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 55 THR OG1 : rot -75:sc= 1.12 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 0.716 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.423 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.26 (180deg=1.19) USER MOD Single : A 2 GLN : amide:sc= 1.01 K(o=1,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.577) USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.019 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 2.14 (180deg=2.08) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 1.2 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 41 GLN : amide:sc= 0.734 K(o=0.73,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.602 K(o=0.6,f=-2.8!) USER MOD Single : A 59 TYR OH : rot 152:sc= 0.129 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00602) USER MOD Single : A 65 SER OG : rot 108:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.995 52.134 19.925 1.00 0.00 N ATOM 2 CA MET A 1 33.425 52.381 21.310 1.00 0.00 C ATOM 3 C MET A 1 34.925 52.677 21.383 1.00 0.00 C ATOM 4 O MET A 1 35.676 52.284 20.491 1.00 0.00 O ATOM 5 CB MET A 1 33.043 51.248 22.256 1.00 0.00 C ATOM 6 CG MET A 1 33.767 49.924 22.024 1.00 0.00 C ATOM 7 SD MET A 1 33.292 48.624 23.191 1.00 0.00 S ATOM 8 CE MET A 1 34.427 47.301 22.708 1.00 0.00 C ATOM 0 H1 MET A 1 31.960 52.037 19.895 1.00 0.00 H new ATOM 0 H2 MET A 1 33.286 52.931 19.324 1.00 0.00 H new ATOM 0 H3 MET A 1 33.435 51.259 19.576 1.00 0.00 H new ATOM 0 HA MET A 1 32.886 53.266 21.647 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.235 51.572 23.279 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.970 51.075 22.172 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.564 49.582 21.009 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.842 50.090 22.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.257 46.428 23.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.254 47.035 21.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.455 47.641 22.829 1.00 0.00 H new ATOM 20 N GLN A 2 35.373 53.308 22.464 1.00 0.00 N ATOM 21 CA GLN A 2 36.778 53.440 22.792 1.00 0.00 C ATOM 22 C GLN A 2 37.223 52.357 23.777 1.00 0.00 C ATOM 23 O GLN A 2 36.506 52.063 24.731 1.00 0.00 O ATOM 24 CB GLN A 2 37.071 54.821 23.371 1.00 0.00 C ATOM 25 CG GLN A 2 36.988 55.906 22.301 1.00 0.00 C ATOM 26 CD GLN A 2 37.287 57.312 22.825 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.195 57.612 24.013 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.614 58.237 21.926 1.00 0.00 N ATOM 0 H GLN A 2 34.754 53.748 23.145 1.00 0.00 H new ATOM 0 HA GLN A 2 37.343 53.317 21.868 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.361 55.040 24.169 1.00 0.00 H new ATOM 0 HB3 GLN A 2 38.065 54.825 23.819 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.690 55.669 21.501 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.990 55.896 21.863 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.690 57.986 20.940 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.789 59.197 22.223 1.00 0.00 H new ATOM 37 N ILE A 3 38.433 51.835 23.595 1.00 0.00 N ATOM 38 CA ILE A 3 39.184 51.141 24.621 1.00 0.00 C ATOM 39 C ILE A 3 40.579 51.755 24.751 1.00 0.00 C ATOM 40 O ILE A 3 41.103 52.321 23.792 1.00 0.00 O ATOM 41 CB ILE A 3 39.233 49.629 24.416 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.966 49.224 23.140 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.830 49.034 24.502 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.137 47.720 22.946 1.00 0.00 C ATOM 0 H ILE A 3 38.926 51.888 22.704 1.00 0.00 H new ATOM 0 HA ILE A 3 38.654 51.278 25.564 1.00 0.00 H new ATOM 0 HB ILE A 3 39.826 49.207 25.228 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.424 49.627 22.284 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.952 49.690 23.141 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.882 47.955 24.354 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.405 49.245 25.483 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.199 49.476 23.731 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.668 47.532 22.013 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.708 47.308 23.778 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.157 47.244 22.908 1.00 0.00 H new ATOM 56 N PHE A 4 41.187 51.640 25.928 1.00 0.00 N ATOM 57 CA PHE A 4 42.487 52.209 26.221 1.00 0.00 C ATOM 58 C PHE A 4 43.556 51.132 26.412 1.00 0.00 C ATOM 59 O PHE A 4 43.253 50.045 26.900 1.00 0.00 O ATOM 60 CB PHE A 4 42.388 53.121 27.440 1.00 0.00 C ATOM 61 CG PHE A 4 41.280 54.144 27.388 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.311 55.160 26.425 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.225 54.091 28.307 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.292 56.120 26.385 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.205 55.048 28.269 1.00 0.00 C ATOM 66 CZ PHE A 4 39.235 56.060 27.302 1.00 0.00 C ATOM 0 H PHE A 4 40.777 51.138 26.716 1.00 0.00 H new ATOM 0 HA PHE A 4 42.800 52.803 25.362 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.248 52.502 28.326 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.337 53.643 27.562 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.121 55.203 25.712 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.198 53.307 29.049 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.321 56.907 25.646 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.397 55.006 28.984 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.444 56.794 27.263 1.00 0.00 H new ATOM 76 N VAL A 5 44.811 51.420 26.077 1.00 0.00 N ATOM 77 CA VAL A 5 45.930 50.520 26.274 1.00 0.00 C ATOM 78 C VAL A 5 47.118 51.247 26.907 1.00 0.00 C ATOM 79 O VAL A 5 47.640 52.198 26.329 1.00 0.00 O ATOM 80 CB VAL A 5 46.340 49.808 24.989 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.332 48.688 25.287 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.166 49.174 24.249 1.00 0.00 C ATOM 0 H VAL A 5 45.078 52.308 25.652 1.00 0.00 H new ATOM 0 HA VAL A 5 45.595 49.748 26.967 1.00 0.00 H new ATOM 0 HB VAL A 5 46.780 50.583 24.362 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.612 48.193 24.357 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.222 49.106 25.758 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.872 47.964 25.960 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.528 48.685 23.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.685 48.438 24.893 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.445 49.946 23.980 1.00 0.00 H new ATOM 92 N LYS A 6 47.550 50.796 28.081 1.00 0.00 N ATOM 93 CA LYS A 6 48.630 51.349 28.871 1.00 0.00 C ATOM 94 C LYS A 6 49.968 50.688 28.539 1.00 0.00 C ATOM 95 O LYS A 6 50.049 49.465 28.456 1.00 0.00 O ATOM 96 CB LYS A 6 48.257 51.181 30.342 1.00 0.00 C ATOM 97 CG LYS A 6 49.272 51.648 31.381 1.00 0.00 C ATOM 98 CD LYS A 6 49.608 53.136 31.322 1.00 0.00 C ATOM 99 CE LYS A 6 50.329 53.636 32.571 1.00 0.00 C ATOM 100 NZ LYS A 6 51.602 52.939 32.812 1.00 0.00 N ATOM 0 H LYS A 6 47.124 49.984 28.528 1.00 0.00 H new ATOM 0 HA LYS A 6 48.762 52.406 28.641 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.325 51.718 30.517 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.055 50.125 30.520 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.888 51.415 32.374 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.191 51.077 31.253 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.231 53.327 30.449 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.688 53.705 31.188 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.518 54.705 32.472 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.679 53.506 33.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 52.213 53.530 33.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 51.417 52.035 33.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 52.077 52.759 31.904 1.00 0.00 H new ATOM 114 N THR A 7 51.020 51.491 28.405 1.00 0.00 N ATOM 115 CA THR A 7 52.397 51.048 28.312 1.00 0.00 C ATOM 116 C THR A 7 53.123 51.127 29.655 1.00 0.00 C ATOM 117 O THR A 7 52.834 51.986 30.486 1.00 0.00 O ATOM 118 CB THR A 7 53.204 51.824 27.275 1.00 0.00 C ATOM 119 OG1 THR A 7 53.443 53.138 27.728 1.00 0.00 O ATOM 120 CG2 THR A 7 52.545 51.901 25.902 1.00 0.00 C ATOM 0 H THR A 7 50.927 52.506 28.357 1.00 0.00 H new ATOM 0 HA THR A 7 52.332 50.007 27.996 1.00 0.00 H new ATOM 0 HB THR A 7 54.134 51.268 27.157 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.963 53.626 27.056 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.182 52.469 25.224 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.403 50.894 25.509 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.578 52.395 25.990 1.00 0.00 H new ATOM 128 N LEU A 8 54.141 50.291 29.840 1.00 0.00 N ATOM 129 CA LEU A 8 54.994 50.284 31.011 1.00 0.00 C ATOM 130 C LEU A 8 55.687 51.627 31.253 1.00 0.00 C ATOM 131 O LEU A 8 55.789 52.064 32.396 1.00 0.00 O ATOM 132 CB LEU A 8 55.990 49.137 30.855 1.00 0.00 C ATOM 133 CG LEU A 8 56.910 48.887 32.047 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.147 48.486 33.306 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.879 47.757 31.711 1.00 0.00 C ATOM 0 H LEU A 8 54.398 49.581 29.155 1.00 0.00 H new ATOM 0 HA LEU A 8 54.384 50.129 31.901 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.433 48.222 30.653 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.608 49.334 29.979 1.00 0.00 H new ATOM 0 HG LEU A 8 57.432 49.824 32.243 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.851 48.321 34.121 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.454 49.282 33.580 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.589 47.569 33.117 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.537 47.577 32.561 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.317 46.850 31.