USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 55 THR OG1 : rot -62:sc= 1.19 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 0.659 USER MOD Set 2.1: A 7 THR OG1 : rot 127:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.06 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 151:sc= 0.865 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.12 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.29 (180deg=1.23) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00076 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 2.43 (180deg=2.1) USER MOD Single : A 31 GLN : amide:sc= -0.0861 K(o=-0.086,f=-0.97) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.54) USER MOD Single : A 41 GLN : amide:sc= 1.35 K(o=1.4,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.697 K(o=0.7,f=-3.4!) USER MOD Single : A 59 TYR OH : rot -50:sc= 0.294 USER MOD Single : A 60 ASN : amide:sc=-0.000609 K(o=-0.00061,f=-0.83) USER MOD Single : A 62 GLN : amide:sc= 0.959 K(o=0.96,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 1.26 (180deg=0.892) USER MOD Single : A 65 SER OG : rot 92:sc= 0.00456 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.108 52.060 19.759 1.00 0.00 N ATOM 2 CA MET A 1 33.385 52.461 21.147 1.00 0.00 C ATOM 3 C MET A 1 34.880 52.708 21.355 1.00 0.00 C ATOM 4 O MET A 1 35.701 52.034 20.737 1.00 0.00 O ATOM 5 CB MET A 1 32.834 51.452 22.150 1.00 0.00 C ATOM 6 CG MET A 1 33.505 50.083 22.083 1.00 0.00 C ATOM 7 SD MET A 1 32.787 48.848 23.194 1.00 0.00 S ATOM 8 CE MET A 1 33.895 47.455 22.870 1.00 0.00 C ATOM 0 H1 MET A 1 32.080 51.997 19.615 1.00 0.00 H new ATOM 0 H2 MET A 1 33.506 52.766 19.108 1.00 0.00 H new ATOM 0 H3 MET A 1 33.542 51.133 19.572 1.00 0.00 H new ATOM 0 HA MET A 1 32.864 53.401 21.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.951 51.854 23.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.765 51.330 21.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.446 49.712 21.060 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.563 50.197 22.321 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.594 46.602 23.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.843 47.186 21.815 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.917 47.737 23.122 1.00 0.00 H new ATOM 20 N GLN A 2 35.243 53.623 22.251 1.00 0.00 N ATOM 21 CA GLN A 2 36.616 53.848 22.652 1.00 0.00 C ATOM 22 C GLN A 2 37.055 52.849 23.724 1.00 0.00 C ATOM 23 O GLN A 2 36.264 52.521 24.606 1.00 0.00 O ATOM 24 CB GLN A 2 36.783 55.296 23.103 1.00 0.00 C ATOM 25 CG GLN A 2 38.213 55.659 23.489 1.00 0.00 C ATOM 26 CD GLN A 2 38.358 57.162 23.740 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.025 57.677 24.804 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.844 57.919 22.760 1.00 0.00 N ATOM 0 H GLN A 2 34.576 54.234 22.722 1.00 0.00 H new ATOM 0 HA GLN A 2 37.272 53.681 21.797 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.454 55.957 22.301 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.129 55.479 23.955 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.500 55.109 24.385 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.895 55.353 22.695 1.00 0.00 H new ATOM 0 HE21 GLN A 2 39.121 57.493 21.876 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.940 58.926 22.893 1.00 0.00 H new ATOM 37 N ILE A 3 38.315 52.422 23.690 1.00 0.00 N ATOM 38 CA ILE A 3 38.987 51.743 24.779 1.00 0.00 C ATOM 39 C ILE A 3 40.357 52.360 25.070 1.00 0.00 C ATOM 40 O ILE A 3 40.954 52.968 24.185 1.00 0.00 O ATOM 41 CB ILE A 3 39.107 50.240 24.542 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.877 49.897 23.270 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.730 49.583 24.565 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.244 48.421 23.143 1.00 0.00 C ATOM 0 H ILE A 3 38.911 52.547 22.872 1.00 0.00 H new ATOM 0 HA ILE A 3 38.360 51.882 25.660 1.00 0.00 H new ATOM 0 HB ILE A 3 39.697 49.832 25.363 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.279 50.187 22.406 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.790 50.491 23.239 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.835 48.512 24.394 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.263 49.752 25.535 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.107 50.016 23.782 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.789 48.260 22.213 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.870 48.128 23.986 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.335 47.819 23.140 1.00 0.00 H new ATOM 56 N PHE A 4 40.868 52.170 26.283 1.00 0.00 N ATOM 57 CA PHE A 4 42.204 52.574 26.671 1.00 0.00 C ATOM 58 C PHE A 4 43.193 51.409 26.599 1.00 0.00 C ATOM 59 O PHE A 4 42.892 50.305 27.045 1.00 0.00 O ATOM 60 CB PHE A 4 42.218 53.152 28.084 1.00 0.00 C ATOM 61 CG PHE A 4 41.348 54.364 28.318 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.727 55.609 27.804 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.184 54.254 29.090 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.941 56.741 28.050 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.404 55.388 29.346 1.00 0.00 C ATOM 66 CZ PHE A 4 39.780 56.632 28.824 1.00 0.00 C ATOM 0 H PHE A 4 40.348 51.720 27.036 1.00 0.00 H new ATOM 0 HA PHE A 4 42.513 53.342 25.962 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.909 52.370 28.777 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.245 53.414 28.337 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.628 55.697 27.216 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.888 53.294 29.488 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.230 57.698 27.643 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.511 55.303 29.947 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.175 57.505 29.018 1.00 0.00 H new ATOM 76 N VAL A 5 44.410 51.668 26.126 1.00 0.00 N ATOM 77 CA VAL A 5 45.551 50.780 26.223 1.00 0.00 C ATOM 78 C VAL A 5 46.677 51.492 26.974 1.00 0.00 C ATOM 79 O VAL A 5 47.085 52.582 26.580 1.00 0.00 O ATOM 80 CB VAL A 5 46.015 50.298 24.852 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.198 49.340 24.966 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.909 49.573 24.091 1.00 0.00 C ATOM 0 H VAL A 5 44.630 52.541 25.646 1.00 0.00 H new ATOM 0 HA VAL A 5 45.255 49.889 26.777 1.00 0.00 H new ATOM 0 HB VAL A 5 46.305 51.198 24.309 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.502 49.017 23.970 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.031 49.847 25.453 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.907 48.471 25.556 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.287 49.249 23.121 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.583 48.704 24.663 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.066 50.248 23.945 1.00 0.00 H new ATOM 92 N LYS A 6 47.180 50.892 28.049 1.00 0.00 N ATOM 93 CA LYS A 6 48.257 51.414 28.865 1.00 0.00 C ATOM 94 C LYS A 6 49.549 50.609 28.711 1.00 0.00 C ATOM 95 O LYS A 6 49.507 49.394 28.529 1.00 0.00 O ATOM 96 CB LYS A 6 47.800 51.484 30.319 1.00 0.00 C ATOM 97 CG LYS A 6 46.753 52.578 30.517 1.00 0.00 C ATOM 98 CD LYS A 6 46.385 52.789 31.982 1.00 0.00 C ATOM 99 CE LYS A 6 47.451 53.522 32.793 1.00 0.00 C ATOM 100 NZ LYS A 6 47.430 54.972 32.550 1.00 0.00 N ATOM 0 H LYS A 6 46.831 49.994 28.383 1.00 0.00 H new ATOM 0 HA LYS A 6 48.495 52.420 28.519 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.385 50.522 30.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.658 51.677 30.964 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.130 53.514 30.104 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.855 52.320 29.955 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.453 53.352 32.034 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.197 51.819 32.442 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.294 53.330 33.854 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.435 53.126 32.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.251 55.413 33.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.469 55.153 31.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.555 55.377 32.940 1.00 0.00 H new ATOM 114 N THR A 7 50.692 51.284 28.802 1.00 0.00 N ATOM 115 CA THR A 7 52.011 50.701 28.665 1.00 0.00 C ATOM 116 C THR A 7 52.864 50.872 29.924 1.00 0.00 C ATOM 117 O THR A 7 52.688 51.831 30.673 1.00 0.00 O ATOM 118 CB THR A 7 52.769 51.311 27.489 1.00 0.00 C ATOM 119 OG1 THR A 7 52.957 52.689 27.715 1.00 0.00 O ATOM 120 CG2 THR A 7 52.050 51.145 26.153 1.00 0.00 C ATOM 0 H THR A 7 50.719 52.288 28.980 1.00 0.00 H new ATOM 0 HA THR A 7 51.844 49.637 28.494 1.00 0.00 H new ATOM 0 HB THR A 7 53.717 50.777 27.426 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.906 52.911 27.614 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.644 51.601 25.361 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.916 50.084 25.941 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.076 51.631 26.201 1.00 0.00 H new ATOM 128 N LEU A 8 53.850 50.003 30.121 1.00 0.00 N ATOM 129 CA LEU A 8 54.839 50.128 31.174 1.00 0.00 C ATOM 130 C LEU A 8 55.812 51.285 30.932 1.00 0.00 C ATOM 131 O LEU A 8 56.422 51.771 31.882 1.00 0.00 O ATOM 132 CB LEU A 8 55.566 48.801 31.365 1.00 0.00 C ATOM 133 CG LEU A 8 54.684 47.639 31.815 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.531 46.374 31.921 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.038 47.877 33.176 1.00 0.00 C ATOM 0 H LEU A 8 53.982 49.176 29.538 1.00 0.00 H new ATOM 0 HA LEU A 8 54.315 50.372 32.098 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.047 48.529 30.425 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.359 48.941 32.100 1.00 0.00 H new ATOM 0 HG LEU A 8 53.893 47.541 31.