USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 60 ASN : amide:sc= 0.826 K(o=1.8,f=-1) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.96 K(o=1.8,f=-0.64) USER MOD Set 2.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot -82:sc= 0.888 USER MOD Single : A 1 MET CE :methyl -163:sc= 0 (180deg=-0.194) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.42 (180deg=2.28) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -69:sc= 1.28 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= 0.429 (180deg=0.062!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.105 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00216 USER MOD Single : A 25 ASN : amide:sc= 1.01 K(o=1,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1.27 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.1) USER MOD Single : A 40 GLN : amide:sc= 0.66 K(o=0.66,f=-0.73) USER MOD Single : A 41 GLN : amide:sc= 0.813 K(o=0.81,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.378 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 72:sc= 1.6 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 33.152 51.699 19.976 1.00 0.00 N ATOM 2 CA MET A 1 33.411 52.144 21.354 1.00 0.00 C ATOM 3 C MET A 1 34.898 52.428 21.578 1.00 0.00 C ATOM 4 O MET A 1 35.738 51.719 21.030 1.00 0.00 O ATOM 5 CB MET A 1 32.881 51.144 22.377 1.00 0.00 C ATOM 6 CG MET A 1 33.541 49.770 22.315 1.00 0.00 C ATOM 7 SD MET A 1 32.804 48.560 23.442 1.00 0.00 S ATOM 8 CE MET A 1 33.900 47.158 23.111 1.00 0.00 C ATOM 0 H1 MET A 1 32.141 51.482 19.865 1.00 0.00 H new ATOM 0 H2 MET A 1 33.419 52.453 19.312 1.00 0.00 H new ATOM 0 H3 MET A 1 33.713 50.846 19.775 1.00 0.00 H new ATOM 0 HA MET A 1 32.869 53.078 21.499 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.021 51.556 23.376 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.808 51.025 22.229 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.476 49.391 21.295 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.600 49.874 22.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.437 46.240 23.473 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.074 47.077 22.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.851 47.311 23.622 1.00 0.00 H new ATOM 20 N GLN A 2 35.226 53.396 22.431 1.00 0.00 N ATOM 21 CA GLN A 2 36.587 53.642 22.858 1.00 0.00 C ATOM 22 C GLN A 2 36.990 52.686 23.981 1.00 0.00 C ATOM 23 O GLN A 2 36.241 52.530 24.944 1.00 0.00 O ATOM 24 CB GLN A 2 36.822 55.081 23.307 1.00 0.00 C ATOM 25 CG GLN A 2 36.548 56.170 22.273 1.00 0.00 C ATOM 26 CD GLN A 2 37.248 57.491 22.598 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.877 58.120 21.749 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.182 58.002 23.824 1.00 0.00 N ATOM 0 H GLN A 2 34.544 54.032 22.844 1.00 0.00 H new ATOM 0 HA GLN A 2 37.211 53.465 21.982 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.196 55.273 24.179 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.858 55.172 23.632 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.875 55.823 21.293 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.473 56.341 22.209 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.669 57.509 24.555 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.644 58.887 24.033 1.00 0.00 H new ATOM 37 N ILE A 3 38.185 52.108 23.902 1.00 0.00 N ATOM 38 CA ILE A 3 38.865 51.456 25.003 1.00 0.00 C ATOM 39 C ILE A 3 40.342 51.850 25.055 1.00 0.00 C ATOM 40 O ILE A 3 40.926 52.252 24.050 1.00 0.00 O ATOM 41 CB ILE A 3 38.678 49.942 25.042 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.454 49.122 24.017 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.205 49.542 25.058 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.132 49.387 22.549 1.00 0.00 C ATOM 0 H ILE A 3 38.721 52.083 23.035 1.00 0.00 H new ATOM 0 HA ILE A 3 38.382 51.824 25.908 1.00 0.00 H new ATOM 0 HB ILE A 3 39.140 49.676 25.993 1.00 0.00 H new ATOM 0 HG12 ILE A 3 40.518 49.302 24.171 1.00 0.00 H new ATOM 0 HG13 ILE A 3 39.277 48.066 24.220 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.123 48.455 25.086 1.00 0.00 H new ATOM 0 HG22 ILE A 3 36.723 49.965 25.939 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.716 49.920 24.160 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.747 48.744 21.920 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.079 49.176 22.364 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.339 50.431 22.314 1.00 0.00 H new ATOM 56 N PHE A 4 40.951 51.729 26.232 1.00 0.00 N ATOM 57 CA PHE A 4 42.282 52.229 26.513 1.00 0.00 C ATOM 58 C PHE A 4 43.301 51.102 26.701 1.00 0.00 C ATOM 59 O PHE A 4 42.994 50.076 27.302 1.00 0.00 O ATOM 60 CB PHE A 4 42.235 53.146 27.730 1.00 0.00 C ATOM 61 CG PHE A 4 41.173 54.219 27.668 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.309 55.293 26.780 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.044 54.134 28.492 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.316 56.278 26.716 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.057 55.125 28.435 1.00 0.00 C ATOM 66 CZ PHE A 4 39.190 56.195 27.543 1.00 0.00 C ATOM 0 H PHE A 4 40.517 51.268 27.032 1.00 0.00 H new ATOM 0 HA PHE A 4 42.619 52.800 25.648 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.068 52.539 28.620 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.208 53.623 27.847 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.180 55.362 26.145 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.935 53.303 29.173 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.419 57.103 26.027 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.193 55.064 29.080 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.425 56.956 27.493 1.00 0.00 H new ATOM 76 N VAL A 5 44.530 51.294 26.230 1.00 0.00 N ATOM 77 CA VAL A 5 45.626 50.357 26.366 1.00 0.00 C ATOM 78 C VAL A 5 46.822 51.053 27.018 1.00 0.00 C ATOM 79 O VAL A 5 47.481 51.886 26.397 1.00 0.00 O ATOM 80 CB VAL A 5 46.004 49.723 25.030 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.977 48.570 25.263 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.811 49.175 24.253 1.00 0.00 C ATOM 0 H VAL A 5 44.793 52.140 25.725 1.00 0.00 H new ATOM 0 HA VAL A 5 45.302 49.541 27.012 1.00 0.00 H new ATOM 0 HB VAL A 5 46.452 50.521 24.438 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.244 48.120 24.307 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.876 48.946 25.751 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.506 47.819 25.898 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.156 48.740 23.315 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.311 48.409 24.846 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.112 49.984 24.042 1.00 0.00 H new ATOM 92 N LYS A 6 47.100 50.731 28.277 1.00 0.00 N ATOM 93 CA LYS A 6 48.131 51.350 29.087 1.00 0.00 C ATOM 94 C LYS A 6 49.457 50.591 29.011 1.00 0.00 C ATOM 95 O LYS A 6 49.489 49.376 29.190 1.00 0.00 O ATOM 96 CB LYS A 6 47.588 51.510 30.504 1.00 0.00 C ATOM 97 CG LYS A 6 48.569 52.199 31.448 1.00 0.00 C ATOM 98 CD LYS A 6 47.921 52.636 32.759 1.00 0.00 C ATOM 99 CE LYS A 6 47.458 51.452 33.601 1.00 0.00 C ATOM 100 NZ LYS A 6 46.789 51.894 34.835 1.00 0.00 N ATOM 0 H LYS A 6 46.590 50.002 28.776 1.00 0.00 H new ATOM 0 HA LYS A 6 48.373 52.340 28.700 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.663 52.085 30.469 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.338 50.527 30.904 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.395 51.521 31.664 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.994 53.070 30.950 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.632 53.230 33.333 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.069 53.280 32.543 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.775 50.835 33.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.315 50.828 33.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.487 51.063 35.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.449 52.463 35.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.957 52.469 34.592 1.00 0.00 H new ATOM 114 N THR A 7 50.554 51.307 28.781 1.00 0.00 N ATOM 115 CA THR A 7 51.894 50.777 28.919 1.00 0.00 C ATOM 116 C THR A 7 52.430 50.970 30.339 1.00 0.00 C ATOM 117 O THR A 7 52.037 51.884 31.060 1.00 0.00 O ATOM 118 CB THR A 7 52.880 51.362 27.911 1.00 0.00 C ATOM 119 OG1 THR A 7 53.073 52.738 28.152 1.00 0.00 O ATOM 120 CG2 THR A 7 52.452 51.171 26.458 1.00 0.00 C ATOM 0 H THR A 7 50.530 52.284 28.490 1.00 0.00 H new ATOM 0 HA THR A 7 51.808 49.711 28.709 1.00 0.00 H new ATOM 0 HB THR A 7 53.810 50.811 28.053 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.255 53.228 27.924 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.199 51.611 25.798 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.359 50.106 26.243 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.491 51.659 26.295 1.00 0.00 H new ATOM 128 N LEU A 8 53.368 50.116 30.740 1.00 0.00 N ATOM 129 CA LEU A 8 53.926 50.088 32.077 1.00 0.00 C ATOM 130 C LEU A 8 54.955 51.186 32.348 1.00 0.00 C ATOM 131 O LEU A 8 55.401 51.323 33.484 1.00 0.00 O ATOM 132 CB LEU A 8 54.482 48.693 32.350 1.00 0.00 C ATOM 133 CG LEU A 8 53.492 47.543 32.186 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.186 46.222 32.504 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.277 47.668 33.101 1.00 0.00 C ATOM 0 H LEU A 8 53.767 49.408 30.123 1.00 0.00 H new ATOM 0 HA LEU A 8 53.120 50.306 32.777 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.325 48.521 31.681 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.872 48.670 33.367 1.00 0.00 H new ATOM 0 HG LEU A 8 53.145 47.577 31.153 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.478 45.402 32.387 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.024 46.078 31.