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.476 48.036 30.843 1.00 0.00 H new ATOM 147 N THR A 9 56.072 52.324 30.187 1.00 0.00 N ATOM 148 CA THR A 9 56.681 53.638 30.192 1.00 0.00 C ATOM 149 C THR A 9 55.706 54.817 30.244 1.00 0.00 C ATOM 150 O THR A 9 56.108 55.967 30.083 1.00 0.00 O ATOM 151 CB THR A 9 57.718 53.785 29.081 1.00 0.00 C ATOM 152 OG1 THR A 9 57.295 53.237 27.853 1.00 0.00 O ATOM 153 CG2 THR A 9 58.997 53.040 29.450 1.00 0.00 C ATOM 0 H THR A 9 55.957 51.958 29.242 1.00 0.00 H new ATOM 0 HA THR A 9 57.200 53.694 31.149 1.00 0.00 H new ATOM 0 HB THR A 9 57.873 54.858 28.972 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.997 53.361 27.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.728 53.153 28.649 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.404 53.451 30.374 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.774 51.982 29.591 1.00 0.00 H new ATOM 161 N GLY A 10 54.426 54.579 30.515 1.00 0.00 N ATOM 162 CA GLY A 10 53.506 55.596 30.983 1.00 0.00 C ATOM 163 C GLY A 10 52.636 56.293 29.934 1.00 0.00 C ATOM 164 O GLY A 10 51.992 57.285 30.268 1.00 0.00 O ATOM 0 H GLY A 10 53.998 53.659 30.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.845 55.139 31.720 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.084 56.360 31.503 1.00 0.00 H new ATOM 168 N LYS A 11 52.588 55.800 28.701 1.00 0.00 N ATOM 169 CA LYS A 11 51.704 56.249 27.645 1.00 0.00 C ATOM 170 C LYS A 11 50.377 55.489 27.694 1.00 0.00 C ATOM 171 O LYS A 11 50.362 54.307 28.030 1.00 0.00 O ATOM 172 CB LYS A 11 52.405 56.089 26.300 1.00 0.00 C ATOM 173 CG LYS A 11 51.709 56.765 25.122 1.00 0.00 C ATOM 174 CD LYS A 11 52.513 56.598 23.836 1.00 0.00 C ATOM 175 CE LYS A 11 51.893 57.414 22.706 1.00 0.00 C ATOM 176 NZ LYS A 11 52.597 57.224 21.427 1.00 0.00 N ATOM 0 H LYS A 11 53.197 55.039 28.402 1.00 0.00 H new ATOM 0 HA LYS A 11 51.469 57.304 27.785 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.415 56.491 26.384 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.502 55.025 26.083 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.715 56.338 24.990 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.575 57.826 25.335 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.542 56.917 24.000 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.547 55.545 23.556 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.847 57.131 22.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.909 58.471 22.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.252 57.919 20.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.619 57.355 21.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.418 56.263 21.072 1.00 0.00 H new ATOM 190 N THR A 12 49.277 56.133 27.316 1.00 0.00 N ATOM 191 CA THR A 12 47.980 55.511 27.148 1.00 0.00 C ATOM 192 C THR A 12 47.463 55.759 25.728 1.00 0.00 C ATOM 193 O THR A 12 47.219 56.888 25.313 1.00 0.00 O ATOM 194 CB THR A 12 46.971 55.967 28.199 1.00 0.00 C ATOM 195 OG1 THR A 12 47.434 55.603 29.480 1.00 0.00 O ATOM 196 CG2 THR A 12 45.613 55.289 28.039 1.00 0.00 C ATOM 0 H THR A 12 49.270 57.133 27.113 1.00 0.00 H new ATOM 0 HA THR A 12 48.104 54.438 27.296 1.00 0.00 H new ATOM 0 HB THR A 12 46.864 57.045 28.075 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.789 55.896 30.157 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.933 55.649 28.811 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.203 55.523 27.057 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.732 54.210 28.134 1.00 0.00 H new ATOM 204 N ILE A 13 47.321 54.668 24.980 1.00 0.00 N ATOM 205 CA ILE A 13 46.837 54.599 23.615 1.00 0.00 C ATOM 206 C ILE A 13 45.310 54.524 23.658 1.00 0.00 C ATOM 207 O ILE A 13 44.764 53.787 24.476 1.00 0.00 O ATOM 208 CB ILE A 13 47.438 53.385 22.912 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.959 53.299 23.007 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.026 53.352 21.444 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.501 51.885 22.819 1.00 0.00 C ATOM 0 H ILE A 13 47.560 53.745 25.344 1.00 0.00 H new ATOM 0 HA ILE A 13 47.137 55.482 23.051 1.00 0.00 H new ATOM 0 HB ILE A 13 47.037 52.521 23.442 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.400 53.952 22.254 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.276 53.675 23.980 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.466 52.479 20.962 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.940 53.298 21.372 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.378 54.256 20.947 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.588 51.898 22.899 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.089 51.232 23.588 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.214 51.513 21.835 1.00 0.00 H new ATOM 223 N THR A 14 44.618 55.236 22.773 1.00 0.00 N ATOM 224 CA THR A 14 43.179 55.162 22.619 1.00 0.00 C ATOM 225 C THR A 14 42.857 54.497 21.278 1.00 0.00 C ATOM 226 O THR A 14 43.419 54.895 20.260 1.00 0.00 O ATOM 227 CB THR A 14 42.531 56.541 22.695 1.00 0.00 C ATOM 228 OG1 THR A 14 42.909 57.197 23.884 1.00 0.00 O ATOM 229 CG2 THR A 14 41.006 56.479 22.681 1.00 0.00 C ATOM 0 H THR A 14 45.058 55.894 22.130 1.00 0.00 H new ATOM 0 HA THR A 14 42.772 54.569 23.438 1.00 0.00 H new ATOM 0 HB THR A 14 42.875 57.080 21.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.487 58.081 23.918 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.600 57.489 22.737 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.670 56.004 21.760 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.658 55.900 23.536 1.00 0.00 H new ATOM 237 N LEU A 15 41.988 53.491 21.276 1.00 0.00 N ATOM 238 CA LEU A 15 41.623 52.728 20.100 1.00 0.00 C ATOM 239 C LEU A 15 40.117 52.821 19.846 1.00 0.00 C ATOM 240 O LEU A 15 39.328 52.513 20.737 1.00 0.00 O ATOM 241 CB LEU A 15 42.040 51.271 20.281 1.00 0.00 C ATOM 242 CG LEU A 15 43.513 51.026 20.594 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.724 49.537 20.852 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.443 51.449 19.459 1.00 0.00 C ATOM 0 H LEU A 15 41.507 53.180 22.120 1.00 0.00 H new ATOM 0 HA LEU A 15 42.142 53.143 19.236 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.443 50.841 21.085 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.788 50.727 19.371 1.00 0.00 H new ATOM 0 HG LEU A 15 43.758 51.630 21.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.774 49.352 21.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.111 49.224 21.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.437 48.970 19.966 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.477 51.250 19.742 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.198 50.885 18.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.319 52.514 19.265 1.00 0.00 H new ATOM 256 N GLU A 16 39.727 53.190 18.628 1.00 0.00 N ATOM 257 CA GLU A 16 38.351 53.132 18.180 1.00 0.00 C ATOM 258 C GLU A 16 38.042 51.724 17.666 1.00 0.00 C ATOM 259 O GLU A 16 38.625 51.267 16.684 1.00 0.00 O ATOM 260 CB GLU A 16 38.089 54.199 17.121 1.00 0.00 C ATOM 261 CG GLU A 16 38.365 55.633 17.562 1.00 0.00 C ATOM 262 CD GLU A 16 37.406 56.205 18.608 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.233 55.780 18.683 1.00 0.00 O ATOM 264 OE2 GLU A 16 37.776 57.189 19.285 1.00 0.00 O ATOM 0 H GLU A 16 40.372 53.541 17.920 1.00 0.00 H new ATOM 0 HA GLU A 16 37.683 53.342 19.015 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.703 53.980 16.248 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.048 54.127 16.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 39.378 55.682 17.961 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.338 56.275 16.682 1.00 0.00 H new ATOM 271 N VAL A 17 37.164 51.007 18.361 1.00 0.00 N ATOM 272 CA VAL A 17 36.850 49.606 18.163 1.00 0.00 C ATOM 273 C VAL A 17 35.343 49.357 18.246 1.00 0.00 C ATOM 274 O VAL A 17 34.601 50.159 18.807 1.00 0.00 O ATOM 275 CB VAL A 17 37.564 48.717 19.176 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.084 48.834 19.113 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.138 48.977 20.619 1.00 0.00 C ATOM 0 H VAL A 17 36.623 51.418 19.122 1.00 0.00 H new ATOM 0 HA VAL A 17 37.201 49.348 17.164 1.00 0.00 H new ATOM 0 HB VAL A 17 37.262 47.711 18.885 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.531 48.176 19.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.430 48.545 18.121 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.378 49.864 19.