USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 629 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 57 SER OG : rot 180:sc= 0.96 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.276 K(o=1.2,f=-0.14!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.662 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.688 K(o=1.4,f=0.049) USER MOD Set 3.1: A 7 THR OG1 : rot -84:sc= 0.756 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.15 (180deg=1.06) USER MOD Single : A 2 GLN : amide:sc= -0.425 X(o=-0.43,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 132:sc= -1.2 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.459 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0692 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 2.35 (180deg=1.53) USER MOD Single : A 31 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0112 K(o=-0.011,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 0.308 K(o=0.31,f=-0.86) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.25! K(o=-1.2!,f=-0.22) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 107:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0.217 K(o=0.22,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.418 30.898 16.557 1.00 0.00 N ATOM 2 CA MET A 1 13.823 31.166 17.956 1.00 0.00 C ATOM 3 C MET A 1 15.286 31.552 18.136 1.00 0.00 C ATOM 4 O MET A 1 16.211 31.230 17.393 1.00 0.00 O ATOM 5 CB MET A 1 13.336 30.038 18.861 1.00 0.00 C ATOM 6 CG MET A 1 13.839 28.617 18.621 1.00 0.00 C ATOM 7 SD MET A 1 13.181 27.331 19.716 1.00 0.00 S ATOM 8 CE MET A 1 13.984 25.905 18.937 1.00 0.00 C ATOM 0 H1 MET A 1 12.723 30.125 16.539 1.00 0.00 H new ATOM 0 H2 MET A 1 12.994 31.755 16.148 1.00 0.00 H new ATOM 0 H3 MET A 1 14.253 30.626 16.000 1.00 0.00 H new ATOM 0 HA MET A 1 13.320 32.079 18.276 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.591 30.307 19.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.248 30.015 18.799 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.606 28.342 17.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.925 28.620 18.712 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.705 24.995 19.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.664 25.830 17.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.066 26.031 18.976 1.00 0.00 H new ATOM 20 N GLN A 2 15.523 32.364 19.168 1.00 0.00 N ATOM 21 CA GLN A 2 16.864 32.628 19.651 1.00 0.00 C ATOM 22 C GLN A 2 17.307 31.555 20.647 1.00 0.00 C ATOM 23 O GLN A 2 16.517 31.127 21.484 1.00 0.00 O ATOM 24 CB GLN A 2 16.688 33.966 20.371 1.00 0.00 C ATOM 25 CG GLN A 2 16.450 35.088 19.350 1.00 0.00 C ATOM 26 CD GLN A 2 16.831 36.492 19.804 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.043 37.408 19.008 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.056 36.737 21.088 1.00 0.00 N ATOM 0 H GLN A 2 14.790 32.851 19.684 1.00 0.00 H new ATOM 0 HA GLN A 2 17.615 32.637 18.861 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.847 33.908 21.062 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.574 34.187 20.966 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.011 34.855 18.445 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.394 35.089 19.079 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.894 36.008 21.782 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.391 37.655 21.381 1.00 0.00 H new ATOM 37 N ILE A 3 18.622 31.353 20.720 1.00 0.00 N ATOM 38 CA ILE A 3 19.332 30.675 21.784 1.00 0.00 C ATOM 39 C ILE A 3 20.491 31.635 22.018 1.00 0.00 C ATOM 40 O ILE A 3 20.772 32.544 21.238 1.00 0.00 O ATOM 41 CB ILE A 3 19.593 29.196 21.484 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.472 28.867 20.280 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.293 28.396 21.416 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.620 27.382 19.944 1.00 0.00 C ATOM 0 H ILE A 3 19.252 31.682 19.988 1.00 0.00 H new ATOM 0 HA ILE A 3 18.800 30.515 22.722 1.00 0.00 H new ATOM 0 HB ILE A 3 20.193 28.891 22.342 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.065 29.378 19.407 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.465 29.280 20.456 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.519 27.352 21.201 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.773 28.466 22.371 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.658 28.799 20.627 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.265 27.269 19.073 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.061 26.859 20.793 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.639 26.959 19.727 1.00 0.00 H new ATOM 56 N PHE A 4 21.198 31.422 23.128 1.00 0.00 N ATOM 57 CA PHE A 4 22.168 32.333 23.691 1.00 0.00 C ATOM 58 C PHE A 4 23.454 31.553 24.020 1.00 0.00 C ATOM 59 O PHE A 4 23.537 30.967 25.102 1.00 0.00 O ATOM 60 CB PHE A 4 21.555 33.173 24.810 1.00 0.00 C ATOM 61 CG PHE A 4 20.584 34.274 24.444 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.068 35.467 23.889 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.211 34.073 24.676 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.132 36.445 23.534 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.349 35.141 24.430 1.00 0.00 C ATOM 66 CZ PHE A 4 18.764 36.285 23.745 1.00 0.00 C ATOM 0 H PHE A 4 21.098 30.568 23.677 1.00 0.00 H new ATOM 0 HA PHE A 4 22.475 33.092 22.971 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.042 32.493 25.491 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.373 33.627 25.369 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.126 35.626 23.741 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.838 33.124 25.032 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.484 37.359 23.079 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.329 35.082 24.780 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.052 37.017 23.393 1.00 0.00 H new ATOM 76 N VAL A 5 24.451 31.486 23.141 1.00 0.00 N ATOM 77 CA VAL A 5 25.631 30.643 23.289 1.00 0.00 C ATOM 78 C VAL A 5 26.592 31.584 24.018 1.00 0.00 C ATOM 79 O VAL A 5 27.059 32.555 23.443 1.00 0.00 O ATOM 80 CB VAL A 5 26.046 30.197 21.890 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.291 29.301 21.951 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.982 29.338 21.216 1.00 0.00 C ATOM 0 H VAL A 5 24.459 32.034 22.281 1.00 0.00 H new ATOM 0 HA VAL A 5 25.537 29.712 23.849 1.00 0.00 H new ATOM 0 HB VAL A 5 26.217 31.119 21.335 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.569 28.995 20.942 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.115 29.853 22.402 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.074 28.418 22.552 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.325 29.046 20.223 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.802 28.445 21.815 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.057 29.908 21.127 1.00 0.00 H new ATOM 92 N LYS A 6 26.869 31.282 25.284 1.00 0.00 N ATOM 93 CA LYS A 6 27.775 31.974 26.176 1.00 0.00 C ATOM 94 C LYS A 6 29.049 31.166 26.478 1.00 0.00 C ATOM 95 O LYS A 6 29.054 29.947 26.627 1.00 0.00 O ATOM 96 CB LYS A 6 27.022 32.199 27.484 1.00 0.00 C ATOM 97 CG LYS A 6 27.465 33.504 28.148 1.00 0.00 C ATOM 98 CD LYS A 6 26.393 33.960 29.129 1.00 0.00 C ATOM 99 CE LYS A 6 26.429 35.455 29.445 1.00 0.00 C ATOM 100 NZ LYS A 6 25.640 35.721 30.649 1.00 0.00 N ATOM 0 H LYS A 6 26.428 30.484 25.741 1.00 0.00 H new ATOM 0 HA LYS A 6 28.091 32.903 25.701 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.950 32.230 27.291 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.200 31.363 28.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.411 33.357 28.668 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.632 34.271 27.392 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.413 33.709 28.722 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.505 33.401 30.058 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.458 35.781 29.593 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.032 36.024 28.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.665 36.738 30.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.656 35.425 30.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.038 35.189 31.449 1.00 0.00 H new ATOM 114 N THR A 7 30.142 31.921 26.458 1.00 0.00 N ATOM 115 CA THR A 7 31.460 31.371 26.731 1.00 0.00 C ATOM 116 C THR A 7 31.560 31.442 28.257 1.00 0.00 C ATOM 117 O THR A 7 30.927 32.283 28.889 1.00 0.00 O ATOM 118 CB THR A 7 32.476 32.194 25.940 1.00 0.00 C ATOM 119 OG1 THR A 7 32.388 33.519 26.405 1.00 0.00 O ATOM 120 CG2 THR A 7 32.378 32.136 24.414 1.00 0.00 C ATOM 0 H THR A 7 30.138 32.920 26.254 1.00 0.00 H new ATOM 0 HA THR A 7 31.648 30.343 26.420 1.00 0.00 H new ATOM 0 HB THR A 7 33.452 31.744 26.124 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.657 33.980 25.943 1.00 0.00 H new ATOM 0 HG21 THR A 7 33.154 32.763 23.975 1.00 0.00 H new ATOM 0 HG22 THR A 7 32.510 31.107 24.080 1.00 0.00 H new ATOM 0 HG23 THR A 7 31.399 32.497 24.098 1.00 0.00 H new ATOM 128 N LEU A 8 32.334 30.568 28.905 1.00 0.00 N ATOM 129 CA LEU A 8 32.657 30.522 30.318 1.00 0.00 C ATOM 130 C LEU A 8 33.253 31.824 30.845 1.00 0.00 C ATOM 131 O LEU A 8 33.213 32.058 32.045 1.00 0.00 O ATOM 132 CB LEU A 8 33.513 29.315 30.677 1.00 0.00 C ATOM 133 CG LEU A 8 32.791 27.988 30.905 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.178 27.301 29.692 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.825 26.957 31.381 1.00 0.00 C ATOM 0 H LEU A 8 32.788 29.808 28.399 1.00 0.00 H new ATOM 0 HA LEU A 8 31.703 30.401 30.832 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.243 29.170 29.880 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.072 29.555 31.581 1.00 0.00 H new ATOM 0 HG LEU A 8 31.989 28.262 31.591 1.00 0.00 H new ATOM 0 HD11 LEU A 8 31.700 26.372 30.003 1.00 0.00 H new ATOM 0 HD12 LEU A 8 31.435 27.957 29.239 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.960 27.081 28.965 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.333 26.000 31.551 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.597 26.838 30.