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.552 46.241 33.531 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.610 46.821 32.938 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.604 47.678 34.141 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.748 48.595 32.879 1.00 0.00 H new ATOM 147 N THR A 9 55.350 51.966 31.345 1.00 0.00 N ATOM 148 CA THR A 9 56.389 52.972 31.431 1.00 0.00 C ATOM 149 C THR A 9 56.094 54.292 30.715 1.00 0.00 C ATOM 150 O THR A 9 56.829 55.254 30.928 1.00 0.00 O ATOM 151 CB THR A 9 57.720 52.427 30.922 1.00 0.00 C ATOM 152 OG1 THR A 9 57.589 51.792 29.670 1.00 0.00 O ATOM 153 CG2 THR A 9 58.313 51.393 31.875 1.00 0.00 C ATOM 0 H THR A 9 54.934 51.907 30.415 1.00 0.00 H new ATOM 0 HA THR A 9 56.435 53.206 32.495 1.00 0.00 H new ATOM 0 HB THR A 9 58.371 53.297 30.843 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.464 51.459 29.379 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.260 51.031 31.475 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.482 51.851 32.849 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.621 50.558 31.982 1.00 0.00 H new ATOM 161 N GLY A 10 55.056 54.385 29.890 1.00 0.00 N ATOM 162 CA GLY A 10 54.838 55.518 29.014 1.00 0.00 C ATOM 163 C GLY A 10 53.375 55.775 28.649 1.00 0.00 C ATOM 164 O GLY A 10 52.579 56.179 29.493 1.00 0.00 O ATOM 0 H GLY A 10 54.338 53.665 29.814 1.00 0.00 H new ATOM 0 HA2 GLY A 10 55.241 56.411 29.491 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.405 55.364 28.096 1.00 0.00 H new ATOM 168 N LYS A 11 53.051 55.618 27.369 1.00 0.00 N ATOM 169 CA LYS A 11 51.803 56.048 26.771 1.00 0.00 C ATOM 170 C LYS A 11 50.609 55.219 27.248 1.00 0.00 C ATOM 171 O LYS A 11 50.743 54.022 27.493 1.00 0.00 O ATOM 172 CB LYS A 11 51.967 56.041 25.254 1.00 0.00 C ATOM 173 CG LYS A 11 50.883 56.819 24.512 1.00 0.00 C ATOM 174 CD LYS A 11 51.042 56.814 22.995 1.00 0.00 C ATOM 175 CE LYS A 11 52.332 57.470 22.509 1.00 0.00 C ATOM 176 NZ LYS A 11 52.338 57.609 21.045 1.00 0.00 N ATOM 0 H LYS A 11 53.677 55.171 26.700 1.00 0.00 H new ATOM 0 HA LYS A 11 51.576 57.063 27.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.940 56.462 25.001 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.965 55.009 24.903 1.00 0.00 H new ATOM 0 HG2 LYS A 11 49.910 56.398 24.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.886 57.851 24.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.013 55.784 22.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 50.192 57.330 22.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.441 58.451 22.971 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.188 56.873 22.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.030 58.335 20.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.597 56.700 20.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.391 57.891 20.719 1.00 0.00 H new ATOM 190 N THR A 12 49.435 55.841 27.307 1.00 0.00 N ATOM 191 CA THR A 12 48.150 55.170 27.309 1.00 0.00 C ATOM 192 C THR A 12 47.473 55.453 25.967 1.00 0.00 C ATOM 193 O THR A 12 47.219 56.610 25.639 1.00 0.00 O ATOM 194 CB THR A 12 47.275 55.594 28.485 1.00 0.00 C ATOM 195 OG1 THR A 12 47.937 55.301 29.696 1.00 0.00 O ATOM 196 CG2 THR A 12 45.956 54.827 28.518 1.00 0.00 C ATOM 0 H THR A 12 49.355 56.857 27.356 1.00 0.00 H new ATOM 0 HA THR A 12 48.300 54.098 27.434 1.00 0.00 H new ATOM 0 HB THR A 12 47.082 56.660 28.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.375 55.575 30.451 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.363 55.159 29.370 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.404 55.013 27.597 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.158 53.760 28.610 1.00 0.00 H new ATOM 204 N ILE A 13 47.241 54.416 25.166 1.00 0.00 N ATOM 205 CA ILE A 13 46.723 54.511 23.815 1.00 0.00 C ATOM 206 C ILE A 13 45.197 54.406 23.843 1.00 0.00 C ATOM 207 O ILE A 13 44.659 53.458 24.408 1.00 0.00 O ATOM 208 CB ILE A 13 47.341 53.453 22.905 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.844 53.603 22.691 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.699 53.476 21.521 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.743 53.186 23.851 1.00 0.00 C ATOM 0 H ILE A 13 47.417 53.454 25.456 1.00 0.00 H new ATOM 0 HA ILE A 13 46.999 55.481 23.400 1.00 0.00 H new ATOM 0 HB ILE A 13 47.156 52.516 23.429 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.124 53.017 21.815 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.052 54.647 22.456 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.159 52.712 20.894 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.631 53.277 21.612 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.848 54.456 21.067 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.786 53.340 23.576 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.507 53.787 24.729 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.579 52.133 24.078 1.00 0.00 H new ATOM 223 N THR A 14 44.501 55.321 23.175 1.00 0.00 N ATOM 224 CA THR A 14 43.077 55.221 22.931 1.00 0.00 C ATOM 225 C THR A 14 42.836 54.540 21.582 1.00 0.00 C ATOM 226 O THR A 14 43.454 54.922 20.590 1.00 0.00 O ATOM 227 CB THR A 14 42.403 56.590 22.963 1.00 0.00 C ATOM 228 OG1 THR A 14 42.682 57.262 24.170 1.00 0.00 O ATOM 229 CG2 THR A 14 40.884 56.510 22.859 1.00 0.00 C ATOM 0 H THR A 14 44.923 56.164 22.784 1.00 0.00 H new ATOM 0 HA THR A 14 42.635 54.622 23.727 1.00 0.00 H new ATOM 0 HB THR A 14 42.804 57.122 22.100 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.119 56.898 24.885 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.464 57.515 22.887 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.608 56.028 21.921 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.492 55.929 23.694 1.00 0.00 H new ATOM 237 N LEU A 15 41.935 53.562 21.531 1.00 0.00 N ATOM 238 CA LEU A 15 41.498 52.911 20.313 1.00 0.00 C ATOM 239 C LEU A 15 39.971 52.872 20.228 1.00 0.00 C ATOM 240 O LEU A 15 39.299 52.721 21.246 1.00 0.00 O ATOM 241 CB LEU A 15 42.129 51.523 20.238 1.00 0.00 C ATOM 242 CG LEU A 15 42.153 50.918 18.837 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.225 51.560 17.961 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.450 49.423 18.911 1.00 0.00 C ATOM 0 H LEU A 15 41.479 53.194 22.366 1.00 0.00 H new ATOM 0 HA LEU A 15 41.831 53.482 19.447 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.151 51.581 20.614 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.583 50.852 20.901 1.00 0.00 H new ATOM 0 HG LEU A 15 41.171 51.099 18.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 43.209 51.102 16.972 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.028 52.628 17.869 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.204 51.409 18.415 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.464 49.005 17.905 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.421 49.268 19.382 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.678 48.927 19.499 1.00 0.00 H new ATOM 256 N GLU A 16 39.430 52.985 19.019 1.00 0.00 N ATOM 257 CA GLU A 16 38.018 53.068 18.707 1.00 0.00 C ATOM 258 C GLU A 16 37.620 51.924 17.773 1.00 0.00 C ATOM 259 O GLU A 16 37.988 51.931 16.600 1.00 0.00 O ATOM 260 CB GLU A 16 37.765 54.462 18.141 1.00 0.00 C ATOM 261 CG GLU A 16 36.390 54.746 17.541 1.00 0.00 C ATOM 262 CD GLU A 16 35.245 54.561 18.539 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.746 55.556 19.107 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.795 53.406 18.700 1.00 0.00 O ATOM 0 H GLU A 16 40.009 53.023 18.180 1.00 0.00 H new ATOM 0 HA GLU A 16 37.387 52.943 19.587 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.938 55.184 18.939 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.513 54.652 17.371 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.371 55.768 17.162 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.230 54.086 16.688 1.00 0.00 H new ATOM 271 N VAL A 17 36.928 50.916 18.296 1.00 0.00 N ATOM 272 CA VAL A 17 36.626 49.645 17.669 1.00 0.00 C ATOM 273 C VAL A 17 35.262 49.083 18.074 1.00 0.00 C ATOM 274 O VAL A 17 34.658 49.512 19.055 1.00 0.00 O ATOM 275 CB VAL A 17 37.691 48.592 17.961 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.976 48.803 17.165 1.00 0.00 C ATOM 277 CG2 VAL A 17 38.060 48.500 19.439 1.00 0.00 C ATOM 0 H VAL A 17 36.538 50.976 19.237 1.00 0.00 H new ATOM 0 HA VAL A 17 36.608 49.862 16.601 1.00 0.00 H new ATOM 0 HB VAL A 17 37.222 47.658 17.