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.904 45.542 32.242 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.967 46.145 30.948 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.328 46.530 32.648 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.423 47.017 33.442 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.815 48.015 33.928 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.414 48.769 33.131 1.00 0.00 H new ATOM 147 N THR A 9 55.892 51.812 29.715 1.00 0.00 N ATOM 148 CA THR A 9 56.510 53.083 29.390 1.00 0.00 C ATOM 149 C THR A 9 55.738 54.293 29.920 1.00 0.00 C ATOM 150 O THR A 9 56.164 55.429 29.731 1.00 0.00 O ATOM 151 CB THR A 9 56.753 53.228 27.891 1.00 0.00 C ATOM 152 OG1 THR A 9 55.540 53.149 27.177 1.00 0.00 O ATOM 153 CG2 THR A 9 57.666 52.139 27.332 1.00 0.00 C ATOM 0 H THR A 9 55.510 51.341 28.895 1.00 0.00 H new ATOM 0 HA THR A 9 57.471 53.071 29.904 1.00 0.00 H new ATOM 0 HB THR A 9 57.228 54.201 27.767 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.718 53.246 26.218 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.803 52.293 26.262 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.634 52.183 27.832 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.214 51.162 27.503 1.00 0.00 H new ATOM 161 N GLY A 10 54.618 54.091 30.611 1.00 0.00 N ATOM 162 CA GLY A 10 53.852 55.121 31.284 1.00 0.00 C ATOM 163 C GLY A 10 52.863 55.881 30.398 1.00 0.00 C ATOM 164 O GLY A 10 52.222 56.804 30.893 1.00 0.00 O ATOM 0 H GLY A 10 54.208 53.163 30.718 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.301 54.663 32.106 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.545 55.837 31.725 1.00 0.00 H new ATOM 168 N LYS A 11 52.715 55.495 29.134 1.00 0.00 N ATOM 169 CA LYS A 11 51.782 56.101 28.205 1.00 0.00 C ATOM 170 C LYS A 11 50.371 55.534 28.365 1.00 0.00 C ATOM 171 O LYS A 11 50.191 54.423 28.860 1.00 0.00 O ATOM 172 CB LYS A 11 52.244 55.969 26.757 1.00 0.00 C ATOM 173 CG LYS A 11 53.647 56.501 26.479 1.00 0.00 C ATOM 174 CD LYS A 11 53.831 57.037 25.062 1.00 0.00 C ATOM 175 CE LYS A 11 53.366 56.097 23.954 1.00 0.00 C ATOM 176 NZ LYS A 11 53.610 56.669 22.621 1.00 0.00 N ATOM 0 H LYS A 11 53.256 54.734 28.723 1.00 0.00 H new ATOM 0 HA LYS A 11 51.753 57.162 28.452 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.207 54.917 26.474 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.538 56.496 26.116 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.872 57.296 27.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.369 55.703 26.653 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.288 57.978 24.972 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.886 57.262 24.908 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.887 55.144 24.042 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.302 55.891 24.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.313 55.989 21.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.066 57.549 22.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.624 56.873 22.511 1.00 0.00 H new ATOM 190 N THR A 12 49.386 56.277 27.870 1.00 0.00 N ATOM 191 CA THR A 12 48.045 55.799 27.597 1.00 0.00 C ATOM 192 C THR A 12 47.632 56.167 26.171 1.00 0.00 C ATOM 193 O THR A 12 47.848 57.290 25.722 1.00 0.00 O ATOM 194 CB THR A 12 47.021 56.334 28.595 1.00 0.00 C ATOM 195 OG1 THR A 12 47.441 56.014 29.903 1.00 0.00 O ATOM 196 CG2 THR A 12 45.641 55.709 28.412 1.00 0.00 C ATOM 0 H THR A 12 49.510 57.263 27.642 1.00 0.00 H new ATOM 0 HA THR A 12 48.063 54.714 27.703 1.00 0.00 H new ATOM 0 HB THR A 12 46.951 57.409 28.428 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.107 56.691 30.528 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.953 56.125 29.147 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.274 55.925 27.409 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.709 54.630 28.549 1.00 0.00 H new ATOM 204 N ILE A 13 47.044 55.196 25.477 1.00 0.00 N ATOM 205 CA ILE A 13 46.685 55.204 24.073 1.00 0.00 C ATOM 206 C ILE A 13 45.180 54.952 23.970 1.00 0.00 C ATOM 207 O ILE A 13 44.658 54.125 24.716 1.00 0.00 O ATOM 208 CB ILE A 13 47.498 54.133 23.352 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.996 54.421 23.381 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.047 53.930 21.908 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.861 53.170 23.260 1.00 0.00 C ATOM 0 H ILE A 13 46.788 54.315 25.924 1.00 0.00 H new ATOM 0 HA ILE A 13 46.908 56.161 23.602 1.00 0.00 H new ATOM 0 HB ILE A 13 47.311 53.212 23.904 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.242 55.103 22.567 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.241 54.933 24.311 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.658 53.158 21.441 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.001 53.624 21.893 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.159 54.864 21.357 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.914 53.451 23.288 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.643 52.496 24.088 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.645 52.668 22.317 1.00 0.00 H new ATOM 223 N THR A 14 44.481 55.610 23.049 1.00 0.00 N ATOM 224 CA THR A 14 43.082 55.354 22.773 1.00 0.00 C ATOM 225 C THR A 14 42.878 54.694 21.407 1.00 0.00 C ATOM 226 O THR A 14 43.533 55.068 20.437 1.00 0.00 O ATOM 227 CB THR A 14 42.210 56.601 22.896 1.00 0.00 C ATOM 228 OG1 THR A 14 42.689 57.657 22.095 1.00 0.00 O ATOM 229 CG2 THR A 14 42.102 57.118 24.328 1.00 0.00 C ATOM 0 H THR A 14 44.882 56.346 22.468 1.00 0.00 H new ATOM 0 HA THR A 14 42.758 54.656 23.545 1.00 0.00 H new ATOM 0 HB THR A 14 41.224 56.283 22.557 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.105 58.437 22.198 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.469 58.005 24.348 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.665 56.346 24.961 1.00 0.00 H new ATOM 0 HG23 THR A 14 43.095 57.372 24.699 1.00 0.00 H new ATOM 237 N LEU A 15 41.976 53.720 21.338 1.00 0.00 N ATOM 238 CA LEU A 15 41.622 53.000 20.131 1.00 0.00 C ATOM 239 C LEU A 15 40.108 52.989 19.906 1.00 0.00 C ATOM 240 O LEU A 15 39.351 52.873 20.867 1.00 0.00 O ATOM 241 CB LEU A 15 42.118 51.557 20.202 1.00 0.00 C ATOM 242 CG LEU A 15 43.614 51.347 20.419 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.869 49.851 20.580 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.467 51.845 19.256 1.00 0.00 C ATOM 0 H LEU A 15 41.455 53.403 22.155 1.00 0.00 H new ATOM 0 HA LEU A 15 42.099 53.517 19.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.585 51.055 21.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.837 51.056 19.275 1.00 0.00 H new ATOM 0 HG LEU A 15 43.895 51.919 21.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.934 49.678 20.736 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.311 49.477 21.438 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.545 49.328 19.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.520 51.666 19.474 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.189 51.312 18.347 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.302 52.913 19.115 1.00 0.00 H new ATOM 256 N GLU A 16 39.678 53.024 18.649 1.00 0.00 N ATOM 257 CA GLU A 16 38.286 52.952 18.251 1.00 0.00 C ATOM 258 C GLU A 16 37.950 51.537 17.776 1.00 0.00 C ATOM 259 O GLU A 16 38.526 51.045 16.808 1.00 0.00 O ATOM 260 CB GLU A 16 38.012 54.015 17.191 1.00 0.00 C ATOM 261 CG GLU A 16 36.606 54.606 17.216 1.00 0.00 C ATOM 262 CD GLU A 16 35.499 53.589 16.923 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.311 53.171 15.761 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.737 53.260 17.858 1.00 0.00 O ATOM 0 H GLU A 16 40.315 53.106 17.856 1.00 0.00 H new ATOM 0 HA GLU A 16 37.634 53.159 19.100 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.732 54.824 17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.189 53.579 16.208 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.427 55.051 18.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.548 55.412 16.484 1.00 0.00 H new ATOM 271 N VAL A 17 37.065 50.845 18.488 1.00 0.00 N ATOM 272 CA VAL A 17 36.807 49.426 18.335 1.00 0.00 C ATOM 273 C VAL A 17 35.318 49.077 18.303 1.00 0.00 C ATOM 274 O VAL A 17 34.449 49.886 18.624 1.00 0.00 O ATOM 275 CB VAL A 17 37.531 48.609 19.401 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.044 48.806 19.379 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.029 48.888 20.814 1.00 0.00 C ATOM 0 H VAL A 17 36.490 51.277 19.211 1.00 0.00 H new ATOM 0 HA VAL A 17 37.208 49.158 17.357 1.00 0.00 H new ATOM 0 HB VAL A 17 37.302 47.576 19.141 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.501 48.199 20.160 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.436 48.504 18.408 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.277 49.857 19.553 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.584 48.276 21.525 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.176 49.942 21.