 32 41.300 27.009 11.095 1.00 0.00 N ATOM 508 CA ASP A 32 42.227 27.234 9.948 1.00 0.00 C ATOM 509 C ASP A 32 41.950 28.583 9.272 1.00 0.00 C ATOM 510 O ASP A 32 42.844 29.204 8.733 1.00 0.00 O ATOM 511 CB ASP A 32 42.043 26.111 8.926 1.00 0.00 C ATOM 512 CG ASP A 32 43.148 26.190 7.871 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.136 26.859 8.126 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.987 25.583 6.825 1.00 0.00 O ATOM 0 H ASP A 32 40.612 26.269 10.955 1.00 0.00 H new ATOM 0 HA ASP A 32 43.250 27.240 10.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 42.072 25.143 9.426 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.066 26.195 8.450 1.00 0.00 H new ATOM 519 N LYS A 33 40.723 29.030 9.264 1.00 0.00 N ATOM 520 CA LYS A 33 40.407 30.326 8.584 1.00 0.00 C ATOM 521 C LYS A 33 40.703 31.526 9.495 1.00 0.00 C ATOM 522 O LYS A 33 41.324 32.484 9.079 1.00 0.00 O ATOM 523 CB LYS A 33 38.924 30.340 8.197 1.00 0.00 C ATOM 524 CG LYS A 33 38.619 29.190 7.221 1.00 0.00 C ATOM 525 CD LYS A 33 38.966 29.604 5.785 1.00 0.00 C ATOM 526 CE LYS A 33 38.543 28.496 4.818 1.00 0.00 C ATOM 527 NZ LYS A 33 38.725 28.965 3.415 1.00 0.00 N ATOM 0 H LYS A 33 39.928 28.559 9.695 1.00 0.00 H new ATOM 0 HA LYS A 33 41.036 30.410 7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.307 30.242 9.090 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.670 31.295 7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.192 28.306 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.565 28.920 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.460 30.535 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.037 29.789 5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 33 39.137 27.599 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 37.501 28.226 4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 38.438 28.212 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.140 29.809 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.725 29.201 3.255 1.00 0.00 H new ATOM 541 N GLU A 34 40.255 31.501 10.724 1.00 0.00 N ATOM 542 CA GLU A 34 40.507 32.665 11.633 1.00 0.00 C ATOM 543 C GLU A 34 41.851 32.492 12.344 1.00 0.00 C ATOM 544 O GLU A 34 42.504 33.453 12.700 1.00 0.00 O ATOM 545 CB GLU A 34 39.378 32.757 12.660 1.00 0.00 C ATOM 546 CG GLU A 34 38.065 33.068 11.937 1.00 0.00 C ATOM 547 CD GLU A 34 36.976 33.391 12.961 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.255 34.152 13.873 1.00 0.00 O ATOM 549 OE2 GLU A 34 35.880 32.876 12.814 1.00 0.00 O ATOM 0 H GLU A 34 39.729 30.731 11.138 1.00 0.00 H new ATOM 0 HA GLU A 34 40.538 33.583 11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.292 31.819 13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.598 33.535 13.391 1.00 0.00 H new ATOM 0 HG2 GLU A 34 38.202 33.911 11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 34 37.764 32.216 11.328 1.00 0.00 H new ATOM 556 N GLY A 35 42.283 31.277 12.529 1.00 0.00 N ATOM 557 CA GLY A 35 43.599 31.044 13.190 1.00 0.00 C ATOM 558 C GLY A 35 43.495 31.228 14.709 1.00 0.00 C ATOM 559 O GLY A 35 44.481 31.133 15.413 1.00 0.00 O ATOM 0 H GLY A 35 41.782 30.433 12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.948 30.036 12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.339 31.735 12.787 1.00 0.00 H new ATOM 563 N ILE A 36 42.324 31.486 15.230 1.00 0.00 N ATOM 564 CA ILE A 36 42.198 31.666 16.711 1.00 0.00 C ATOM 565 C ILE A 36 41.931 30.291 17.357 1.00 0.00 C ATOM 566 O ILE A 36 40.985 29.626 16.988 1.00 0.00 O ATOM 567 CB ILE A 36 41.024 32.601 17.010 1.00 0.00 C ATOM 568 CG1 ILE A 36 41.153 33.863 16.153 1.00 0.00 C ATOM 569 CG2 ILE A 36 41.051 32.992 18.488 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.981 34.801 16.445 1.00 0.00 C ATOM 0 H ILE A 36 41.456 31.580 14.702 1.00 0.00 H new ATOM 0 HA ILE A 36 43.116 32.095 17.113 1.00 0.00 H new ATOM 0 HB ILE A 36 40.086 32.095 16.782 1.00 0.00 H new ATOM 0 HG12 ILE A 36 42.096 34.365 16.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.165 33.598 15.096 1.00 0.00 H new ATOM 0 HG21 ILE A 36 40.216 33.658 18.703 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.969 32.096 19.103 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.988 33.501 18.713 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.073 35.699 15.835 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.044 34.297 16.209 1.00 0.00 H new ATOM 0 HD13 ILE A 36 39.989 35.076 17.500 1.00 0.00 H new ATOM 582 N PRO A 37 42.740 29.842 18.304 1.00 0.00 N ATOM 583 CA PRO A 37 42.516 28.509 18.945 1.00 0.00 C ATOM 584 C PRO A 37 41.045 28.312 19.392 1.00 0.00 C ATOM 585 O PRO A 37 40.494 29.154 20.072 1.00 0.00 O ATOM 586 CB PRO A 37 43.432 28.555 20.179 1.00 0.00 C ATOM 587 CG PRO A 37 44.547 29.474 19.801 1.00 0.00 C ATOM 588 CD PRO A 37 43.938 30.515 18.854 1.00 0.00 C ATOM 0 HA PRO A 37 42.727 27.688 18.260 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.897 28.924 21.054 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.807 27.562 20.429 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.974 29.952 20.683 1.00 0.00 H new ATOM 0 HG3 PRO A 37 45.354 28.928 19.312 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.674 31.430 19.384 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.637 30.794 18.065 1.00 0.00 H new ATOM 596 N PRO A 38 40.410 27.205 19.046 1.00 0.00 N ATOM 597 CA PRO A 38 38.999 26.927 19.468 1.00 0.00 C ATOM 598 C PRO A 38 38.754 27.152 20.968 1.00 0.00 C ATOM 599 O PRO A 38 37.680 27.547 21.374 1.00 0.00 O ATOM 600 CB PRO A 