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.693 48.022 17.418 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.754 48.761 16.099 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.400 49.777 17.409 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.822 47.733 19.577 1.00 0.00 H new ATOM 0 HG22 VAL A 17 38.447 49.461 19.778 1.00 0.00 H new ATOM 0 HG23 VAL A 17 37.175 48.241 20.020 1.00 0.00 H new ATOM 287 N GLU A 18 34.768 48.091 17.341 1.00 0.00 N ATOM 288 CA GLU A 18 33.527 47.394 17.619 1.00 0.00 C ATOM 289 C GLU A 18 33.683 46.232 18.601 1.00 0.00 C ATOM 290 O GLU A 18 34.716 45.566 18.591 1.00 0.00 O ATOM 291 CB GLU A 18 32.916 46.862 16.326 1.00 0.00 C ATOM 292 CG GLU A 18 32.342 47.955 15.431 1.00 0.00 C ATOM 293 CD GLU A 18 31.737 47.358 14.159 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.678 46.701 14.238 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.325 47.545 13.072 1.00 0.00 O ATOM 0 H GLU A 18 35.241 47.741 16.508 1.00 0.00 H new ATOM 0 HA GLU A 18 32.873 48.131 18.085 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.678 46.313 15.773 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.126 46.152 16.572 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.579 48.512 15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.127 48.664 15.167 1.00 0.00 H new ATOM 302 N PRO A 19 32.662 45.881 19.378 1.00 0.00 N ATOM 303 CA PRO A 19 32.642 44.713 20.233 1.00 0.00 C ATOM 304 C PRO A 19 32.900 43.364 19.557 1.00 0.00 C ATOM 305 O PRO A 19 33.240 42.393 20.229 1.00 0.00 O ATOM 306 CB PRO A 19 31.250 44.686 20.856 1.00 0.00 C ATOM 307 CG PRO A 19 30.835 46.154 20.888 1.00 0.00 C ATOM 308 CD PRO A 19 31.476 46.683 19.608 1.00 0.00 C ATOM 0 HA PRO A 19 33.467 44.817 20.938 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.558 44.088 20.263 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.268 44.254 21.856 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.752 46.274 20.883 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.208 46.666 21.775 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.786 46.605 18.768 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.735 47.737 19.711 1.00 0.00 H new ATOM 316 N SER A 20 32.719 43.287 18.242 1.00 0.00 N ATOM 317 CA SER A 20 32.884 42.104 17.422 1.00 0.00 C ATOM 318 C SER A 20 34.181 42.070 16.611 1.00 0.00 C ATOM 319 O SER A 20 34.357 41.177 15.785 1.00 0.00 O ATOM 320 CB SER A 20 31.656 41.955 16.529 1.00 0.00 C ATOM 321 OG SER A 20 31.448 43.115 15.755 1.00 0.00 O ATOM 0 H SER A 20 32.437 44.099 17.694 1.00 0.00 H new ATOM 0 HA SER A 20 32.971 41.251 18.095 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.782 41.094 15.873 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.777 41.762 17.144 1.00 0.00 H new ATOM 0 HG SER A 20 30.656 42.994 15.190 1.00 0.00 H new ATOM 327 N ASP A 21 35.102 43.006 16.822 1.00 0.00 N ATOM 328 CA ASP A 21 36.405 43.011 16.188 1.00 0.00 C ATOM 329 C ASP A 21 37.376 42.084 16.923 1.00 0.00 C ATOM 330 O ASP A 21 37.280 41.940 18.139 1.00 0.00 O ATOM 331 CB ASP A 21 36.925 44.443 16.101 1.00 0.00 C ATOM 332 CG ASP A 21 37.837 44.709 14.901 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.090 43.796 14.086 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.229 45.881 14.713 1.00 0.00 O ATOM 0 H ASP A 21 34.955 43.795 17.452 1.00 0.00 H new ATOM 0 HA ASP A 21 36.315 42.623 15.173 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.075 45.124 16.055 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.470 44.676 17.016 1.00 0.00 H new ATOM 339 N THR A 22 38.294 41.429 16.218 1.00 0.00 N ATOM 340 CA THR A 22 39.195 40.445 16.782 1.00 0.00 C ATOM 341 C THR A 22 40.507 41.032 17.305 1.00 0.00 C ATOM 342 O THR A 22 40.957 42.077 16.841 1.00 0.00 O ATOM 343 CB THR A 22 39.484 39.278 15.843 1.00 0.00 C ATOM 344 OG1 THR A 22 39.661 39.669 14.500 1.00 0.00 O ATOM 345 CG2 THR A 22 38.354 38.252 15.845 1.00 0.00 C ATOM 0 H THR A 22 38.430 41.575 15.218 1.00 0.00 H new ATOM 0 HA THR A 22 38.645 40.059 17.640 1.00 0.00 H new ATOM 0 HB THR A 22 40.410 38.852 16.229 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.844 38.878 13.951 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.600 37.438 15.163 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.225 37.855 16.852 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.429 38.729 15.521 1.00 0.00 H new ATOM 353 N ILE A 23 41.171 40.355 18.238 1.00 0.00 N ATOM 354 CA ILE A 23 42.409 40.828 18.821 1.00 0.00 C ATOM 355 C ILE A 23 43.542 40.896 17.796 1.00 0.00 C ATOM 356 O ILE A 23 44.371 41.801 17.881 1.00 0.00 O ATOM 357 CB ILE A 23 42.738 40.048 20.091 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.058 40.631 21.327 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.229 40.020 20.417 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.534 40.584 21.376 1.00 0.00 C ATOM 0 H ILE A 23 40.858 39.458 18.609 1.00 0.00 H new ATOM 0 HA ILE A 23 42.277 41.863 19.135 1.00 0.00 H new ATOM 0 HB ILE A 23 42.376 39.044 19.871 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.440 40.104 22.202 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.366 41.672 21.422 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.391 39.449 21.331 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.772 39.552 19.596 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.590 41.039 20.557 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.186 41.031 22.307 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.126 41.140 20.532 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.200 39.548 21.324 1.00 0.00 H new ATOM 372 N GLU A 24 43.557 40.054 16.767 1.00 0.00 N ATOM 373 CA GLU A 24 44.449 40.201 15.634 1.00 0.00 C ATOM 374 C GLU A 24 44.276 41.548 14.932 1.00 0.00 C ATOM 375 O GLU A 24 45.251 42.231 14.626 1.00 0.00 O ATOM 376 CB GLU A 24 44.204 39.055 14.657 1.00 0.00 C ATOM 377 CG GLU A 24 45.182 39.048 13.486 1.00 0.00 C ATOM 378 CD GLU A 24 45.050 37.777 12.646 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.820 36.818 12.876 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.195 37.733 11.735 1.00 0.00 O ATOM 0 H GLU A 24 42.941 39.243 16.701 1.00 0.00 H new ATOM 0 HA GLU A 24 45.475 40.168 16.001 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.279 38.108 15.191 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.186 39.124 14.272 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.003 39.920 12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.201 39.131 13.863 1.00 0.00 H new ATOM 387 N ASN A 25 43.032 41.971 14.722 1.00 0.00 N ATOM 388 CA ASN A 25 42.720 43.252 14.122 1.00 0.00 C ATOM 389 C ASN A 25 43.055 44.416 15.058 1.00 0.00 C ATOM 390 O ASN A 25 43.553 45.440 14.596 1.00 0.00 O ATOM 391 CB ASN A 25 41.258 43.271 13.686 1.00 0.00 C ATOM 392 CG ASN A 25 40.883 42.267 12.594 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.701 41.613 11.951 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.586 42.166 12.312 1.00 0.00 N ATOM 0 H ASN A 25 42.208 41.423 14.969 1.00 0.00 H new ATOM 0 HA ASN A 25 43.345 43.385 13.239 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.634 43.081 14.559 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.015 44.273 13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.273 41.547 11.564 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.905 42.708 12.844 1.00 0.00 H new ATOM 401 N VAL A 26 42.865 44.267 16.365 1.00 0.00 N ATOM 402 CA VAL A 26 43.309 45.229 17.354 1.00 0.00 C ATOM 403 C VAL A 26 44.824 45.429 17.275 1.00 0.00 C ATOM 404 O VAL A 26 45.269 46.571 17.178 1.00 0.00 O ATOM 405 CB VAL A 26 42.881 44.837 18.765 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.479 45.720 19.856 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.364 44.904 18.920 1.00 0.00 C ATOM 0 H VAL A 26 42.390 43.459 16.768 1.00 0.00 H new ATOM 0 HA VAL A 26 42.825 46.178 17.125 1.00 0.00 H new ATOM 0 HB VAL A 26 43.253 43.820 18.890 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.130 45.381 20.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.567 45.658 19.819 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.169 46.753 19.699 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.089 44.619 19.936 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.023 45.920 18.723 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.895 44.220 18.212 1.00 0.00 H new ATOM 417 N LYS A 27 45.613 44.360 17.229 1.00 0.00 N ATOM 418 CA LYS A 27 47.052 44.435 17.085 1.00 0.00 C ATOM 419 C LYS A 27 47.468 45.143 15.793 1.00 0.00 C ATOM 420 O LYS A 27 48.369 45.979 15.830 1.00 0.00 O ATOM 421 CB LYS A 27 47.677 43.044 17.156 1.00 0.00 C ATOM 422 CG LYS A 27 47.646 42.417 18.546 1.00 0.00 C ATOM 423 CD LYS A 27 48.179 40.988 18.505 1.00 0.00 C ATOM 424 CE LYS A 27 48.292 40.402 19.909 1.00 0.00 C ATOM 425 NZ LYS A 27 48.818 39.029 19.864 1.00 0.00 N ATOM 0 H LYS A 27 45.259 43.405 17.292 1.00 0.00 H new ATOM 0 HA LYS A 27 47.425 45.032 17.917 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.154 42.387 16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.712 43.105 16.820 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.245 43.014 19.233 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.625 42.419 18.929 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.517 40.367 17.901 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.156 40.975 18.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.947 41.027 20.517 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.313 40.405 20.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.156 38.755 20.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.064 38.378 19.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.606 38.981 19.188 1.00 0.00 H new ATOM 439 N ALA A 28 46.791 44.876 14.680 1.00 0.00 N ATOM 440 CA ALA A 28 47.031 45.532 13.410 1.00 0.00 C ATOM 441 C ALA A 28 46.646 47.012 13.411 1.00 0.00 C ATOM 442 O ALA A 28 47.338 47.834 12.813 1.00 0.00 O ATOM 443 CB ALA A 28 46.287 44.763 12.322 1.00 0.00 C ATOM 0 H ALA A 28 46.045 44.181 14.641 1.00 0.00 H new ATOM 0 HA ALA A 28 48.103 45.519 13.216 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.456 45.242 11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.653 43.737 12.286 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.220 44.760 12.544 1.00 0.00 H new ATOM 449 N LYS A 29 45.587 47.397 14.115 1.00 0.00 N ATOM 450 CA LYS A 29 45.166 48.776 14.270 1.00 0.00 C ATOM 451 C LYS A 29 46.091 49.562 15.202 1.00 0.00 C ATOM 452 O LYS A 29 46.345 50.737 14.949 1.00 0.00 O ATOM 453 CB LYS A 29 43.709 48.803 14.722 1.00 0.00 C ATOM 454 CG LYS A 29 42.767 48.477 13.566 1.00 0.00 C ATOM 455 CD LYS A 29 41.319 48.311 14.020 1.00 0.00 C ATOM 456 CE LYS A 29 40.428 48.139 12.794 1.00 0.00 C ATOM 457 NZ LYS A 29 39.004 48.071 13.155 1.00 0.00 N ATOM 0 H LYS A 29 44.984 46.736 14.605 1.00 0.00 H new ATOM 0 HA LYS A 29 45.239 49.282 13.307 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.562 48.084 15.528 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.468 49.787 15.124 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.822 49.271 12.822 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.099 47.560 13.079 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.227 47.445 14.676 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.003 49.181 14.595 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.589 48.971 12.