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.685 48.310 21.286 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.356 50.012 20.882 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.068 48.794 20.721 1.00 0.00 H new ATOM 287 N GLU A 18 34.879 48.201 17.779 1.00 0.00 N ATOM 288 CA GLU A 18 33.540 47.700 18.008 1.00 0.00 C ATOM 289 C GLU A 18 33.587 46.318 18.664 1.00 0.00 C ATOM 290 O GLU A 18 34.542 45.587 18.415 1.00 0.00 O ATOM 291 CB GLU A 18 32.760 47.690 16.696 1.00 0.00 C ATOM 292 CG GLU A 18 32.530 49.065 16.075 1.00 0.00 C ATOM 293 CD GLU A 18 31.672 49.997 16.933 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.578 49.584 17.377 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.042 51.170 17.151 1.00 0.00 O ATOM 0 H GLU A 18 35.449 47.572 17.213 1.00 0.00 H new ATOM 0 HA GLU A 18 33.018 48.361 18.700 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.294 47.068 15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.792 47.219 16.869 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.496 49.538 15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.052 48.939 15.104 1.00 0.00 H new ATOM 302 N PRO A 19 32.622 45.904 19.481 1.00 0.00 N ATOM 303 CA PRO A 19 32.665 44.647 20.201 1.00 0.00 C ATOM 304 C PRO A 19 32.841 43.371 19.377 1.00 0.00 C ATOM 305 O PRO A 19 33.213 42.333 19.920 1.00 0.00 O ATOM 306 CB PRO A 19 31.355 44.580 20.982 1.00 0.00 C ATOM 307 CG PRO A 19 31.004 46.044 21.229 1.00 0.00 C ATOM 308 CD PRO A 19 31.525 46.718 19.963 1.00 0.00 C ATOM 0 HA PRO A 19 33.567 44.660 20.813 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.576 44.072 20.414 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.474 44.034 21.918 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.931 46.190 21.356 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.487 46.433 22.126 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.739 46.792 19.212 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.860 47.733 20.175 1.00 0.00 H new ATOM 316 N SER A 20 32.577 43.425 18.074 1.00 0.00 N ATOM 317 CA SER A 20 32.780 42.356 17.117 1.00 0.00 C ATOM 318 C SER A 20 34.184 42.292 16.513 1.00 0.00 C ATOM 319 O SER A 20 34.477 41.354 15.775 1.00 0.00 O ATOM 320 CB SER A 20 31.730 42.459 16.014 1.00 0.00 C ATOM 321 OG SER A 20 31.730 43.754 15.453 1.00 0.00 O ATOM 0 H SER A 20 32.195 44.265 17.640 1.00 0.00 H new ATOM 0 HA SER A 20 32.671 41.426 17.674 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.934 41.720 15.239 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.744 42.232 16.419 1.00 0.00 H new ATOM 0 HG SER A 20 31.053 43.804 14.746 1.00 0.00 H new ATOM 327 N ASP A 21 35.068 43.247 16.790 1.00 0.00 N ATOM 328 CA ASP A 21 36.422 43.258 16.276 1.00 0.00 C ATOM 329 C ASP A 21 37.277 42.149 16.893 1.00 0.00 C ATOM 330 O ASP A 21 37.204 41.878 18.090 1.00 0.00 O ATOM 331 CB ASP A 21 37.071 44.624 16.484 1.00 0.00 C ATOM 332 CG ASP A 21 36.480 45.765 15.654 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.840 45.504 14.612 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.734 46.942 15.993 1.00 0.00 O ATOM 0 H ASP A 21 34.854 44.045 17.388 1.00 0.00 H new ATOM 0 HA ASP A 21 36.363 43.063 15.205 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.994 44.887 17.539 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.133 44.542 16.253 1.00 0.00 H new ATOM 339 N THR A 22 38.116 41.507 16.084 1.00 0.00 N ATOM 340 CA THR A 22 39.056 40.495 16.519 1.00 0.00 C ATOM 341 C THR A 22 40.266 41.107 17.226 1.00 0.00 C ATOM 342 O THR A 22 40.667 42.230 16.930 1.00 0.00 O ATOM 343 CB THR A 22 39.547 39.604 15.380 1.00 0.00 C ATOM 344 OG1 THR A 22 40.215 40.368 14.402 1.00 0.00 O ATOM 345 CG2 THR A 22 38.428 38.836 14.683 1.00 0.00 C ATOM 0 H THR A 22 38.156 41.686 15.081 1.00 0.00 H new ATOM 0 HA THR A 22 38.499 39.875 17.221 1.00 0.00 H new ATOM 0 HB THR A 22 40.219 38.885 15.848 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.523 39.780 13.682 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.849 38.224 13.885 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.923 38.194 15.405 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.712 39.540 14.260 1.00 0.00 H new ATOM 353 N ILE A 23 40.924 40.352 18.102 1.00 0.00 N ATOM 354 CA ILE A 23 42.120 40.812 18.778 1.00 0.00 C ATOM 355 C ILE A 23 43.286 40.962 17.798 1.00 0.00 C ATOM 356 O ILE A 23 44.087 41.882 17.945 1.00 0.00 O ATOM 357 CB ILE A 23 42.399 39.927 19.989 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.367 40.226 21.074 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.794 40.120 20.576 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.083 39.032 21.981 1.00 0.00 C ATOM 0 H ILE A 23 40.639 39.407 18.358 1.00 0.00 H new ATOM 0 HA ILE A 23 41.970 41.817 19.172 1.00 0.00 H new ATOM 0 HB ILE A 23 42.335 38.895 19.644 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.720 41.059 21.682 1.00 0.00 H new ATOM 0 HG13 ILE A 23 40.437 40.546 20.603 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.923 39.459 21.433 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.543 39.883 19.820 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.915 41.155 20.894 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.342 39.312 22.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.701 38.204 21.384 1.00 0.00 H new ATOM 0 HD13 ILE A 23 42.003 38.726 22.479 1.00 0.00 H new ATOM 372 N GLU A 24 43.340 40.165 16.734 1.00 0.00 N ATOM 373 CA GLU A 24 44.230 40.385 15.612 1.00 0.00 C ATOM 374 C GLU A 24 44.027 41.755 14.960 1.00 0.00 C ATOM 375 O GLU A 24 44.997 42.461 14.689 1.00 0.00 O ATOM 376 CB GLU A 24 44.032 39.252 14.609 1.00 0.00 C ATOM 377 CG GLU A 24 45.016 39.301 13.445 1.00 0.00 C ATOM 378 CD GLU A 24 44.763 38.170 12.446 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.789 38.277 11.671 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.538 37.190 12.407 1.00 0.00 O ATOM 0 H GLU A 24 42.754 39.336 16.632 1.00 0.00 H new ATOM 0 HA GLU A 24 45.258 40.384 15.974 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.136 38.297 15.124 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.015 39.295 14.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.932 40.262 12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.035 39.230 13.826 1.00 0.00 H new ATOM 387 N ASN A 25 42.785 42.185 14.762 1.00 0.00 N ATOM 388 CA ASN A 25 42.474 43.510 14.265 1.00 0.00 C ATOM 389 C ASN A 25 42.771 44.605 15.291 1.00 0.00 C ATOM 390 O ASN A 25 43.238 45.678 14.915 1.00 0.00 O ATOM 391 CB ASN A 25 41.019 43.577 13.809 1.00 0.00 C ATOM 392 CG ASN A 25 40.720 42.835 12.505 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.471 42.003 12.000 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.573 43.141 11.904 1.00 0.00 N ATOM 0 H ASN A 25 41.961 41.613 14.946 1.00 0.00 H new ATOM 0 HA ASN A 25 43.125 43.695 13.410 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.387 43.167 14.597 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.739 44.623 13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.319 42.686 11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.947 43.831 12.320 1.00 0.00 H new ATOM 401 N VAL A 26 42.582 44.372 16.587 1.00 0.00 N ATOM 402 CA VAL A 26 42.945 45.327 17.614 1.00 0.00 C ATOM 403 C VAL A 26 44.460 45.525 17.690 1.00 0.00 C ATOM 404 O VAL A 26 44.916 46.663 17.785 1.00 0.00 O ATOM 405 CB VAL A 26 42.330 44.957 18.961 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.762 45.904 20.077 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.807 45.027 18.909 1.00 0.00 C ATOM 0 H VAL A 26 42.171 43.511 16.949 1.00 0.00 H new ATOM 0 HA VAL A 26 42.524 46.293 17.335 1.00 0.00 H new ATOM 0 HB VAL A 26 42.678 43.945 19.167 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.297 45.598 21.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.846 45.872 20.182 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.451 46.920 19.833 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.397 44.758 19.883 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.498 46.040 18.652 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.436 44.333 18.155 1.00 0.00 H new ATOM 417 N LYS A 27 45.259 44.476 17.523 1.00 0.00 N ATOM 418 CA LYS A 27 46.692 44.591 17.342 1.00 0.00 C ATOM 419 C LYS A 27 47.057 45.399 16.095 1.00 0.00 C ATOM 420 O LYS A 27 48.012 46.172 16.148 1.00 0.00 O ATOM 421 CB LYS A 27 47.346 43.216 17.249 1.00 0.00 C ATOM 422 CG LYS A 27 47.434 42.441 18.561 1.00 0.00 C ATOM 423 CD LYS A 27 48.192 41.146 18.282 1.00 0.00 C ATOM 424 CE LYS A 27 48.628 40.417 19.550 1.00 0.00 C ATOM 425 NZ LYS A 27 49.529 39.306 19.203 1.00 0.00 N ATOM 0 H LYS A 27 44.921 43.514 17.510 1.00 0.00 H new ATOM 0 HA LYS A 27 47.067 45.119 18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.789 42.616 16.529 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.353 43.338 16.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.949 43.030 19.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.437 42.226 18.946 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.561 40.484 17.689 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.072 41.371 17.680 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.133 41.110 20.223 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.755 40.037 20.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.955 38.921 20.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.989 38.559 18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.280 39.652 18.572 1.00 0.00 H new ATOM 439 N ALA A 28 46.299 45.270 15.010 1.00 0.00 N ATOM 440 CA ALA A 28 46.481 46.068 13.815 1.00 0.00 C ATOM 441 C ALA A 28 46.130 47.542 14.034 1.00 0.00 C ATOM 442 O ALA A 28 46.839 48.410 13.529 1.00 0.00 O ATOM 443 CB ALA A 28 45.677 45.479 12.660 1.00 0.00 C ATOM 0 H ALA A 28 45.534 44.599 14.941 1.00 0.00 H new ATOM 0 HA ALA A 28 47.541 46.037 13.562 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.822 46.088 11.