38 38.812 25.452 19.126 1.00 0.00 C ATOM 601 CG PRO A 38 39.681 25.255 17.944 1.00 0.00 C ATOM 602 CD PRO A 38 40.924 26.106 18.200 1.00 0.00 C ATOM 0 HA PRO A 38 38.301 27.599 18.970 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.109 24.808 19.954 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.771 25.222 18.901 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.944 24.204 17.822 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.175 25.565 17.030 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.704 25.538 18.707 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.355 26.480 17.271 1.00 0.00 H new ATOM 610 N ASP A 39 39.732 26.875 21.791 1.00 0.00 N ATOM 611 CA ASP A 39 39.553 27.039 23.266 1.00 0.00 C ATOM 612 C ASP A 39 39.325 28.510 23.626 1.00 0.00 C ATOM 613 O ASP A 39 39.133 28.847 24.777 1.00 0.00 O ATOM 614 CB ASP A 39 40.808 26.538 23.982 1.00 0.00 C ATOM 615 CG ASP A 39 41.211 25.174 23.419 1.00 0.00 C ATOM 616 OD1 ASP A 39 41.520 25.109 22.240 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.206 24.217 24.176 1.00 0.00 O ATOM 0 H ASP A 39 40.652 26.541 21.504 1.00 0.00 H new ATOM 0 HA ASP A 39 38.682 26.463 23.578 1.00 0.00 H new ATOM 0 HB2 ASP A 39 41.622 27.251 23.852 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.621 26.460 25.053 1.00 0.00 H new ATOM 622 N GLN A 40 39.351 29.390 22.657 1.00 0.00 N ATOM 623 CA GLN A 40 39.147 30.848 22.938 1.00 0.00 C ATOM 624 C GLN A 40 37.788 31.303 22.394 1.00 0.00 C ATOM 625 O GLN A 40 37.250 32.309 22.812 1.00 0.00 O ATOM 626 CB GLN A 40 40.256 31.637 22.237 1.00 0.00 C ATOM 627 CG GLN A 40 40.265 33.088 22.729 1.00 0.00 C ATOM 628 CD GLN A 40 40.807 33.143 24.157 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.621 32.328 24.543 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.392 34.082 24.964 1.00 0.00 N ATOM 0 H GLN A 40 39.506 29.161 21.675 1.00 0.00 H new ATOM 0 HA GLN A 40 39.175 31.021 24.014 1.00 0.00 H new ATOM 0 HB2 GLN A 40 41.222 31.173 22.433 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.104 31.612 21.158 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.881 33.701 22.072 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.256 33.500 22.696 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.709 34.767 24.641 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.751 34.131 25.917 1.00 0.00 H new ATOM 639 N GLN A 41 37.237 30.583 21.448 1.00 0.00 N ATOM 640 CA GLN A 41 35.923 30.990 20.849 1.00 0.00 C ATOM 641 C GLN A 41 34.775 30.133 21.386 1.00 0.00 C ATOM 642 O GLN A 41 34.884 28.930 21.507 1.00 0.00 O ATOM 643 CB GLN A 41 35.993 30.812 19.331 1.00 0.00 C ATOM 644 CG GLN A 41 37.255 31.489 18.793 1.00 0.00 C ATOM 645 CD GLN A 41 37.227 32.977 19.144 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.693 33.777 18.403 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.781 33.383 20.253 1.00 0.00 N ATOM 0 H GLN A 41 37.640 29.729 21.062 1.00 0.00 H new ATOM 0 HA GLN A 41 35.735 32.030 21.115 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.001 29.752 19.079 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.109 31.244 18.863 1.00 0.00 H new ATOM 0 HG2 GLN A 41 38.142 31.021 19.220 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.316 31.361 17.712 1.00 0.00 H new ATOM 0 HE21 GLN A 41 38.229 32.710 20.875 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.766 34.373 20.498 1.00 0.00 H new ATOM 656 N ARG A 42 33.663 30.759 21.677 1.00 0.00 N ATOM 657 CA ARG A 42 32.458 30.025 22.176 1.00 0.00 C ATOM 658 C ARG A 42 31.312 30.291 21.205 1.00 0.00 C ATOM 659 O ARG A 42 30.755 31.373 21.171 1.00 0.00 O ATOM 660 CB ARG A 42 32.086 30.547 23.564 1.00 0.00 C ATOM 661 CG ARG A 42 33.137 30.066 24.588 1.00 0.00 C ATOM 662 CD ARG A 42 32.893 28.579 24.979 1.00 0.00 C ATOM 663 NE ARG A 42 33.005 28.379 26.459 1.00 0.00 N ATOM 664 CZ ARG A 42 32.311 29.099 27.314 1.00 0.00 C ATOM 665 NH1 ARG A 42 32.481 28.911 28.589 1.00 0.00 N ATOM 666 NH2 ARG A 42 31.450 29.991 26.900 1.00 0.00 N ATOM 0 H ARG A 42 33.536 31.767 21.588 1.00 0.00 H new ATOM 0 HA ARG A 42 32.659 28.956 22.242 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.041 31.636 23.556 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.096 30.189 23.846 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.137 30.176 24.168 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.095 30.692 25.479 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.903 28.270 24.642 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.616 27.943 24.468 1.00 0.00 H new ATOM 0 HE ARG A 42 33.638 27.663 26.815 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.147 28.211 28.917 1.00 0.00 H new ATOM 0 HH12 ARG A 42 31.949 29.463 29.261 1.00 0.00 H new ATOM 0 HH21 ARG A 42 31.308 30.137 25.901 1.00 0.00 H new ATOM 0 HH22 ARG A 42 30.920 30.541 27.576 1.00 0.00 H new ATOM 680 N LEU A 43 30.965 29.329 20.389 1.00 0.00 N ATOM 681 CA LEU A 43 29.872 29.546 19.400 1.00 0.00 C ATOM 682 C LEU A 43 28.522 29.179 20.015 1.00 0.00 C ATOM 683 O LEU A 43 28.321 28.082 20.509 1.00 0.00 O ATOM 684 CB LEU A 43 30.140 28.668 18.172 1.00 0.00 C ATOM 685 CG LEU A 43 31.405 29.162 17.440 1.00 0.00 C ATOM 686 CD1 LEU A 43 32.021 28.013 16.637 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.049 30.303 16.477 1.00 0.00 C ATOM 0 H LEU A 43 31.393 28.403 20.366 1.00 0.00 H new ATOM 0 HA LEU A 43 29.845 30.596 19.109 1.00 0.00 H new ATOM 0 HB2 LEU A 43 30.268 27.630 18.477 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.284 28.699 17.498 1.00 0.00 