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.712 47.230 12.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.425 48.108 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.816 47.182 13.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.763 48.875 13.768 1.00 0.00 H new ATOM 471 N ILE A 30 46.667 48.909 16.208 1.00 0.00 N ATOM 472 CA ILE A 30 47.738 49.432 17.034 1.00 0.00 C ATOM 473 C ILE A 30 49.027 49.584 16.224 1.00 0.00 C ATOM 474 O ILE A 30 49.700 50.602 16.363 1.00 0.00 O ATOM 475 CB ILE A 30 47.916 48.579 18.287 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.720 48.767 19.216 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.210 48.904 19.027 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.659 47.775 20.373 1.00 0.00 C ATOM 0 H ILE A 30 46.386 47.966 16.476 1.00 0.00 H new ATOM 0 HA ILE A 30 47.469 50.432 17.373 1.00 0.00 H new ATOM 0 HB ILE A 30 47.977 47.538 17.970 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.746 49.778 19.622 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.804 48.681 18.631 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.292 48.272 19.911 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.060 48.721 18.370 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.203 49.951 19.329 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.779 47.980 20.982 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.599 46.760 19.979 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.555 47.874 20.985 1.00 0.00 H new ATOM 490 N GLN A 31 49.357 48.648 15.340 1.00 0.00 N ATOM 491 CA GLN A 31 50.480 48.757 14.431 1.00 0.00 C ATOM 492 C GLN A 31 50.350 49.976 13.516 1.00 0.00 C ATOM 493 O GLN A 31 51.317 50.714 13.339 1.00 0.00 O ATOM 494 CB GLN A 31 50.593 47.475 13.612 1.00 0.00 C ATOM 495 CG GLN A 31 51.809 47.447 12.691 1.00 0.00 C ATOM 496 CD GLN A 31 51.817 46.230 11.765 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.805 45.576 11.523 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.975 45.854 11.230 1.00 0.00 N ATOM 0 H GLN A 31 48.837 47.776 15.238 1.00 0.00 H new ATOM 0 HA GLN A 31 51.388 48.894 15.018 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.641 46.623 14.290 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.690 47.355 13.013 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.826 48.356 12.090 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.717 47.446 13.294 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.823 46.388 11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.015 45.032 10.627 1.00 0.00 H new ATOM 507 N ASP A 32 49.165 50.230 12.968 1.00 0.00 N ATOM 508 CA ASP A 32 48.911 51.393 12.143 1.00 0.00 C ATOM 509 C ASP A 32 49.091 52.705 12.910 1.00 0.00 C ATOM 510 O ASP A 32 49.664 53.652 12.376 1.00 0.00 O ATOM 511 CB ASP A 32 47.513 51.266 11.543 1.00 0.00 C ATOM 512 CG ASP A 32 47.198 52.295 10.456 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.011 52.666 10.323 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.101 52.695 9.690 1.00 0.00 O ATOM 0 H ASP A 32 48.352 49.626 13.089 1.00 0.00 H new ATOM 0 HA ASP A 32 49.648 51.427 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.400 50.266 11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.778 51.362 12.342 1.00 0.00 H new ATOM 519 N LYS A 33 48.661 52.761 14.167 1.00 0.00 N ATOM 520 CA LYS A 33 48.757 53.933 15.016 1.00 0.00 C ATOM 521 C LYS A 33 50.161 54.194 15.565 1.00 0.00 C ATOM 522 O LYS A 33 50.675 55.300 15.414 1.00 0.00 O ATOM 523 CB LYS A 33 47.678 53.841 16.091 1.00 0.00 C ATOM 524 CG LYS A 33 47.544 55.123 16.909 1.00 0.00 C ATOM 525 CD LYS A 33 46.223 55.223 17.664 1.00 0.00 C ATOM 526 CE LYS A 33 46.222 56.483 18.525 1.00 0.00 C ATOM 527 NZ LYS A 33 44.896 56.817 19.069 1.00 0.00 N ATOM 0 H LYS A 33 48.224 51.966 14.632 1.00 0.00 H new ATOM 0 HA LYS A 33 48.574 54.819 14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.721 53.615 15.620 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.908 53.012 16.760 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.367 55.178 17.622 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.640 55.981 16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.391 55.250 16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.082 54.342 18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.922 56.351 19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.584 57.321 17.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.976 57.642 19.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.246 57.039 18.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.527 56.007 19.606 1.00 0.00 H new ATOM 541 N GLU A 34 50.794 53.199 16.179 1.00 0.00 N ATOM 542 CA GLU A 34 52.030 53.319 16.926 1.00 0.00 C ATOM 543 C GLU A 34 53.261 52.713 16.249 1.00 0.00 C ATOM 544 O GLU A 34 54.374 52.966 16.704 1.00 0.00 O ATOM 545 CB GLU A 34 51.855 52.688 18.303 1.00 0.00 C ATOM 546 CG GLU A 34 50.888 53.413 19.236 1.00 0.00 C ATOM 547 CD GLU A 34 51.431 54.762 19.709 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.412 54.799 20.483 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.904 55.823 19.310 1.00 0.00 O ATOM 0 H GLU A 34 50.437 52.244 16.165 1.00 0.00 H new ATOM 0 HA GLU A 34 52.226 54.389 16.992 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.508 51.663 18.173 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.830 52.636 18.787 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.939 53.567 18.722 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.683 52.784 20.102 1.00 0.00 H new ATOM 556 N GLY A 35 53.124 51.930 15.183 1.00 0.00 N ATOM 557 CA GLY A 35 54.216 51.298 14.470 1.00 0.00 C ATOM 558 C GLY A 35 54.672 49.943 15.015 1.00 0.00 C ATOM 559 O GLY A 35 55.525 49.296 14.411 1.00 0.00 O ATOM 0 H GLY A 35 52.212 51.714 14.781 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.919 51.168 13.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.069 51.976 14.475 1.00 0.00 H new ATOM 563 N ILE A 36 54.092 49.488 16.122 1.00 0.00 N ATOM 564 CA ILE A 36 54.525 48.323 16.867 1.00 0.00 C ATOM 565 C ILE A 36 54.071 47.050 16.149 1.00 0.00 C ATOM 566 O ILE A 36 52.867 46.868 15.985 1.00 0.00 O ATOM 567 CB ILE A 36 53.988 48.395 18.294 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.461 49.649 19.026 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.383 47.155 19.089 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.709 49.941 20.321 1.00 0.00 C ATOM 0 H ILE A 36 53.277 49.942 16.535 1.00 0.00 H new ATOM 0 HA ILE A 36 55.613 48.301 16.923 1.00 0.00 H new ATOM 0 HB ILE A 36 52.902 48.441 18.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.522 49.545 19.251 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.359 50.505 18.359 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.988 47.231 20.102 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.974 46.268 18.606 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.470 47.079 19.128 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.107 50.848 20.777 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.650 50.079 20.103 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.832 49.105 21.009 1.00 0.00 H new ATOM 582 N PRO A 37 54.960 46.154 15.731 1.00 0.00 N ATOM 583 CA PRO A 37 54.580 44.990 14.955 1.00 0.00 C ATOM 584 C PRO A 37 53.775 43.984 15.780 1.00 0.00 C ATOM 585 O PRO A 37 54.155 43.703 16.916 1.00 0.00 O ATOM 586 CB PRO A 37 55.885 44.401 14.428 1.00 0.00 C ATOM 587 CG PRO A 37 56.924 44.842 15.454 1.00 0.00 C ATOM 588 CD PRO A 37 56.396 46.193 15.927 1.00 0.00 C ATOM 0 HA PRO A 37 53.915 45.261 14.135 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.832 43.315 14.354 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.121 44.778 13.433 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.005 44.131 16.276 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.916 44.930 15.010 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.642 46.362 16.