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.014 44.461 12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.619 45.466 12.922 1.00 0.00 H new ATOM 449 N LYS A 29 45.106 47.851 14.823 1.00 0.00 N ATOM 450 CA LYS A 29 44.748 49.199 15.220 1.00 0.00 C ATOM 451 C LYS A 29 45.821 49.850 16.095 1.00 0.00 C ATOM 452 O LYS A 29 46.021 51.057 15.980 1.00 0.00 O ATOM 453 CB LYS A 29 43.397 49.205 15.927 1.00 0.00 C ATOM 454 CG LYS A 29 42.210 48.968 14.998 1.00 0.00 C ATOM 455 CD LYS A 29 40.923 48.801 15.801 1.00 0.00 C ATOM 456 CE LYS A 29 39.675 48.561 14.956 1.00 0.00 C ATOM 457 NZ LYS A 29 39.148 49.795 14.354 1.00 0.00 N ATOM 0 H LYS A 29 44.485 47.143 15.214 1.00 0.00 H new ATOM 0 HA LYS A 29 44.674 49.796 14.311 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.399 48.437 16.700 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.266 50.163 16.430 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.108 49.806 14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.386 48.078 14.394 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.046 47.965 16.490 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.770 49.694 16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.909 47.848 14.166 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.903 48.107 15.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.302 49.573 13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.897 50.468 15.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.872 50.217 13.738 1.00 0.00 H new ATOM 471 N ILE A 30 46.524 49.078 16.919 1.00 0.00 N ATOM 472 CA ILE A 30 47.702 49.514 17.641 1.00 0.00 C ATOM 473 C ILE A 30 48.861 49.775 16.676 1.00 0.00 C ATOM 474 O ILE A 30 49.446 50.856 16.712 1.00 0.00 O ATOM 475 CB ILE A 30 48.072 48.520 18.739 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.004 48.507 19.829 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.436 48.832 19.347 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.086 47.320 20.784 1.00 0.00 C ATOM 0 H ILE A 30 46.278 48.106 17.104 1.00 0.00 H new ATOM 0 HA ILE A 30 47.477 50.459 18.136 1.00 0.00 H new ATOM 0 HB ILE A 30 48.128 47.533 18.280 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.082 49.428 20.407 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.022 48.510 19.357 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.663 48.103 20.124 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.200 48.785 18.571 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.421 49.832 19.781 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.290 47.393 21.525 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.975 46.393 20.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.052 47.325 21.289 1.00 0.00 H new ATOM 490 N GLN A 31 49.179 48.834 15.792 1.00 0.00 N ATOM 491 CA GLN A 31 50.230 48.976 14.805 1.00 0.00 C ATOM 492 C GLN A 31 50.042 50.215 13.928 1.00 0.00 C ATOM 493 O GLN A 31 51.012 50.915 13.642 1.00 0.00 O ATOM 494 CB GLN A 31 50.300 47.718 13.945 1.00 0.00 C ATOM 495 CG GLN A 31 51.557 47.696 13.080 1.00 0.00 C ATOM 496 CD GLN A 31 51.623 46.516 12.110 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.650 45.826 11.815 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.781 46.272 11.503 1.00 0.00 N ATOM 0 H GLN A 31 48.700 47.935 15.746 1.00 0.00 H new ATOM 0 HA GLN A 31 51.171 49.108 15.339 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.284 46.837 14.587 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.418 47.664 13.307 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.611 48.624 12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.432 47.669 13.729 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.604 46.831 11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.846 45.526 10.810 1.00 0.00 H new ATOM 507 N ASP A 32 48.807 50.530 13.548 1.00 0.00 N ATOM 508 CA ASP A 32 48.469 51.659 12.705 1.00 0.00 C ATOM 509 C ASP A 32 48.972 53.001 13.241 1.00 0.00 C ATOM 510 O ASP A 32 49.501 53.792 12.463 1.00 0.00 O ATOM 511 CB ASP A 32 46.954 51.672 12.520 1.00 0.00 C ATOM 512 CG ASP A 32 46.465 52.629 11.430 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.385 53.221 11.647 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.092 52.731 10.354 1.00 0.00 O ATOM 0 H ASP A 32 47.992 49.985 13.831 1.00 0.00 H new ATOM 0 HA ASP A 32 48.977 51.534 11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.620 50.663 12.279 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.486 51.946 13.465 1.00 0.00 H new ATOM 519 N LYS A 33 48.860 53.239 14.545 1.00 0.00 N ATOM 520 CA LYS A 33 49.271 54.469 15.191 1.00 0.00 C ATOM 521 C LYS A 33 50.557 54.411 16.018 1.00 0.00 C ATOM 522 O LYS A 33 51.151 55.462 16.252 1.00 0.00 O ATOM 523 CB LYS A 33 48.108 55.098 15.953 1.00 0.00 C ATOM 524 CG LYS A 33 47.534 54.239 17.076 1.00 0.00 C ATOM 525 CD LYS A 33 46.499 54.989 17.910 1.00 0.00 C ATOM 526 CE LYS A 33 45.256 55.372 17.112 1.00 0.00 C ATOM 527 NZ LYS A 33 44.315 56.132 17.949 1.00 0.00 N ATOM 0 H LYS A 33 48.468 52.557 15.195 1.00 0.00 H new ATOM 0 HA LYS A 33 49.555 55.126 14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.440 56.047 16.375 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.310 55.326 15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.076 53.347 16.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.344 53.903 17.723 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.204 54.369 18.757 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.954 55.891 18.319 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.543 55.968 16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.770 54.473 16.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.390 56.179 17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.210 55.660 18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.679 57.096 18.093 1.00 0.00 H new ATOM 541 N GLU A 34 51.019 53.240 16.446 1.00 0.00 N ATOM 542 CA GLU A 34 52.224 53.083 17.236 1.00 0.00 C ATOM 543 C GLU A 34 53.378 52.388 16.510 1.00 0.00 C ATOM 544 O GLU A 34 54.503 52.426 17.004 1.00 0.00 O ATOM 545 CB GLU A 34 51.926 52.355 18.542 1.00 0.00 C ATOM 546 CG GLU A 34 50.891 53.009 19.453 1.00 0.00 C ATOM 547 CD GLU A 34 51.206 54.459 19.823 1.00 0.00 C ATOM 548 OE1 GLU A 34 50.271 55.281 19.926 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.389 54.815 20.018 1.00 0.00 O ATOM 0 H GLU A 34 50.551 52.356 16.245 1.00 0.00 H new ATOM 0 HA GLU A 34 52.561 54.100 17.437 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.585 51.347 18.303 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.858 52.253 19.099 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.918 52.975 18.962 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.807 52.423 20.368 1.00 0.00 H new ATOM 556 N GLY A 35 53.158 51.749 15.364 1.00 0.00 N ATOM 557 CA GLY A 35 54.197 51.121 14.573 1.00 0.00 C ATOM 558 C GLY A 35 54.727 49.781 15.090 1.00 0.00 C ATOM 559 O GLY A 35 55.732 49.299 14.575 1.00 0.00 O ATOM 0 H GLY A 35 52.228 51.655 14.955 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.815 50.971 13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.035 51.814 14.497 1.00 0.00 H new ATOM 563 N ILE A 36 54.074 49.167 16.072 1.00 0.00 N ATOM 564 CA ILE A 36 54.502 47.954 16.739 1.00 0.00 C ATOM 565 C ILE A 36 53.899 46.733 16.041 1.00 0.00 C ATOM 566 O ILE A 36 52.679 46.588 16.085 1.00 0.00 O ATOM 567 CB ILE A 36 54.121 47.992 18.217 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.698 49.208 18.936 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.575 46.718 18.923 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.087 49.476 20.308 1.00 0.00 C ATOM 0 H ILE A 36 53.191 49.523 16.437 1.00 0.00 H new ATOM 0 HA ILE A 36 55.588 47.880 16.679 1.00 0.00 H new ATOM 0 HB ILE A 36 53.034 48.066 18.257 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.773 49.071 19.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.554 50.088 18.309 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.294 46.765 19.975 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.098 45.855 18.458 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.658 46.622 18.841 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.554 50.357 20.748 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.016 49.648 20.202 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.254 48.615 20.955 1.00 0.00 H new ATOM 582 N PRO A 37 54.670 45.837 15.431 1.00 0.00 N ATOM 583 CA PRO A 37 54.142 44.677 14.741 1.00 0.00 C ATOM 584 C PRO A 37 53.333 43.735 15.635 1.00 0.00 C ATOM 585 O PRO A 37 53.675 43.562 16.802 1.00 0.00 O ATOM 586 CB PRO A 37 55.338 43.959 14.124 1.00 0.00 C ATOM 587 CG PRO A 37 56.379 45.065 13.976 1.00 0.00 C ATOM 588 CD PRO A 37 56.100 45.919 15.208 1.00 0.00 C ATOM 0 HA PRO A 37 53.428 45.006 13.986 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.697 43.153 14.764 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.086 43.513 13.162 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.396 44.672 13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.251 45.627 13.