H new ATOM 0 HG LEU A 43 32.117 29.521 18.183 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.914 28.367 16.122 1.00 0.00 H new ATOM 0 HD12 LEU A 43 32.289 27.200 17.312 1.00 0.00 H new ATOM 0 HD13 LEU A 43 31.299 27.653 15.905 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.950 30.643 15.967 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.328 29.947 15.741 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.616 31.131 17.038 1.00 0.00 H new ATOM 699 N ILE A 44 27.595 30.104 19.984 1.00 0.00 N ATOM 700 CA ILE A 44 26.237 29.857 20.554 1.00 0.00 C ATOM 701 C ILE A 44 25.191 30.103 19.465 1.00 0.00 C ATOM 702 O ILE A 44 25.339 30.972 18.625 1.00 0.00 O ATOM 703 CB ILE A 44 25.999 30.808 21.731 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.139 30.640 22.743 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.659 30.476 22.402 1.00 0.00 C ATOM 706 CD1 ILE A 44 26.824 31.412 24.028 1.00 0.00 C ATOM 0 H ILE A 44 27.725 31.032 19.582 1.00 0.00 H new ATOM 0 HA ILE A 44 26.161 28.829 20.907 1.00 0.00 H new ATOM 0 HB ILE A 44 25.971 31.837 21.374 1.00 0.00 H new ATOM 0 HG12 ILE A 44 27.280 29.583 22.970 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.073 31.001 22.313 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.493 31.155 23.239 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.852 30.588 21.678 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.679 29.449 22.766 1.00 0.00 H new ATOM 0 HD11 ILE A 44 27.641 31.285 24.738 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.706 32.471 23.797 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.901 31.031 24.465 1.00 0.00 H new ATOM 718 N PHE A 45 24.132 29.340 19.481 1.00 0.00 N ATOM 719 CA PHE A 45 23.062 29.513 18.456 1.00 0.00 C ATOM 720 C PHE A 45 21.710 29.143 19.065 1.00 0.00 C ATOM 721 O PHE A 45 21.611 28.262 19.897 1.00 0.00 O ATOM 722 CB PHE A 45 23.344 28.613 17.251 1.00 0.00 C ATOM 723 CG PHE A 45 22.187 28.703 16.283 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.112 29.772 15.382 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.185 27.727 16.297 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.034 29.863 14.494 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.108 27.817 15.407 1.00 0.00 C ATOM 728 CZ PHE A 45 20.032 28.885 14.506 1.00 0.00 C ATOM 0 H PHE A 45 23.961 28.601 20.163 1.00 0.00 H new ATOM 0 HA PHE A 45 23.043 30.552 18.129 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.268 28.920 16.761 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.482 27.582 17.576 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.885 30.526 15.372 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.242 26.904 16.994 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.975 30.688 13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.336 27.062 15.416 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.201 28.955 13.820 1.00 0.00 H new ATOM 738 N ALA A 46 20.675 29.819 18.653 1.00 0.00 N ATOM 739 CA ALA A 46 19.321 29.528 19.197 1.00 0.00 C ATOM 740 C ALA A 46 19.361 29.626 20.721 1.00 0.00 C ATOM 741 O ALA A 46 18.410 29.290 21.399 1.00 0.00 O ATOM 742 CB ALA A 46 18.882 28.121 18.781 1.00 0.00 C ATOM 0 H ALA A 46 20.710 30.565 17.958 1.00 0.00 H new ATOM 0 HA ALA A 46 18.608 30.251 18.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.890 27.916 19.183 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.853 28.055 17.693 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.590 27.389 19.170 1.00 0.00 H new ATOM 748 N GLY A 47 20.452 30.096 21.267 1.00 0.00 N ATOM 749 CA GLY A 47 20.553 30.233 22.749 1.00 0.00 C ATOM 750 C GLY A 47 21.171 28.976 23.367 1.00 0.00 C ATOM 751 O GLY A 47 21.090 28.777 24.563 1.00 0.00 O ATOM 0 H GLY A 47 21.279 30.391 20.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.160 31.103 22.998 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.563 30.403 23.172 1.00 0.00 H new ATOM 755 N LYS A 48 21.808 28.132 22.580 1.00 0.00 N ATOM 756 CA LYS A 48 22.455 26.898 23.145 1.00 0.00 C ATOM 757 C LYS A 48 23.941 26.925 22.812 1.00 0.00 C ATOM 758 O LYS A 48 24.350 27.387 21.764 1.00 0.00 O ATOM 759 CB LYS A 48 21.841 25.614 22.531 1.00 0.00 C ATOM 760 CG LYS A 48 20.611 25.162 23.332 1.00 0.00 C ATOM 761 CD LYS A 48 19.387 25.995 22.939 1.00 0.00 C ATOM 762 CE LYS A 48 18.142 25.440 23.633 1.00 0.00 C ATOM 763 NZ LYS A 48 16.956 26.252 23.241 1.00 0.00 N ATOM 0 H LYS A 48 21.907 28.245 21.571 1.00 0.00 H new ATOM 0 HA LYS A 48 22.293 26.887 24.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.558 25.800 21.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.586 24.818 22.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.416 24.106 23.147 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.804 25.268 24.399 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.538 27.037 23.221 1.00 0.00 H new ATOM 0 HD3 LYS A 48 19.252 25.974 21.858 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.991 24.397 23.355 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.273 25.465 24.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.108 25.877 23.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.102 27.241 23.