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.280 27.301 32.310 1.00 0.00 H new ATOM 147 N THR A 9 33.749 32.630 29.903 1.00 0.00 N ATOM 148 CA THR A 9 34.186 33.999 30.118 1.00 0.00 C ATOM 149 C THR A 9 33.145 35.081 29.819 1.00 0.00 C ATOM 150 O THR A 9 33.496 36.238 30.061 1.00 0.00 O ATOM 151 CB THR A 9 35.499 34.135 29.355 1.00 0.00 C ATOM 152 OG1 THR A 9 35.443 33.671 28.021 1.00 0.00 O ATOM 153 CG2 THR A 9 36.700 33.414 29.971 1.00 0.00 C ATOM 0 H THR A 9 33.859 32.329 28.935 1.00 0.00 H new ATOM 0 HA THR A 9 34.337 34.183 31.182 1.00 0.00 H new ATOM 0 HB THR A 9 35.640 35.215 29.405 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.318 33.791 27.596 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.580 33.576 29.349 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.885 33.805 30.971 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.491 32.346 30.032 1.00 0.00 H new ATOM 161 N GLY A 10 31.916 34.754 29.434 1.00 0.00 N ATOM 162 CA GLY A 10 30.830 35.721 29.481 1.00 0.00 C ATOM 163 C GLY A 10 30.476 36.334 28.123 1.00 0.00 C ATOM 164 O GLY A 10 29.467 37.026 28.027 1.00 0.00 O ATOM 0 H GLY A 10 31.650 33.832 29.088 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.944 35.236 29.890 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.101 36.522 30.169 1.00 0.00 H new ATOM 168 N LYS A 11 31.288 36.163 27.089 1.00 0.00 N ATOM 169 CA LYS A 11 31.024 36.796 25.813 1.00 0.00 C ATOM 170 C LYS A 11 29.993 35.886 25.141 1.00 0.00 C ATOM 171 O LYS A 11 29.969 34.667 25.328 1.00 0.00 O ATOM 172 CB LYS A 11 32.240 36.752 24.896 1.00 0.00 C ATOM 173 CG LYS A 11 33.491 37.325 25.566 1.00 0.00 C ATOM 174 CD LYS A 11 34.606 37.589 24.552 1.00 0.00 C ATOM 175 CE LYS A 11 35.646 38.605 25.028 1.00 0.00 C ATOM 176 NZ LYS A 11 36.571 38.988 23.945 1.00 0.00 N ATOM 0 H LYS A 11 32.133 35.592 27.113 1.00 0.00 H new ATOM 0 HA LYS A 11 30.724 37.832 25.969 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.430 35.721 24.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.027 37.314 23.986 1.00 0.00 H new ATOM 0 HG2 LYS A 11 33.237 38.253 26.077 1.00 0.00 H new ATOM 0 HG3 LYS A 11 33.848 36.630 26.326 1.00 0.00 H new ATOM 0 HD2 LYS A 11 35.108 36.648 24.325 1.00 0.00 H new ATOM 0 HD3 LYS A 11 34.162 37.946 23.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 35.140 39.494 25.406 1.00 0.00 H new ATOM 0 HE3 LYS A 11 36.213 38.184 25.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 37.261 39.678 24.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.072 38.144 23.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.033 39.413 23.163 1.00 0.00 H new ATOM 190 N THR A 12 28.953 36.488 24.570 1.00 0.00 N ATOM 191 CA THR A 12 27.719 35.796 24.295 1.00 0.00 C ATOM 192 C THR A 12 27.389 35.979 22.813 1.00 0.00 C ATOM 193 O THR A 12 27.291 37.088 22.294 1.00 0.00 O ATOM 194 CB THR A 12 26.588 36.390 25.137 1.00 0.00 C ATOM 195 OG1 THR A 12 26.883 36.320 26.516 1.00 0.00 O ATOM 196 CG2 THR A 12 25.265 35.669 24.922 1.00 0.00 C ATOM 0 H THR A 12 28.952 37.469 24.289 1.00 0.00 H new ATOM 0 HA THR A 12 27.825 34.739 24.539 1.00 0.00 H new ATOM 0 HB THR A 12 26.498 37.427 24.813 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.712 37.191 26.932 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.495 36.129 25.542 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.977 35.741 23.873 1.00 0.00 H new ATOM 0 HG23 THR A 12 25.374 34.620 25.197 1.00 0.00 H new ATOM 204 N ILE A 13 27.235 34.877 22.077 1.00 0.00 N ATOM 205 CA ILE A 13 26.704 34.855 20.730 1.00 0.00 C ATOM 206 C ILE A 13 25.211 34.549 20.762 1.00 0.00 C ATOM 207 O ILE A 13 24.796 33.522 21.294 1.00 0.00 O ATOM 208 CB ILE A 13 27.410 33.823 19.854 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.928 33.645 19.985 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.000 34.104 18.412 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.496 32.369 19.362 1.00 0.00 C ATOM 0 H ILE A 13 27.487 33.950 22.421 1.00 0.00 H new ATOM 0 HA ILE A 13 26.876 35.841 20.298 1.00 0.00 H new ATOM 0 HB ILE A 13 27.074 32.855 20.226 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.418 34.503 19.525 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.188 33.659 21.043 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.484 33.386 17.750 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.918 34.013 18.317 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.305 35.114 18.137 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.576 32.341 19.510 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.042 31.499 19.837 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.276 32.356 18.295 1.00 0.00 H new ATOM 223 N THR A 14 24.426 35.465 20.189 1.00 0.00 N ATOM 224 CA THR A 14 22.985 35.355 20.161 1.00 0.00 C ATOM 225 C THR A 14 22.644 34.742 18.796 1.00 0.00 C ATOM 226 O THR A 14 22.847 35.280 17.711 1.00 0.00 O ATOM 227 CB THR A 14 22.232 36.685 20.200 1.00 0.00 C ATOM 228 OG1 THR A 14 22.436 37.445 21.372 1.00 0.00 O ATOM 229 CG2 THR A 14 20.711 36.589 20.067 1.00 0.00 C ATOM 0 H THR A 14 24.784 36.304 19.732 1.00 0.00 H new ATOM 0 HA THR A 14 22.691 34.785 21.042 1.00 0.00 H new ATOM 0 HB THR A 14 22.668 37.166 19.324 1.00 0.00 H new ATOM 0 HG1 THR A 14 22.047 36.974 22.139 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.278 37.589 20.107 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.458 36.122 19.115 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.312 35.988 20.884 1.00 0.00 H new ATOM 237 N LEU A 15 22.137 33.514 18.854 1.00 0.00 N ATOM 238 CA LEU A 15 21.914 32.630 17.726 1.00 0.00 C ATOM 239 C LEU A 15 20.410 32.476 17.496 1.00 0.00 C ATOM 240 O LEU A 15 19.736 31.960 18.378 1.00 0.00 O ATOM 241 CB LEU A 15 22.351 31.185 18.012 1.00 0.00 C ATOM 242 CG LEU A 15 23.743 30.800 17.492 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.607 30.363 16.042 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.826 31.856 17.724 1.00 0.00 C ATOM 0 H LEU A 15 21.857 33.091 19.739 1.00 0.00 H new ATOM 0 HA LEU A 15 22.469 33.070 16.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.327 31.023 19.090 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.618 30.509 17.572 1.00 0.00 H new ATOM 0 HG LEU A 15 24.112 29.963 18.085 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.586 30.085 15.652 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.936 29.506 15.982 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.201 31.184 15.451 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.775 31.498 17.325 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.546 32.781 17.220 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.929 32.042 18.793 1.00 0.00 H new ATOM 256 N GLU A 16 19.984 32.945 16.325 1.00 0.00 N ATOM 257 CA GLU A 16 18.736 32.597 15.678 1.00 0.00 C ATOM 258 C GLU A 16 18.845 31.217 15.034 1.00 0.00 C ATOM 259 O GLU A 16 19.816 30.903 14.353 1.00 0.00 O ATOM 260 CB GLU A 16 18.455 33.631 14.584 1.00 0.00 C ATOM 261 CG GLU A 16 18.429 35.053 15.128 1.00 0.00 C ATOM 262 CD GLU A 16 19.539 36.016 14.748 1.00 0.00 C ATOM 263 OE1 GLU A 16 20.215 35.867 13.714 1.00 0.00 O ATOM 264 OE2 GLU A 16 19.716 37.059 15.416 1.00 0.00 O ATOM 0 H GLU A 16 20.533 33.611 15.781 1.00 0.00 H new ATOM 0 HA GLU A 16 17.934 32.585 16.416 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.218 33.554 13.810 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.498 33.407 14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.485 35.504 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.411 34.987 16.216 1.00 0.00 H new ATOM 271 N VAL A 17 17.854 30.403 15.399 1.00 0.00 N ATOM 272 CA VAL A 17 17.536 29.027 15.096 1.00 0.00 C ATOM 273 C VAL A 17 16.055 28.736 14.839 1.00 0.00 C ATOM 274 O VAL A 17 15.201 29.399 15.426 1.00 0.00 O ATOM 275 CB VAL A 17 18.168 28.006 16.050 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.688 28.053 16.030 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.627 28.241 17.465 1.00 0.00 C ATOM 0 H VAL A 17 17.139 30.775 16.024 1.00 0.00 H new ATOM 0 HA VAL A 17 18.023 28.886 14.131 1.00 0.00 H new ATOM 0 HB VAL A 17 17.892 27.007 15.712 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.084 27.311 16.723 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.045 27.837 15.023 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.025 29.045 16.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.072 27.519 18.