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.652 45.550 16.072 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.412 46.951 15.047 1.00 0.00 H new ATOM 596 N PRO A 38 52.289 43.083 15.129 1.00 0.00 N ATOM 597 CA PRO A 38 51.355 42.326 15.938 1.00 0.00 C ATOM 598 C PRO A 38 51.967 41.091 16.604 1.00 0.00 C ATOM 599 O PRO A 38 51.547 40.711 17.695 1.00 0.00 O ATOM 600 CB PRO A 38 50.229 41.941 14.982 1.00 0.00 C ATOM 601 CG PRO A 38 50.945 41.836 13.638 1.00 0.00 C ATOM 602 CD PRO A 38 51.916 43.009 13.732 1.00 0.00 C ATOM 0 HA PRO A 38 51.011 42.928 16.779 1.00 0.00 H new ATOM 0 HB2 PRO A 38 49.762 40.998 15.266 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.441 42.693 14.962 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.460 40.883 13.519 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.259 41.935 12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.789 42.849 13.099 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.447 43.935 13.400 1.00 0.00 H new ATOM 610 N ASP A 39 53.002 40.502 16.012 1.00 0.00 N ATOM 611 CA ASP A 39 53.727 39.377 16.568 1.00 0.00 C ATOM 612 C ASP A 39 54.599 39.755 17.768 1.00 0.00 C ATOM 613 O ASP A 39 54.998 38.873 18.525 1.00 0.00 O ATOM 614 CB ASP A 39 54.555 38.726 15.466 1.00 0.00 C ATOM 615 CG ASP A 39 55.703 39.624 15.000 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.430 40.586 14.251 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.859 39.368 15.403 1.00 0.00 O ATOM 0 H ASP A 39 53.365 40.806 15.109 1.00 0.00 H new ATOM 0 HA ASP A 39 52.996 38.666 16.953 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.959 37.781 15.828 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.910 38.494 14.618 1.00 0.00 H new ATOM 622 N GLN A 40 54.890 41.036 17.971 1.00 0.00 N ATOM 623 CA GLN A 40 55.626 41.527 19.120 1.00 0.00 C ATOM 624 C GLN A 40 54.715 41.811 20.316 1.00 0.00 C ATOM 625 O GLN A 40 55.220 41.948 21.428 1.00 0.00 O ATOM 626 CB GLN A 40 56.444 42.757 18.737 1.00 0.00 C ATOM 627 CG GLN A 40 57.456 42.489 17.627 1.00 0.00 C ATOM 628 CD GLN A 40 58.401 43.648 17.308 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.414 44.717 17.916 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.264 43.474 16.312 1.00 0.00 N ATOM 0 H GLN A 40 54.612 41.774 17.324 1.00 0.00 H new ATOM 0 HA GLN A 40 56.310 40.739 19.436 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.767 43.550 18.418 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.971 43.123 19.618 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.054 41.621 17.905 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.913 42.225 16.720 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.273 42.596 15.792 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.917 44.218 16.067 1.00 0.00 H new ATOM 639 N GLN A 41 53.401 41.886 20.121 1.00 0.00 N ATOM 640 CA GLN A 41 52.440 42.325 21.113 1.00 0.00 C ATOM 641 C GLN A 41 51.829 41.159 21.892 1.00 0.00 C ATOM 642 O GLN A 41 51.383 40.185 21.291 1.00 0.00 O ATOM 643 CB GLN A 41 51.318 43.123 20.454 1.00 0.00 C ATOM 644 CG GLN A 41 51.717 44.371 19.672 1.00 0.00 C ATOM 645 CD GLN A 41 50.507 45.036 19.012 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.410 45.076 19.564 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.610 45.570 17.799 1.00 0.00 N ATOM 0 H GLN A 41 52.967 41.632 19.234 1.00 0.00 H new ATOM 0 HA GLN A 41 52.986 42.954 21.816 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.782 42.457 19.777 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.614 43.422 21.231 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.202 45.081 20.342 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.447 44.104 18.908 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.505 45.555 17.310 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.794 45.994 17.358 1.00 0.00 H new ATOM 656 N ARG A 42 51.678 41.309 23.205 1.00 0.00 N ATOM 657 CA ARG A 42 50.748 40.569 24.033 1.00 0.00 C ATOM 658 C ARG A 42 49.845 41.539 24.799 1.00 0.00 C ATOM 659 O ARG A 42 50.329 42.545 25.313 1.00 0.00 O ATOM 660 CB ARG A 42 51.477 39.629 24.989 1.00 0.00 C ATOM 661 CG ARG A 42 52.138 38.424 24.329 1.00 0.00 C ATOM 662 CD ARG A 42 51.168 37.390 23.762 1.00 0.00 C ATOM 663 NE ARG A 42 50.482 36.627 24.804 1.00 0.00 N ATOM 664 CZ ARG A 42 49.400 35.851 24.651 1.00 0.00 C ATOM 665 NH1 ARG A 42 48.677 35.796 23.525 1.00 0.00 N ATOM 666 NH2 ARG A 42 48.979 35.043 25.633 1.00 0.00 N ATOM 0 H ARG A 42 52.228 41.982 23.739 1.00 0.00 H new ATOM 0 HA ARG A 42 50.128 39.951 23.384 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.240 40.197 25.521 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.767 39.272 25.735 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.782 38.777 23.523 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.781 37.935 25.060 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.428 37.895 23.141 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.713 36.703 23.114 1.00 0.00 H new ATOM 0 HE ARG A 42 50.867 36.692 25.746 1.00 0.00 H new ATOM 0 HH11 ARG A 42 48.941 36.366 22.721 1.00 0.00 H new ATOM 0 HH12 ARG A 42 47.863 35.184 23.471 1.00 0.00 H new ATOM 0 HH21 ARG A 42 49.484 35.010 26.518 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.153 34.461 25.495 1.00 0.00 H new ATOM 680 N LEU A 43 48.549 41.248 24.860 1.00 0.00 N ATOM 681 CA LEU A 43 47.542 42.103 25.454 1.00 0.00 C ATOM 682 C LEU A 43 46.875 41.460 26.673 1.00 0.00 C ATOM 683 O LEU A 43 46.540 40.279 26.647 1.00 0.00 O ATOM 684 CB LEU A 43 46.526 42.500 24.388 1.00 0.00 C ATOM 685 CG LEU A 43 47.083 43.387 23.279 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.084 43.488 22.130 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.389 44.801 23.767 1.00 0.00 C ATOM 0 H LEU A 43 48.165 40.381 24.484 1.00 0.00 H new ATOM 0 HA LEU A 43 48.030 43.003 25.829 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.117 41.595 23.940 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.698 43.020 24.870 1.00 0.00 H new ATOM 0 HG LEU A 43 48.011 42.922 22.946 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.495 44.124 21.346 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.891 42.494 21.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.152 43.919 22.495 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.783 45.394 22.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.475 45.262 24.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.128 44.758 24.567 1.00 0.00 H new ATOM 699 N ILE A 44 46.696 42.244 27.733 1.00 0.00 N ATOM 700 CA ILE A 44 46.178 41.833 29.022 1.00 0.00 C ATOM 701 C ILE A 44 44.952 42.661 29.412 1.00 0.00 C ATOM 702 O ILE A 44 44.986 43.887 29.331 1.00 0.00 O ATOM 703 CB ILE A 44 47.272 41.923 30.083 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.399 40.931 29.812 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.731 41.697 31.492 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.690 41.221 30.569 1.00 0.00 C ATOM 0 H ILE A 44 46.923 43.238 27.707 1.00 0.00 H new ATOM 0 HA ILE A 44 45.857 40.794 28.951 1.00 0.00 H new ATOM 0 HB ILE A 44 47.665 42.938 30.023 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.056 39.930 30.074 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.612 40.926 28.743 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.547 41.771 32.211 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.978 42.452 31.718 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.281 40.706 31.554 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.436 40.468 30.317 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.062 42.207 30.290 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.496 41.196 31.641 1.00 0.00 H new ATOM 718 N PHE A 45 43.907 42.010 29.914 1.00 0.00 N ATOM 719 CA PHE A 45 42.745 42.615 30.533 1.00 0.00 C ATOM 720 C PHE A 45 42.409 41.923 31.856 1.00 0.00 C ATOM 721 O PHE A 45 42.094 40.735 31.875 1.00 0.00 O ATOM 722 CB PHE A 45 41.562 42.556 29.570 1.00 0.00 C ATOM 723 CG PHE A 45 40.256 43.081 30.116 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.163 44.392 30.600 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.121 42.261 30.123 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.947 44.877 31.097 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.896 42.753 30.590 1.00 0.00 C ATOM 728 CZ PHE A 45 37.810 44.060 31.083 1.00 0.00 C ATOM 0 H PHE A 45 43.851 40.992 29.896 1.00 0.00 H new ATOM 0 HA PHE A 45 42.966 43.659 30.755 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.816 43.123 28.674 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.417 41.521 29.262 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.033 45.032 30.590 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.191 41.244 29.766 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.886 45.881 31.491 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.018 42.124 30.570 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.868 44.438 31.452 1.00 0.00 H new ATOM 738 N ALA A 46 42.463 42.663 32.960 1.00 0.00 N ATOM 739 CA ALA A 46 42.256 42.165 34.304 1.00 0.00 C ATOM 740 C ALA A 46 43.028 40.877 34.603 1.00 0.00 C ATOM 741 O ALA A 46 42.461 39.828 34.900 1.00 0.00 O ATOM 742 CB ALA A 46 40.758 42.090 34.587 1.00 0.00 C ATOM 0 H ALA A 46 42.660 43.663 32.935 1.00 0.00 H new ATOM 0 HA ALA A 46 42.688 42.872 35.012 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.597 41.716 35.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.320 43.084 34.494 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.286 41.417 33.871 1.00 0.00 H new ATOM 748 N GLY A 47 44.345 40.929 34.435 1.00 0.00 N ATOM 749 CA GLY A 47 45.275 39.834 34.629 1.00 0.00 C ATOM 750 C GLY A 47 45.292 38.757 33.542 1.00 0.00 C ATOM 751 O GLY A 47 46.351 38.180 33.308 1.00 0.00 O ATOM 0 H GLY A 47 44.813 41.787 34.143 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.279 40.249 34.715 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.046 39.355 35.581 1.00 0.00 H new ATOM 755 N LYS A 48 44.180 38.515 32.854 1.00 0.00 N ATOM 756 CA LYS A 48 44.060 37.532 31.796 1.00 0.00 C ATOM 757 C LYS A 48 44.720 38.009 30.501 1.00 0.00 C ATOM 758 O LYS A 48 44.501 39.145 30.086 1.00 0.00 O ATOM 759 CB LYS A 48 42.594 37.184 31.556 1.00 0.00 C ATOM 760 CG LYS A 48 41.955 36.315 32.635 1.00 0.00 C ATOM 761 CD LYS A 48 42.308 34.836 32.495 1.00 0.00 C ATOM 762 CE LYS A 48 41.729 34.028 33.652 1.00 0.00 C ATOM 763 NZ LYS A 48 42.049 32.597 33.539 1.00 0.00 N ATOM 0 H LYS A 48 43.310 39.019 33.028 1.00 0.00 H new ATOM 0 HA LYS A 48 44.586 36.634 32.119 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.025 38.110 31.472 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.510 36.670 30.599 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.275 36.668 33.615 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.872 36.430 32.593 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.922 34.454 31.550 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.391 34.717 32.469 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.119 34.413 34.594 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.647 34.157 33.