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.829 26.206 22.210 1.00 0.00 H new ATOM 777 N GLN A 49 24.748 26.406 23.688 1.00 0.00 N ATOM 778 CA GLN A 49 26.209 26.367 23.423 1.00 0.00 C ATOM 779 C GLN A 49 26.505 25.117 22.612 1.00 0.00 C ATOM 780 O GLN A 49 26.299 24.006 23.057 1.00 0.00 O ATOM 781 CB GLN A 49 26.978 26.333 24.736 1.00 0.00 C ATOM 782 CG GLN A 49 28.484 26.401 24.466 1.00 0.00 C ATOM 783 CD GLN A 49 29.246 26.112 25.761 1.00 0.00 C ATOM 784 OE1 GLN A 49 29.081 26.807 26.744 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.078 25.107 25.804 1.00 0.00 N ATOM 0 H GLN A 49 24.458 26.005 24.580 1.00 0.00 H new ATOM 0 HA GLN A 49 26.517 27.256 22.872 1.00 0.00 H new ATOM 0 HB2 GLN A 49 26.675 27.170 25.365 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.740 25.421 25.283 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.760 25.677 23.699 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.752 27.387 24.085 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.216 24.524 24.979 1.00 0.00 H new ATOM 0 HE22 GLN A 49 30.590 24.905 26.663 1.00 0.00 H new ATOM 794 N LEU A 50 26.961 25.295 21.417 1.00 0.00 N ATOM 795 CA LEU A 50 27.250 24.118 20.546 1.00 0.00 C ATOM 796 C LEU A 50 28.186 23.146 21.274 1.00 0.00 C ATOM 797 O LEU A 50 29.293 23.491 21.636 1.00 0.00 O ATOM 798 CB LEU A 50 27.900 24.603 19.247 1.00 0.00 C ATOM 799 CG LEU A 50 27.052 25.721 18.626 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.669 26.139 17.288 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.615 25.229 18.398 1.00 0.00 C ATOM 0 H LEU A 50 27.150 26.204 20.995 1.00 0.00 H new ATOM 0 HA LEU A 50 26.321 23.597 20.314 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.907 24.967 19.448 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.995 23.774 18.546 1.00 0.00 H new ATOM 0 HG LEU A 50 27.030 26.574 19.304 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.070 26.933 16.843 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.684 26.499 17.452 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.693 25.282 16.615 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.022 26.030 17.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.626 24.373 17.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.176 24.935 19.351 1.00 0.00 H new ATOM 813 N GLU A 51 27.747 21.928 21.495 1.00 0.00 N ATOM 814 CA GLU A 51 28.601 20.925 22.203 1.00 0.00 C ATOM 815 C GLU A 51 29.412 20.118 21.183 1.00 0.00 C ATOM 816 O GLU A 51 29.238 20.252 19.991 1.00 0.00 O ATOM 817 CB GLU A 51 27.704 19.974 23.003 1.00 0.00 C ATOM 818 CG GLU A 51 27.075 20.728 24.178 1.00 0.00 C ATOM 819 CD GLU A 51 26.002 19.854 24.830 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.028 19.549 24.163 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.174 19.503 25.986 1.00 0.00 O ATOM 0 H GLU A 51 26.828 21.586 21.213 1.00 0.00 H new ATOM 0 HA GLU A 51 29.284 21.444 22.875 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.924 19.566 22.360 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.288 19.130 23.370 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.841 20.988 24.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.636 21.663 23.830 1.00 0.00 H new ATOM 828 N ASP A 52 30.310 19.288 21.649 1.00 0.00 N ATOM 829 CA ASP A 52 31.157 18.478 20.715 1.00 0.00 C ATOM 830 C ASP A 52 30.545 17.088 20.485 1.00 0.00 C ATOM 831 O ASP A 52 29.918 16.521 21.359 1.00 0.00 O ATOM 832 CB ASP A 52 32.548 18.304 21.329 1.00 0.00 C ATOM 833 CG ASP A 52 33.248 19.661 21.414 1.00 0.00 C ATOM 834 OD1 ASP A 52 33.004 20.487 20.550 1.00 0.00 O ATOM 835 OD2 ASP A 52 34.016 19.850 22.342 1.00 0.00 O ATOM 0 H ASP A 52 30.495 19.134 22.640 1.00 0.00 H new ATOM 0 HA ASP A 52 31.217 19.000 19.760 1.00 0.00 H new ATOM 0 HB2 ASP A 52 32.465 17.864 22.323 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.139 17.616 20.725 1.00 0.00 H new ATOM 840 N GLY A 53 30.755 16.526 19.320 1.00 0.00 N ATOM 841 CA GLY A 53 30.229 15.157 19.025 1.00 0.00 C ATOM 842 C GLY A 53 28.810 15.217 18.451 1.00 0.00 C ATOM 843 O GLY A 53 28.291 14.227 17.971 1.00 0.00 O ATOM 0 H GLY A 53 31.272 16.960 18.555 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.889 14.656 18.317 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.229 14.561 19.937 1.00 0.00 H new ATOM 847 N ARG A 54 28.168 16.354 18.495 1.00 0.00 N ATOM 848 CA ARG A 54 26.774 16.455 17.952 1.00 0.00 C ATOM 849 C ARG A 54 26.823 16.998 16.509 1.00 0.00 C ATOM 850 O ARG A 54 27.876 17.351 16.010 1.00 0.00 O ATOM 851 CB ARG A 54 25.966 17.417 18.834 1.00 0.00 C ATOM 852 CG ARG A 54 25.537 16.741 20.145 1.00 0.00 C ATOM 853 CD ARG A 54 24.381 15.718 19.905 1.00 0.00 C ATOM 854 NE ARG A 54 23.284 15.870 20.932 1.00 0.00 N ATOM 855 CZ ARG A 54 23.533 16.203 22.183 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.542 16.486 22.974 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.752 16.206 22.660 1.00 0.00 N ATOM 0 H ARG A 54 28.545 17.219 18.882 1.00 0.00 H new ATOM 0 HA ARG A 54 26.304 15.471 17.951 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.565 18.300 19.056 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.084 17.758 18.292 1.00 0.00 H new ATOM 0 HG2 ARG A 54 26.391 16.230 20.589 1.00 0.00 H new ATOM 0 HG3 ARG A 54 25.213 17.499 20.858 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.968 15.862 18.906 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.778 14.704 19.943 1.00 0.00 H new ATOM 0 HE ARG A 54 22.318 15.710 20.648 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.584 16.449 22.625 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.722 16.745 23.944 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.535 15.947 22.060 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.919 16.468 23.632 1.00 0.00 H new ATOM 871 N THR A 55 25.693 17.053 15.830 1.00 0.00 N ATOM 872 CA THR A 55 25.671 17.557 14.408 1.00 0.00 C ATOM 873 C THR A 55 24.859 18.852 14.297 1.00 0.00 C ATOM 874 O THR A 55 23.954 19.099 15.066 1.00 0.00 O ATOM 875 CB THR A 55 25.027 16.497 13.507 1.00 0.00 C ATOM 876 OG1 THR A 55 23.818 16.046 14.100 1.00 0.00 O ATOM 877 CG2 THR A 55 25.986 15.321 13.331 1.00 0.00 C ATOM 0 H THR A 55 24.785 16.771 16.199 1.00 0.00 H new ATOM 0 HA THR A 55 26.697 17.755 14.098 1.00 0.00 H new ATOM 0 HB THR A 55 24.811 16.931 12.531 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.404 15.369 13.525 1.00 0.00 H new ATOM 0 HG21 THR A 55 25.526 14.569 12.