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.968 48.646 20.878 1.00 0.00 H new ATOM 287 N GLU A 18 35.021 47.836 17.930 1.00 0.00 N ATOM 288 CA GLU A 18 33.715 47.209 17.979 1.00 0.00 C ATOM 289 C GLU A 18 33.757 45.977 18.887 1.00 0.00 C ATOM 290 O GLU A 18 34.774 45.288 18.900 1.00 0.00 O ATOM 291 CB GLU A 18 33.302 46.793 16.570 1.00 0.00 C ATOM 292 CG GLU A 18 32.575 47.884 15.789 1.00 0.00 C ATOM 293 CD GLU A 18 31.113 47.964 16.233 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.756 48.844 17.046 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.304 47.106 15.818 1.00 0.00 O ATOM 0 H GLU A 18 35.735 47.206 17.563 1.00 0.00 H new ATOM 0 HA GLU A 18 32.991 47.919 18.380 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.191 46.494 16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.658 45.916 16.635 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.065 48.844 15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.628 47.674 14.721 1.00 0.00 H new ATOM 302 N PRO A 19 32.684 45.618 19.585 1.00 0.00 N ATOM 303 CA PRO A 19 32.595 44.374 20.324 1.00 0.00 C ATOM 304 C PRO A 19 32.913 43.119 19.508 1.00 0.00 C ATOM 305 O PRO A 19 33.413 42.140 20.058 1.00 0.00 O ATOM 306 CB PRO A 19 31.170 44.330 20.866 1.00 0.00 C ATOM 307 CG PRO A 19 30.783 45.800 20.998 1.00 0.00 C ATOM 308 CD PRO A 19 31.515 46.441 19.823 1.00 0.00 C ATOM 0 HA PRO A 19 33.353 44.364 21.107 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.501 43.800 20.188 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.123 43.817 21.826 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.705 45.943 20.931 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.102 46.219 21.952 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.878 46.479 18.940 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.801 47.467 20.054 1.00 0.00 H new ATOM 316 N SER A 20 32.669 43.142 18.201 1.00 0.00 N ATOM 317 CA SER A 20 32.983 42.088 17.257 1.00 0.00 C ATOM 318 C SER A 20 34.381 42.140 16.638 1.00 0.00 C ATOM 319 O SER A 20 34.693 41.274 15.824 1.00 0.00 O ATOM 320 CB SER A 20 31.934 42.071 16.149 1.00 0.00 C ATOM 321 OG SER A 20 31.917 43.307 15.470 1.00 0.00 O ATOM 0 H SER A 20 32.223 43.942 17.753 1.00 0.00 H new ATOM 0 HA SER A 20 32.971 41.170 17.844 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.150 41.266 15.447 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.951 41.868 16.573 1.00 0.00 H new ATOM 0 HG SER A 20 31.241 43.281 14.761 1.00 0.00 H new ATOM 327 N ASP A 21 35.225 43.114 16.969 1.00 0.00 N ATOM 328 CA ASP A 21 36.589 43.153 16.480 1.00 0.00 C ATOM 329 C ASP A 21 37.396 41.965 17.008 1.00 0.00 C ATOM 330 O ASP A 21 37.334 41.648 18.193 1.00 0.00 O ATOM 331 CB ASP A 21 37.306 44.447 16.856 1.00 0.00 C ATOM 332 CG ASP A 21 36.915 45.672 16.027 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.297 45.541 14.949 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.257 46.806 16.426 1.00 0.00 O ATOM 0 H ASP A 21 34.979 43.892 17.581 1.00 0.00 H new ATOM 0 HA ASP A 21 36.523 43.101 15.393 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.109 44.661 17.906 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.380 44.290 16.759 1.00 0.00 H new ATOM 339 N THR A 22 38.180 41.335 16.137 1.00 0.00 N ATOM 340 CA THR A 22 39.050 40.233 16.497 1.00 0.00 C ATOM 341 C THR A 22 40.346 40.707 17.159 1.00 0.00 C ATOM 342 O THR A 22 40.772 41.847 16.992 1.00 0.00 O ATOM 343 CB THR A 22 39.355 39.302 15.328 1.00 0.00 C ATOM 344 OG1 THR A 22 40.064 39.953 14.297 1.00 0.00 O ATOM 345 CG2 THR A 22 38.081 38.715 14.726 1.00 0.00 C ATOM 0 H THR A 22 38.225 41.584 15.149 1.00 0.00 H new ATOM 0 HA THR A 22 38.488 39.654 17.230 1.00 0.00 H new ATOM 0 HB THR A 22 39.972 38.505 15.744 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.239 39.320 13.570 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.340 38.057 13.896 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.548 38.146 15.487 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.444 39.522 14.364 1.00 0.00 H new ATOM 353 N ILE A 23 41.017 39.814 17.881 1.00 0.00 N ATOM 354 CA ILE A 23 42.287 40.126 18.507 1.00 0.00 C ATOM 355 C ILE A 23 43.384 40.396 17.475 1.00 0.00 C ATOM 356 O ILE A 23 44.192 41.297 17.688 1.00 0.00 O ATOM 357 CB ILE A 23 42.642 39.066 19.547 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.632 38.993 20.689 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.047 39.257 20.110 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.244 40.305 21.362 1.00 0.00 C ATOM 0 H ILE A 23 40.694 38.861 18.045 1.00 0.00 H new ATOM 0 HA ILE A 23 42.193 41.065 19.052 1.00 0.00 H new ATOM 0 HB ILE A 23 42.609 38.118 19.011 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.723 38.528 20.307 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.034 38.327 21.453 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.253 38.479 20.845 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.775 39.194 19.301 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.118 40.235 20.586 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.521 40.108 22.154 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.132 40.771 21.789 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.801 40.975 20.625 1.00 0.00 H new ATOM 372 N GLU A 24 43.385 39.741 16.318 1.00 0.00 N ATOM 373 CA GLU A 24 44.281 40.097 15.236 1.00 0.00 C ATOM 374 C GLU A 24 44.026 41.506 14.700 1.00 0.00 C ATOM 375 O GLU A 24 44.975 42.217 14.377 1.00 0.00 O ATOM 376 CB GLU A 24 44.207 39.085 14.097 1.00 0.00 C ATOM 377 CG GLU A 24 44.649 37.674 14.480 1.00 0.00 C ATOM 378 CD GLU A 24 43.483 36.714 14.719 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.493 37.093 15.381 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.556 35.560 14.244 1.00 0.00 O ATOM 0 H GLU A 24 42.768 38.956 16.110 1.00 0.00 H new ATOM 0 HA GLU A 24 45.286 40.082 15.659 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.182 39.045 13.729 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.828 39.437 13.273 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.283 37.273 13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.258 37.725 15.382 1.00 0.00 H new ATOM 387 N ASN A 25 42.770 41.942 14.649 1.00 0.00 N ATOM 388 CA ASN A 25 42.415 43.288 14.247 1.00 0.00 C ATOM 389 C ASN A 25 42.832 44.324 15.291 1.00 0.00 C ATOM 390 O ASN A 25 43.445 45.331 14.943 1.00 0.00 O ATOM 391 CB ASN A 25 40.925 43.320 13.919 1.00 0.00 C ATOM 392 CG ASN A 25 40.404 44.647 13.363 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.135 45.562 12.994 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.084 44.785 13.278 1.00 0.00 N ATOM 0 H ASN A 25 41.967 41.361 14.889 1.00 0.00 H new ATOM 0 HA ASN A 25 42.967 43.565 13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.713 42.534 13.195 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.366 43.080 14.823 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.684 45.647 12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.471 44.029 13.583 1.00 0.00 H new ATOM 401 N VAL A 26 42.597 44.093 16.581 1.00 0.00 N ATOM 402 CA VAL A 26 42.975 45.055 17.595 1.00 0.00 C ATOM 403 C VAL A 26 44.490 45.214 17.738 1.00 0.00 C ATOM 404 O VAL A 26 44.958 46.331 17.944 1.00 0.00 O ATOM 405 CB VAL A 26 42.259 44.803 18.919 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.008 43.887 19.883 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.981 46.128 19.624 1.00 0.00 C ATOM 0 H VAL A 26 42.149 43.250 16.940 1.00 0.00 H new ATOM 0 HA VAL A 26 42.627 46.027 17.246 1.00 0.00 H new ATOM 0 HB VAL A 26 41.336 44.289 18.651 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.425 43.765 20.796 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.160 42.914 19.416 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.975 44.327 20.126 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.470 45.938 20.568 1.00 0.00 H new ATOM 0 HG22 VAL A 26 42.923 46.641 19.818 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.352 46.752 18.990 1.00 0.00 H new ATOM 417 N LYS A 27 45.268 44.158 17.518 1.00 0.00 N ATOM 418 CA LYS A 27 46.710 44.241 17.403 1.00 0.00 C ATOM 419 C LYS A 27 47.153 45.060 16.189 1.00 0.00 C ATOM 420 O LYS A 27 48.081 45.857 16.295 1.00 0.00 O ATOM 421 CB LYS A 27 47.323 42.844 17.371 1.00 0.00 C ATOM 422 CG LYS A 27 47.231 42.110 18.706 1.00 0.00 C ATOM 423 CD LYS A 27 47.685 40.659 18.574 1.00 0.00 C ATOM 424 CE LYS A 27 47.589 39.932 19.911 1.00 0.00 C ATOM 425 NZ LYS A 27 48.020 38.530 19.790 1.00 0.00 N ATOM 0 H LYS A 27 44.904 43.211 17.414 1.00 0.00 H new ATOM 0 HA LYS A 27 47.075 44.766 18.286 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.821 42.253 16.605 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.370 42.922 17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.847 42.620 19.447 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.204 42.140 19.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.070 40.148 17.833 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.713 40.627 18.212 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.207 40.442 20.650 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.562 39.969 20.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.943 38.062 20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.414 38.039 19.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.008 38.497 19.466 1.00 0.00 H new ATOM 439 N ALA A 28 46.465 44.934 15.056 1.00 0.00 N ATOM 440 CA ALA A 28 46.706 45.757 13.888 1.00 0.00 C ATOM 441 C ALA A 28 46.311 47.223 14.077 1.00 0.00 C ATOM 442 O ALA A 28 46.968 48.101 13.522 1.00 0.00 O ATOM 443 CB ALA A 28 46.011 45.130 12.683 1.00 0.00 C ATOM 0 H ALA A 28 45.719 44.250 14.929 1.00 0.00 H new ATOM 0 HA ALA A 28 47.782 45.782 13.717 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.188 45.744 11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.408 44.129 12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.939 45.068 12.873 1.00 0.00 H new ATOM 449 N LYS A 29 45.311 47.533 14.898 1.00 0.00 N ATOM 450 CA LYS A 29 44.968 48.890 15.273 1.00 0.00 C ATOM 451 C LYS A 29 46.036 49.549 16.147 1.00 0.00 C ATOM 452 O LYS A 29 46.283 50.742 15.993 1.00 0.00 O ATOM 453 CB LYS A 29 43.597 48.930 15.943 1.00 0.00 C ATOM 454 CG LYS A 29 42.460 48.689 14.953 1.00 0.00 C ATOM 455 CD LYS A 29 41.092 48.731 15.628 1.00 0.00 C ATOM 456 CE LYS A 29 40.006 48.612 14.564 1.00 0.00 C ATOM 457 NZ LYS A 29 38.660 48.784 15.132 1.00 0.00 N ATOM 0 H LYS A 29 44.709 46.830 15.326 1.00 0.00 H new ATOM 0 HA LYS A 29 44.923 49.476 14.355 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.557 48.176 16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.458 49.899 16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.499 49.443 14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.597 47.720 14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.003 47.918 16.348 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.975 49.662 16.