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.845 47.008 15.359 1.00 0.00 H new ATOM 596 N PRO A 38 52.693 43.413 15.261 1.00 0.00 N ATOM 597 CA PRO A 38 51.838 42.493 15.982 1.00 0.00 C ATOM 598 C PRO A 38 52.543 41.303 16.638 1.00 0.00 C ATOM 599 O PRO A 38 52.161 40.933 17.745 1.00 0.00 O ATOM 600 CB PRO A 38 50.801 42.015 14.970 1.00 0.00 C ATOM 601 CG PRO A 38 50.625 43.239 14.075 1.00 0.00 C ATOM 602 CD PRO A 38 52.051 43.778 14.013 1.00 0.00 C ATOM 0 HA PRO A 38 51.407 43.022 16.832 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.151 41.149 14.409 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.867 41.727 15.452 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.243 42.975 13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.931 43.963 14.502 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.588 43.354 13.164 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.050 44.860 13.881 1.00 0.00 H new ATOM 610 N ASP A 39 53.599 40.750 16.047 1.00 0.00 N ATOM 611 CA ASP A 39 54.351 39.662 16.641 1.00 0.00 C ATOM 612 C ASP A 39 55.076 40.048 17.932 1.00 0.00 C ATOM 613 O ASP A 39 55.439 39.175 18.718 1.00 0.00 O ATOM 614 CB ASP A 39 55.281 39.005 15.627 1.00 0.00 C ATOM 615 CG ASP A 39 56.570 39.772 15.323 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.576 39.580 16.039 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.596 40.516 14.319 1.00 0.00 O ATOM 0 H ASP A 39 53.954 41.049 15.139 1.00 0.00 H new ATOM 0 HA ASP A 39 53.615 38.917 16.942 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.546 38.013 15.993 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.733 38.865 14.695 1.00 0.00 H new ATOM 622 N GLN A 40 55.248 41.337 18.210 1.00 0.00 N ATOM 623 CA GLN A 40 55.839 41.835 19.436 1.00 0.00 C ATOM 624 C GLN A 40 54.806 42.130 20.525 1.00 0.00 C ATOM 625 O GLN A 40 55.185 42.276 21.685 1.00 0.00 O ATOM 626 CB GLN A 40 56.683 43.058 19.088 1.00 0.00 C ATOM 627 CG GLN A 40 57.774 43.328 20.119 1.00 0.00 C ATOM 628 CD GLN A 40 58.588 44.594 19.849 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.241 45.456 19.045 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.697 44.772 20.562 1.00 0.00 N ATOM 0 H GLN A 40 54.971 42.079 17.568 1.00 0.00 H new ATOM 0 HA GLN A 40 56.471 41.059 19.868 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.140 42.913 18.109 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.036 43.932 19.011 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.316 43.407 21.105 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.450 42.474 20.149 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.992 44.062 21.232 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.252 45.619 20.439 1.00 0.00 H new ATOM 639 N GLN A 41 53.518 42.220 20.206 1.00 0.00 N ATOM 640 CA GLN A 41 52.499 42.696 21.119 1.00 0.00 C ATOM 641 C GLN A 41 51.921 41.590 22.004 1.00 0.00 C ATOM 642 O GLN A 41 51.168 40.751 21.514 1.00 0.00 O ATOM 643 CB GLN A 41 51.375 43.385 20.349 1.00 0.00 C ATOM 644 CG GLN A 41 51.777 44.620 19.549 1.00 0.00 C ATOM 645 CD GLN A 41 50.584 45.257 18.834 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.468 45.301 19.348 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.735 45.764 17.615 1.00 0.00 N ATOM 0 H GLN A 41 53.153 41.959 19.290 1.00 0.00 H new ATOM 0 HA GLN A 41 52.988 43.411 21.781 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.932 42.661 19.665 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.598 43.672 21.057 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.231 45.352 20.217 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.534 44.345 18.815 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.649 45.742 17.163 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.937 46.175 17.131 1.00 0.00 H new ATOM 656 N ARG A 42 52.173 41.623 23.309 1.00 0.00 N ATOM 657 CA ARG A 42 51.361 40.944 24.298 1.00 0.00 C ATOM 658 C ARG A 42 50.268 41.885 24.810 1.00 0.00 C ATOM 659 O ARG A 42 50.590 42.927 25.377 1.00 0.00 O ATOM 660 CB ARG A 42 52.179 40.437 25.483 1.00 0.00 C ATOM 661 CG ARG A 42 53.212 39.360 25.162 1.00 0.00 C ATOM 662 CD ARG A 42 53.805 38.834 26.466 1.00 0.00 C ATOM 663 NE ARG A 42 54.857 37.838 26.256 1.00 0.00 N ATOM 664 CZ ARG A 42 54.806 36.527 26.524 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.665 35.876 26.793 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.950 35.829 26.532 1.00 0.00 N ATOM 0 H ARG A 42 52.961 42.132 23.709 1.00 0.00 H new ATOM 0 HA ARG A 42 50.920 40.078 23.805 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.694 41.285 25.935 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.493 40.044 26.233 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.747 38.547 24.605 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.999 39.770 24.529 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.212 39.669 27.036 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.010 38.394 27.068 1.00 0.00 H new ATOM 0 HE ARG A 42 55.731 38.183 25.859 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.779 36.381 26.800 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.683 34.875 26.991 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.835 36.298 26.337 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.936 34.829 26.734 1.00 0.00 H new ATOM 680 N LEU A 43 49.001 41.517 24.642 1.00 0.00 N ATOM 681 CA LEU A 43 47.850 42.233 25.155 1.00 0.00 C ATOM 682 C LEU A 43 47.204 41.480 26.320 1.00 0.00 C ATOM 683 O LEU A 43 46.988 40.272 26.240 1.00 0.00 O ATOM 684 CB LEU A 43 46.857 42.505 24.029 1.00 0.00 C ATOM 685 CG LEU A 43 47.317 43.522 22.988 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.343 43.539 21.813 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.383 44.940 23.546 1.00 0.00 C ATOM 0 H LEU A 43 48.744 40.677 24.123 1.00 0.00 H new ATOM 0 HA LEU A 43 48.182 43.194 25.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.639 41.564 23.523 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.922 42.855 24.467 1.00 0.00 H new ATOM 0 HG LEU A 43 48.316 43.216 22.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.677 44.267 21.074 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.306 42.550 21.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.349 43.813 22.168 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.716 45.623 22.765 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.395 45.240 23.894 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.086 44.971 24.378 1.00 0.00 H new ATOM 699 N ILE A 44 46.895 42.201 27.394 1.00 0.00 N ATOM 700 CA ILE A 44 46.373 41.670 28.637 1.00 0.00 C ATOM 701 C ILE A 44 45.114 42.438 29.047 1.00 0.00 C ATOM 702 O ILE A 44 45.100 43.666 29.028 1.00 0.00 O ATOM 703 CB ILE A 44 47.438 41.696 29.730 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.749 41.014 29.348 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.927 41.037 31.008 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.801 41.955 28.765 1.00 0.00 C ATOM 0 H ILE A 44 47.009 43.214 27.417 1.00 0.00 H new ATOM 0 HA ILE A 44 46.095 40.626 28.488 1.00 0.00 H new ATOM 0 HB ILE A 44 47.644 42.756 29.882 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.163 40.528 30.232 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.538 40.229 28.622 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.705 41.069 31.770 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.047 41.571 31.366 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.663 40.000 30.802 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.700 41.389 28.521 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.410 42.422 27.861 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.045 42.726 29.496 1.00 0.00 H new ATOM 718 N PHE A 45 44.074 41.724 29.469 1.00 0.00 N ATOM 719 CA PHE A 45 42.893 42.289 30.090 1.00 0.00 C ATOM 720 C PHE A 45 42.480 41.476 31.319 1.00 0.00 C ATOM 721 O PHE A 45 42.516 40.247 31.282 1.00 0.00 O ATOM 722 CB PHE A 45 41.751 42.385 29.084 1.00 0.00 C ATOM 723 CG PHE A 45 40.487 42.978 29.658 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.479 44.300 30.120 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.330 42.198 29.772 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.323 44.842 30.695 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.166 42.741 30.329 1.00 0.00 C ATOM 728 CZ PHE A 45 38.164 44.063 30.792 1.00 0.00 C ATOM 0 H PHE A 45 44.034 40.708 29.383 1.00 0.00 H new ATOM 0 HA PHE A 45 43.133 43.298 30.425 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.074 42.990 28.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.533 41.389 28.699 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.369 44.905 30.032 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.335 41.174 29.429 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.326 45.858 31.062 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.271 42.141 30.402 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.267 44.482 31.224 1.00 0.00 H new ATOM 738 N ALA A 46 42.115 42.145 32.408 1.00 0.00 N ATOM 739 CA ALA A 46 41.790 41.550 33.688 1.00 0.00 C ATOM 740 C ALA A 46 42.797 40.498 34.157 1.00 0.00 C ATOM 741 O ALA A 46 42.429 39.467 34.715 1.00 0.00 O ATOM 742 CB ALA A 46 40.338 41.083 33.664 1.00 0.00 C ATOM 0 H ALA A 46 42.036 43.162 32.417 1.00 0.00 H new ATOM 0 HA ALA A 46 41.881 42.312 34.463 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.084 40.633 34.624 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.685 41.936 33.479 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.206 40.346 32.872 1.00 0.00 H new ATOM 748 N GLY A 47 44.082 40.725 33.900 1.00 0.00 N ATOM 749 CA GLY A 47 45.169 39.820 34.219 1.00 0.00 C ATOM 750 C GLY A 47 45.308 38.570 33.347 1.00 0.00 C ATOM 751 O GLY A 47 46.083 37.685 33.702 1.00 0.00 O ATOM 0 H GLY A 47 44.402 41.580 33.445 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.103 40.379 34.162 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.051 39.500 35.254 1.00 0.00 H new ATOM 755 N LYS A 48 44.592 38.474 32.230 1.00 0.00 N ATOM 756 CA LYS A 48 44.571 37.333 31.336 1.00 0.00 C ATOM 757 C LYS A 48 45.206 37.662 29.984 1.00 0.00 C ATOM 758 O LYS A 48 44.889 38.689 29.388 1.00 0.00 O ATOM 759 CB LYS A 48 43.133 36.864 31.128 1.00 0.00 C ATOM 760 CG LYS A 48 42.431 36.425 32.410 1.00 0.00 C ATOM 761 CD LYS A 48 40.980 36.018 32.178 1.00 0.00 C ATOM 762 CE LYS A 48 40.099 37.214 31.828 1.00 0.00 C ATOM 763 NZ LYS A 48 38.707 36.806 31.584 1.00 0.00 N ATOM 0 H LYS A 48 43.983 39.229 31.914 1.00 0.00 H new ATOM 0 HA LYS A 48 45.157 36.538 31.798 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.561 37.672 30.671 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.131 36.033 30.