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.637 32.084 34.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.655 32.222 32.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.081 32.471 33.540 1.00 0.00 H new ATOM 777 N GLN A 49 45.479 37.140 29.840 1.00 0.00 N ATOM 778 CA GLN A 49 45.994 37.373 28.506 1.00 0.00 C ATOM 779 C GLN A 49 44.961 37.053 27.423 1.00 0.00 C ATOM 780 O GLN A 49 44.094 36.202 27.610 1.00 0.00 O ATOM 781 CB GLN A 49 47.303 36.625 28.272 1.00 0.00 C ATOM 782 CG GLN A 49 48.489 37.393 28.848 1.00 0.00 C ATOM 783 CD GLN A 49 49.830 36.685 28.638 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.536 36.902 27.656 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.246 35.822 29.561 1.00 0.00 N ATOM 0 H GLN A 49 45.755 36.239 30.229 1.00 0.00 H new ATOM 0 HA GLN A 49 46.208 38.439 28.432 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.248 35.638 28.731 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.451 36.471 27.203 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.532 38.380 28.388 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.330 37.546 29.916 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.668 35.634 30.380 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.142 35.348 29.449 1.00 0.00 H new ATOM 794 N LEU A 50 45.071 37.742 26.290 1.00 0.00 N ATOM 795 CA LEU A 50 44.107 37.734 25.209 1.00 0.00 C ATOM 796 C LEU A 50 44.672 37.116 23.930 1.00 0.00 C ATOM 797 O LEU A 50 45.727 37.523 23.447 1.00 0.00 O ATOM 798 CB LEU A 50 43.639 39.167 24.967 1.00 0.00 C ATOM 799 CG LEU A 50 43.042 39.894 26.169 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.622 41.297 25.739 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.811 39.195 26.739 1.00 0.00 C ATOM 0 H LEU A 50 45.871 38.345 26.099 1.00 0.00 H new ATOM 0 HA LEU A 50 43.262 37.108 25.497 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.487 39.747 24.602 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.895 39.154 24.170 1.00 0.00 H new ATOM 0 HG LEU A 50 43.810 39.911 26.942 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.194 41.826 26.591 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.493 41.842 25.374 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.879 41.227 24.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.433 39.760 27.591 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.039 39.135 25.972 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.080 38.189 27.062 1.00 0.00 H new ATOM 813 N GLU A 51 43.960 36.151 23.353 1.00 0.00 N ATOM 814 CA GLU A 51 44.352 35.447 22.149 1.00 0.00 C ATOM 815 C GLU A 51 43.728 36.002 20.866 1.00 0.00 C ATOM 816 O GLU A 51 42.528 36.255 20.783 1.00 0.00 O ATOM 817 CB GLU A 51 44.078 33.952 22.280 1.00 0.00 C ATOM 818 CG GLU A 51 44.749 33.268 23.467 1.00 0.00 C ATOM 819 CD GLU A 51 46.245 33.553 23.607 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.992 33.520 22.606 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.710 33.831 24.734 1.00 0.00 O ATOM 0 H GLU A 51 43.067 35.832 23.728 1.00 0.00 H new ATOM 0 HA GLU A 51 45.425 35.611 22.050 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.001 33.802 22.356 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.404 33.458 21.365 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.246 33.582 24.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.605 32.191 23.377 1.00 0.00 H new ATOM 828 N ASP A 52 44.554 36.134 19.832 1.00 0.00 N ATOM 829 CA ASP A 52 44.304 36.827 18.585 1.00 0.00 C ATOM 830 C ASP A 52 43.046 36.397 17.829 1.00 0.00 C ATOM 831 O ASP A 52 42.420 37.224 17.168 1.00 0.00 O ATOM 832 CB ASP A 52 45.509 36.652 17.664 1.00 0.00 C ATOM 833 CG ASP A 52 46.867 36.977 18.292 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.322 36.221 19.176 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.538 37.939 17.860 1.00 0.00 O ATOM 0 H ASP A 52 45.488 35.724 19.853 1.00 0.00 H new ATOM 0 HA ASP A 52 44.138 37.867 18.866 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.528 35.621 17.311 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.371 37.287 16.789 1.00 0.00 H new ATOM 840 N GLY A 53 42.662 35.127 17.924 1.00 0.00 N ATOM 841 CA GLY A 53 41.531 34.532 17.242 1.00 0.00 C ATOM 842 C GLY A 53 40.152 34.910 17.785 1.00 0.00 C ATOM 843 O GLY A 53 39.159 34.696 17.092 1.00 0.00 O ATOM 0 H GLY A 53 43.160 34.457 18.510 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.576 34.814 16.190 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.633 33.448 17.286 1.00 0.00 H new ATOM 847 N ARG A 54 40.073 35.452 18.997 1.00 0.00 N ATOM 848 CA ARG A 54 38.843 35.848 19.652 1.00 0.00 C ATOM 849 C ARG A 54 38.477 37.295 19.321 1.00 0.00 C ATOM 850 O ARG A 54 39.310 38.069 18.855 1.00 0.00 O ATOM 851 CB ARG A 54 38.978 35.653 21.160 1.00 0.00 C ATOM 852 CG ARG A 54 38.869 34.231 21.702 1.00 0.00 C ATOM 853 CD ARG A 54 39.946 33.265 21.214 1.00 0.00 C ATOM 854 NE ARG A 54 40.076 32.098 22.085 1.00 0.00 N ATOM 855 CZ ARG A 54 39.176 31.129 22.306 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.052 30.992 21.589 1.00 0.00 N ATOM 857 NH2 ARG A 54 39.367 30.223 23.274 1.00 0.00 N ATOM 0 H ARG A 54 40.900 35.632 19.567 1.00 0.00 H new ATOM 0 HA ARG A 54 38.035 35.217 19.282 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.944 36.056 21.465 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.212 36.257 21.647 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.905 34.270 22.791 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.893 33.829 21.430 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.706 32.937 20.203 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.902 33.786 21.162 1.00 0.00 H new ATOM 0 HE ARG A 54 40.960 32.010 22.586 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.847 31.644 20.832 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.401 30.236 21.800 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.205 30.265 23.854 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.674 29.491 23.431 1.00 0.00 H new ATOM 871 N THR A 55 37.235 37.678 19.607 1.00 0.00 N ATOM 872 CA THR A 55 36.768 39.047 19.544 1.00 0.00 C ATOM 873 C THR A 55 36.629 39.690 20.926 1.00 0.00 C ATOM 874 O THR A 55 36.576 38.992 21.936 1.00 0.00 O ATOM 875 CB THR A 55 35.468 39.190 18.756 1.00 0.00 C ATOM 876 OG1 THR A 55 34.405 38.530 19.406 1.00 0.00 O ATOM 877 CG2 THR A 55 35.555 38.628 17.340 1.00 0.00 C ATOM 0 H THR A 55 36.511 37.021 19.896 1.00 0.00 H new ATOM 0 HA THR A 55 37.545 39.588 19.004 1.00 0.00 H new ATOM 0 HB THR A 55 35.290 40.264 18.699 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.493 37.563 19.277 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.598 38.762 16.836 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.333 39.154 16.787 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.796 37.566 17.384 1.00 0.00 H new ATOM 885 N LEU A 56 36.544 41.017 20.972 1.00 0.00 N ATOM 886 CA LEU A 56 36.410 41.768 22.205 1.00 0.00 C ATOM 887 C LEU A 56 35.212 41.326 23.046 1.00 0.00 C ATOM 888 O LEU A 56 35.323 41.189 24.263 1.00 0.00 O ATOM 889 CB LEU A 56 36.324 43.256 21.882 1.00 0.00 C ATOM 890 CG LEU A 56 37.607 43.892 21.353 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.322 45.340 20.965 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.724 43.894 22.392 1.00 0.00 C ATOM 0 H LEU A 56 36.567 41.604 20.138 1.00 0.00 H new ATOM 0 HA LEU A 56 37.294 41.569 22.811 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.535 43.404 21.144 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.021 43.788 22.784 1.00 0.00 H new ATOM 0 HG LEU A 56 37.934 43.301 20.497 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.234 45.801 20.586 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.554 45.365 20.192 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.974 45.889 21.840 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.615 44.357 21.967 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.405 44.458 23.