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.172 49.362 13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.075 47.637 14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.981 48.967 14.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.384 47.919 15.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.662 49.587 15.792 1.00 0.00 H new ATOM 471 N ILE A 30 46.715 48.789 17.003 1.00 0.00 N ATOM 472 CA ILE A 30 47.884 49.233 17.734 1.00 0.00 C ATOM 473 C ILE A 30 49.065 49.468 16.791 1.00 0.00 C ATOM 474 O ILE A 30 49.749 50.481 16.918 1.00 0.00 O ATOM 475 CB ILE A 30 48.229 48.258 18.857 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.148 48.318 19.932 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.596 48.535 19.479 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.241 47.225 20.991 1.00 0.00 C ATOM 0 H ILE A 30 46.455 47.824 17.208 1.00 0.00 H new ATOM 0 HA ILE A 30 47.653 50.191 18.201 1.00 0.00 H new ATOM 0 HB ILE A 30 48.275 47.260 18.420 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.199 49.288 20.426 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.172 48.256 19.450 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.788 47.812 20.271 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.368 48.449 18.714 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.609 49.542 19.896 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.433 47.348 21.712 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.157 46.248 20.514 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.200 47.297 21.505 1.00 0.00 H new ATOM 490 N GLN A 31 49.284 48.590 15.815 1.00 0.00 N ATOM 491 CA GLN A 31 50.324 48.737 14.816 1.00 0.00 C ATOM 492 C GLN A 31 50.162 50.029 14.013 1.00 0.00 C ATOM 493 O GLN A 31 51.122 50.786 13.881 1.00 0.00 O ATOM 494 CB GLN A 31 50.315 47.505 13.917 1.00 0.00 C ATOM 495 CG GLN A 31 51.411 47.512 12.856 1.00 0.00 C ATOM 496 CD GLN A 31 51.329 46.286 11.944 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.311 45.607 11.824 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.420 45.949 11.263 1.00 0.00 N ATOM 0 H GLN A 31 48.729 47.742 15.700 1.00 0.00 H new ATOM 0 HA GLN A 31 51.292 48.812 15.312 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.426 46.614 14.535 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.345 47.433 13.425 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.329 48.418 12.255 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.386 47.539 13.342 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.270 46.505 11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.407 45.135 10.649 1.00 0.00 H new ATOM 507 N ASP A 32 48.958 50.326 13.535 1.00 0.00 N ATOM 508 CA ASP A 32 48.636 51.558 12.845 1.00 0.00 C ATOM 509 C ASP A 32 48.911 52.805 13.688 1.00 0.00 C ATOM 510 O ASP A 32 49.363 53.822 13.164 1.00 0.00 O ATOM 511 CB ASP A 32 47.167 51.492 12.437 1.00 0.00 C ATOM 512 CG ASP A 32 46.720 52.729 11.657 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.467 53.185 10.765 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.606 53.230 11.926 1.00 0.00 O ATOM 0 H ASP A 32 48.161 49.695 13.622 1.00 0.00 H new ATOM 0 HA ASP A 32 49.281 51.649 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.002 50.603 11.828 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.550 51.386 13.329 1.00 0.00 H new ATOM 519 N LYS A 33 48.671 52.736 14.993 1.00 0.00 N ATOM 520 CA LYS A 33 48.857 53.838 15.915 1.00 0.00 C ATOM 521 C LYS A 33 50.323 54.083 16.278 1.00 0.00 C ATOM 522 O LYS A 33 50.792 55.215 16.184 1.00 0.00 O ATOM 523 CB LYS A 33 47.965 53.597 17.129 1.00 0.00 C ATOM 524 CG LYS A 33 47.817 54.784 18.077 1.00 0.00 C ATOM 525 CD LYS A 33 47.025 55.937 17.467 1.00 0.00 C ATOM 526 CE LYS A 33 46.899 57.080 18.470 1.00 0.00 C ATOM 527 NZ LYS A 33 46.061 58.166 17.940 1.00 0.00 N ATOM 0 H LYS A 33 48.333 51.887 15.446 1.00 0.00 H new ATOM 0 HA LYS A 33 48.557 54.767 15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.974 53.307 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.364 52.753 17.691 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.322 54.453 18.990 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.807 55.141 18.362 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.521 56.290 16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.034 55.591 17.173 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.468 56.706 19.399 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.889 57.466 18.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.994 58.928 18.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.486 58.538 17.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.109 57.801 17.734 1.00 0.00 H new ATOM 541 N GLU A 34 51.053 53.044 16.675 1.00 0.00 N ATOM 542 CA GLU A 34 52.334 53.145 17.342 1.00 0.00 C ATOM 543 C GLU A 34 53.516 52.539 16.583 1.00 0.00 C ATOM 544 O GLU A 34 54.657 52.713 17.006 1.00 0.00 O ATOM 545 CB GLU A 34 52.221 52.525 18.733 1.00 0.00 C ATOM 546 CG GLU A 34 51.223 53.187 19.679 1.00 0.00 C ATOM 547 CD GLU A 34 51.640 54.591 20.122 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.493 54.714 21.028 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.138 55.592 19.569 1.00 0.00 O ATOM 0 H GLU A 34 50.753 52.079 16.533 1.00 0.00 H new ATOM 0 HA GLU A 34 52.561 54.210 17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.945 51.476 18.621 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.205 52.547 19.201 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.252 53.243 19.188 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.099 52.558 20.561 1.00 0.00 H new ATOM 556 N GLY A 35 53.298 51.844 15.470 1.00 0.00 N ATOM 557 CA GLY A 35 54.341 51.328 14.606 1.00 0.00 C ATOM 558 C GLY A 35 54.966 49.989 15.004 1.00 0.00 C ATOM 559 O GLY A 35 56.049 49.655 14.529 1.00 0.00 O ATOM 0 H GLY A 35 52.359 51.621 15.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.931 51.226 13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.136 52.072 14.552 1.00 0.00 H new ATOM 563 N ILE A 36 54.309 49.233 15.879 1.00 0.00 N ATOM 564 CA ILE A 36 54.780 47.983 16.441 1.00 0.00 C ATOM 565 C ILE A 36 53.913 46.832 15.928 1.00 0.00 C ATOM 566 O ILE A 36 52.708 46.854 16.169 1.00 0.00 O ATOM 567 CB ILE A 36 54.803 48.054 17.966 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.727 49.169 18.446 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.230 46.712 18.555 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.763 49.375 19.958 1.00 0.00 C ATOM 0 H ILE A 36 53.387 49.494 16.229 1.00 0.00 H new ATOM 0 HA ILE A 36 55.805 47.800 16.119 1.00 0.00 H new ATOM 0 HB ILE A 36 53.794 48.280 18.312 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.738 48.956 18.100 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.419 50.103 17.975 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.241 46.779 19.643 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.526 45.939 18.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.228 46.458 18.197 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.448 50.188 20.198 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.764 49.624 20.315 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.103 48.460 20.442 1.00 0.00 H new ATOM 582 N PRO A 37 54.460 45.826 15.252 1.00 0.00 N ATOM 583 CA PRO A 37 53.681 44.779 14.621 1.00 0.00 C ATOM 584 C PRO A 37 53.099 43.774 15.617 1.00 0.00 C ATOM 585 O PRO A 37 53.690 43.577 16.676 1.00 0.00 O ATOM 586 CB PRO A 37 54.630 44.110 13.631 1.00 0.00 C ATOM 587 CG PRO A 37 55.991 44.263 14.304 1.00 0.00 C ATOM 588 CD PRO A 37 55.868 45.627 14.979 1.00 0.00 C ATOM 0 HA PRO A 37 52.804 45.199 14.128 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.374 43.063 13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.605 44.596 12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.180 43.468 15.025 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.807 44.239 13.582 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.450 45.658 15.900 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.253 46.416 14.333 1.00 0.00 H new ATOM 596 N PRO A 38 51.998 43.100 15.296 1.00 0.00 N ATOM 597 CA PRO A 38 51.328 42.160 16.173 1.00 0.00 C ATOM 598 C PRO A 38 52.231 41.129 16.852 1.00 0.00 C ATOM 599 O PRO A 38 52.051 40.869 18.041 1.00 0.00 O ATOM 600 CB PRO A 38 50.279 41.468 15.305 1.00 0.00 C ATOM 601 CG PRO A 38 49.883 42.565 14.320 1.00 0.00 C ATOM 602 CD PRO A 38 51.199 43.305 14.104 1.00 0.00 C ATOM 0 HA PRO A 38 50.907 42.712 17.013 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.687 40.595 14.