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 26.911 15.671 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 55 26.207 14.883 14.304 1.00 0.00 H new ATOM 885 N LEU A 56 25.183 19.678 13.334 1.00 0.00 N ATOM 886 CA LEU A 56 24.433 20.962 13.158 1.00 0.00 C ATOM 887 C LEU A 56 22.938 20.667 12.958 1.00 0.00 C ATOM 888 O LEU A 56 22.088 21.355 13.487 1.00 0.00 O ATOM 889 CB LEU A 56 24.982 21.714 11.926 1.00 0.00 C ATOM 890 CG LEU A 56 26.156 22.613 12.332 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.288 21.757 12.902 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.663 23.375 11.104 1.00 0.00 C ATOM 0 H LEU A 56 25.934 19.520 12.662 1.00 0.00 H new ATOM 0 HA LEU A 56 24.561 21.579 14.047 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.307 20.999 11.170 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.192 22.316 11.477 1.00 0.00 H new ATOM 0 HG LEU A 56 25.822 23.321 13.090 1.00 0.00 H new ATOM 0 HD11 LEU A 56 28.121 22.399 13.189 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.929 21.215 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.622 21.046 12.147 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.498 24.014 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.994 22.665 10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 25.858 23.989 10.699 1.00 0.00 H new ATOM 904 N SER A 57 22.611 19.658 12.199 1.00 0.00 N ATOM 905 CA SER A 57 21.172 19.337 11.974 1.00 0.00 C ATOM 906 C SER A 57 20.500 19.054 13.319 1.00 0.00 C ATOM 907 O SER A 57 19.300 19.178 13.466 1.00 0.00 O ATOM 908 CB SER A 57 21.054 18.105 11.074 1.00 0.00 C ATOM 909 OG SER A 57 19.692 17.911 10.718 1.00 0.00 O ATOM 0 H SER A 57 23.274 19.044 11.726 1.00 0.00 H new ATOM 0 HA SER A 57 20.682 20.183 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.661 18.236 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.435 17.225 11.592 1.00 0.00 H new ATOM 0 HG SER A 57 19.614 17.123 10.140 1.00 0.00 H new ATOM 915 N ASP A 58 21.270 18.664 14.298 1.00 0.00 N ATOM 916 CA ASP A 58 20.682 18.359 15.633 1.00 0.00 C ATOM 917 C ASP A 58 20.071 19.631 16.220 1.00 0.00 C ATOM 918 O ASP A 58 19.283 19.582 17.144 1.00 0.00 O ATOM 919 CB ASP A 58 21.773 17.835 16.570 1.00 0.00 C ATOM 920 CG ASP A 58 21.131 17.315 17.857 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.692 18.133 18.650 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.090 16.109 18.030 1.00 0.00 O ATOM 0 H ASP A 58 22.281 18.543 14.231 1.00 0.00 H new ATOM 0 HA ASP A 58 19.908 17.599 15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.334 17.038 16.083 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.483 18.630 16.800 1.00 0.00 H new ATOM 927 N TYR A 59 20.437 20.772 15.695 1.00 0.00 N ATOM 928 CA TYR A 59 19.895 22.064 16.219 1.00 0.00 C ATOM 929 C TYR A 59 18.819 22.613 15.273 1.00 0.00 C ATOM 930 O TYR A 59 18.304 23.692 15.484 1.00 0.00 O ATOM 931 CB TYR A 59 21.048 23.080 16.321 1.00 0.00 C ATOM 932 CG TYR A 59 21.738 22.948 17.661 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.037 22.433 17.739 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.076 23.360 18.824 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.673 22.332 18.984 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.710 23.254 20.066 1.00 0.00 C ATOM 937 CZ TYR A 59 23.009 22.742 20.146 1.00 0.00 C ATOM 938 OH TYR A 59 23.640 22.645 21.370 1.00 0.00 O ATOM 0 H TYR A 59 21.093 20.866 14.920 1.00 0.00 H new ATOM 0 HA TYR A 59 19.449 21.897 17.199 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.764 22.912 15.516 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.663 24.092 16.199 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.548 22.114 16.842 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.075 23.760 18.762 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.676 21.937 19.047 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.197 23.567 20.963 1.00 0.00 H new ATOM 0 HH TYR A 59 24.600 22.504 21.233 1.00 0.00 H new ATOM 948 N ASN A 60 18.472 21.899 14.236 1.00 0.00 N ATOM 949 CA ASN A 60 17.430 22.421 13.306 1.00 0.00 C ATOM 950 C ASN A 60 17.833 23.818 12.822 1.00 0.00 C ATOM 951 O ASN A 60 17.032 24.730 12.786 1.00 0.00 O ATOM 952 CB ASN A 60 16.085 22.491 14.032 1.00 0.00 C ATOM 953 CG ASN A 60 15.819 21.161 14.740 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.229 20.966 15.867 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.145 20.229 14.122 1.00 0.00 N ATOM 0 H ASN A 60 18.860 20.987 13.994 1.00 0.00 H new ATOM 0 HA ASN A 60 17.339 21.755 12.