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.880 29.251 17.788 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.544 28.121 17.465 1.00 0.00 H new ATOM 287 N GLU A 18 15.820 27.639 14.131 1.00 0.00 N ATOM 288 CA GLU A 18 14.623 26.817 14.082 1.00 0.00 C ATOM 289 C GLU A 18 15.082 25.511 14.723 1.00 0.00 C ATOM 290 O GLU A 18 16.283 25.221 14.677 1.00 0.00 O ATOM 291 CB GLU A 18 14.375 26.663 12.578 1.00 0.00 C ATOM 292 CG GLU A 18 13.573 27.821 11.981 1.00 0.00 C ATOM 293 CD GLU A 18 12.106 27.695 12.347 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.537 26.615 12.114 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.555 28.702 12.850 1.00 0.00 O ATOM 0 H GLU A 18 16.541 27.266 13.513 1.00 0.00 H new ATOM 0 HA GLU A 18 13.723 27.183 14.576 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.333 26.589 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.843 25.729 12.397 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.965 28.770 12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.684 27.827 10.897 1.00 0.00 H new ATOM 302 N PRO A 19 14.202 24.657 15.258 1.00 0.00 N ATOM 303 CA PRO A 19 14.502 23.431 15.966 1.00 0.00 C ATOM 304 C PRO A 19 15.259 22.356 15.192 1.00 0.00 C ATOM 305 O PRO A 19 15.984 21.547 15.759 1.00 0.00 O ATOM 306 CB PRO A 19 13.125 22.987 16.453 1.00 0.00 C ATOM 307 CG PRO A 19 12.179 23.543 15.389 1.00 0.00 C ATOM 308 CD PRO A 19 12.810 24.859 14.935 1.00 0.00 C ATOM 0 HA PRO A 19 15.224 23.606 16.764 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.055 21.902 16.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.899 23.388 17.441 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.074 22.849 14.555 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.181 23.705 15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.661 25.036 13.870 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.390 25.715 15.462 1.00 0.00 H new ATOM 316 N SER A 20 15.099 22.501 13.876 1.00 0.00 N ATOM 317 CA SER A 20 15.528 21.701 12.758 1.00 0.00 C ATOM 318 C SER A 20 16.977 21.980 12.325 1.00 0.00 C ATOM 319 O SER A 20 17.454 21.321 11.412 1.00 0.00 O ATOM 320 CB SER A 20 14.556 21.911 11.593 1.00 0.00 C ATOM 321 OG SER A 20 14.283 23.264 11.341 1.00 0.00 O ATOM 0 H SER A 20 14.584 23.312 13.534 1.00 0.00 H new ATOM 0 HA SER A 20 15.516 20.658 13.075 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.972 21.457 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.622 21.392 11.809 1.00 0.00 H new ATOM 0 HG SER A 20 13.660 23.337 10.588 1.00 0.00 H new ATOM 327 N ASP A 21 17.621 22.936 12.981 1.00 0.00 N ATOM 328 CA ASP A 21 18.949 23.372 12.577 1.00 0.00 C ATOM 329 C ASP A 21 19.877 22.279 13.106 1.00 0.00 C ATOM 330 O ASP A 21 19.721 21.834 14.242 1.00 0.00 O ATOM 331 CB ASP A 21 19.375 24.694 13.214 1.00 0.00 C ATOM 332 CG ASP A 21 19.357 25.932 12.330 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.339 26.295 11.700 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.405 26.607 12.258 1.00 0.00 O ATOM 0 H ASP A 21 17.245 23.423 13.794 1.00 0.00 H new ATOM 0 HA ASP A 21 18.977 23.527 11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.726 24.881 14.069 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.386 24.571 13.602 1.00 0.00 H new ATOM 339 N THR A 22 20.845 21.838 12.311 1.00 0.00 N ATOM 340 CA THR A 22 21.810 20.817 12.669 1.00 0.00 C ATOM 341 C THR A 22 22.992 21.527 13.325 1.00 0.00 C ATOM 342 O THR A 22 23.032 22.758 13.361 1.00 0.00 O ATOM 343 CB THR A 22 22.158 20.142 11.334 1.00 0.00 C ATOM 344 OG1 THR A 22 22.521 21.032 10.310 1.00 0.00 O ATOM 345 CG2 THR A 22 21.092 19.208 10.762 1.00 0.00 C ATOM 0 H THR A 22 20.980 22.198 11.366 1.00 0.00 H new ATOM 0 HA THR A 22 21.464 20.064 13.377 1.00 0.00 H new ATOM 0 HB THR A 22 23.018 19.545 11.637 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.728 20.527 9.496 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.444 18.788 9.820 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.898 18.401 11.469 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.173 19.768 10.589 1.00 0.00 H new ATOM 353 N ILE A 23 23.955 20.797 13.881 1.00 0.00 N ATOM 354 CA ILE A 23 25.065 21.450 14.532 1.00 0.00 C ATOM 355 C ILE A 23 25.934 22.105 13.454 1.00 0.00 C ATOM 356 O ILE A 23 26.495 23.160 13.741 1.00 0.00 O ATOM 357 CB ILE A 23 25.703 20.352 15.392 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.830 19.653 16.430 1.00 0.00 C ATOM 359 CG2 ILE A 23 27.034 20.740 16.042 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.521 20.538 17.635 1.00 0.00 C ATOM 0 H ILE A 23 23.983 19.777 13.890 1.00 0.00 H new ATOM 0 HA ILE A 23 24.825 22.279 15.197 1.00 0.00 H new ATOM 0 HB ILE A 23 25.874 19.615 14.608 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.895 19.344 15.963 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.332 18.747 16.769 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.410 19.903 16.630 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.757 20.993 15.267 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.884 21.602 16.693 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.897 19.988 18.340 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.452 20.826 18.123 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.993 21.432 17.304 1.00 0.00 H new ATOM 372 N GLU A 24 26.051 21.500 12.274 1.00 0.00 N ATOM 373 CA GLU A 24 26.652 21.976 11.039 1.00 0.00 C ATOM 374 C GLU A 24 26.310 23.428 10.711 1.00 0.00 C ATOM 375 O GLU A 24 27.173 24.285 10.559 1.00 0.00 O ATOM 376 CB GLU A 24 26.298 20.998 9.918 1.00 0.00 C ATOM 377 CG GLU A 24 27.150 21.136 8.654 1.00 0.00 C ATOM 378 CD GLU A 24 26.700 20.067 7.657 1.00 0.00 C ATOM 379 OE1 GLU A 24 25.515 20.063 7.275 1.00 0.00 O ATOM 380 OE2 GLU A 24 27.563 19.312 7.169 1.00 0.00 O ATOM 0 H GLU A 24 25.683 20.557 12.151 1.00 0.00 H new ATOM 0 HA GLU A 24 27.735 21.996 11.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.397 19.981 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.251 21.137 9.650 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.034 22.131 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.207 21.013 8.892 1.00 0.00 H new ATOM 387 N ASN A 25 25.023 23.747 10.838 1.00 0.00 N ATOM 388 CA ASN A 25 24.437 25.063 10.716 1.00 0.00 C ATOM 389 C ASN A 25 24.742 26.046 11.848 1.00 0.00 C ATOM 390 O ASN A 25 25.081 27.211 11.662 1.00 0.00 O ATOM 391 CB ASN A 25 22.909 25.020 10.596 1.00 0.00 C ATOM 392 CG ASN A 25 22.297 24.797 9.223 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.172 25.729 8.432 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.979 23.538 8.932 1.00 0.00 N ATOM 0 H ASN A 25 24.321 23.036 11.043 1.00 0.00 H new ATOM 0 HA ASN A 25 24.915 25.424 9.805 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.547 24.229 11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.519 25.961 10.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.609 23.305 8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.105 22.806 9.631 1.00 0.00 H new ATOM 401 N VAL A 26 24.744 25.585 13.103 1.00 0.00 N ATOM 402 CA VAL A 26 24.934 26.420 14.268 1.00 0.00 C ATOM 403 C VAL A 26 26.433 26.646 14.469 1.00 0.00 C ATOM 404 O VAL A 26 26.846 27.683 14.973 1.00 0.00 O ATOM 405 CB VAL A 26 24.239 25.738 15.451 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.586 26.407 16.784 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.721 25.656 15.317 1.00 0.00 C ATOM 0 H VAL A 26 24.610 24.600 13.330 1.00 0.00 H new ATOM 0 HA VAL A 26 24.488 27.408 14.158 1.00 0.00 H new ATOM 0 HB VAL A 26 24.626 24.719 15.438 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.072 25.891 17.595 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.663 26.356 16.947 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.271 27.450 16.760 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.305 25.160 16.194 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.308 26.662 15.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.465 25.087 14.423 1.00 0.00 H new ATOM 417 N LYS A 27 27.310 25.800 13.937 1.00 0.00 N ATOM 418 CA LYS A 27 28.749 25.971 13.864 1.00 0.00 C ATOM 419 C LYS A 27 29.240 27.060 12.916 1.00 0.00 C ATOM 420 O LYS A 27 30.172 27.763 13.290 1.00 0.00 O ATOM 421 CB LYS A 27 29.389 24.632 13.491 1.00 0.00 C ATOM 422 CG LYS A 27 29.589 23.594 14.593 1.00 0.00 C ATOM 423 CD LYS A 27 29.898 22.190 14.068 1.00 0.00 C ATOM 424 CE LYS A 27 30.867 21.391 14.949 1.00 0.00 C ATOM 425 NZ LYS A 27 31.434 20.208 14.267 1.00 0.00 N ATOM 0 H LYS A 27 27.009 24.920 13.519 1.00 0.00 H new ATOM 0 HA LYS A 27 29.055 26.310 14.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.777 24.177 12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.364 24.841 13.050 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.404 23.917 15.241 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.690 23.552 15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.965 21.634 13.977 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.319 22.273 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.680 22.043 15.267 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.346 21.068 15.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.080 19.711 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.664 19.567 13.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.957 20.512 13.421 1.00 0.00 H new ATOM 439 N ALA A 28 28.545 27.024 11.779 1.00 0.00 N ATOM 440 CA ALA A 28 28.795 27.927 10.668 1.00 0.00 C ATOM 441 C ALA A 28 28.236 29.338 10.901 1.00 0.00 C ATOM 442 O ALA A 28 28.896 30.304 10.529 1.00 0.00 O ATOM 443 CB ALA A 28 28.085 27.462 9.397 1.00 0.00 C ATOM 0 H ALA A 28 27.789 26.361 11.607 1.00 0.00 H new ATOM 0 HA ALA A 28 29.881 27.934 10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.294 28.161 8.587 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.444 26.470 9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.010 27.423 9.574 1.00 0.00 H new ATOM 449 N LYS A 29 27.095 29.393 11.576 1.00 0.00 N ATOM 450 CA LYS A 29 26.510 30.577 12.180 1.00 0.00 C ATOM 451 C LYS A 29 27.456 31.164 13.226 1.00 0.00 C ATOM 452 O LYS A 29 27.823 32.333 13.126 1.00 0.00 O ATOM 453 CB LYS A 29 25.199 30.293 12.900 1.00 0.00 C ATOM 454 CG LYS A 29 24.132 30.353 11.796 1.00 0.00 C ATOM 455 CD LYS A 29 22.874 29.719 12.377 1.00 0.00 C ATOM 456 CE LYS A 29 21.705 29.575 11.417 1.00 0.00 C ATOM 457 NZ LYS A 29 20.427 29.421 12.120 1.00 0.00 N ATOM 0 H LYS A 29 26.522 28.562 11.724 1.00 0.00 H new ATOM 0 HA LYS A 29 26.331 31.265 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.215 29.316 13.383 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.006 31.031 13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 29 23.943 31.383 11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.462 29.816 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.131 28.731 12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.549 30.316 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.659 30.451 10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.870 28.711 10.