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.428 41.126 15.894 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.492 42.153 13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.112 43.218 14.729 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.716 42.925 13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.022 44.367 13.936 1.00 0.00 H new ATOM 610 N ASP A 39 53.216 40.568 16.156 1.00 0.00 N ATOM 611 CA ASP A 39 54.098 39.562 16.713 1.00 0.00 C ATOM 612 C ASP A 39 55.028 40.068 17.817 1.00 0.00 C ATOM 613 O ASP A 39 55.470 39.273 18.644 1.00 0.00 O ATOM 614 CB ASP A 39 54.894 38.884 15.601 1.00 0.00 C ATOM 615 CG ASP A 39 55.863 39.822 14.878 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.468 40.414 13.852 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.047 39.887 15.273 1.00 0.00 O ATOM 0 H ASP A 39 53.421 40.804 15.185 1.00 0.00 H new ATOM 0 HA ASP A 39 53.447 38.837 17.202 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.456 38.052 16.024 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.200 38.463 14.874 1.00 0.00 H new ATOM 622 N GLN A 40 55.316 41.365 17.877 1.00 0.00 N ATOM 623 CA GLN A 40 56.102 41.982 18.927 1.00 0.00 C ATOM 624 C GLN A 40 55.263 42.365 20.149 1.00 0.00 C ATOM 625 O GLN A 40 55.827 42.641 21.206 1.00 0.00 O ATOM 626 CB GLN A 40 56.841 43.195 18.372 1.00 0.00 C ATOM 627 CG GLN A 40 57.932 42.824 17.374 1.00 0.00 C ATOM 628 CD GLN A 40 58.596 44.043 16.731 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.592 45.153 17.258 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.173 43.891 15.543 1.00 0.00 N ATOM 0 H GLN A 40 54.997 42.030 17.173 1.00 0.00 H new ATOM 0 HA GLN A 40 56.824 41.243 19.273 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.125 43.860 17.888 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.285 43.751 19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.692 42.228 17.880 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.503 42.197 16.593 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.183 42.975 15.095 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.605 44.690 15.080 1.00 0.00 H new ATOM 639 N GLN A 41 53.939 42.370 20.023 1.00 0.00 N ATOM 640 CA GLN A 41 52.985 42.685 21.066 1.00 0.00 C ATOM 641 C GLN A 41 52.566 41.437 21.847 1.00 0.00 C ATOM 642 O GLN A 41 52.483 40.348 21.284 1.00 0.00 O ATOM 643 CB GLN A 41 51.731 43.322 20.474 1.00 0.00 C ATOM 644 CG GLN A 41 51.912 44.566 19.609 1.00 0.00 C ATOM 645 CD GLN A 41 50.608 44.967 18.917 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.505 44.705 19.393 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.646 45.607 17.752 1.00 0.00 N ATOM 0 H GLN A 41 53.484 42.141 19.139 1.00 0.00 H new ATOM 0 HA GLN A 41 53.479 43.382 21.743 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.222 42.567 19.875 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.064 43.579 21.297 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.265 45.391 20.227 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.680 44.379 18.858 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.544 45.841 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.778 45.864 17.283 1.00 0.00 H new ATOM 656 N ARG A 42 52.176 41.613 23.105 1.00 0.00 N ATOM 657 CA ARG A 42 51.166 40.798 23.752 1.00 0.00 C ATOM 658 C ARG A 42 50.230 41.677 24.582 1.00 0.00 C ATOM 659 O ARG A 42 50.670 42.657 25.181 1.00 0.00 O ATOM 660 CB ARG A 42 51.799 39.646 24.527 1.00 0.00 C ATOM 661 CG ARG A 42 52.646 40.059 25.728 1.00 0.00 C ATOM 662 CD ARG A 42 53.367 38.860 26.335 1.00 0.00 C ATOM 663 NE ARG A 42 53.886 39.170 27.668 1.00 0.00 N ATOM 664 CZ ARG A 42 53.325 38.857 28.845 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.228 38.092 28.921 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.838 39.308 29.998 1.00 0.00 N ATOM 0 H ARG A 42 52.562 42.339 23.709 1.00 0.00 H new ATOM 0 HA ARG A 42 50.542 40.321 22.996 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.006 38.983 24.873 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.422 39.069 23.844 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.376 40.808 25.421 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.010 40.524 26.482 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.682 38.014 26.397 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.188 38.559 25.684 1.00 0.00 H new ATOM 0 HE ARG A 42 54.769 39.679 27.706 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.798 37.731 28.069 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.823 37.870 29.830 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.669 39.900 29.990 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.398 39.060 30.884 1.00 0.00 H new ATOM 680 N LEU A 43 48.937 41.365 24.574 1.00 0.00 N ATOM 681 CA LEU A 43 47.889 42.172 25.166 1.00 0.00 C ATOM 682 C LEU A 43 47.253 41.468 26.364 1.00 0.00 C ATOM 683 O LEU A 43 46.955 40.276 26.298 1.00 0.00 O ATOM 684 CB LEU A 43 46.832 42.516 24.120 1.00 0.00 C ATOM 685 CG LEU A 43 47.334 43.190 22.846 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.152 43.464 21.921 1.00 0.00 C ATOM 687 CD2 LEU A 43 48.042 44.514 23.120 1.00 0.00 C ATOM 0 H LEU A 43 48.584 40.513 24.139 1.00 0.00 H new ATOM 0 HA LEU A 43 48.339 43.097 25.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.316 41.597 23.840 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.092 43.169 24.583 1.00 0.00 H new ATOM 0 HG LEU A 43 48.052 42.510 22.388 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.507 43.946 21.010 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.663 42.524 21.667 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.441 44.119 22.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.378 44.949 22.179 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.352 45.201 23.611 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.902 44.340 23.766 1.00 0.00 H new ATOM 699 N ILE A 44 47.006 42.213 27.437 1.00 0.00 N ATOM 700 CA ILE A 44 46.400 41.746 28.668 1.00 0.00 C ATOM 701 C ILE A 44 45.134 42.548 28.977 1.00 0.00 C ATOM 702 O ILE A 44 45.104 43.770 28.851 1.00 0.00 O ATOM 703 CB ILE A 44 47.420 41.751 29.802 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.496 40.699 29.551 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.773 41.517 31.164 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.683 40.734 30.509 1.00 0.00 C ATOM 0 H ILE A 44 47.236 43.206 27.468 1.00 0.00 H new ATOM 0 HA ILE A 44 46.083 40.710 28.551 1.00 0.00 H new ATOM 0 HB ILE A 44 47.874 42.742 29.820 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.035 39.713 29.606 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.868 40.820 28.534 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.540 41.529 31.938 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.046 42.304 31.361 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.270 40.550 31.167 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.388 39.947 30.243 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.178 41.703 30.440 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.332 40.578 31.529 1.00 0.00 H new ATOM 718 N PHE A 45 44.099 41.858 29.449 1.00 0.00 N ATOM 719 CA PHE A 45 42.920 42.436 30.062 1.00 0.00 C ATOM 720 C PHE A 45 42.628 41.729 31.387 1.00 0.00 C ATOM 721 O PHE A 45 42.426 40.517 31.404 1.00 0.00 O ATOM 722 CB PHE A 45 41.734 42.327 29.109 1.00 0.00 C ATOM 723 CG PHE A 45 40.468 42.964 29.631 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.460 44.313 30.005 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.303 42.200 29.760 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.301 44.888 30.540 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.139 42.772 30.287 1.00 0.00 C ATOM 728 CZ PHE A 45 38.145 44.112 30.694 1.00 0.00 C ATOM 0 H PHE A 45 44.064 40.839 29.410 1.00 0.00 H new ATOM 0 HA PHE A 45 43.095 43.492 30.268 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.999 42.793 28.160 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.541 41.274 28.904 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.350 44.912 29.881 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.302 41.165 29.452 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.298 45.927 30.833 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.239 42.182 30.379 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.257 44.548 31.127 1.00 0.00 H new ATOM 738 N ALA A 46 42.598 42.470 32.491 1.00 0.00 N ATOM 739 CA ALA A 46 42.270 41.984 33.817 1.00 0.00 C ATOM 740 C ALA A 46 42.970 40.673 34.180 1.00 0.00 C ATOM 741 O ALA A 46 42.344 39.673 34.525 1.00 0.00 O ATOM 742 CB ALA A 46 40.752 41.969 33.975 1.00 0.00 C ATOM 0 H ALA A 46 42.812 43.467 32.480 1.00 0.00 H new ATOM 0 HA ALA A 46 42.672 42.672 34.560 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.493 41.605 34.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.363 42.979 33.846 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.314 41.312 33.223 1.00 0.00 H new ATOM 748 N GLY A 47 44.290 40.654 34.021 1.00 0.00 N ATOM 749 CA GLY A 47 45.166 39.536 34.307 1.00 0.00 C ATOM 750 C GLY A 47 45.192 38.392 33.291 1.00 0.00 C ATOM 751 O GLY A 47 46.000 37.481 33.463 1.00 0.00 O ATOM 0 H GLY A 47 44.799 41.465 33.670 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.181 39.920 34.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.882 39.122 35.275 1.00 0.00 H new ATOM 755 N LYS A 48 44.356 38.391 32.257 1.00 0.00 N ATOM 756 CA LYS A 48 44.311 37.366 31.234 1.00 0.00 C ATOM 757 C LYS A 48 44.896 37.874 29.914 1.00 0.00 C ATOM 758 O LYS A 48 44.651 39.019 29.540 1.00 0.00 O ATOM 759 CB LYS A 48 42.889 36.843 31.055 1.00 0.00 C ATOM 760 CG LYS A 48 42.295 36.275 32.341 1.00 0.00 C ATOM 761 CD LYS A 48 40.994 35.523 32.083 1.00 0.00 C ATOM 762 CE LYS A 48 40.402 35.027 33.399 1.00 0.00 C ATOM 763 NZ LYS A 48 39.161 34.265 33.190 1.00 0.00 N ATOM 0 H LYS A 48 43.670 39.131 32.109 1.00 0.00 H new ATOM 0 HA LYS A 48 44.932 36.532 31.562 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.253 37.652 30.694 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.887 36.069 30.288 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.016 35.604 32.808 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.112 37.086 33.045 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.282 36.176 31.579 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.179 34.679 31.418 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.131 34.400 33.911 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.200 35.878 34.