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.952 42.869 22.684 1.00 0.00 H new ATOM 904 N SER A 57 34.073 41.046 22.418 1.00 0.00 N ATOM 905 CA SER A 57 32.895 40.529 23.086 1.00 0.00 C ATOM 906 C SER A 57 33.030 39.081 23.559 1.00 0.00 C ATOM 907 O SER A 57 32.477 38.757 24.608 1.00 0.00 O ATOM 908 CB SER A 57 31.657 40.692 22.207 1.00 0.00 C ATOM 909 OG SER A 57 31.822 40.076 20.950 1.00 0.00 O ATOM 0 H SER A 57 33.947 41.176 21.414 1.00 0.00 H new ATOM 0 HA SER A 57 32.783 41.129 23.989 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.793 40.260 22.713 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.448 41.753 22.067 1.00 0.00 H new ATOM 0 HG SER A 57 32.322 40.674 20.356 1.00 0.00 H new ATOM 915 N ASP A 58 33.801 38.228 22.892 1.00 0.00 N ATOM 916 CA ASP A 58 34.084 36.892 23.376 1.00 0.00 C ATOM 917 C ASP A 58 34.836 36.923 24.708 1.00 0.00 C ATOM 918 O ASP A 58 34.536 36.133 25.601 1.00 0.00 O ATOM 919 CB ASP A 58 34.880 36.063 22.372 1.00 0.00 C ATOM 920 CG ASP A 58 34.209 35.824 21.018 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.024 35.431 20.958 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.898 35.981 19.987 1.00 0.00 O ATOM 0 H ASP A 58 34.245 38.449 22.001 1.00 0.00 H new ATOM 0 HA ASP A 58 33.113 36.418 23.520 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.836 36.558 22.199 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.099 35.095 22.823 1.00 0.00 H new ATOM 927 N TYR A 59 35.757 37.866 24.885 1.00 0.00 N ATOM 928 CA TYR A 59 36.467 38.113 26.124 1.00 0.00 C ATOM 929 C TYR A 59 35.747 39.034 27.111 1.00 0.00 C ATOM 930 O TYR A 59 36.309 39.349 28.158 1.00 0.00 O ATOM 931 CB TYR A 59 37.889 38.575 25.817 1.00 0.00 C ATOM 932 CG TYR A 59 38.889 37.456 25.645 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.330 36.735 26.761 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.453 37.203 24.389 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.337 35.770 26.636 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.492 36.275 24.256 1.00 0.00 C ATOM 937 CZ TYR A 59 40.932 35.547 25.379 1.00 0.00 C ATOM 938 OH TYR A 59 41.959 34.663 25.225 1.00 0.00 O ATOM 0 H TYR A 59 36.036 38.501 24.137 1.00 0.00 H new ATOM 0 HA TYR A 59 36.504 37.162 26.656 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.874 39.175 24.907 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.227 39.227 26.622 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.889 36.925 27.728 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.085 37.726 23.519 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.655 35.201 27.497 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.956 36.117 23.294 1.00 0.00 H new ATOM 0 HH TYR A 59 41.947 34.303 24.314 1.00 0.00 H new ATOM 948 N ASN A 60 34.506 39.432 26.844 1.00 0.00 N ATOM 949 CA ASN A 60 33.702 40.276 27.704 1.00 0.00 C ATOM 950 C ASN A 60 34.357 41.622 28.021 1.00 0.00 C ATOM 951 O ASN A 60 34.434 42.041 29.174 1.00 0.00 O ATOM 952 CB ASN A 60 33.231 39.459 28.905 1.00 0.00 C ATOM 953 CG ASN A 60 32.081 40.083 29.698 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.571 41.161 29.403 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.623 39.402 30.744 1.00 0.00 N ATOM 0 H ASN A 60 34.020 39.162 25.989 1.00 0.00 H new ATOM 0 HA ASN A 60 32.805 40.593 27.172 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.920 38.474 28.557 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.076 39.307 29.577 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.852 39.775 31.297 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.043 38.506 30.993 1.00 0.00 H new ATOM 962 N ILE A 61 34.841 42.320 26.998 1.00 0.00 N ATOM 963 CA ILE A 61 35.434 43.639 27.082 1.00 0.00 C ATOM 964 C ILE A 61 34.419 44.692 26.632 1.00 0.00 C ATOM 965 O ILE A 61 33.899 44.619 25.521 1.00 0.00 O ATOM 966 CB ILE A 61 36.724 43.695 26.269 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.768 42.711 26.789 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.309 45.104 26.267 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.850 42.366 25.769 1.00 0.00 C ATOM 0 H ILE A 61 34.827 41.958 26.044 1.00 0.00 H new ATOM 0 HA ILE A 61 35.700 43.856 28.117 1.00 0.00 H new ATOM 0 HB ILE A 61 36.464 43.412 25.249 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.240 43.131 27.677 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.267 41.794 27.098 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.228 45.116 25.681 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.590 45.796 25.829 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.528 45.408 27.290 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.555 41.662 26.211 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.390 41.915 24.889 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.378 43.274 25.478 1.00 0.00 H new ATOM 981 N GLN A 62 34.154 45.679 27.484 1.00 0.00 N ATOM 982 CA GLN A 62 33.291 46.815 27.227 1.00 0.00 C ATOM 983 C GLN A 62 34.062 48.124 27.049 1.00 0.00 C ATOM 984 O GLN A 62 35.231 48.224 27.414 1.00 0.00 O ATOM 985 CB GLN A 62 32.299 46.958 28.378 1.00 0.00 C ATOM 986 CG GLN A 62 31.227 45.873 28.413 1.00 0.00 C ATOM 987 CD GLN A 62 30.188 46.139 29.504 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.482 46.676 30.570 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.923 45.798 29.272 1.00 0.00 N ATOM 0 H GLN A 62 34.560 45.704 28.420 1.00 0.00 H new ATOM 0 HA GLN A 62 32.773 46.624 26.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.847 46.943 29.320 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.814 47.931 28.307 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.731 45.820 27.444 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.695 44.904 28.585 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.668 45.352 28.391 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.208 45.983 29.975 1.00 0.00 H new ATOM 998 N LYS A 63 33.389 49.151 26.535 1.00 0.00 N ATOM 999 CA LYS A 63 33.849 50.518 26.400 1.00 0.00 C ATOM 1000 C LYS A 63 34.559 51.076 27.635 1.00 0.00 C ATOM 1001 O LYS A 63 34.215 50.745 28.769 1.00 0.00 O ATOM 1002 CB LYS A 63 32.661 51.396 26.014 1.00 0.00 C ATOM 1003 CG LYS A 63 31.652 51.608 27.138 1.00 0.00 C ATOM 1004 CD LYS A 63 30.389 52.320 26.662 1.00 0.00 C ATOM 1005 CE LYS A 63 29.371 52.514 27.784 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.817 53.489 28.790 1.00 0.00 N ATOM 0 H LYS A 63 32.441 49.034 26.178 1.00 0.00 H new ATOM 0 HA LYS A 63 34.610 50.523 25.620 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.032 52.367 25.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.151 50.945 25.163 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.382 50.643 27.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.116 52.191 27.934 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.658 53.291 26.247 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.933 51.745 25.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.424 52.845 27.357 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.184 51.556 28.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.076 53.608 29.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.688 53.146 29.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.003 54.403 28.329 1.00 0.00 H new ATOM 1020 N GLU A 64 35.529 51.958 27.418 1.00 0.00 N ATOM 1021 CA GLU A 64 36.321 52.655 28.411 1.00 0.00 C ATOM 1022 C GLU A 64 37.208 51.780 29.300 1.00 0.00 C ATOM 1023 O GLU A 64 37.933 52.299 30.146 1.00 0.00 O ATOM 1024 CB GLU A 64 35.494 53.654 29.214 1.00 0.00 C ATOM 1025 CG GLU A 64 34.684 54.621 28.355 1.00 0.00 C ATOM 1026 CD GLU A 64 33.988 55.694 29.195 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.316 55.353 30.192 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.083 56.889 28.838 1.00 0.00 O ATOM 0 H GLU A 64 35.798 52.220 26.470 1.00 0.00 H new ATOM 0 HA GLU A 64 37.040 53.217 27.815 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.814 53.106 29.866 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.161 54.227 29.858 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.342 55.100 27.630 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.938 54.064 27.789 1.00 0.00 H new ATOM 1035 N SER A 65 37.220 50.468 29.082 1.00 0.00 N ATOM 1036 CA SER A 65 38.174 49.558 29.684 1.00 0.00 C ATOM 1037 C SER A 65 39.609 49.928 29.304 1.00 0.00 C ATOM 1038 O SER A 65 39.885 50.246 28.149 1.00 0.00 O ATOM 1039 CB SER A 65 37.930 48.121 29.233 1.00 0.00 C ATOM 1040 OG SER A 65 36.637 47.693 29.596 1.00 0.00 O ATOM 0 H SER A 65 36.550 50.004 28.468 1.00 0.00 H new ATOM 0 HA SER A 65 38.039 49.639 30.763 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.051 48.049 28.152 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.675 47.463 29.682 1.00 0.00 H new ATOM 0 HG SER A 65 36.075 47.635 28.795 1.00 0.00 H new ATOM 1046 N THR A 66 40.529 49.819 30.258 1.00 0.00 N ATOM 1047 CA THR A 66 41.958 49.909 30.035 1.00 0.00 C ATOM 1048 C THR A 66 42.573 48.509 30.057 1.00 0.00 C ATOM 1049 O THR A 66 42.306 47.698 30.942 1.00 0.00 O ATOM 1050 CB THR A 66 42.647 50.831 31.036 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.991 52.079 31.077 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.098 51.118 30.658 1.00 0.00 C ATOM 0 H THR A 66 40.287 49.661 31.236 1.00 0.00 H new ATOM 0 HA THR A 66 42.116 50.354 29.052 1.00 0.00 H new ATOM 0 HB THR A 66 42.610 50.317 31.996 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.439 52.663 31.724 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.544 51.779 31.402 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.656 50.183 30.622 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.131 51.598 29.680 1.00 0.00 H new ATOM 1060 N LEU A 67 43.417 48.238 29.065 1.00 0.00 N ATOM 1061 CA LEU A 67 44.203 47.033 28.891 1.00 0.00 C ATOM 1062 C LEU A 67 45.691 47.367 29.018 1.00 0.00 C ATOM 1063 O LEU A 67 46.075 48.532 28.946 1.00 0.00 O ATOM 1064 CB LEU A 67 43.879 46.408 27.538 1.00 0.00 C ATOM 1065 CG LEU A 67 42.454 45.877 27.403 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.457 46.911 26.888 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.445 44.729 26.398 1.00 0.00 C ATOM 0 H LEU A 67 43.576 48.906 28.311 1.00 0.00 H new ATOM 0 HA LEU A 67 43.956 46.308 29.