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.092 23.306 14.756 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.286 22.703 13.321 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.963 19.339 14.585 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.800 20.391 13.176 1.00 0.00 H new ATOM 962 N ILE A 61 19.074 23.987 12.447 1.00 0.00 N ATOM 963 CA ILE A 61 19.542 25.319 11.960 1.00 0.00 C ATOM 964 C ILE A 61 18.952 25.582 10.567 1.00 0.00 C ATOM 965 O ILE A 61 18.314 24.726 9.988 1.00 0.00 O ATOM 966 CB ILE A 61 21.079 25.311 11.917 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.609 25.261 13.354 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.607 26.574 11.226 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.111 24.969 13.343 1.00 0.00 C ATOM 0 H ILE A 61 19.786 23.257 12.457 1.00 0.00 H new ATOM 0 HA ILE A 61 19.211 26.115 12.628 1.00 0.00 H new ATOM 0 HB ILE A 61 21.417 24.441 11.354 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.417 26.210 13.855 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.084 24.491 13.918 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.697 26.549 11.206 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.226 26.617 10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.274 27.455 11.775 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.482 24.935 14.367 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.292 24.009 12.859 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.630 25.755 12.795 1.00 0.00 H new ATOM 981 N GLN A 62 19.154 26.761 10.026 1.00 0.00 N ATOM 982 CA GLN A 62 18.602 27.084 8.671 1.00 0.00 C ATOM 983 C GLN A 62 19.654 27.839 7.847 1.00 0.00 C ATOM 984 O GLN A 62 20.406 28.648 8.359 1.00 0.00 O ATOM 985 CB GLN A 62 17.350 27.947 8.836 1.00 0.00 C ATOM 986 CG GLN A 62 16.325 27.187 9.681 1.00 0.00 C ATOM 987 CD GLN A 62 15.033 27.998 9.782 1.00 0.00 C ATOM 988 OE1 GLN A 62 14.943 28.924 10.564 1.00 0.00 O ATOM 989 NE2 GLN A 62 14.021 27.688 9.019 1.00 0.00 N ATOM 0 H GLN A 62 19.679 27.516 10.467 1.00 0.00 H new ATOM 0 HA GLN A 62 18.344 26.162 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.605 28.892 9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.928 28.188 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.121 26.214 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.727 27.001 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 62 14.096 26.911 8.363 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.155 28.223 9.079 1.00 0.00 H new ATOM 998 N LYS A 63 19.723 27.559 6.574 1.00 0.00 N ATOM 999 CA LYS A 63 20.734 28.232 5.710 1.00 0.00 C ATOM 1000 C LYS A 63 20.637 29.755 5.842 1.00 0.00 C ATOM 1001 O LYS A 63 19.577 30.313 6.049 1.00 0.00 O ATOM 1002 CB LYS A 63 20.508 27.827 4.250 1.00 0.00 C ATOM 1003 CG LYS A 63 19.093 28.213 3.810 1.00 0.00 C ATOM 1004 CD LYS A 63 18.835 27.666 2.403 1.00 0.00 C ATOM 1005 CE LYS A 63 17.401 27.986 1.978 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.277 29.444 1.695 1.00 0.00 N ATOM 0 H LYS A 63 19.120 26.891 6.094 1.00 0.00 H new ATOM 0 HA LYS A 63 21.728 27.921 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.242 28.317 3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.652 26.753 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.360 27.811 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 63 18.980 29.297 3.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.540 28.105 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 63 18.997 26.588 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.136 27.409 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.705 27.698 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.358 29.634 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.345 29.977 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.042 29.740 1.055 1.00 0.00 H new ATOM 1020 N GLU A 64 21.751 30.424 5.708 1.00 0.00 N ATOM 1021 CA GLU A 64 21.776 31.913 5.805 1.00 0.00 C ATOM 1022 C GLU A 64 21.465 32.365 7.238 1.00 0.00 C ATOM 1023 O GLU A 64 21.247 33.534 7.487 1.00 0.00 O ATOM 1024 CB GLU A 64 20.756 32.519 4.828 1.00 0.00 C ATOM 1025 CG GLU A 64 21.178 33.949 4.462 1.00 0.00 C ATOM 1026 CD GLU A 64 20.112 34.593 3.575 1.00 0.00 C ATOM 1027 OE1 GLU A 64 20.035 34.228 2.414 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.392 35.444 4.072 1.00 0.00 O ATOM 0 H GLU A 64 22.659 29.995 5.533 1.00 0.00 H new ATOM 0 HA GLU A 64 22.774 32.262 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.691 31.907 3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.764 32.526 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 64 21.316 34.540 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 64 22.136 33.933 3.942 1.00 0.00 H new HETATM 1035 N SEP A 65 21.469 31.469 8.187 1.00 0.00 N HETATM 1036 CA SEP A 65 21.204 31.889 9.591 1.00 0.00 C HETATM 1037 CB SEP A 65 20.790 30.673 10.422 1.00 0.00 C HETATM 1038 OG SEP A 65 19.447 30.324 10.109 1.00 0.00 O HETATM 1039 C SEP A 65 22.493 32.488 10.159 1.00 0.00 C HETATM 1040 O SEP A 65 23.575 32.170 9.701 1.00 0.00 O HETATM 1041 P SEP A 65 18.278 31.131 10.699 1.00 0.00 P HETATM 1042 O1P SEP A 65 17.508 30.126 11.622 1.00 0.00 O HETATM 1043 O2P SEP A 65 18.942 32.313 11.487 1.00 0.00 O HETATM 1044 O3P SEP A 65 17.438 31.606 9.464 1.00 0.00 O HETATM 0 HB3 SEP A 65 21.454 29.834 10.215 1.00 0.00 H new HETATM 0 HB2 SEP A 65 20.881 30.896 11.485 1.00 0.00 H new HETATM 0 HA SEP A 65 20.400 32.624 9.622 1.00 0.00 H new HETATM 0 H SEP A 65 21.362 30.491 7.918 1.00 0.00 H new HETATM 1049 N TPO A 66 22.396 33.365 11.133 1.00 0.00 N HETATM 1050 CA TPO A 66 23.633 33.995 11.707 1.00 0.00 C HETATM 1051 CB TPO A 66 23.445 35.509 11.818 1.00 0.00 C HETATM 1052 CG2 TPO A 66 22.922 36.073 10.496 1.00 0.00 C HETATM 1053 OG1 TPO A 66 22.520 35.797 12.859 1.00 0.00 O HETATM 1054 P TPO A 66 22.535 37.171 13.549 1.00 0.00 P HETATM 1055 O1P TPO A 66 22.223 38.206 12.415 