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.791 33.946 34.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.456 34.871 32.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.358 33.439 32.590 1.00 0.00 H new ATOM 777 N GLN A 49 45.650 37.045 29.198 1.00 0.00 N ATOM 778 CA GLN A 49 46.164 37.372 27.884 1.00 0.00 C ATOM 779 C GLN A 49 45.073 37.244 26.819 1.00 0.00 C ATOM 780 O GLN A 49 44.294 36.294 26.840 1.00 0.00 O ATOM 781 CB GLN A 49 47.381 36.518 27.536 1.00 0.00 C ATOM 782 CG GLN A 49 48.626 36.951 28.305 1.00 0.00 C ATOM 783 CD GLN A 49 49.870 36.167 27.884 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.673 36.626 27.074 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.113 34.983 28.439 1.00 0.00 N ATOM 0 H GLN A 49 45.921 36.117 29.524 1.00 0.00 H new ATOM 0 HA GLN A 49 46.488 38.412 27.904 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.165 35.473 27.757 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.576 36.584 26.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.798 38.015 28.144 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.457 36.814 29.373 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.455 34.591 29.113 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.957 34.467 28.191 1.00 0.00 H new ATOM 794 N LEU A 50 45.033 38.180 25.875 1.00 0.00 N ATOM 795 CA LEU A 50 44.080 38.194 24.783 1.00 0.00 C ATOM 796 C LEU A 50 44.604 37.376 23.601 1.00 0.00 C ATOM 797 O LEU A 50 45.672 37.661 23.064 1.00 0.00 O ATOM 798 CB LEU A 50 43.762 39.629 24.373 1.00 0.00 C ATOM 799 CG LEU A 50 43.200 40.522 25.475 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.889 41.905 24.908 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.914 39.956 26.069 1.00 0.00 C ATOM 0 H LEU A 50 45.681 38.967 25.853 1.00 0.00 H new ATOM 0 HA LEU A 50 43.153 37.730 25.120 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.673 40.088 23.988 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.046 39.603 23.551 1.00 0.00 H new ATOM 0 HG LEU A 50 43.955 40.578 26.259 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.488 42.540 25.698 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.802 42.350 24.513 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.155 41.813 24.108 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.549 40.624 26.849 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.160 39.866 25.287 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.112 38.973 26.496 1.00 0.00 H new ATOM 813 N GLU A 51 43.839 36.369 23.189 1.00 0.00 N ATOM 814 CA GLU A 51 44.260 35.347 22.253 1.00 0.00 C ATOM 815 C GLU A 51 43.645 35.496 20.860 1.00 0.00 C ATOM 816 O GLU A 51 42.493 35.885 20.687 1.00 0.00 O ATOM 817 CB GLU A 51 43.996 33.965 22.843 1.00 0.00 C ATOM 818 CG GLU A 51 44.939 33.693 24.013 1.00 0.00 C ATOM 819 CD GLU A 51 44.772 32.269 24.548 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.033 31.316 23.783 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.380 32.113 25.724 1.00 0.00 O ATOM 0 H GLU A 51 42.879 36.244 23.511 1.00 0.00 H new ATOM 0 HA GLU A 51 45.332 35.474 22.101 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.961 33.898 23.179 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.131 33.203 22.075 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.970 33.844 23.693 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.745 34.408 24.812 1.00 0.00 H new ATOM 828 N ASP A 52 44.436 35.145 19.850 1.00 0.00 N ATOM 829 CA ASP A 52 44.101 35.320 18.452 1.00 0.00 C ATOM 830 C ASP A 52 42.944 34.407 18.042 1.00 0.00 C ATOM 831 O ASP A 52 42.804 33.293 18.542 1.00 0.00 O ATOM 832 CB ASP A 52 45.348 35.124 17.594 1.00 0.00 C ATOM 833 CG ASP A 52 46.549 35.935 18.084 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.609 37.162 17.855 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.446 35.352 18.730 1.00 0.00 O ATOM 0 H ASP A 52 45.352 34.720 19.992 1.00 0.00 H new ATOM 0 HA ASP A 52 43.749 36.339 18.289 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.612 34.066 17.584 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.122 35.406 16.566 1.00 0.00 H new ATOM 840 N GLY A 53 42.094 34.863 17.127 1.00 0.00 N ATOM 841 CA GLY A 53 40.889 34.186 16.692 1.00 0.00 C ATOM 842 C GLY A 53 39.614 34.539 17.461 1.00 0.00 C ATOM 843 O GLY A 53 38.518 34.319 16.952 1.00 0.00 O ATOM 0 H GLY A 53 42.238 35.754 16.651 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.729 34.410 15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.051 33.111 16.768 1.00 0.00 H new ATOM 847 N ARG A 54 39.741 35.120 18.651 1.00 0.00 N ATOM 848 CA ARG A 54 38.649 35.576 19.487 1.00 0.00 C ATOM 849 C ARG A 54 38.311 37.043 19.216 1.00 0.00 C ATOM 850 O ARG A 54 39.052 37.721 18.508 1.00 0.00 O ATOM 851 CB ARG A 54 38.983 35.339 20.957 1.00 0.00 C ATOM 852 CG ARG A 54 39.476 33.923 21.238 1.00 0.00 C ATOM 853 CD ARG A 54 39.624 33.680 22.738 1.00 0.00 C ATOM 854 NE ARG A 54 40.345 32.436 23.007 1.00 0.00 N ATOM 855 CZ ARG A 54 40.315 31.740 24.153 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.613 32.142 25.220 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.009 30.600 24.275 1.00 0.00 N ATOM 0 H ARG A 54 40.654 35.291 19.073 1.00 0.00 H new ATOM 0 HA ARG A 54 37.759 34.997 19.239 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.746 36.052 21.269 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.097 35.535 21.561 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.777 33.201 20.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.435 33.764 20.744 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.155 34.516 23.193 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.638 33.639 23.201 1.00 0.00 H new ATOM 0 HE ARG A 54 40.924 32.064 22.254 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.074 33.007 25.180 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.617 31.583 26.073 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.566 30.256 23.493 1.00 0.00 H new ATOM 0 HH22 ARG A 54 40.981 30.077 25.150 1.00 0.00 H new ATOM 871 N THR A 55 37.220 37.535 19.798 1.00 0.00 N ATOM 872 CA THR A 55 36.768 38.908 19.705 1.00 0.00 C ATOM 873 C THR A 55 36.733 39.613 21.062 1.00 0.00 C ATOM 874 O THR A 55 36.698 38.965 22.105 1.00 0.00 O ATOM 875 CB THR A 55 35.402 39.031 19.036 1.00 0.00 C ATOM 876 OG1 THR A 55 34.399 38.379 19.783 1.00 0.00 O ATOM 877 CG2 THR A 55 35.368 38.469 17.617 1.00 0.00 C ATOM 0 H THR A 55 36.605 36.957 20.371 1.00 0.00 H new ATOM 0 HA THR A 55 37.509 39.405 19.078 1.00 0.00 H new ATOM 0 HB THR A 55 35.212 40.103 18.991 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.603 37.422 19.839 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.367 38.589 17.202 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.085 39.005 16.996 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.627 37.410 17.639 1.00 0.00 H new ATOM 885 N LEU A 56 36.725 40.943 21.062 1.00 0.00 N ATOM 886 CA LEU A 56 36.713 41.750 22.266 1.00 0.00 C ATOM 887 C LEU A 56 35.534 41.433 23.188 1.00 0.00 C ATOM 888 O LEU A 56 35.703 41.347 24.403 1.00 0.00 O ATOM 889 CB LEU A 56 36.726 43.228 21.887 1.00 0.00 C ATOM 890 CG LEU A 56 37.971 43.718 21.154 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.833 45.211 20.869 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.257 43.539 21.955 1.00 0.00 C ATOM 0 H LEU A 56 36.727 41.496 20.205 1.00 0.00 H new ATOM 0 HA LEU A 56 37.611 41.506 22.834 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.857 43.430 21.261 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.608 43.817 22.796 1.00 0.00 H new ATOM 0 HG LEU A 56 38.041 43.119 20.246 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.721 45.565 20.345 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.953 45.383 20.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.726 45.752 21.809 1.00 0.00 H new ATOM 0 HD21 LEU A 56 40.102 43.908 21.374 1.00 0.00 H new ATOM 0 HD22 LEU A 56 39.186 44.099 22.888 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.403 42.482 22.177 1.00 0.00 H new ATOM 904 N SER A 57 34.355 41.195 22.623 1.00 0.00 N ATOM 905 CA SER A 57 33.176 40.777 23.355 1.00 0.00 C ATOM 906 C SER A 57 33.324 39.426 24.057 1.00 0.00 C ATOM 907 O SER A 57 32.738 39.260 25.125 1.00 0.00 O ATOM 908 CB SER A 57 31.946 40.745 22.453 1.00 0.00 C ATOM 909 OG SER A 57 32.162 39.930 21.323 1.00 0.00 O ATOM 0 H SER A 57 34.194 41.291 21.620 1.00 0.00 H new ATOM 0 HA SER A 57 33.049 41.529 24.134 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.090 40.372 23.015 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.701 41.758 22.133 1.00 0.00 H new ATOM 0 HG SER A 57 32.636 40.443 20.636 1.00 0.00 H new ATOM 915 N ASP A 58 34.129 38.488 23.567 1.00 0.00 N ATOM 916 CA ASP A 58 34.334 37.207 24.213 1.00 0.00 C ATOM 917 C ASP A 58 35.071 37.333 25.548 1.00 0.00 C ATOM 918 O ASP A 58 34.959 36.466 26.411 1.00 0.00 O ATOM 919 CB ASP A 58 35.089 36.251 23.295 1.00 0.00 C ATOM 920 CG ASP A 58 34.390 36.013 21.955 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.173 35.727 21.934 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.070 36.087 20.909 1.00 0.00 O ATOM 0 H ASP A 58 34.659 38.602 22.703 1.00 0.00 H new ATOM 0 HA ASP A 58 33.343 36.804 