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.973 35.587 32.847 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.464 37.239 33.134 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.933 35.285 31.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.592 35.532 33.073 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.129 37.940 32.641 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.494 37.711 30.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.136 37.643 31.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.676 36.132 30.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.323 36.354 32.438 1.00 0.00 H new ATOM 777 N GLN A 49 46.062 36.777 29.480 1.00 0.00 N ATOM 778 CA GLN A 49 46.644 36.843 28.155 1.00 0.00 C ATOM 779 C GLN A 49 45.608 36.459 27.097 1.00 0.00 C ATOM 780 O GLN A 49 44.982 35.406 27.192 1.00 0.00 O ATOM 781 CB GLN A 49 47.855 35.919 28.072 1.00 0.00 C ATOM 782 CG GLN A 49 49.019 36.395 28.938 1.00 0.00 C ATOM 783 CD GLN A 49 50.221 35.448 28.928 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.199 34.333 28.410 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.321 35.856 29.555 1.00 0.00 N ATOM 0 H GLN A 49 46.378 35.964 30.010 1.00 0.00 H new ATOM 0 HA GLN A 49 46.967 37.866 27.964 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.563 34.916 28.382 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.184 35.849 27.035 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.339 37.378 28.592 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.671 36.516 29.964 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.349 36.779 29.988 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.137 35.246 29.603 1.00 0.00 H new ATOM 794 N LEU A 50 45.423 37.308 26.090 1.00 0.00 N ATOM 795 CA LEU A 50 44.366 37.176 25.106 1.00 0.00 C ATOM 796 C LEU A 50 44.799 36.383 23.872 1.00 0.00 C ATOM 797 O LEU A 50 45.984 36.271 23.565 1.00 0.00 O ATOM 798 CB LEU A 50 43.829 38.560 24.752 1.00 0.00 C ATOM 799 CG LEU A 50 43.469 39.466 25.927 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.861 40.766 25.409 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.495 38.833 26.916 1.00 0.00 C ATOM 0 H LEU A 50 46.019 38.122 25.937 1.00 0.00 H new ATOM 0 HA LEU A 50 43.559 36.590 25.546 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.574 39.071 24.142 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.941 38.434 24.132 1.00 0.00 H new ATOM 0 HG LEU A 50 44.401 39.648 26.463 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.606 41.409 26.251 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.582 41.275 24.769 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.961 40.544 24.836 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.287 39.536 27.722 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.566 38.584 26.403 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.935 37.926 27.330 1.00 0.00 H new ATOM 813 N GLU A 51 43.837 35.833 23.137 1.00 0.00 N ATOM 814 CA GLU A 51 44.028 35.072 21.918 1.00 0.00 C ATOM 815 C GLU A 51 43.540 35.839 20.687 1.00 0.00 C ATOM 816 O GLU A 51 42.547 36.563 20.746 1.00 0.00 O ATOM 817 CB GLU A 51 43.347 33.711 22.043 1.00 0.00 C ATOM 818 CG GLU A 51 44.099 32.796 23.005 1.00 0.00 C ATOM 819 CD GLU A 51 43.281 31.540 23.313 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.617 31.505 24.372 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.240 30.598 22.493 1.00 0.00 O ATOM 0 H GLU A 51 42.853 35.914 23.394 1.00 0.00 H new ATOM 0 HA GLU A 51 45.097 34.911 21.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.323 33.846 22.393 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.289 33.240 21.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.058 32.513 22.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.314 33.331 23.930 1.00 0.00 H new ATOM 828 N ASP A 52 44.217 35.676 19.555 1.00 0.00 N ATOM 829 CA ASP A 52 44.118 36.550 18.403 1.00 0.00 C ATOM 830 C ASP A 52 42.792 36.442 17.647 1.00 0.00 C ATOM 831 O ASP A 52 42.315 37.445 17.122 1.00 0.00 O ATOM 832 CB ASP A 52 45.306 36.284 17.482 1.00 0.00 C ATOM 833 CG ASP A 52 46.564 37.069 17.856 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.890 37.183 19.058 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.270 37.551 16.944 1.00 0.00 O ATOM 0 H ASP A 52 44.870 34.905 19.415 1.00 0.00 H new ATOM 0 HA ASP A 52 44.142 37.576 18.769 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.535 35.219 17.499 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.024 36.533 16.459 1.00 0.00 H new ATOM 840 N GLY A 53 42.174 35.265 17.623 1.00 0.00 N ATOM 841 CA GLY A 53 40.904 35.012 16.975 1.00 0.00 C ATOM 842 C GLY A 53 39.667 35.361 17.805 1.00 0.00 C ATOM 843 O GLY A 53 38.555 35.278 17.290 1.00 0.00 O ATOM 0 H GLY A 53 42.563 34.436 18.072 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.870 35.580 16.045 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.855 33.957 16.706 1.00 0.00 H new ATOM 847 N ARG A 54 39.829 35.738 19.071 1.00 0.00 N ATOM 848 CA ARG A 54 38.744 36.153 19.937 1.00 0.00 C ATOM 849 C ARG A 54 38.424 37.640 19.770 1.00 0.00 C ATOM 850 O ARG A 54 39.258 38.409 19.297 1.00 0.00 O ATOM 851 CB ARG A 54 39.043 35.802 21.392 1.00 0.00 C ATOM 852 CG ARG A 54 39.320 34.328 21.672 1.00 0.00 C ATOM 853 CD ARG A 54 38.227 33.366 21.211 1.00 0.00 C ATOM 854 NE ARG A 54 36.953 33.526 21.911 1.00 0.00 N ATOM 855 CZ ARG A 54 36.597 32.975 23.079 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.454 32.324 23.878 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.327 33.067 23.495 1.00 0.00 N ATOM 0 H ARG A 54 40.741 35.762 19.527 1.00 0.00 H new ATOM 0 HA ARG A 54 37.853 35.601 19.638 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.906 36.383 21.717 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.198 36.117 22.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.255 34.051 21.186 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.468 34.199 22.744 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.062 33.506 20.143 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.578 32.343 21.348 1.00 0.00 H new ATOM 0 HE ARG A 54 36.259 34.123 21.460 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.433 32.229 23.607 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.128 31.924 24.758 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.637 33.555 22.923 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.050 32.649 24.383 1.00 0.00 H new ATOM 871 N THR A 55 37.217 38.036 20.161 1.00 0.00 N ATOM 872 CA THR A 55 36.689 39.381 20.054 1.00 0.00 C ATOM 873 C THR A 55 36.554 40.076 21.410 1.00 0.00 C ATOM 874 O THR A 55 36.553 39.429 22.455 1.00 0.00 O ATOM 875 CB THR A 55 35.351 39.397 19.321 1.00 0.00 C ATOM 876 OG1 THR A 55 34.423 38.540 19.950 1.00 0.00 O ATOM 877 CG2 THR A 55 35.471 38.938 17.870 1.00 0.00 C ATOM 0 H THR A 55 36.550 37.389 20.582 1.00 0.00 H new ATOM 0 HA THR A 55 37.418 39.944 19.471 1.00 0.00 H new ATOM 0 HB THR A 55 35.015 40.433 19.348 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.572 38.567 19.465 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.490 38.969 17.396 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.153 39.598 17.335 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.856 37.919 17.842 1.00 0.00 H new ATOM 885 N LEU A 56 36.410 41.398 21.404 1.00 0.00 N ATOM 886 CA LEU A 56 36.270 42.195 22.606 1.00 0.00 C ATOM 887 C LEU A 56 35.110 41.724 23.486 1.00 0.00 C ATOM 888 O LEU A 56 35.279 41.520 24.686 1.00 0.00 O ATOM 889 CB LEU A 56 36.096 43.667 22.248 1.00 0.00 C ATOM 890 CG LEU A 56 37.380 44.416 21.901 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.929 44.057 20.523 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.120 45.920 21.912 1.00 0.00 C ATOM 0 H LEU A 56 36.388 41.949 20.546 1.00 0.00 H new ATOM 0 HA LEU A 56 37.186 42.068 23.184 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.414 43.739 21.401 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.617 44.172 23.086 1.00 0.00 H new ATOM 0 HG LEU A 56 38.113 44.124 22.653 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.842 44.623 20.336 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.149 42.990 20.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.189 44.301 19.761 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.040 46.450 21.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.352 46.162 21.177 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.782 46.224 22.903 1.00 0.00 H new ATOM 904 N SER A 57 33.939 41.498 22.898 1.00 0.00 N ATOM 905 CA SER A 57 32.759 41.025 23.592 1.00 0.00 C ATOM 906 C SER A 57 32.924 39.633 24.208 1.00 0.00 C ATOM 907 O SER A 57 32.412 39.406 25.300 1.00 0.00 O ATOM 908 CB SER A 57 31.544 41.055 22.670 1.00 0.00 C ATOM 909 OG SER A 57 31.785 40.336 21.480 1.00 0.00 O ATOM 0 H SER A 57 33.787 41.644 21.900 1.00 0.00 H new ATOM 0 HA SER A 57 32.605 41.712 24.