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.654 29.759 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.275 28.418 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.445 29.977 12.999 1.00 0.00 H new ATOM 471 N ILE A 30 27.948 30.399 14.194 1.00 0.00 N ATOM 472 CA ILE A 30 28.916 30.841 15.182 1.00 0.00 C ATOM 473 C ILE A 30 30.221 31.332 14.558 1.00 0.00 C ATOM 474 O ILE A 30 30.625 32.412 14.982 1.00 0.00 O ATOM 475 CB ILE A 30 28.901 29.725 16.228 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.672 29.858 17.129 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.203 29.813 17.015 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.454 28.627 18.014 1.00 0.00 C ATOM 0 H ILE A 30 27.673 29.424 14.314 1.00 0.00 H new ATOM 0 HA ILE A 30 28.685 31.767 15.708 1.00 0.00 H new ATOM 0 HB ILE A 30 28.833 28.745 15.755 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.783 30.740 17.760 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.789 30.017 16.511 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.225 29.029 17.772 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.047 29.687 16.337 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.270 30.787 17.500 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.569 28.776 18.632 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.314 27.747 17.386 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.324 28.481 18.655 1.00 0.00 H new ATOM 490 N GLN A 31 30.785 30.603 13.605 1.00 0.00 N ATOM 491 CA GLN A 31 31.845 30.985 12.696 1.00 0.00 C ATOM 492 C GLN A 31 31.753 32.410 12.149 1.00 0.00 C ATOM 493 O GLN A 31 32.600 33.289 12.267 1.00 0.00 O ATOM 494 CB GLN A 31 32.203 29.885 11.692 1.00 0.00 C ATOM 495 CG GLN A 31 33.451 30.149 10.843 1.00 0.00 C ATOM 496 CD GLN A 31 33.156 30.741 9.471 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.047 31.188 8.765 1.00 0.00 O ATOM 498 NE2 GLN A 31 31.945 30.563 8.950 1.00 0.00 N ATOM 0 H GLN A 31 30.481 29.644 13.438 1.00 0.00 H new ATOM 0 HA GLN A 31 32.740 31.065 13.313 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.346 28.952 12.237 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.355 29.737 11.024 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.110 30.827 11.386 1.00 0.00 H new ATOM 0 HG3 GLN A 31 33.994 29.213 10.714 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.191 30.191 9.527 1.00 0.00 H new ATOM 0 HE22 GLN A 31 31.770 30.799 7.973 1.00 0.00 H new ATOM 507 N ASP A 32 30.650 32.557 11.423 1.00 0.00 N ATOM 508 CA ASP A 32 30.184 33.810 10.875 1.00 0.00 C ATOM 509 C ASP A 32 30.155 35.044 11.786 1.00 0.00 C ATOM 510 O ASP A 32 30.563 36.113 11.348 1.00 0.00 O ATOM 511 CB ASP A 32 28.918 33.497 10.078 1.00 0.00 C ATOM 512 CG ASP A 32 28.292 34.707 9.390 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.989 35.217 8.482 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.186 35.134 9.785 1.00 0.00 O ATOM 0 H ASP A 32 30.038 31.773 11.196 1.00 0.00 H new ATOM 0 HA ASP A 32 30.955 34.203 10.212 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.154 32.747 9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.181 33.054 10.748 1.00 0.00 H new ATOM 519 N LYS A 33 29.611 34.881 12.992 1.00 0.00 N ATOM 520 CA LYS A 33 29.206 35.929 13.903 1.00 0.00 C ATOM 521 C LYS A 33 30.380 36.416 14.743 1.00 0.00 C ATOM 522 O LYS A 33 30.379 37.601 15.074 1.00 0.00 O ATOM 523 CB LYS A 33 28.055 35.480 14.810 1.00 0.00 C ATOM 524 CG LYS A 33 26.736 35.317 14.058 1.00 0.00 C ATOM 525 CD LYS A 33 25.627 34.787 14.965 1.00 0.00 C ATOM 526 CE LYS A 33 24.407 34.164 14.287 1.00 0.00 C ATOM 527 NZ LYS A 33 23.538 35.199 13.683 1.00 0.00 N ATOM 0 H LYS A 33 29.434 33.952 13.374 1.00 0.00 H new ATOM 0 HA LYS A 33 28.850 36.759 13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.318 34.533 15.281 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.924 36.209 15.610 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.435 36.277 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.877 34.634 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.062 34.040 15.629 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.282 35.609 15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.734 33.466 13.516 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.837 33.589 15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.719 34.744 13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.207 35.850 14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.076 35.731 12.970 1.00 0.00 H new ATOM 541 N GLU A 34 31.196 35.451 15.145 1.00 0.00 N ATOM 542 CA GLU A 34 32.166 35.721 16.182 1.00 0.00 C ATOM 543 C GLU A 34 33.617 35.395 15.834 1.00 0.00 C ATOM 544 O GLU A 34 34.468 35.783 16.622 1.00 0.00 O ATOM 545 CB GLU A 34 31.567 34.990 17.383 1.00 0.00 C ATOM 546 CG GLU A 34 32.123 35.355 18.759 1.00 0.00 C ATOM 547 CD GLU A 34 31.800 36.799 19.113 1.00 0.00 C ATOM 548 OE1 GLU A 34 30.612 36.990 19.483 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.643 37.717 19.110 1.00 0.00 O ATOM 0 H GLU A 34 31.203 34.500 14.777 1.00 0.00 H new ATOM 0 HA GLU A 34 32.303 36.785 16.375 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.493 35.173 17.391 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.706 33.919 17.233 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.703 34.689 19.513 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.203 35.207 18.770 1.00 0.00 H new ATOM 556 N GLY A 35 33.905 34.641 14.767 1.00 0.00 N ATOM 557 CA GLY A 35 35.209 34.297 14.247 1.00 0.00 C ATOM 558 C GLY A 35 35.769 33.019 14.877 1.00 0.00 C ATOM 559 O GLY A 35 36.940 32.722 14.674 1.00 0.00 O ATOM 0 H GLY A 35 33.160 34.227 14.206 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.144 34.168 13.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.899 35.121 14.429 1.00 0.00 H new ATOM 563 N ILE A 36 34.954 32.130 15.438 1.00 0.00 N ATOM 564 CA ILE A 36 35.370 30.913 16.090 1.00 0.00 C ATOM 565 C ILE A 36 35.250 29.738 15.120 1.00 0.00 C ATOM 566 O ILE A 36 34.143 29.575 14.617 1.00 0.00 O ATOM 567 CB ILE A 36 34.470 30.646 17.302 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.399 31.882 18.192 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.837 29.440 18.160 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.253 31.812 19.205 1.00 0.00 C ATOM 0 H ILE A 36 33.942 32.253 15.445 1.00 0.00 H new ATOM 0 HA ILE A 36 36.406 31.020 16.412 1.00 0.00 H new ATOM 0 HB ILE A 36 33.502 30.406 16.861 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.343 31.997 18.724 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.275 32.768 17.569 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.131 29.352 18.986 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.799 28.536 17.552 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.844 29.568 18.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.249 32.717 19.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.304 31.726 18.676 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.389 30.943 19.849 1.00 0.00 H new ATOM 582 N PRO A 37 36.274 28.902 14.964 1.00 0.00 N ATOM 583 CA PRO A 37 36.280 27.844 13.968 1.00 0.00 C ATOM 584 C PRO A 37 35.403 26.682 14.427 1.00 0.00 C ATOM 585 O PRO A 37 35.096 26.597 15.622 1.00 0.00 O ATOM 586 CB PRO A 37 37.751 27.463 13.830 1.00 0.00 C ATOM 587 CG PRO A 37 38.429 27.879 15.139 1.00 0.00 C ATOM 588 CD PRO A 37 37.572 29.044 15.609 1.00 0.00 C ATOM 0 HA PRO A 37 35.866 28.148 13.006 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.861 26.392 13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.205 27.970 12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.439 27.066 15.865 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.465 28.178 14.980 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.467 29.033 16.694 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.033 29.995 15.343 1.00 0.00 H new ATOM 596 N PRO A 38 35.014 25.736 13.581 1.00 0.00 N ATOM 597 CA PRO A 38 34.093 24.705 14.011 1.00 0.00 C ATOM 598 C PRO A 38 34.655 23.642 14.960 1.00 0.00 C ATOM 599 O PRO A 38 34.016 23.332 15.959 1.00 0.00 O ATOM 600 CB PRO A 38 33.642 24.088 12.690 1.00 0.00 C ATOM 601 CG PRO A 38 34.872 24.274 11.804 1.00 0.00 C ATOM 602 CD PRO A 38 35.402 25.651 12.192 1.00 0.00 C ATOM 0 HA PRO A 38 33.300 25.138 14.