1.00 0.00 O HETATM 1056 O2P TPO A 66 21.418 37.097 14.644 1.00 0.00 O HETATM 1057 O3P TPO A 66 23.977 37.320 14.143 1.00 0.00 O HETATM 1058 C TPO A 66 23.926 33.437 13.101 1.00 0.00 C HETATM 1059 O TPO A 66 23.070 33.396 13.963 1.00 0.00 O HETATM 0 HG23 TPO A 66 23.637 35.859 9.701 1.00 0.00 H new HETATM 0 HG22 TPO A 66 21.964 35.611 10.257 1.00 0.00 H new HETATM 0 HG21 TPO A 66 22.792 37.151 10.587 1.00 0.00 H new HETATM 0 HB TPO A 66 24.406 35.971 12.044 1.00 0.00 H new HETATM 0 HA TPO A 66 24.467 33.768 11.043 1.00 0.00 H new HETATM 0 H TPO A 66 21.596 33.947 10.884 1.00 0.00 H new ATOM 1066 N LEU A 67 25.145 33.015 13.326 1.00 0.00 N ATOM 1067 CA LEU A 67 25.528 32.464 14.660 1.00 0.00 C ATOM 1068 C LEU A 67 26.171 33.578 15.491 1.00 0.00 C ATOM 1069 O LEU A 67 26.777 34.487 14.959 1.00 0.00 O ATOM 1070 CB LEU A 67 26.546 31.335 14.471 1.00 0.00 C ATOM 1071 CG LEU A 67 25.833 30.063 14.003 1.00 0.00 C ATOM 1072 CD1 LEU A 67 25.228 30.284 12.612 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.845 28.915 13.944 1.00 0.00 C ATOM 0 H LEU A 67 25.896 33.029 12.636 1.00 0.00 H new ATOM 0 HA LEU A 67 24.643 32.080 15.167 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.298 31.631 13.740 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.070 31.145 15.408 1.00 0.00 H new ATOM 0 HG LEU A 67 25.034 29.817 14.702 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.723 29.375 12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.510 31.103 12.653 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.020 30.532 11.906 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.345 28.006 13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.641 29.168 13.244 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.270 28.754 14.935 1.00 0.00 H new ATOM 1085 N HIS A 68 26.057 33.510 16.794 1.00 0.00 N ATOM 1086 CA HIS A 68 26.676 34.561 17.660 1.00 0.00 C ATOM 1087 C HIS A 68 28.011 34.045 18.187 1.00 0.00 C ATOM 1088 O HIS A 68 28.098 32.934 18.676 1.00 0.00 O ATOM 1089 CB HIS A 68 25.764 34.852 18.852 1.00 0.00 C ATOM 1090 CG HIS A 68 24.334 34.894 18.392 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.604 33.743 18.133 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.484 35.943 18.138 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.372 34.123 17.742 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.250 35.451 17.729 1.00 0.00 N ATOM 0 H HIS A 68 25.562 32.772 17.296 1.00 0.00 H new ATOM 0 HA HIS A 68 26.820 35.470 17.076 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.889 34.084 19.615 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.038 35.803 19.309 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.736 36.988 18.240 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.582 33.438 17.473 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.424 35.992 17.473 1.00 0.00 H new ATOM 1103 N LEU A 69 29.047 34.839 18.099 1.00 0.00 N ATOM 1104 CA LEU A 69 30.382 34.392 18.604 1.00 0.00 C ATOM 1105 C LEU A 69 30.713 35.135 19.900 1.00 0.00 C ATOM 1106 O LEU A 69 30.919 36.334 19.907 1.00 0.00 O ATOM 1107 CB LEU A 69 31.455 34.689 17.541 1.00 0.00 C ATOM 1108 CG LEU A 69 32.650 33.741 17.713 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.736 34.108 16.700 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.215 33.865 19.133 1.00 0.00 C ATOM 0 H LEU A 69 29.027 35.777 17.700 1.00 0.00 H new ATOM 0 HA LEU A 69 30.359 33.320 18.803 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.031 34.573 16.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.787 35.724 17.628 1.00 0.00 H new ATOM 0 HG LEU A 69 32.322 32.715 17.547 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.587 33.437 16.819 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.338 34.014 15.690 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.058 35.136 16.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.063 33.189 19.248 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.542 34.890 19.306 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.442 33.604 19.856 1.00 0.00 H new ATOM 1122 N VAL A 70 30.777 34.422 20.996 1.00 0.00 N ATOM 1123 CA VAL A 70 31.107 35.056 22.309 1.00 0.00 C ATOM 1124 C VAL A 70 32.516 34.623 22.717 1.00 0.00 C ATOM 1125 O VAL A 70 32.970 33.553 22.359 1.00 0.00 O ATOM 1126 CB VAL A 70 30.103 34.586 23.364 1.00 0.00 C ATOM 1127 CG1 VAL A 70 30.425 35.244 24.707 1.00 0.00 C ATOM 1128 CG2 VAL A 70 28.689 34.981 22.930 1.00 0.00 C ATOM 0 H VAL A 70 30.613 33.416 21.037 1.00 0.00 H new ATOM 0 HA VAL A 70 31.059 36.142 22.226 1.00 0.00 H new ATOM 0 HB VAL A 70 30.165 33.503 23.467 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.709 34.908 25.457 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.432 34.966 25.016 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.363 36.327 24.605 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.972 34.647 23.680 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.629 36.065 22.827 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.458 34.513 21.973 1.00 0.00 H new ATOM 1138 N LEU A 71 33.219 35.441 23.450 1.00 0.00 N ATOM 1139 CA LEU A 71 34.602 35.065 23.863 1.00 0.00 C ATOM 1140 C LEU A 71 34.549 34.195 25.124 1.00 0.00 C ATOM 1141 O LEU A 71 34.206 33.029 25.071 1.00 0.00 O ATOM 1142 CB LEU A 71 35.408 36.340 24.144 1.00 0.00 C ATOM 1143 CG LEU A 71 35.871 36.963 22.822 1.00 0.00 C ATOM 1144 CD1 LEU A 71 34.666 37.165 21.899 1.00 0.00 C ATOM 1145 CD2 LEU A 71 36.532 38.314 23.103 1.00 0.00 C ATOM 0 H LEU A 71 32.898 