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.683 40.630 23.186 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.293 42.088 22.429 1.00 0.00 H new ATOM 0 HG SER A 57 32.277 40.902 20.850 1.00 0.00 H new ATOM 915 N ASP A 58 33.662 38.718 23.586 1.00 0.00 N ATOM 916 CA ASP A 58 33.951 37.406 24.129 1.00 0.00 C ATOM 917 C ASP A 58 34.787 37.451 25.409 1.00 0.00 C ATOM 918 O ASP A 58 34.678 36.554 26.242 1.00 0.00 O ATOM 919 CB ASP A 58 34.655 36.554 23.077 1.00 0.00 C ATOM 920 CG ASP A 58 33.716 35.728 22.194 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.508 36.033 22.087 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.207 34.753 21.589 1.00 0.00 O ATOM 0 H ASP A 58 34.082 38.877 22.670 1.00 0.00 H new ATOM 0 HA ASP A 58 32.993 36.960 24.398 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.252 37.207 22.440 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.348 35.879 23.579 1.00 0.00 H new ATOM 927 N TYR A 59 35.577 38.504 25.600 1.00 0.00 N ATOM 928 CA TYR A 59 36.303 38.793 26.820 1.00 0.00 C ATOM 929 C TYR A 59 35.590 39.773 27.753 1.00 0.00 C ATOM 930 O TYR A 59 36.185 40.181 28.748 1.00 0.00 O ATOM 931 CB TYR A 59 37.721 39.243 26.478 1.00 0.00 C ATOM 932 CG TYR A 59 38.635 38.163 25.954 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.892 37.030 26.737 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.294 38.327 24.730 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.789 36.051 26.292 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.216 37.370 24.291 1.00 0.00 C ATOM 937 CZ TYR A 59 40.459 36.216 25.063 1.00 0.00 C ATOM 938 OH TYR A 59 41.352 35.277 24.638 1.00 0.00 O ATOM 0 H TYR A 59 35.731 39.205 24.875 1.00 0.00 H new ATOM 0 HA TYR A 59 36.351 37.867 27.394 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.662 40.038 25.734 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.172 39.675 27.371 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.396 36.911 27.689 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.090 39.196 24.122 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.967 35.170 26.890 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.742 37.516 23.359 1.00 0.00 H new ATOM 0 HH TYR A 59 40.873 34.458 24.393 1.00 0.00 H new ATOM 948 N ASN A 60 34.338 40.144 27.503 1.00 0.00 N ATOM 949 CA ASN A 60 33.609 41.140 28.261 1.00 0.00 C ATOM 950 C ASN A 60 34.349 42.474 28.366 1.00 0.00 C ATOM 951 O ASN A 60 34.328 43.148 29.393 1.00 0.00 O ATOM 952 CB ASN A 60 33.136 40.539 29.584 1.00 0.00 C ATOM 953 CG ASN A 60 32.024 41.325 30.282 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.474 42.314 29.802 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.620 40.862 31.461 1.00 0.00 N ATOM 0 H ASN A 60 33.791 39.743 26.741 1.00 0.00 H new ATOM 0 HA ASN A 60 32.708 41.417 27.714 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.785 39.523 29.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.989 40.465 30.259 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.860 41.327 31.958 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.070 40.042 31.868 1.00 0.00 H new ATOM 962 N ILE A 61 35.016 42.871 27.285 1.00 0.00 N ATOM 963 CA ILE A 61 35.572 44.198 27.109 1.00 0.00 C ATOM 964 C ILE A 61 34.437 45.097 26.616 1.00 0.00 C ATOM 965 O ILE A 61 33.760 44.792 25.636 1.00 0.00 O ATOM 966 CB ILE A 61 36.780 44.178 26.178 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.923 43.357 26.773 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.263 45.593 25.873 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.986 42.944 25.758 1.00 0.00 C ATOM 0 H ILE A 61 35.186 42.257 26.489 1.00 0.00 H new ATOM 0 HA ILE A 61 35.958 44.593 28.049 1.00 0.00 H new ATOM 0 HB ILE A 61 36.463 43.709 25.247 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.398 43.935 27.566 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.510 42.461 27.236 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.125 45.548 25.207 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.462 46.155 25.392 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.547 46.088 26.801 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.762 42.365 26.259 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.527 42.337 24.977 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.429 43.835 25.312 1.00 0.00 H new ATOM 981 N GLN A 62 34.216 46.192 27.336 1.00 0.00 N ATOM 982 CA GLN A 62 33.140 47.145 27.151 1.00 0.00 C ATOM 983 C GLN A 62 33.702 48.558 26.983 1.00 0.00 C ATOM 984 O GLN A 62 34.896 48.761 27.190 1.00 0.00 O ATOM 985 CB GLN A 62 32.211 47.064 28.360 1.00 0.00 C ATOM 986 CG GLN A 62 31.628 45.683 28.642 1.00 0.00 C ATOM 987 CD GLN A 62 30.718 45.113 27.553 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.313 45.787 26.607 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.364 43.834 27.632 1.00 0.00 N ATOM 0 H GLN A 62 34.826 46.449 28.112 1.00 0.00 H new ATOM 0 HA GLN A 62 32.580 46.907 26.247 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.759 47.396 29.242 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.389 47.764 28.213 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.451 44.987 28.803 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.064 45.730 29.573 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.691 43.261 28.410 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.765 43.425 26.915 1.00 0.00 H new ATOM 998 N LYS A 63 32.880 49.553 26.660 1.00 0.00 N ATOM 999 CA LYS A 63 33.314 50.929 26.541 1.00 0.00 C ATOM 1000 C LYS A 63 34.063 51.409 27.786 1.00 0.00 C ATOM 1001 O LYS A 63 33.674 51.078 28.904 1.00 0.00 O ATOM 1002 CB LYS A 63 32.150 51.852 26.188 1.00 0.00 C ATOM 1003 CG LYS A 63 31.079 52.021 27.261 1.00 0.00 C ATOM 1004 CD LYS A 63 30.047 53.066 26.850 1.00 0.00 C ATOM 1005 CE LYS A 63 28.932 53.163 27.887 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.980 54.241 27.576 1.00 0.00 N ATOM 0 H LYS A 63 31.886 49.418 26.473 1.00 0.00 H new ATOM 0 HA LYS A 63 34.025 50.969 25.716 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.553 52.836 25.947 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.673 51.473 25.284 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.583 51.066 27.437 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.545 52.317 28.201 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.530 54.036 26.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.625 52.805 25.879 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.400 52.213 27.937 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.367 53.337 28.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.239 54.271 28.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.482 55.152 27.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.545 54.063 26.648 1.00 0.00 H new ATOM 1020 N GLU A 64 35.145 52.159 27.602 1.00 0.00 N ATOM 1021 CA GLU A 64 35.991 52.668 28.664 1.00 0.00 C ATOM 1022 C GLU A 64 36.606 51.587 29.556 1.00 0.00 C ATOM 1023 O GLU A 64 36.918 51.821 30.722 1.00 0.00 O ATOM 1024 CB GLU A 64 35.295 53.798 29.416 1.00 0.00 C ATOM 1025 CG GLU A 64 34.992 54.991 28.515 1.00 0.00 C ATOM 1026 CD GLU A 64 34.057 56.003 29.181 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.001 56.311 28.589 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.372 56.510 30.281 1.00 0.00 O ATOM 0 H GLU A 64 35.464 52.436 26.674 1.00 0.00 H new ATOM 0 HA GLU A 64 36.870 53.104 28.191 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.366 53.426 29.848 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.924 54.122 30.245 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.925 55.485 28.245 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.539 54.637 27.589 1.00 0.00 H new ATOM 1035 N SER A 65 36.831 50.392 29.018 1.00 0.00 N ATOM 1036 CA SER A 65 37.701 49.399 29.616 1.00 0.00 C ATOM 1037 C SER A 65 39.174 49.775 29.445 1.00 0.00 C ATOM 1038 O SER A 65 39.531 50.452 28.484 1.00 0.00 O ATOM 1039 CB SER A 65 37.474 48.017 29.012 1.00 0.00 C ATOM 1040 OG SER A 65 36.144 47.593 29.216 1.00 0.00 O ATOM 0 H SER A 65 36.406 50.087 28.142 1.00 0.00 H new ATOM 0 HA SER A 65 37.455 49.370 30.677 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.693 48.041 27.944 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.162 47.301 29.462 1.00 0.00 H new ATOM 0 HG SER A 65 35.543 48.113 28.642 1.00 0.00 H new ATOM 1046 N THR A 66 40.032 49.300 30.344 1.00 0.00 N ATOM 1047 CA THR A 66 41.469 49.476 30.288 1.00 0.00 C ATOM 1048 C THR A 66 42.190 48.129 30.209 1.00 0.00 C ATOM 1049 O THR A 66 41.979 47.237 31.028 1.00 0.00 O ATOM 1050 CB THR A 66 41.983 50.322 31.449 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.352 51.581 31.437 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.480 50.600 31.359 1.00 0.00 C ATOM 0 H THR A 66 39.729 48.764 31.157 1.00 0.00 H new ATOM 0 HA THR A 66 41.694 50.024 29.373 1.00 0.00 H new ATOM 0 HB THR A 66 41.768 49.753 32.353 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.684 52.120 32.185 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.789 51.206 32.211 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.026 49.657 31.367 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.696 51.137 30.435 1.00 0.00 H new ATOM 1060 N LEU A 67 43.061 48.000 29.212 1.00 0.00 N ATOM 1061 CA LEU A 67 43.927 46.875 28.919 1.00 0.00 C ATOM 1062 C LEU A 67 45.388 47.259 29.164 1.00 0.00 C ATOM 1063 O LEU A 67 45.707 48.439 29.288 1.00 0.00 O ATOM 1064 CB LEU A 67 43.748 46.444 27.467 1.00 0.00 C ATOM 1065 CG LEU A 67 42.383 45.913 27.039 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.367 46.999 26.698 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.566 45.071 25.779 1.00 0.00 C ATOM 0 H LEU A 67 43.185 48.750 28.532 1.00 0.00 H new ATOM 0 HA LEU A 67 43.660 46.047 29.575 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.987 47.298 26.834 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.488 45.672 27.254 1.00 0.00 H new ATOM 0 HG LEU A 67 41.997 45.351 27.889 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.425 46.536 26.404 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.204 47.632 27.571 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.745 47.606 25.875 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.600 44.682 25.458 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.990 45.688 24.