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.377 23.037 12.802 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.767 24.595 12.282 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.614 23.496 11.983 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.612 24.230 10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.482 25.724 12.064 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.955 26.445 11.593 1.00 0.00 H new ATOM 610 N ASP A 39 35.821 23.054 14.693 1.00 0.00 N ATOM 611 CA ASP A 39 36.399 21.981 15.464 1.00 0.00 C ATOM 612 C ASP A 39 36.733 22.253 16.940 1.00 0.00 C ATOM 613 O ASP A 39 37.155 21.341 17.645 1.00 0.00 O ATOM 614 CB ASP A 39 37.637 21.313 14.843 1.00 0.00 C ATOM 615 CG ASP A 39 38.941 22.087 14.786 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.072 23.164 14.164 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.912 21.580 15.384 1.00 0.00 O ATOM 0 H ASP A 39 36.402 23.331 13.902 1.00 0.00 H new ATOM 0 HA ASP A 39 35.541 21.309 15.434 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.825 20.392 15.395 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.380 21.027 13.823 1.00 0.00 H new ATOM 622 N GLN A 40 36.562 23.493 17.381 1.00 0.00 N ATOM 623 CA GLN A 40 37.015 23.986 18.669 1.00 0.00 C ATOM 624 C GLN A 40 35.856 24.006 19.665 1.00 0.00 C ATOM 625 O GLN A 40 36.128 24.042 20.865 1.00 0.00 O ATOM 626 CB GLN A 40 37.532 25.400 18.436 1.00 0.00 C ATOM 627 CG GLN A 40 38.242 25.980 19.657 1.00 0.00 C ATOM 628 CD GLN A 40 38.932 27.313 19.416 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.024 27.846 18.305 1.00 0.00 O ATOM 630 NE2 GLN A 40 39.513 27.871 20.481 1.00 0.00 N ATOM 0 H GLN A 40 36.086 24.207 16.829 1.00 0.00 H new ATOM 0 HA GLN A 40 37.794 23.345 19.083 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.219 25.396 17.590 1.00 0.00 H new ATOM 0 HB3 GLN A 40 36.697 26.047 18.165 1.00 0.00 H new ATOM 0 HG2 GLN A 40 37.514 26.103 20.459 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.983 25.260 20.006 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.434 27.427 21.396 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.036 28.741 20.379 1.00 0.00 H new ATOM 639 N GLN A 41 34.591 23.931 19.260 1.00 0.00 N ATOM 640 CA GLN A 41 33.331 24.177 19.913 1.00 0.00 C ATOM 641 C GLN A 41 32.834 22.898 20.593 1.00 0.00 C ATOM 642 O GLN A 41 32.863 21.847 19.960 1.00 0.00 O ATOM 643 CB GLN A 41 32.329 24.548 18.818 1.00 0.00 C ATOM 644 CG GLN A 41 32.609 25.936 18.249 1.00 0.00 C ATOM 645 CD GLN A 41 31.623 26.385 17.182 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.436 26.127 17.373 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.187 26.933 16.110 1.00 0.00 N ATOM 0 H GLN A 41 34.413 23.645 18.297 1.00 0.00 H new ATOM 0 HA GLN A 41 33.439 24.963 20.660 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.374 23.810 18.017 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.318 24.517 19.223 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.598 26.659 19.064 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.614 25.947 17.826 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.194 27.091 16.088 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.612 27.195 15.309 1.00 0.00 H new ATOM 656 N ARG A 42 32.389 22.860 21.850 1.00 0.00 N ATOM 657 CA ARG A 42 31.610 21.727 22.288 1.00 0.00 C ATOM 658 C ARG A 42 30.443 22.306 23.087 1.00 0.00 C ATOM 659 O ARG A 42 30.565 23.180 23.940 1.00 0.00 O ATOM 660 CB ARG A 42 32.441 20.753 23.126 1.00 0.00 C ATOM 661 CG ARG A 42 31.649 19.762 23.989 1.00 0.00 C ATOM 662 CD ARG A 42 32.452 18.635 24.627 1.00 0.00 C ATOM 663 NE ARG A 42 32.836 17.604 23.669 1.00 0.00 N ATOM 664 CZ ARG A 42 33.504 16.504 24.041 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.158 16.253 25.183 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.470 15.570 23.075 1.00 0.00 N ATOM 0 H ARG A 42 32.553 23.580 22.554 1.00 0.00 H new ATOM 0 HA ARG A 42 31.256 21.143 21.438 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.085 20.185 22.454 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.093 21.332 23.779 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.151 20.320 24.782 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.867 19.319 23.372 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.349 19.049 25.087 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.864 18.182 25.425 1.00 0.00 H new ATOM 0 HE ARG A 42 32.589 17.724 22.687 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.191 16.960 25.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 34.623 15.355 25.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.977 15.757 22.202 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.938 14.674 23.215 1.00 0.00 H new ATOM 680 N LEU A 43 29.359 21.543 22.951 1.00 0.00 N ATOM 681 CA LEU A 43 28.097 21.567 23.653 1.00 0.00 C ATOM 682 C LEU A 43 28.004 20.408 24.655 1.00 0.00 C ATOM 683 O LEU A 43 28.290 19.256 24.342 1.00 0.00 O ATOM 684 CB LEU A 43 26.976 21.474 22.621 1.00 0.00 C ATOM 685 CG LEU A 43 26.992 22.788 21.843 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.318 22.436 20.524 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.226 23.886 22.590 1.00 0.00 C ATOM 0 H LEU A 43 29.357 20.800 22.252 1.00 0.00 H new ATOM 0 HA LEU A 43 28.009 22.494 24.220 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.132 20.626 21.954 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.012 21.323 23.108 1.00 0.00 H new ATOM 0 HG LEU A 43 27.998 23.184 21.705 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.279 23.320 19.888 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.886 21.653 20.023 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.305 22.083 20.716 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.256 24.809 22.011 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.190 23.577 22.728 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.687 24.054 23.563 1.00 0.00 H new ATOM 699 N ILE A 44 27.677 20.756 25.889 1.00 0.00 N ATOM 700 CA ILE A 44 27.232 19.901 26.973 1.00 0.00 C ATOM 701 C ILE A 44 25.888 20.449 27.473 1.00 0.00 C ATOM 702 O ILE A 44 25.740 21.634 27.745 1.00 0.00 O ATOM 703 CB ILE A 44 28.261 19.778 28.105 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.658 19.607 27.525 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.874 18.576 28.967 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.844 19.239 28.414 1.00 0.00 C ATOM 0 H ILE A 44 27.721 21.732 26.182 1.00 0.00 H new ATOM 0 HA ILE A 44 27.112 18.883 26.602 1.00 0.00 H new ATOM 0 HB ILE A 44 28.267 20.680 28.717 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.590 18.842 26.752 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.912 20.542 27.026 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.591 18.466 29.781 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.877 18.730 29.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.878 17.674 28.356 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.746 19.166 27.806 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.980 20.007 29.175 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.653 18.280 28.896 1.00 0.00 H new ATOM 718 N PHE A 45 24.857 19.620 27.612 1.00 0.00 N ATOM 719 CA PHE A 45 23.611 20.063 28.192 1.00 0.00 C ATOM 720 C PHE A 45 23.100 18.894 29.030 1.00 0.00 C ATOM 721 O PHE A 45 22.774 17.864 28.446 1.00 0.00 O ATOM 722 CB PHE A 45 22.671 20.602 27.106 1.00 0.00 C ATOM 723 CG PHE A 45 21.262 20.874 27.597 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.954 22.004 28.365 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.246 19.981 27.271 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.693 22.167 28.925 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.959 20.198 27.765 1.00 0.00 C ATOM 728 CZ PHE A 45 18.685 21.232 28.678 1.00 0.00 C ATOM 0 H PHE A 45 24.868 18.640 27.329 1.00 0.00 H new ATOM 0 HA PHE A 45 23.712 20.920 28.858 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.089 21.524 26.701 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.628 19.885 26.287 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.708 22.760 28.524 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.451 19.128 26.641 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.491 23.021 29.555 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.154 19.556 27.438 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.727 21.301 29.172 1.00 0.00 H new ATOM 738 N ALA A 46 23.029 18.995 30.359 1.00 0.00 N ATOM 739 CA ALA A 46 22.156 18.164 31.169 1.00 0.00 C ATOM 740 C ALA A 46 22.686 16.727 31.230 1.00 0.00 C ATOM 741 O ALA A 46 21.901 15.774 31.230 1.00 0.00 O ATOM 742 CB ALA A 46 20.691 18.240 30.749 1.00 0.00 C ATOM 0 H ALA A 46 23.581 19.661 30.900 1.00 0.00 H new ATOM 0 HA ALA A 46 22.173 18.567 32.182 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.094 17.596 31.394 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.340 19.268 30.837 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.591 17.910 29.715 1.00 0.00 H new ATOM 748 N GLY A 47 24.007 16.631 31.262 1.00 0.00 N ATOM 749 CA GLY A 47 24.772 15.415 31.058 1.00 0.00 C ATOM 750 C GLY A 47 25.355 15.216 29.665 1.00 0.00 C ATOM 751 O GLY A 47 26.462 14.757 29.403 1.00 0.00 O ATOM 0 H GLY A 47 24.601 17.441 31.440 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.590 15.400 31.778 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.131 14.564 31.286 1.00 0.00 H new ATOM 755 N LYS A 48 24.473 15.443 28.686 1.00 0.00 N ATOM 756 CA LYS A 48 24.707 15.059 27.308 1.00 0.00 C ATOM 757 C LYS A 48 25.674 15.995 26.580 1.00 0.00 C ATOM 758 O LYS A 48 25.344 17.168 26.421 1.00 0.00 O ATOM 759 CB LYS A 48 23.397 15.212 26.546 1.00 0.00 C ATOM 760 CG LYS A 48 22.118 14.621 27.153 1.00 0.00 C ATOM 761 CD LYS A 48 20.928 14.532 26.208 1.00 0.00 C ATOM 762 CE LYS A 48 19.860 13.658 26.887 1.00 0.00 C ATOM 763 NZ LYS A 48 18.486 14.151 26.687 1.00 0.00 N ATOM 0 H LYS A 48 23.575 15.901 28.838 1.00 0.00 H new ATOM 0 HA LYS A 48 25.110 14.047 27.334 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.227 16.278 26.391 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.533 14.764 25.562 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.341 13.621 27.525 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.832 15.225 28.014 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.532 15.525 25.996 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.228 14.098 25.254 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.933 12.642 26.500 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.068 13.608 27.