36.351 23.781 1.00 0.00 H new ATOM 0 HA LEU A 71 35.081 34.500 23.064 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.797 37.053 24.698 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.270 36.106 24.768 1.00 0.00 H new ATOM 0 HG LEU A 71 36.588 36.299 22.338 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.997 37.608 20.960 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.195 36.202 21.700 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.947 37.829 22.379 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.862 38.760 22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.814 38.977 23.587 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.391 38.170 23.758 1.00 0.00 H new ATOM 1157 N ARG A 72 34.894 34.751 26.255 1.00 0.00 N ATOM 1158 CA ARG A 72 34.874 33.958 27.520 1.00 0.00 C ATOM 1159 C ARG A 72 33.455 33.955 28.107 1.00 0.00 C ATOM 1160 O ARG A 72 32.666 33.078 27.819 1.00 0.00 O ATOM 1161 CB ARG A 72 35.866 34.578 28.518 1.00 0.00 C ATOM 1162 CG ARG A 72 37.315 34.361 28.007 1.00 0.00 C ATOM 1163 CD ARG A 72 38.284 35.469 28.511 1.00 0.00 C ATOM 1164 NE ARG A 72 39.145 34.909 29.602 1.00 0.00 N ATOM 1165 CZ ARG A 72 40.368 35.359 29.790 1.00 0.00 C ATOM 1166 NH1 ARG A 72 41.047 34.965 30.827 1.00 0.00 N ATOM 1167 NH2 ARG A 72 40.926 36.171 28.929 1.00 0.00 N ATOM 0 H ARG A 72 35.189 35.722 26.358 1.00 0.00 H new ATOM 0 HA ARG A 72 35.167 32.928 27.317 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.665 35.643 28.633 1.00 0.00 H new ATOM 0 HB3 ARG A 72 35.743 34.122 29.500 1.00 0.00 H new ATOM 0 HG2 ARG A 72 37.674 33.387 28.339 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.317 34.347 26.917 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.904 35.828 27.690 1.00 0.00 H new ATOM 0 HD3 ARG A 72 37.718 36.324 28.880 1.00 0.00 H new ATOM 0 HE ARG A 72 38.780 34.172 30.205 1.00 0.00 H new ATOM 0 HH11 ARG A 72 40.632 34.310 31.490 1.00 0.00 H new ATOM 0 HH12 ARG A 72 41.995 35.311 30.977 1.00 0.00 H new ATOM 0 HH21 ARG A 72 40.413 36.464 28.098 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.874 36.511 29.089 1.00 0.00 H new ATOM 1181 N LEU A 73 33.116 34.915 28.931 1.00 0.00 N ATOM 1182 CA LEU A 73 31.743 34.928 29.516 1.00 0.00 C ATOM 1183 C LEU A 73 31.396 36.323 30.035 1.00 0.00 C ATOM 1184 O LEU A 73 32.242 37.189 30.147 1.00 0.00 O ATOM 1185 CB LEU A 73 31.677 33.921 30.670 1.00 0.00 C ATOM 1186 CG LEU A 73 32.674 34.312 31.799 1.00 0.00 C ATOM 1187 CD1 LEU A 73 31.940 35.034 32.943 1.00 0.00 C ATOM 1188 CD2 LEU A 73 33.337 33.051 32.371 1.00 0.00 C ATOM 0 H LEU A 73 33.724 35.681 29.221 1.00 0.00 H new ATOM 0 HA LEU A 73 31.025 34.655 28.742 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.664 33.884 31.070 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.911 32.922 30.301 1.00 0.00 H new ATOM 0 HG LEU A 73 33.426 34.974 31.371 1.00 0.00 H new ATOM 0 HD11 LEU A 73 32.654 35.299 33.723 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.469 35.939 32.559 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.177 34.376 33.358 1.00 0.00 H new ATOM 0 HD21 LEU A 73 34.034 33.332 33.161 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.572 32.391 32.780 1.00 0.00 H new ATOM 0 HD23 LEU A 73 33.877 32.533 31.579 1.00 0.00 H new ATOM 1200 N ARG A 74 30.150 36.538 30.364 1.00 0.00 N ATOM 1201 CA ARG A 74 29.731 37.867 30.890 1.00 0.00 C ATOM 1202 C ARG A 74 28.321 37.758 31.481 1.00 0.00 C ATOM 1203 O ARG A 74 27.831 38.678 32.104 1.00 0.00 O ATOM 1204 CB ARG A 74 29.739 38.896 29.754 1.00 0.00 C ATOM 1205 CG ARG A 74 28.769 38.455 28.642 1.00 0.00 C ATOM 1206 CD ARG A 74 28.887 39.416 27.434 1.00 0.00 C ATOM 1207 NE ARG A 74 27.550 39.705 26.832 1.00 0.00 N ATOM 1208 CZ ARG A 74 26.570 40.212 27.540 1.00 0.00 C ATOM 1209 NH1 ARG A 74 25.411 40.407 26.983 1.00 0.00 N ATOM 1210 NH2 ARG A 74 26.748 40.542 28.792 1.00 0.00 N ATOM 0 H ARG A 74 29.403 35.847 30.290 1.00 0.00 H new ATOM 0 HA ARG A 74 30.425 38.187 31.667 1.00 0.00 H new ATOM 0 HB2 ARG A 74 29.448 39.875 30.136 1.00 0.00 H new ATOM 0 HB3 ARG A 74 30.747 38.998 29.351 1.00 0.00 H new ATOM 0 HG2 ARG A 74 28.997 37.435 28.331 1.00 0.00 H new ATOM 0 HG3 ARG A 74 27.746 38.453 29.018 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.353 40.348 27.753 1.00 0.00 H new ATOM 0 HD3 ARG A 74 29.539 38.976 26.680 1.00 0.00 H new ATOM 0 HE ARG A 74 27.396 39.502 25.844 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.270 40.166 26.002 1.00 0.00 H new ATOM 0 HH12 ARG A 74 24.643 40.801 27.527 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.659 40.406 29.231 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.976 40.935 29.330 1.00 0.00 H new ATOM 1224 N GLY A 75 27.664 36.643 31.289 1.00 0.00 N ATOM 1225 CA GLY A 75 26.288 36.487 31.844 1.00 0.00 C ATOM 1226 C GLY A 75 25.853 35.026 31.733 1.00 0.00 C ATOM 1227 O GLY A 75 25.070 34.539 32.528 1.00 0.00 O ATOM 0 H GLY A 75 28.020 35.838 30.774 1.00 0.00 H new ATOM 0 HA2 GLY A 75 26.267 36.805 32.886 1.00 0.00 H new ATOM 0 HA3 GLY A 75 25.592 37.127 31.302 1.00 0.00 H new ATOM 1231 N GLY A 76 26.350 34.319 30.758 1.00 0.00 N ATOM 1232 CA GLY A 76 25.963 32.887 30.598 1.00 0.00 C ATOM 1233 C GLY A 76 26.397 32.095 31.833 1.00 0.00 C ATOM 1234 O GLY A 76 25.753 32.238 32.858 1.00 0.00 O ATOM 1235 OXT GLY A 76 27.364 31.360 31.730 1.00 0.00 O ATOM 0 H GLY A 76 27.009 34.670 30.063 1.00 0.00 H new ATOM 0 HA2 GLY A 76 24.885 32.805 30.462 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.430 32.472 29.705 1.00 0.00 H new TER 1239 GLY A 76