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.239 44.240 25.991 1.00 0.00 H new ATOM 1079 N HIS A 68 46.297 46.288 29.153 1.00 0.00 N ATOM 1080 CA HIS A 68 47.729 46.502 29.214 1.00 0.00 C ATOM 1081 C HIS A 68 48.452 45.939 27.989 1.00 0.00 C ATOM 1082 O HIS A 68 48.011 44.950 27.408 1.00 0.00 O ATOM 1083 CB HIS A 68 48.310 45.949 30.513 1.00 0.00 C ATOM 1084 CG HIS A 68 47.575 46.400 31.745 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.793 45.579 32.555 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.502 47.686 32.215 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.251 46.380 33.476 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.652 47.650 33.302 1.00 0.00 N ATOM 0 H HIS A 68 46.043 45.302 29.100 1.00 0.00 H new ATOM 0 HA HIS A 68 47.895 47.579 29.204 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.297 44.860 30.472 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.354 46.253 30.592 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.008 48.553 31.815 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.580 46.051 34.256 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.376 48.449 33.873 1.00 0.00 H new ATOM 1096 N LEU A 69 49.573 46.552 27.621 1.00 0.00 N ATOM 1097 CA LEU A 69 50.442 46.153 26.533 1.00 0.00 C ATOM 1098 C LEU A 69 51.880 45.986 27.027 1.00 0.00 C ATOM 1099 O LEU A 69 52.433 46.887 27.653 1.00 0.00 O ATOM 1100 CB LEU A 69 50.325 47.183 25.413 1.00 0.00 C ATOM 1101 CG LEU A 69 51.315 47.079 24.257 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.189 45.774 23.477 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.071 48.227 23.282 1.00 0.00 C ATOM 0 H LEU A 69 49.912 47.384 28.103 1.00 0.00 H new ATOM 0 HA LEU A 69 50.138 45.183 26.141 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.318 47.119 25.001 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.426 48.174 25.855 1.00 0.00 H new ATOM 0 HG LEU A 69 52.312 47.118 24.696 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.920 45.761 22.669 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.372 44.932 24.145 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.185 45.695 23.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.776 48.157 22.454 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.053 48.168 22.898 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.209 49.178 23.797 1.00 0.00 H new ATOM 1115 N VAL A 70 52.503 44.857 26.699 1.00 0.00 N ATOM 1116 CA VAL A 70 53.907 44.581 26.934 1.00 0.00 C ATOM 1117 C VAL A 70 54.548 44.099 25.631 1.00 0.00 C ATOM 1118 O VAL A 70 53.970 43.281 24.917 1.00 0.00 O ATOM 1119 CB VAL A 70 54.108 43.565 28.055 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.584 43.303 28.338 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.466 44.037 29.356 1.00 0.00 C ATOM 0 H VAL A 70 52.019 44.082 26.245 1.00 0.00 H new ATOM 0 HA VAL A 70 54.393 45.501 27.259 1.00 0.00 H new ATOM 0 HB VAL A 70 53.634 42.647 27.708 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.676 42.574 29.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.063 42.914 27.439 1.00 0.00 H new ATOM 0 HG13 VAL A 70 56.068 44.233 28.634 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.628 43.290 30.133 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.915 44.982 29.661 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.396 44.176 29.204 1.00 0.00 H new ATOM 1131 N LEU A 71 55.732 44.611 25.305 1.00 0.00 N ATOM 1132 CA LEU A 71 56.438 44.278 24.085 1.00 0.00 C ATOM 1133 C LEU A 71 57.470 43.169 24.297 1.00 0.00 C ATOM 1134 O LEU A 71 58.342 43.280 25.156 1.00 0.00 O ATOM 1135 CB LEU A 71 57.056 45.532 23.474 1.00 0.00 C ATOM 1136 CG LEU A 71 56.096 46.692 23.227 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.790 47.765 22.395 1.00 0.00 C ATOM 1138 CD2 LEU A 71 54.817 46.271 22.508 1.00 0.00 C ATOM 0 H LEU A 71 56.230 45.278 25.894 1.00 0.00 H new ATOM 0 HA LEU A 71 55.714 43.878 23.375 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.853 45.879 24.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.520 45.261 22.526 1.00 0.00 H new ATOM 0 HG LEU A 71 55.813 47.073 24.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.102 48.592 22.220 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.667 48.130 22.930 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.098 47.342 21.439 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.178 47.142 22.363 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.069 45.841 21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 71 54.290 45.530 23.108 1.00 0.00 H new ATOM 1150 N ARG A 72 57.419 42.116 23.487 1.00 0.00 N ATOM 1151 CA ARG A 72 58.402 41.052 23.473 1.00 0.00 C ATOM 1152 C ARG A 72 59.810 41.571 23.172 1.00 0.00 C ATOM 1153 O ARG A 72 59.978 42.607 22.533 1.00 0.00 O ATOM 1154 CB ARG A 72 57.993 39.950 22.499 1.00 0.00 C ATOM 1155 CG ARG A 72 56.652 39.313 22.851 1.00 0.00 C ATOM 1156 CD ARG A 72 56.393 38.053 22.031 1.00 0.00 C ATOM 1157 NE ARG A 72 55.091 37.468 22.354 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.897 37.803 21.845 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.746 38.710 20.871 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.792 37.212 22.318 1.00 0.00 N ATOM 0 H ARG A 72 56.671 41.981 22.807 1.00 0.00 H new ATOM 0 HA ARG A 72 58.434 40.625 24.475 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.940 40.364 21.492 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.763 39.179 22.486 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.634 39.066 23.913 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.851 40.031 22.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.433 38.293 20.969 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.180 37.323 22.223 1.00 0.00 H new ATOM 0 HE ARG A 72 55.092 36.719 23.046 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.563 39.181 20.482 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.814 38.929 20.518 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.864 36.514 23.059 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.879 37.460 21.938 1.00 0.00 H new ATOM 1174 N LEU A 73 60.815 40.862 23.678 1.00 0.00 N ATOM 1175 CA LEU A 73 62.204 41.274 23.669 1.00 0.00 C ATOM 1176 C LEU A 73 62.861 41.140 22.294 1.00 0.00 C ATOM 1177 O LEU A 73 62.388 40.399 21.435 1.00 0.00 O ATOM 1178 CB LEU A 73 62.968 40.492 24.733 1.00 0.00 C ATOM 1179 CG LEU A 73 62.459 40.620 26.167 1.00 0.00 C ATOM 1180 CD1 LEU A 73 63.327 39.765 27.085 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.469 42.058 26.678 1.00 0.00 C ATOM 0 H LEU A 73 60.673 39.954 24.120 1.00 0.00 H new ATOM 0 HA LEU A 73 62.238 42.338 23.904 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.953 39.437 24.458 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.010 40.813 24.710 1.00 0.00 H new ATOM 0 HG LEU A 73 61.423 40.280 26.170 1.00 0.00 H new ATOM 0 HD11 LEU A 73 62.968 39.853 28.110 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.274 38.723 26.770 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.360 40.108 27.032 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.096 42.083 27.702 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.487 42.446 26.653 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.830 42.674 26.045 1.00 0.00 H new ATOM 1193 N ARG A 74 63.979 41.836 22.105 1.00 0.00 N ATOM 1194 CA ARG A 74 64.827 41.858 20.931 1.00 0.00 C ATOM 1195 C ARG A 74 64.111 42.152 19.611 1.00 0.00 C ATOM 1196 O ARG A 74 64.579 41.746 18.550 1.00 0.00 O ATOM 1197 CB ARG A 74 65.716 40.618 20.884 1.00 0.00 C ATOM 1198 CG ARG A 74 66.658 40.459 22.074 1.00 0.00 C ATOM 1199 CD ARG A 74 67.495 39.193 21.915 1.00 0.00 C ATOM 1200 NE ARG A 74 68.586 39.121 22.887 1.00 0.00 N ATOM 1201 CZ ARG A 74 68.507 38.721 24.163 1.00 0.00 C ATOM 1202 NH1 ARG A 74 67.366 38.293 24.722 1.00 0.00 N ATOM 1203 NH2 ARG A 74 69.601 38.727 24.938 1.00 0.00 N ATOM 0 H ARG A 74 64.340 42.449 22.836 1.00 0.00 H new ATOM 0 HA ARG A 74 65.473 42.729 21.045 1.00 0.00 H new ATOM 0 HB2 ARG A 74 65.080 39.735 20.822 1.00 0.00 H new ATOM 0 HB3 ARG A 74 66.310 40.649 19.970 1.00 0.00 H new ATOM 0 HG2 ARG A 74 67.311 41.329 22.150 1.00 0.00 H new ATOM 0 HG3 ARG A 74 66.083 40.410 22.999 1.00 0.00 H new ATOM 0 HD2 ARG A 74 66.853 38.319 22.028 1.00 0.00 H new ATOM 0 HD3 ARG A 74 67.907 39.157 20.907 1.00 0.00 H new ATOM 0 HE ARG A 74 69.508 39.407 22.557 1.00 0.00 H new ATOM 0 HH11 ARG A 74 66.508 38.262 24.171 1.00 0.00 H new ATOM 0 HH12 ARG A 74 67.356 37.998 25.698 1.00 0.00 H new ATOM 0 HH21 ARG A 74 70.495 39.036 24.556 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.539 38.422 25.909 1.00 0.00 H new ATOM 1217 N GLY A 75 62.973 42.839 19.650 1.00 0.00 N ATOM 1218 CA GLY A 75 62.125 43.097 18.503 1.00 0.00 C ATOM 1219 C GLY A 75 62.454 44.372 17.724 1.00 0.00 C ATOM 1220 O GLY A 75 61.969 44.537 16.607 1.00 0.00 O ATOM 0 H GLY A 75 62.608 43.243 20.513 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.192 42.247 17.823 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.090 43.154 18.841 1.00 0.00 H new ATOM 1224 N GLY A 76 63.275 45.255 18.285 1.00 0.00 N ATOM 1225 CA GLY A 76 63.670 46.526 17.711 1.00 0.00 C ATOM 1226 C GLY A 76 64.412 47.418 18.707 1.00 0.00 C ATOM 1227 O GLY A 76 63.734 48.169 19.442 1.00 0.00 O ATOM 1228 OXT GLY A 76 65.657 47.325 18.772 1.00 0.00 O ATOM 0 H GLY A 76 63.701 45.090 19.197 1.00 0.00 H new ATOM 0 HA2 GLY A 76 64.307 46.347 16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.784 47.049 17.351 1.00 0.00 H new TER 1232 GLY A 76