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.816 13.518 27.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.401 15.110 27.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.270 14.174 25.670 1.00 0.00 H new ATOM 777 N GLN A 49 26.718 15.429 25.983 1.00 0.00 N ATOM 778 CA GLN A 49 27.443 15.991 24.854 1.00 0.00 C ATOM 779 C GLN A 49 26.526 15.876 23.633 1.00 0.00 C ATOM 780 O GLN A 49 26.016 14.834 23.233 1.00 0.00 O ATOM 781 CB GLN A 49 28.709 15.171 24.573 1.00 0.00 C ATOM 782 CG GLN A 49 29.690 15.457 25.710 1.00 0.00 C ATOM 783 CD GLN A 49 31.049 14.776 25.604 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.884 14.889 26.495 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.189 13.989 24.539 1.00 0.00 N ATOM 0 H GLN A 49 27.095 14.531 26.286 1.00 0.00 H new ATOM 0 HA GLN A 49 27.725 17.022 25.066 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.476 14.107 24.523 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.142 15.448 23.612 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.848 16.534 25.765 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.226 15.155 26.649 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.451 13.946 23.836 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.034 13.430 24.426 1.00 0.00 H new ATOM 794 N LEU A 50 26.371 16.944 22.839 1.00 0.00 N ATOM 795 CA LEU A 50 25.659 16.892 21.573 1.00 0.00 C ATOM 796 C LEU A 50 26.672 16.595 20.473 1.00 0.00 C ATOM 797 O LEU A 50 27.727 17.232 20.368 1.00 0.00 O ATOM 798 CB LEU A 50 25.181 18.299 21.213 1.00 0.00 C ATOM 799 CG LEU A 50 24.052 19.005 21.954 1.00 0.00 C ATOM 800 CD1 LEU A 50 22.726 18.909 21.204 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.702 18.437 23.338 1.00 0.00 C ATOM 0 H LEU A 50 26.740 17.867 23.065 1.00 0.00 H new ATOM 0 HA LEU A 50 24.853 16.163 21.655 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.053 18.950 21.284 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.891 18.268 20.163 1.00 0.00 H new ATOM 0 HG LEU A 50 24.453 20.015 22.041 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.950 19.426 21.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.829 19.371 20.222 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.451 17.861 21.085 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.887 19.015 23.773 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.395 17.396 23.237 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.576 18.496 23.987 1.00 0.00 H new ATOM 813 N GLU A 51 26.411 15.538 19.710 1.00 0.00 N ATOM 814 CA GLU A 51 27.139 15.098 18.538 1.00 0.00 C ATOM 815 C GLU A 51 26.854 15.872 17.258 1.00 0.00 C ATOM 816 O GLU A 51 25.747 16.389 17.132 1.00 0.00 O ATOM 817 CB GLU A 51 26.796 13.622 18.322 1.00 0.00 C ATOM 818 CG GLU A 51 27.578 12.699 19.254 1.00 0.00 C ATOM 819 CD GLU A 51 27.090 11.264 19.111 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.036 11.012 18.473 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.920 10.386 19.388 1.00 0.00 O ATOM 0 H GLU A 51 25.623 14.924 19.916 1.00 0.00 H new ATOM 0 HA GLU A 51 28.196 15.274 18.737 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.728 13.473 18.480 1.00 0.00 H new ATOM 0 HB3 GLU A 51 27.006 13.351 17.287 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.642 12.753 19.022 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.460 13.029 20.286 1.00 0.00 H new ATOM 828 N ASP A 52 27.801 15.857 16.309 1.00 0.00 N ATOM 829 CA ASP A 52 27.499 16.343 14.978 1.00 0.00 C ATOM 830 C ASP A 52 26.570 15.407 14.191 1.00 0.00 C ATOM 831 O ASP A 52 26.747 14.206 14.067 1.00 0.00 O ATOM 832 CB ASP A 52 28.854 16.198 14.285 1.00 0.00 C ATOM 833 CG ASP A 52 29.833 17.277 14.724 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.482 18.435 14.416 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.898 16.952 15.293 1.00 0.00 O ATOM 0 H ASP A 52 28.755 15.521 16.443 1.00 0.00 H new ATOM 0 HA ASP A 52 27.035 17.328 15.023 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.272 15.216 14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.717 16.250 13.205 1.00 0.00 H new ATOM 840 N GLY A 53 25.586 16.083 13.598 1.00 0.00 N ATOM 841 CA GLY A 53 24.556 15.585 12.716 1.00 0.00 C ATOM 842 C GLY A 53 23.165 15.526 13.353 1.00 0.00 C ATOM 843 O GLY A 53 22.181 15.342 12.628 1.00 0.00 O ATOM 0 H GLY A 53 25.490 17.088 13.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.512 16.219 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.833 14.586 12.379 1.00 0.00 H new ATOM 847 N ARG A 54 23.147 15.709 14.671 1.00 0.00 N ATOM 848 CA ARG A 54 21.936 15.884 15.445 1.00 0.00 C ATOM 849 C ARG A 54 21.281 17.247 15.196 1.00 0.00 C ATOM 850 O ARG A 54 21.965 18.184 14.798 1.00 0.00 O ATOM 851 CB ARG A 54 22.218 15.682 16.927 1.00 0.00 C ATOM 852 CG ARG A 54 23.079 14.448 17.172 1.00 0.00 C ATOM 853 CD ARG A 54 22.412 13.075 17.060 1.00 0.00 C ATOM 854 NE ARG A 54 23.213 12.158 17.875 1.00 0.00 N ATOM 855 CZ ARG A 54 22.779 11.058 18.492 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.511 10.626 18.565 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.740 10.284 19.017 1.00 0.00 N ATOM 0 H ARG A 54 23.996 15.739 15.236 1.00 0.00 H new ATOM 0 HA ARG A 54 21.227 15.125 15.115 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.722 16.563 17.325 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.276 15.582 17.467 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.910 14.475 16.467 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.506 14.532 18.171 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.383 13.113 17.416 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.378 12.743 16.022 1.00 0.00 H new ATOM 0 HE ARG A 54 24.202 12.384 17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.764 11.159 18.119 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.294 9.765 19.067 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.719 10.555 18.927 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.492 9.424 19.506 1.00 0.00 H new ATOM 871 N THR A 55 19.967 17.327 15.377 1.00 0.00 N ATOM 872 CA THR A 55 19.175 18.542 15.393 1.00 0.00 C ATOM 873 C THR A 55 18.925 18.903 16.856 1.00 0.00 C ATOM 874 O THR A 55 18.881 18.063 17.759 1.00 0.00 O ATOM 875 CB THR A 55 17.830 18.215 14.757 1.00 0.00 C ATOM 876 OG1 THR A 55 17.053 17.211 15.370 1.00 0.00 O ATOM 877 CG2 THR A 55 17.908 18.077 13.232 1.00 0.00 C ATOM 0 H THR A 55 19.397 16.494 15.525 1.00 0.00 H new ATOM 0 HA THR A 55 19.674 19.355 14.866 1.00 0.00 H new ATOM 0 HB THR A 55 17.247 19.110 14.974 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.217 17.095 14.872 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.919 17.844 12.837 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.260 19.013 12.799 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.600 17.275 12.974 1.00 0.00 H new ATOM 885 N LEU A 56 18.934 20.214 17.105 1.00 0.00 N ATOM 886 CA LEU A 56 19.005 20.769 18.447 1.00 0.00 C ATOM 887 C LEU A 56 17.823 20.487 19.374 1.00 0.00 C ATOM 888 O LEU A 56 17.987 20.432 20.587 1.00 0.00 O ATOM 889 CB LEU A 56 19.171 22.289 18.427 1.00 0.00 C ATOM 890 CG LEU A 56 20.588 22.861 18.282 1.00 0.00 C ATOM 891 CD1 LEU A 56 21.323 22.638 16.958 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.630 24.379 18.474 1.00 0.00 C ATOM 0 H LEU A 56 18.892 20.921 16.371 1.00 0.00 H new ATOM 0 HA LEU A 56 19.874 20.248 18.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.569 22.679 17.607 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.746 22.683 19.350 1.00 0.00 H new ATOM 0 HG LEU A 56 21.090 22.289 19.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 22.310 23.099 17.007 1.00 0.00 H new ATOM 0 HD12 LEU A 56 21.431 21.568 16.