24.421 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.087 36.649 23.110 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.217 35.296 23.804 1.00 0.00 H new ATOM 927 N TYR A 59 35.796 38.432 25.740 1.00 0.00 N ATOM 928 CA TYR A 59 36.462 38.811 26.969 1.00 0.00 C ATOM 929 C TYR A 59 35.679 39.819 27.814 1.00 0.00 C ATOM 930 O TYR A 59 36.207 40.279 28.823 1.00 0.00 O ATOM 931 CB TYR A 59 37.859 39.322 26.632 1.00 0.00 C ATOM 932 CG TYR A 59 38.825 38.253 26.180 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.531 37.512 27.136 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.055 38.043 24.816 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.472 36.555 26.738 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.013 37.106 24.406 1.00 0.00 C ATOM 937 CZ TYR A 59 40.724 36.359 25.365 1.00 0.00 C ATOM 938 OH TYR A 59 41.648 35.440 24.963 1.00 0.00 O ATOM 0 H TYR A 59 35.938 39.116 24.997 1.00 0.00 H new ATOM 0 HA TYR A 59 36.529 37.923 27.597 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.777 40.075 25.848 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.272 39.819 27.510 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.348 37.680 28.187 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.495 38.602 24.081 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.001 35.971 27.477 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.206 36.957 23.354 1.00 0.00 H new ATOM 0 HH TYR A 59 42.482 35.576 25.460 1.00 0.00 H new ATOM 948 N ASN A 60 34.451 40.170 27.441 1.00 0.00 N ATOM 949 CA ASN A 60 33.652 41.206 28.065 1.00 0.00 C ATOM 950 C ASN A 60 34.334 42.574 28.117 1.00 0.00 C ATOM 951 O ASN A 60 34.137 43.346 29.053 1.00 0.00 O ATOM 952 CB ASN A 60 33.079 40.720 29.393 1.00 0.00 C ATOM 953 CG ASN A 60 32.014 39.630 29.256 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.341 39.487 28.238 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.758 38.873 30.318 1.00 0.00 N ATOM 0 H ASN A 60 33.971 39.718 26.663 1.00 0.00 H new ATOM 0 HA ASN A 60 32.799 41.397 27.414 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.894 40.341 30.010 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.647 41.570 29.922 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.009 38.182 30.283 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.311 38.983 31.168 1.00 0.00 H new ATOM 962 N ILE A 61 35.123 42.915 27.102 1.00 0.00 N ATOM 963 CA ILE A 61 35.710 44.231 26.946 1.00 0.00 C ATOM 964 C ILE A 61 34.631 45.203 26.469 1.00 0.00 C ATOM 965 O ILE A 61 33.933 44.936 25.494 1.00 0.00 O ATOM 966 CB ILE A 61 36.918 44.171 26.014 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.032 43.337 26.641 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.429 45.566 25.667 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.091 42.873 25.644 1.00 0.00 C ATOM 0 H ILE A 61 35.373 42.268 26.354 1.00 0.00 H new ATOM 0 HA ILE A 61 36.085 44.596 27.902 1.00 0.00 H new ATOM 0 HB ILE A 61 36.598 43.695 25.087 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.515 43.923 27.423 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.592 42.463 27.122 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.289 45.484 25.002 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.639 46.130 25.170 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.724 46.083 26.580 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.848 42.287 26.164 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.622 42.260 24.875 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.559 43.741 25.180 1.00 0.00 H new ATOM 981 N GLN A 62 34.473 46.316 27.181 1.00 0.00 N ATOM 982 CA GLN A 62 33.428 47.306 27.012 1.00 0.00 C ATOM 983 C GLN A 62 33.996 48.722 26.894 1.00 0.00 C ATOM 984 O GLN A 62 35.172 48.960 27.157 1.00 0.00 O ATOM 985 CB GLN A 62 32.462 47.178 28.187 1.00 0.00 C ATOM 986 CG GLN A 62 31.595 45.924 28.141 1.00 0.00 C ATOM 987 CD GLN A 62 31.121 45.491 29.529 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.056 45.855 30.022 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.900 44.672 30.232 1.00 0.00 N ATOM 0 H GLN A 62 35.114 46.560 27.936 1.00 0.00 H new ATOM 0 HA GLN A 62 32.898 47.123 26.078 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.033 47.179 29.116 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.815 48.055 28.210 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.729 46.108 27.505 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.160 45.112 27.683 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.789 44.356 29.844 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.608 44.361 31.158 1.00 0.00 H new ATOM 998 N LYS A 63 33.158 49.681 26.511 1.00 0.00 N ATOM 999 CA LYS A 63 33.458 51.092 26.376 1.00 0.00 C ATOM 1000 C LYS A 63 34.229 51.651 27.575 1.00 0.00 C ATOM 1001 O LYS A 63 33.786 51.529 28.715 1.00 0.00 O ATOM 1002 CB LYS A 63 32.143 51.832 26.149 1.00 0.00 C ATOM 1003 CG LYS A 63 32.236 53.356 26.124 1.00 0.00 C ATOM 1004 CD LYS A 63 30.980 53.957 25.500 1.00 0.00 C ATOM 1005 CE LYS A 63 30.735 55.428 25.819 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.882 56.303 25.531 1.00 0.00 N ATOM 0 H LYS A 63 32.188 49.473 26.272 1.00 0.00 H new ATOM 0 HA LYS A 63 34.121 51.237 25.523 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.717 51.497 25.203 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.444 51.542 26.934 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.363 53.735 27.138 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.114 53.664 25.556 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.041 53.842 24.418 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.117 53.381 25.834 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.874 55.775 25.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.476 55.522 26.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.555 57.286 25.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.573 56.236 26.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.330 56.006 24.640 1.00 0.00 H new ATOM 1020 N GLU A 64 35.375 52.263 27.294 1.00 0.00 N ATOM 1021 CA GLU A 64 36.270 52.925 28.221 1.00 0.00 C ATOM 1022 C GLU A 64 36.870 52.031 29.309 1.00 0.00 C ATOM 1023 O GLU A 64 37.390 52.520 30.309 1.00 0.00 O ATOM 1024 CB GLU A 64 35.668 54.245 28.693 1.00 0.00 C ATOM 1025 CG GLU A 64 35.594 55.245 27.543 1.00 0.00 C ATOM 1026 CD GLU A 64 34.684 56.427 27.885 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.449 56.256 27.795 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.194 57.530 28.174 1.00 0.00 O ATOM 0 H GLU A 64 35.724 52.309 26.337 1.00 0.00 H new ATOM 0 HA GLU A 64 37.173 53.181 27.667 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.670 54.072 29.096 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.271 54.657 29.502 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.595 55.610 27.312 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.222 54.745 26.648 1.00 0.00 H new ATOM 1035 N SER A 65 36.884 50.721 29.081 1.00 0.00 N ATOM 1036 CA SER A 65 37.725 49.790 29.806 1.00 0.00 C ATOM 1037 C SER A 65 39.206 49.944 29.453 1.00 0.00 C ATOM 1038 O SER A 65 39.554 50.425 28.378 1.00 0.00 O ATOM 1039 CB SER A 65 37.282 48.349 29.568 1.00 0.00 C ATOM 1040 OG SER A 65 35.997 48.150 30.115 1.00 0.00 O ATOM 0 H SER A 65 36.299 50.275 28.374 1.00 0.00 H new ATOM 0 HA SER A 65 37.609 50.030 30.863 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.270 48.134 28.500 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.993 47.660 30.024 1.00 0.00 H new ATOM 0 HG SER A 65 35.319 48.323 29.429 1.00 0.00 H new ATOM 1046 N THR A 66 40.077 49.509 30.359 1.00 0.00 N ATOM 1047 CA THR A 66 41.517 49.605 30.238 1.00 0.00 C ATOM 1048 C THR A 66 42.168 48.244 29.983 1.00 0.00 C ATOM 1049 O THR A 66 42.043 47.319 30.782 1.00 0.00 O ATOM 1050 CB THR A 66 42.131 50.271 31.465 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.598 51.565 31.637 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.642 50.456 31.353 1.00 0.00 C ATOM 0 H THR A 66 39.782 49.064 31.228 1.00 0.00 H new ATOM 0 HA THR A 66 41.717 50.231 29.368 1.00 0.00 H new ATOM 0 HB THR A 66 41.900 49.607 32.298 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.999 51.981 32.429 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.018 50.935 32.257 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.120 49.484 31.232 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.869 51.082 30.490 1.00 0.00 H new ATOM 1060 N LEU A 67 42.924 48.153 28.892 1.00 0.00 N ATOM 1061 CA LEU A 67 43.791 47.054 28.520 1.00 0.00 C ATOM 1062 C LEU A 67 45.250 47.440 28.769 1.00 0.00 C ATOM 1063 O LEU A 67 45.588 48.617 28.865 1.00 0.00 O ATOM 1064 CB LEU A 67 43.571 46.704 27.050 1.00 0.00 C ATOM 1065 CG LEU A 67 42.365 45.824 26.732 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.017 46.465 27.045 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.388 45.496 25.242 1.00 0.00 C ATOM 0 H LEU A 67 42.943 48.902 28.200 1.00 0.00 H new ATOM 0 HA LEU A 67 43.555 46.180 29.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.472 47.633 26.489 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.466 46.203 26.681 1.00 0.00 H new ATOM 0 HG LEU A 67 42.454 44.942 27.