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.753 23.088 16.145 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.655 24.732 18.361 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.997 24.858 17.727 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.268 24.630 19.471 1.00 0.00 H new ATOM 904 N SER A 57 16.607 20.404 18.835 1.00 0.00 N ATOM 905 CA SER A 57 15.419 20.279 19.651 1.00 0.00 C ATOM 906 C SER A 57 15.090 18.845 20.078 1.00 0.00 C ATOM 907 O SER A 57 14.487 18.704 21.133 1.00 0.00 O ATOM 908 CB SER A 57 14.245 20.895 18.895 1.00 0.00 C ATOM 909 OG SER A 57 13.030 20.910 19.617 1.00 0.00 O ATOM 0 H SER A 57 16.428 20.422 17.831 1.00 0.00 H new ATOM 0 HA SER A 57 15.613 20.811 20.582 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.502 21.918 18.619 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.096 20.343 17.967 1.00 0.00 H new ATOM 0 HG SER A 57 12.329 21.320 19.069 1.00 0.00 H new ATOM 915 N ASP A 58 15.559 17.834 19.347 1.00 0.00 N ATOM 916 CA ASP A 58 15.549 16.431 19.713 1.00 0.00 C ATOM 917 C ASP A 58 16.207 16.173 21.080 1.00 0.00 C ATOM 918 O ASP A 58 15.851 15.339 21.908 1.00 0.00 O ATOM 919 CB ASP A 58 16.261 15.650 18.613 1.00 0.00 C ATOM 920 CG ASP A 58 16.274 14.131 18.737 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.426 13.544 19.442 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.079 13.546 17.987 1.00 0.00 O ATOM 0 H ASP A 58 15.979 17.989 18.431 1.00 0.00 H new ATOM 0 HA ASP A 58 14.515 16.101 19.811 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.797 15.908 17.661 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.294 15.995 18.568 1.00 0.00 H new ATOM 927 N TYR A 59 17.253 16.974 21.265 1.00 0.00 N ATOM 928 CA TYR A 59 18.100 17.102 22.430 1.00 0.00 C ATOM 929 C TYR A 59 17.578 18.065 23.500 1.00 0.00 C ATOM 930 O TYR A 59 18.163 18.088 24.589 1.00 0.00 O ATOM 931 CB TYR A 59 19.518 17.520 22.047 1.00 0.00 C ATOM 932 CG TYR A 59 20.349 16.276 21.838 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.278 15.672 20.577 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.412 16.035 22.715 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.253 14.739 20.236 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.326 15.042 22.357 1.00 0.00 C ATOM 937 CZ TYR A 59 22.301 14.393 21.115 1.00 0.00 C ATOM 938 OH TYR A 59 23.105 13.359 20.740 1.00 0.00 O ATOM 0 H TYR A 59 17.551 17.609 20.525 1.00 0.00 H new ATOM 0 HA TYR A 59 18.098 16.104 22.868 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.502 18.121 21.138 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.954 18.139 22.831 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.487 15.924 19.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.521 16.595 23.632 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.206 14.264 19.267 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.087 14.761 23.070 1.00 0.00 H new ATOM 0 HH TYR A 59 23.791 13.214 21.424 1.00 0.00 H new ATOM 948 N ASN A 60 16.509 18.818 23.306 1.00 0.00 N ATOM 949 CA ASN A 60 15.792 19.764 24.153 1.00 0.00 C ATOM 950 C ASN A 60 16.225 21.226 24.124 1.00 0.00 C ATOM 951 O ASN A 60 15.924 21.955 25.060 1.00 0.00 O ATOM 952 CB ASN A 60 15.381 19.231 25.529 1.00 0.00 C ATOM 953 CG ASN A 60 14.696 17.882 25.575 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.272 16.984 26.195 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.433 17.822 25.169 1.00 0.00 N ATOM 0 H ASN A 60 16.048 18.771 22.398 1.00 0.00 H new ATOM 0 HA ASN A 60 14.854 19.834 23.601 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.275 19.177 26.150 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.717 19.962 25.989 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.873 16.993 25.366 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.023 18.605 24.660 1.00 0.00 H new ATOM 962 N ILE A 61 17.012 21.685 23.144 1.00 0.00 N ATOM 963 CA ILE A 61 17.413 23.072 23.244 1.00 0.00 C ATOM 964 C ILE A 61 16.276 23.942 22.698 1.00 0.00 C ATOM 965 O ILE A 61 15.857 23.672 21.569 1.00 0.00 O ATOM 966 CB ILE A 61 18.736 23.236 22.500 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.843 22.306 23.001 1.00 0.00 C ATOM 968 CG2 ILE A 61 19.220 24.675 22.357 1.00 0.00 C ATOM 969 CD1 ILE A 61 21.002 22.106 22.023 1.00 0.00 C ATOM 0 H ILE A 61 17.355 21.160 22.340 1.00 0.00 H new ATOM 0 HA ILE A 61 17.585 23.391 24.272 1.00 0.00 H new ATOM 0 HB ILE A 61 18.491 22.915 21.487 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.239 22.705 23.935 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.406 21.334 23.229 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.166 24.689 21.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 18.479 25.255 21.807 1.00 0.00 H new ATOM 0 HG23 ILE A 61 19.362 25.111 23.346 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.738 21.433 22.463 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.625 21.675 21.095 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.470 23.067 21.812 1.00 0.00 H new ATOM 981 N GLN A 62 15.644 24.712 23.575 1.00 0.00 N ATOM 982 CA GLN A 62 14.395 25.399 23.307 1.00 0.00 C ATOM 983 C GLN A 62 14.605 26.891 23.574 1.00 0.00 C ATOM 984 O GLN A 62 15.650 27.299 24.084 1.00 0.00 O ATOM 985 CB GLN A 62 13.317 24.871 24.249 1.00 0.00 C ATOM 986 CG GLN A 62 12.890 23.419 24.000 1.00 0.00 C ATOM 987 CD GLN A 62 12.642 23.092 22.535 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.329 23.978 21.744 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.824 21.829 22.132 1.00 0.00 N ATOM 0 H GLN A 62 15.999 24.878 24.517 1.00 0.00 H new ATOM 0 HA GLN A 62 14.086 25.235 22.275 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.678 24.957 25.274 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.439 25.511 24.166 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.662 22.753 24.385 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.981 23.216 24.566 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.084 21.110 22.808 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.703 21.585 21.149 1.00 0.00 H new ATOM 998 N LYS A 63 13.605 27.679 23.191 1.00 0.00 N ATOM 999 CA LYS A 63 13.593 29.134 23.108 1.00 0.00 C ATOM 1000 C LYS A 63 14.239 29.870 24.283 1.00 0.00 C ATOM 1001 O LYS A 63 13.717 29.771 25.392 1.00 0.00 O ATOM 1002 CB LYS A 63 12.231 29.650 22.638 1.00 0.00 C ATOM 1003 CG LYS A 63 11.033 29.260 23.506 1.00 0.00 C ATOM 1004 CD LYS A 63 9.631 29.707 23.096 1.00 0.00 C ATOM 1005 CE LYS A 63 8.531 29.279 24.074 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.321 30.098 23.881 1.00 0.00 N ATOM 0 H LYS A 63 12.709 27.283 22.908 1.00 0.00 H new ATOM 0 HA LYS A 63 14.293 29.408 22.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.276 30.738 22.582 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.056 29.286 21.626 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.021 28.172 23.577 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.218 29.643 24.509 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.619 30.793 23.004 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.405 29.301 22.110 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.292 28.226 23.924 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.887 29.382 25.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.586 29.795 24.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.549 31.099 24.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.973 29.979 22.908 1.00 0.00 H new ATOM 1020 N GLU A 64 15.248 30.700 24.047 1.00 0.00 N ATOM 1021 CA GLU A 64 15.939 31.493 25.039 1.00 0.00 C ATOM 1022 C GLU A 64 16.767 30.737 26.076 1.00 0.00 C ATOM 1023 O GLU A 64 17.013 31.352 27.114 1.00 0.00 O ATOM 1024 CB GLU A 64 15.015 32.472 25.758 1.00 0.00 C ATOM 1025 CG GLU A 64 14.430 33.459 24.752 1.00 0.00 C ATOM 1026 CD GLU A 64 13.468 34.478 25.357 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.940 34.132 26.423 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.320 35.597 24.808 1.00 0.00 O ATOM 0 H GLU A 64 15.620 30.840 23.108 1.00 0.00 H new ATOM 0 HA GLU A 64 16.660 32.028 24.421 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.213 31.930 26.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.567 33.008 26.530 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.247 33.992 24.267 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.908 32.901 23.975 1.00 0.00 H new ATOM 1035 N SER A 65 17.245 29.531 25.812 1.00 0.00 N ATOM 1036 CA SER A 65 18.196 28.812 26.627 1.00 0.00 C ATOM 1037 C SER A 65 19.603 29.385 26.443 1.00 0.00 C ATOM 1038 O SER A 65 20.114 29.617 25.348 1.00 0.00 O ATOM 1039 CB SER A 65 18.211 27.404 26.024 1.00 0.00 C ATOM 1040 OG SER A 65 16.965 26.809 26.326 1.00 0.00 O ATOM 0 H SER A 65 16.963 29.007 24.983 1.00 0.00 H new ATOM 0 HA SER A 65 17.931 28.858 27.683 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.365 27.448 24.946 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.029 26.816 26.439 1.00 0.00 H new ATOM 0 HG SER A 65 16.420 26.760 25.513 1.00 0.00 H new ATOM 1046 N THR A 66 20.226 29.761 27.548 1.00 0.00 N ATOM 1047 CA THR A 66 21.580 30.223 27.794 1.00 0.00 C ATOM 1048 C THR A 66 22.316 28.890 27.943 1.00 0.00 C ATOM 1049 O THR A 66 21.737 27.988 28.544 1.00 0.00 O ATOM 1050 CB THR A 66 21.736 31.203 28.959 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.719 32.179 28.838 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.055 31.981 28.930 1.00 0.00 C ATOM 0 H THR A 66 19.709 29.745 28.427 1.00 0.00 H new ATOM 0 HA THR A 66 21.982 30.854 27.002 1.00 0.00 H new ATOM 0 HB THR A 66 21.693 30.613 29.875 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.793 32.822 29.574 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.098 32.656 29.784 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.890 31.283 28.977 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.117 32.558 28.008 1.00 0.00 H new ATOM 1060 N LEU A 67 23.445 28.722 27.259 1.00 0.00 N ATOM 1061 CA LEU A 67 24.131 27.464 27.010 1.00 0.00 C ATOM 1062 C LEU A 67 25.601 27.867 27.107 1.00 0.00 C ATOM 1063 O LEU A 67 26.141 28.536 26.236 1.00 0.00 O ATOM 1064 CB LEU A 67 23.750 26.973 25.614 1.00 0.00 C ATOM 1065 CG LEU A 67 22.267 26.775 25.287 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.798 27.437 23.995 1.00 0.00 C ATOM 1067 CD2 LEU A 67 21.985 25.278 25.231 1.00 0.00 C ATOM 0 H LEU A 67 23.933 29.513 26.839 1.00 0.00 H new ATOM 0 HA LEU A 67 23.888 26.651 27.694 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.157 27.681 24.892 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.256 26.022 25.448 1.00 0.00 H new ATOM 0 HG LEU A 67 21.705 27.270 26.079 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.736 27.241 23.850 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.963 28.513 24.057 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.360 27.031 23.