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.216 45.771 26.789 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.965 46.703 28.107 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.905 47.380 26.463 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.533 44.867 24.995 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.338 46.420 24.665 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.310 44.967 25.000 1.00 0.00 H new ATOM 1079 N HIS A 68 46.137 46.450 28.822 1.00 0.00 N ATOM 1080 CA HIS A 68 47.566 46.640 28.970 1.00 0.00 C ATOM 1081 C HIS A 68 48.326 46.014 27.798 1.00 0.00 C ATOM 1082 O HIS A 68 48.010 44.906 27.371 1.00 0.00 O ATOM 1083 CB HIS A 68 48.023 46.099 30.322 1.00 0.00 C ATOM 1084 CG HIS A 68 47.357 46.784 31.485 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.280 46.282 32.212 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.705 48.007 31.995 1.00 0.00 C ATOM 1087 CE1 HIS A 68 45.989 47.209 33.128 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.821 48.258 33.026 1.00 0.00 N ATOM 0 H HIS A 68 45.868 45.468 28.761 1.00 0.00 H new ATOM 0 HA HIS A 68 47.793 47.706 28.948 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.814 45.030 30.369 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.103 46.217 30.408 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.508 48.646 31.659 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.192 47.126 33.853 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.803 49.095 33.609 1.00 0.00 H new ATOM 1096 N LEU A 69 49.332 46.723 27.294 1.00 0.00 N ATOM 1097 CA LEU A 69 50.227 46.302 26.235 1.00 0.00 C ATOM 1098 C LEU A 69 51.637 46.145 26.806 1.00 0.00 C ATOM 1099 O LEU A 69 52.187 47.089 27.370 1.00 0.00 O ATOM 1100 CB LEU A 69 50.163 47.322 25.103 1.00 0.00 C ATOM 1101 CG LEU A 69 51.290 47.279 24.075 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.340 45.986 23.267 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.131 48.437 23.094 1.00 0.00 C ATOM 0 H LEU A 69 49.552 47.658 27.637 1.00 0.00 H new ATOM 0 HA LEU A 69 49.931 45.336 25.827 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.218 47.187 24.577 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.143 48.319 25.544 1.00 0.00 H new ATOM 0 HG LEU A 69 52.216 47.348 24.645 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.167 46.032 22.558 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.486 45.141 23.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.403 45.860 22.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.936 48.405 22.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.172 48.352 22.584 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.171 49.382 23.636 1.00 0.00 H new ATOM 1115 N VAL A 70 52.245 44.982 26.597 1.00 0.00 N ATOM 1116 CA VAL A 70 53.643 44.719 26.876 1.00 0.00 C ATOM 1117 C VAL A 70 54.313 44.044 25.677 1.00 0.00 C ATOM 1118 O VAL A 70 53.649 43.448 24.831 1.00 0.00 O ATOM 1119 CB VAL A 70 53.852 43.947 28.175 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.425 44.765 29.391 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.119 42.609 28.220 1.00 0.00 C ATOM 0 H VAL A 70 51.757 44.172 26.215 1.00 0.00 H new ATOM 0 HA VAL A 70 54.132 45.680 27.032 1.00 0.00 H new ATOM 0 HB VAL A 70 54.924 43.750 28.205 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.589 44.182 30.297 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.013 45.681 29.438 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.368 45.016 29.307 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.315 42.118 29.173 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.047 42.777 28.112 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.470 41.974 27.406 1.00 0.00 H new ATOM 1131 N LEU A 71 55.628 44.205 25.561 1.00 0.00 N ATOM 1132 CA LEU A 71 56.393 43.792 24.403 1.00 0.00 C ATOM 1133 C LEU A 71 57.194 42.522 24.696 1.00 0.00 C ATOM 1134 O LEU A 71 57.865 42.426 25.722 1.00 0.00 O ATOM 1135 CB LEU A 71 57.232 44.971 23.920 1.00 0.00 C ATOM 1136 CG LEU A 71 56.427 46.204 23.518 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.358 47.326 23.069 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.440 45.932 22.386 1.00 0.00 C ATOM 0 H LEU A 71 56.198 44.636 26.289 1.00 0.00 H new ATOM 0 HA LEU A 71 55.730 43.515 23.583 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.930 45.251 24.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.829 44.649 23.067 1.00 0.00 H new ATOM 0 HG LEU A 71 55.863 46.492 24.405 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.768 48.197 22.786 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.028 47.592 23.887 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.944 46.992 22.213 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.899 46.848 22.147 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.983 45.591 21.504 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.733 45.163 22.697 1.00 0.00 H new ATOM 1150 N ARG A 72 57.114 41.534 23.809 1.00 0.00 N ATOM 1151 CA ARG A 72 57.613 40.193 24.033 1.00 0.00 C ATOM 1152 C ARG A 72 59.127 40.144 24.252 1.00 0.00 C ATOM 1153 O ARG A 72 59.594 39.536 25.213 1.00 0.00 O ATOM 1154 CB ARG A 72 57.199 39.270 22.890 1.00 0.00 C ATOM 1155 CG ARG A 72 55.694 39.135 22.686 1.00 0.00 C ATOM 1156 CD ARG A 72 55.356 37.928 21.816 1.00 0.00 C ATOM 1157 NE ARG A 72 53.943 37.886 21.439 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.161 36.807 21.292 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.526 35.558 21.611 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.924 36.905 20.786 1.00 0.00 N ATOM 0 H ARG A 72 56.687 41.654 22.891 1.00 0.00 H new ATOM 0 HA ARG A 72 57.158 39.841 24.959 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.645 39.638 21.966 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.616 38.280 23.073 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.202 39.037 23.653 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.306 40.041 22.221 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.968 37.951 20.915 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.613 37.014 22.352 1.00 0.00 H new ATOM 0 HE ARG A 72 53.499 38.788 21.267 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.454 35.380 21.994 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.875 34.785 21.471 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.559 37.815 20.503 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.347 36.070 20.684 1.00 0.00 H new ATOM 1174 N LEU A 73 59.895 40.877 23.453 1.00 0.00 N ATOM 1175 CA LEU A 73 61.333 41.019 23.571 1.00 0.00 C ATOM 1176 C LEU A 73 61.783 42.025 24.632 1.00 0.00 C ATOM 1177 O LEU A 73 62.966 42.348 24.700 1.00 0.00 O ATOM 1178 CB LEU A 73 61.926 41.318 22.198 1.00 0.00 C ATOM 1179 CG LEU A 73 61.817 40.188 21.178 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.466 40.620 19.867 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.511 38.917 21.659 1.00 0.00 C ATOM 0 H LEU A 73 59.511 41.410 22.673 1.00 0.00 H new ATOM 0 HA LEU A 73 61.722 40.068 23.934 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.432 42.200 21.792 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.979 41.572 22.323 1.00 0.00 H new ATOM 0 HG LEU A 73 60.757 39.976 21.040 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.388 39.813 19.139 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.958 41.505 19.484 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.517 40.852 20.040 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.409 38.138 20.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.568 39.122 21.829 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.052 38.582 22.589 1.00 0.00 H new ATOM 1193 N ARG A 74 60.872 42.518 25.466 1.00 0.00 N ATOM 1194 CA ARG A 74 61.135 43.435 26.557 1.00 0.00 C ATOM 1195 C ARG A 74 60.587 42.950 27.901 1.00 0.00 C ATOM 1196 O ARG A 74 60.490 43.733 28.843 1.00 0.00 O ATOM 1197 CB ARG A 74 60.676 44.847 26.205 1.00 0.00 C ATOM 1198 CG ARG A 74 61.068 45.299 24.803 1.00 0.00 C ATOM 1199 CD ARG A 74 60.849 46.795 24.585 1.00 0.00 C ATOM 1200 NE ARG A 74 60.911 47.136 23.163 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.870 48.366 22.635 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.737 49.476 23.372 1.00 0.00 N ATOM 1203 NH2 ARG A 74 60.951 48.563 21.312 1.00 0.00 N ATOM 0 H ARG A 74 59.885 42.274 25.391 1.00 0.00 H new ATOM 0 HA ARG A 74 62.216 43.466 26.692 1.00 0.00 H new ATOM 0 HB2 ARG A 74 59.592 44.899 26.302 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.095 45.545 26.930 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.117 45.060 24.628 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.487 44.740 24.069 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.880 47.086 24.990 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.605 47.359 25.131 1.00 0.00 H new ATOM 0 HE ARG A 74 60.994 46.358 22.508 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.661 49.408 24.387 1.00 0.00 H new ATOM 0 HH12 ARG A 74 60.711 50.389 22.918 1.00 0.00 H new ATOM 0 HH21 ARG A 74 61.046 47.766 20.683 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.917 49.510 20.934 1.00 0.00 H new ATOM 1217 N GLY A 75 60.216 41.677 28.006 1.00 0.00 N ATOM 1218 CA GLY A 75 59.619 41.081 29.184 1.00 0.00 C ATOM 1219 C GLY A 75 60.580 40.665 30.300 1.00 0.00 C ATOM 1220 O GLY A 75 60.113 40.405 31.407 1.00 0.00 O ATOM 0 H GLY A 75 60.330 41.012 27.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 58.901 41.789 29.598 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.056 40.201 28.873 1.00 0.00 H new ATOM 1224 N GLY A 76 61.881 40.602 30.030 1.00 0.00 N ATOM 1225 CA GLY A 76 62.927 40.278 30.978 1.00 0.00 C ATOM 1226 C GLY A 76 63.454 41.486 31.753 1.00 0.00 C ATOM 1227 O GLY A 76 63.450 41.437 33.002 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.894 42.463 31.108 1.00 0.00 O ATOM 0 H GLY A 76 62.246 40.786 29.095 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.547 39.541 31.686 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.755 39.811 30.445 1.00 0.00 H new TER 1232 GLY A 76