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 20.933 25.114 24.999 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.602 24.820 24.458 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.218 24.827 26.196 1.00 0.00 H new ATOM 1079 N HIS A 68 26.271 27.369 28.141 1.00 0.00 N ATOM 1080 CA HIS A 68 27.699 27.212 28.313 1.00 0.00 C ATOM 1081 C HIS A 68 28.444 26.608 27.115 1.00 0.00 C ATOM 1082 O HIS A 68 28.253 25.406 26.970 1.00 0.00 O ATOM 1083 CB HIS A 68 28.017 26.423 29.585 1.00 0.00 C ATOM 1084 CG HIS A 68 27.363 25.097 29.850 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.966 25.051 29.822 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.884 23.908 30.284 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.757 23.776 30.162 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.819 23.070 30.574 1.00 0.00 N ATOM 0 H HIS A 68 25.768 27.032 28.962 1.00 0.00 H new ATOM 0 HA HIS A 68 28.073 28.232 28.400 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.094 26.257 29.598 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.783 27.070 30.430 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.932 23.667 30.382 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.774 23.333 30.107 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.839 22.142 30.998 1.00 0.00 H new ATOM 1096 N LEU A 69 29.170 27.362 26.296 1.00 0.00 N ATOM 1097 CA LEU A 69 29.943 26.807 25.205 1.00 0.00 C ATOM 1098 C LEU A 69 31.410 26.583 25.583 1.00 0.00 C ATOM 1099 O LEU A 69 32.226 27.490 25.698 1.00 0.00 O ATOM 1100 CB LEU A 69 29.950 27.656 23.932 1.00 0.00 C ATOM 1101 CG LEU A 69 30.455 26.999 22.645 1.00 0.00 C ATOM 1102 CD1 LEU A 69 29.468 25.935 22.156 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.834 27.984 21.536 1.00 0.00 C ATOM 0 H LEU A 69 29.235 28.377 26.375 1.00 0.00 H new ATOM 0 HA LEU A 69 29.433 25.865 25.005 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.932 28.004 23.755 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.561 28.539 24.120 1.00 0.00 H new ATOM 0 HG LEU A 69 31.394 26.511 22.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 29.847 25.481 21.240 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.352 25.167 22.921 1.00 0.00 H new ATOM 0 HD13 LEU A 69 28.502 26.399 21.958 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.181 27.432 20.662 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.963 28.581 21.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.629 28.641 21.889 1.00 0.00 H new ATOM 1115 N VAL A 70 31.694 25.308 25.843 1.00 0.00 N ATOM 1116 CA VAL A 70 32.944 24.736 26.296 1.00 0.00 C ATOM 1117 C VAL A 70 33.973 24.834 25.166 1.00 0.00 C ATOM 1118 O VAL A 70 33.844 24.186 24.122 1.00 0.00 O ATOM 1119 CB VAL A 70 32.768 23.286 26.760 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.995 22.773 27.515 1.00 0.00 C ATOM 1121 CG2 VAL A 70 31.694 23.261 27.849 1.00 0.00 C ATOM 0 H VAL A 70 30.981 24.588 25.728 1.00 0.00 H new ATOM 0 HA VAL A 70 33.298 25.298 27.160 1.00 0.00 H new ATOM 0 HB VAL A 70 32.555 22.698 25.867 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.826 21.742 27.825 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.868 22.818 26.864 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.166 23.393 28.395 1.00 0.00 H new ATOM 0 HG21 VAL A 70 31.551 22.237 28.195 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.008 23.886 28.685 1.00 0.00 H new ATOM 0 HG23 VAL A 70 30.756 23.641 27.444 1.00 0.00 H new ATOM 1131 N LEU A 71 34.973 25.695 25.322 1.00 0.00 N ATOM 1132 CA LEU A 71 36.067 25.873 24.403 1.00 0.00 C ATOM 1133 C LEU A 71 37.075 24.755 24.720 1.00 0.00 C ATOM 1134 O LEU A 71 37.644 24.672 25.811 1.00 0.00 O ATOM 1135 CB LEU A 71 36.746 27.243 24.503 1.00 0.00 C ATOM 1136 CG LEU A 71 35.790 28.431 24.412 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.407 29.830 24.536 1.00 0.00 C ATOM 1138 CD2 LEU A 71 35.169 28.455 23.013 1.00 0.00 C ATOM 0 H LEU A 71 35.036 26.311 26.133 1.00 0.00 H new ATOM 0 HA LEU A 71 35.687 25.824 23.383 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.286 27.299 25.448 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.486 27.327 23.707 1.00 0.00 H new ATOM 0 HG LEU A 71 35.114 28.268 25.252 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.622 30.582 24.455 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.902 29.925 25.503 1.00 0.00 H new ATOM 0 HD13 LEU A 71 37.136 29.978 23.739 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.484 29.299 22.934 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.957 28.556 22.267 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.624 27.527 22.841 1.00 0.00 H new ATOM 1150 N ARG A 72 37.173 23.816 23.786 1.00 0.00 N ATOM 1151 CA ARG A 72 38.031 22.651 23.715 1.00 0.00 C ATOM 1152 C ARG A 72 39.053 22.851 22.587 1.00 0.00 C ATOM 1153 O ARG A 72 38.795 23.374 21.513 1.00 0.00 O ATOM 1154 CB ARG A 72 37.211 21.398 23.433 1.00 0.00 C ATOM 1155 CG ARG A 72 37.795 20.099 23.995 1.00 0.00 C ATOM 1156 CD ARG A 72 36.967 18.920 23.501 1.00 0.00 C ATOM 1157 NE ARG A 72 37.734 17.748 23.890 1.00 0.00 N ATOM 1158 CZ ARG A 72 37.889 16.651 23.137 1.00 0.00 C ATOM 1159 NH1 ARG A 72 37.338 16.501 21.926 1.00 0.00 N ATOM 1160 NH2 ARG A 72 38.507 15.581 23.653 1.00 0.00 N ATOM 0 H ARG A 72 36.576 23.865 22.961 1.00 0.00 H new ATOM 0 HA ARG A 72 38.541 22.528 24.670 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.211 21.537 23.845 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.099 21.291 22.354 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.832 19.987 23.680 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.794 20.128 25.085 1.00 0.00 H new ATOM 0 HD2 ARG A 72 35.976 18.914 23.954 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.824 18.960 22.421 1.00 0.00 H new ATOM 0 HE ARG A 72 38.188 17.762 24.804 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.765 17.246 21.531 1.00 0.00 H new ATOM 0 HH12 ARG A 72 37.492 15.642 21.399 1.00 0.00 H new ATOM 0 HH21 ARG A 72 38.855 15.606 24.612 1.00 0.00 H new ATOM 0 HH22 ARG A 72 38.630 14.741 23.088 1.00 0.00 H new ATOM 1174 N LEU A 73 40.308 22.497 22.877 1.00 0.00 N ATOM 1175 CA LEU A 73 41.409 22.680 21.948 1.00 0.00 C ATOM 1176 C LEU A 73 41.706 21.524 20.998 1.00 0.00 C ATOM 1177 O LEU A 73 42.636 21.510 20.196 1.00 0.00 O ATOM 1178 CB LEU A 73 42.696 22.938 22.729 1.00 0.00 C ATOM 1179 CG LEU A 73 42.781 24.352 23.310 1.00 0.00 C ATOM 1180 CD1 LEU A 73 43.303 24.307 24.750 1.00 0.00 C ATOM 1181 CD2 LEU A 73 43.495 25.420 22.486 1.00 0.00 C ATOM 0 H LEU A 73 40.582 22.076 23.765 1.00 0.00 H new ATOM 0 HA LEU A 73 41.082 23.516 21.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 42.771 22.214 23.541 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.550 22.771 22.073 1.00 0.00 H new ATOM 0 HG LEU A 73 41.748 24.699 23.282 1.00 0.00 H new ATOM 0 HD11 LEU A 73 43.358 25.320 25.149 1.00 0.00 H new ATOM 0 HD12 LEU A 73 42.627 23.711 25.364 1.00 0.00 H new ATOM 0 HD13 LEU A 73 44.296 23.858 24.763 1.00 0.00 H new ATOM 0 HD21 LEU A 73 43.476 26.368 23.024 1.00 0.00 H new ATOM 0 HD22 LEU A 73 44.529 25.119 22.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 42.991 25.537 21.527 1.00 0.00 H new ATOM 1193 N ARG A 74 40.885 20.472 21.036 1.00 0.00 N ATOM 1194 CA ARG A 74 40.902 19.225 20.311 1.00 0.00 C ATOM 1195 C ARG A 74 39.444 18.843 20.048 1.00 0.00 C ATOM 1196 O ARG A 74 38.480 19.397 20.587 1.00 0.00 O ATOM 1197 CB ARG A 74 41.668 18.140 21.071 1.00 0.00 C ATOM 1198 CG ARG A 74 41.425 18.118 22.580 1.00 0.00 C ATOM 1199 CD ARG A 74 42.179 17.035 23.353 1.00 0.00 C ATOM 1200 NE ARG A 74 42.007 15.657 22.874 1.00 0.00 N ATOM 1201 CZ ARG A 74 42.839 14.624 23.086 1.00 0.00 C ATOM 1202 NH1 ARG A 74 44.076 14.851 23.541 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.590 13.400 22.606 1.00 0.00 N ATOM 0 H ARG A 74 40.086 20.492 21.669 1.00 0.00 H new ATOM 0 HA ARG A 74 41.433 19.333 19.365 1.00 0.00 H new ATOM 0 HB2 ARG A 74 41.396 17.168 20.660 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.735 18.275 20.891 1.00 0.00 H new ATOM 0 HG2 ARG A 74 41.701 19.090 22.989 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.357 17.989 22.757 1.00 0.00 H new ATOM 0 HD2 ARG A 74 43.242 17.275 23.330 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.865 17.077 24.396 1.00 0.00 H new ATOM 0 HE ARG A 74 41.170 15.465 22.324 1.00 0.00 H new ATOM 0 HH11 ARG A 74 44.384 15.806 23.726 1.00 0.00 H new ATOM 0 HH12 ARG A 74 44.711 14.070 23.703 1.00 0.00 H new ATOM 0 HH21 ARG A 74 41.746 13.228 22.060 1.00 0.00 H new ATOM 0 HH22 ARG A 74 43.244 12.639 22.787 1.00 0.00 H new ATOM 1217 N GLY A 75 39.329 18.012 19.019 1.00 0.00 N ATOM 1218 CA GLY A 75 38.056 17.586 18.468 1.00 0.00 C ATOM 1219 C GLY A 75 37.825 16.088 18.708 1.00 0.00 C ATOM 1220 O GLY A 75 36.750 15.627 18.348 1.00 0.00 O ATOM 0 H GLY A 75 40.134 17.610 18.538 1.00 0.00 H new ATOM 0 HA2 GLY A 75 37.249 18.159 18.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 38.031 17.794 17.398 1.00 0.00 H new ATOM 1224 N GLY A 76 38.855 15.338 19.116 1.00 0.00 N ATOM 1225 CA GLY A 76 39.010 13.932 19.394 1.00 0.00 C ATOM 1226 C GLY A 76 39.769 13.911 20.710 1.00 0.00 C ATOM 1227 O GLY A 76 39.898 14.930 21.420 1.00 0.00 O ATOM 1228 OXT GLY A 76 40.436 12.902 21.021 1.00 0.00 O ATOM 0 H GLY A 76 39.747 15.805 19.282 1.00 0.00 H new ATOM 0 HA2 GLY A 76 38.046 13.431 19.479 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.564 13.425 18.603 1.00 0.00 H new TER 1232 GLY A 76