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.050 47.152 26.760 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.576 45.590 27.355 1.00 0.00 H new ATOM 0 HG LEU A 67 42.151 45.575 28.406 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.467 46.459 26.819 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.423 47.757 27.575 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.768 47.256 25.902 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.431 44.343 26.295 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.796 45.089 25.431 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.102 43.933 26.749 1.00 0.00 H new ATOM 1079 N HIS A 68 46.545 46.364 29.200 1.00 0.00 N ATOM 1080 CA HIS A 68 47.980 46.530 29.302 1.00 0.00 C ATOM 1081 C HIS A 68 48.702 45.826 28.151 1.00 0.00 C ATOM 1082 O HIS A 68 48.319 44.728 27.756 1.00 0.00 O ATOM 1083 CB HIS A 68 48.465 46.085 30.679 1.00 0.00 C ATOM 1084 CG HIS A 68 48.152 47.099 31.746 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.089 47.918 32.374 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.904 47.443 32.197 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.400 48.747 33.161 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.084 48.490 33.080 1.00 0.00 N ATOM 0 H HIS A 68 46.245 45.393 29.282 1.00 0.00 H new ATOM 0 HA HIS A 68 48.226 47.587 29.205 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.000 45.134 30.936 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.541 45.915 30.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.966 46.986 31.917 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.839 49.517 33.777 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.346 48.982 33.583 1.00 0.00 H new ATOM 1096 N LEU A 69 49.728 46.479 27.613 1.00 0.00 N ATOM 1097 CA LEU A 69 50.551 45.988 26.526 1.00 0.00 C ATOM 1098 C LEU A 69 51.904 45.508 27.056 1.00 0.00 C ATOM 1099 O LEU A 69 52.611 46.243 27.742 1.00 0.00 O ATOM 1100 CB LEU A 69 50.686 47.091 25.480 1.00 0.00 C ATOM 1101 CG LEU A 69 51.642 46.812 24.323 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.243 45.600 23.486 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.688 48.019 23.391 1.00 0.00 C ATOM 0 H LEU A 69 50.016 47.401 27.940 1.00 0.00 H new ATOM 0 HA LEU A 69 50.084 45.125 26.052 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.698 47.293 25.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.013 48.001 25.983 1.00 0.00 H new ATOM 0 HG LEU A 69 52.612 46.609 24.777 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.965 45.460 22.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.226 44.712 24.117 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.253 45.762 23.060 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.371 47.816 22.566 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.690 48.212 22.996 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.035 48.892 23.943 1.00 0.00 H new ATOM 1115 N VAL A 70 52.288 44.294 26.675 1.00 0.00 N ATOM 1116 CA VAL A 70 53.602 43.726 26.904 1.00 0.00 C ATOM 1117 C VAL A 70 54.243 43.404 25.552 1.00 0.00 C ATOM 1118 O VAL A 70 53.602 42.797 24.697 1.00 0.00 O ATOM 1119 CB VAL A 70 53.507 42.486 27.788 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.861 41.807 27.970 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.974 42.825 29.177 1.00 0.00 C ATOM 0 H VAL A 70 51.664 43.658 26.179 1.00 0.00 H new ATOM 0 HA VAL A 70 54.229 44.446 27.431 1.00 0.00 H new ATOM 0 HB VAL A 70 52.821 41.813 27.274 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.745 40.929 28.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.249 41.502 26.998 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.558 42.504 28.436 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.920 41.917 29.778 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.641 43.540 29.658 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.979 43.261 29.088 1.00 0.00 H new ATOM 1131 N LEU A 71 55.500 43.787 25.358 1.00 0.00 N ATOM 1132 CA LEU A 71 56.286 43.400 24.203 1.00 0.00 C ATOM 1133 C LEU A 71 57.115 42.151 24.510 1.00 0.00 C ATOM 1134 O LEU A 71 57.842 42.108 25.499 1.00 0.00 O ATOM 1135 CB LEU A 71 57.135 44.556 23.682 1.00 0.00 C ATOM 1136 CG LEU A 71 56.424 45.406 22.632 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.186 46.121 23.166 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.379 46.465 22.087 1.00 0.00 C ATOM 0 H LEU A 71 56.005 44.385 26.012 1.00 0.00 H new ATOM 0 HA LEU A 71 55.601 43.143 23.395 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.423 45.192 24.519 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.055 44.157 23.254 1.00 0.00 H new ATOM 0 HG LEU A 71 56.104 44.714 21.853 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.731 46.706 22.367 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.469 45.385 23.530 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.472 46.783 23.983 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.865 47.068 21.338 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.714 47.107 22.902 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.241 45.978 21.631 1.00 0.00 H new ATOM 1150 N ARG A 72 57.027 41.143 23.647 1.00 0.00 N ATOM 1151 CA ARG A 72 57.750 39.892 23.760 1.00 0.00 C ATOM 1152 C ARG A 72 58.745 39.717 22.612 1.00 0.00 C ATOM 1153 O ARG A 72 58.370 39.403 21.485 1.00 0.00 O ATOM 1154 CB ARG A 72 56.781 38.718 23.871 1.00 0.00 C ATOM 1155 CG ARG A 72 55.927 38.733 25.135 1.00 0.00 C ATOM 1156 CD ARG A 72 56.741 38.660 26.424 1.00 0.00 C ATOM 1157 NE ARG A 72 55.877 38.454 27.586 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.151 38.705 28.873 1.00 0.00 C ATOM 1159 NH1 ARG A 72 57.325 39.182 29.305 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.198 38.498 29.793 1.00 0.00 N ATOM 0 H ARG A 72 56.428 41.182 22.823 1.00 0.00 H new ATOM 0 HA ARG A 72 58.337 39.917 24.678 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.124 38.720 23.001 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.349 37.788 23.840 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.326 39.642 25.146 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.234 37.892 25.105 1.00 0.00 H new ATOM 0 HD2 ARG A 72 57.463 37.846 26.356 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.310 39.581 26.550 1.00 0.00 H new ATOM 0 HE ARG A 72 54.951 38.072 27.392 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.073 39.375 28.639 1.00 0.00 H new ATOM 0 HH12 ARG A 72 57.471 39.352 30.300 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.281 38.154 29.509 1.00 0.00 H new ATOM 0 HH22 ARG A 72 55.390 38.684 30.777 1.00 0.00 H new ATOM 1174 N LEU A 73 60.017 39.948 22.925 1.00 0.00 N ATOM 1175 CA LEU A 73 61.142 39.927 22.011 1.00 0.00 C ATOM 1176 C LEU A 73 62.160 38.861 22.420 1.00 0.00 C ATOM 1177 O LEU A 73 62.314 38.567 23.604 1.00 0.00 O ATOM 1178 CB LEU A 73 61.769 41.317 21.962 1.00 0.00 C ATOM 1179 CG LEU A 73 60.816 42.456 21.607 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.559 43.786 21.689 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.217 42.327 20.210 1.00 0.00 C ATOM 0 H LEU A 73 60.300 40.167 23.880 1.00 0.00 H new ATOM 0 HA LEU A 73 60.795 39.663 21.012 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.215 41.530 22.933 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.580 41.305 21.234 1.00 0.00 H new ATOM 0 HG LEU A 73 59.997 42.409 22.325 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.879 44.599 21.436 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.936 43.930 22.702 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.394 43.780 20.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.550 43.168 20.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.017 42.326 19.470 1.00 0.00 H new ATOM 0 HD23 LEU A 73 59.656 41.395 20.139 1.00 0.00 H new ATOM 1193 N ARG A 74 62.863 38.287 21.447 1.00 0.00 N ATOM 1194 CA ARG A 74 63.897 37.299 21.680 1.00 0.00 C ATOM 1195 C ARG A 74 65.166 37.905 22.283 1.00 0.00 C ATOM 1196 O ARG A 74 65.360 39.119 22.253 1.00 0.00 O ATOM 1197 CB ARG A 74 64.216 36.527 20.402 1.00 0.00 C ATOM 1198 CG ARG A 74 63.062 35.679 19.873 1.00 0.00 C ATOM 1199 CD ARG A 74 63.638 34.619 18.938 1.00 0.00 C ATOM 1200 NE ARG A 74 62.616 33.875 18.203 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.848 32.801 17.435 1.00 0.00 C ATOM 1202 NH1 ARG A 74 64.054 32.231 17.317 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.847 32.257 16.729 1.00 0.00 N ATOM 0 H ARG A 74 62.723 38.503 20.460 1.00 0.00 H new ATOM 0 HA ARG A 74 63.501 36.600 22.417 1.00 0.00 H new ATOM 0 HB2 ARG A 74 64.515 37.235 19.629 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.072 35.878 20.588 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.527 35.208 20.698 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.343 36.304 19.342 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.309 35.099 18.226 1.00 0.00 H new ATOM 0 HD3 ARG A 74 64.238 33.919 19.520 1.00 0.00 H new ATOM 0 HE ARG A 74 61.652 34.198 18.281 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.851 32.614 17.826 1.00 0.00 H new ATOM 0 HH12 ARG A 74 64.176 31.414 16.718 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.911 32.660 16.777 1.00 0.00 H new ATOM 0 HH22 ARG A 74 62.021 31.440 16.144 1.00 0.00 H new ATOM 1217 N GLY A 75 66.044 37.054 22.806 1.00 0.00 N ATOM 1218 CA GLY A 75 67.352 37.426 23.303 1.00 0.00 C ATOM 1219 C GLY A 75 68.363 37.776 22.209 1.00 0.00 C ATOM 1220 O GLY A 75 68.143 37.504 21.030 1.00 0.00 O ATOM 0 H GLY A 75 65.852 36.056 22.895 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.245 38.281 23.970 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.749 36.604 23.899 1.00 0.00 H new ATOM 1224 N GLY A 76 69.478 38.376 22.616 1.00 0.00 N ATOM 1225 CA GLY A 76 70.576 38.792 21.767 1.00 0.00 C ATOM 1226 C GLY A 76 71.803 39.260 22.552 1.00 0.00 C ATOM 1227 O GLY A 76 71.660 40.111 23.457 1.00 0.00 O ATOM 1228 OXT GLY A 76 72.923 38.820 22.214 1.00 0.00 O ATOM 0 H GLY A 76 69.643 38.594 23.599 1.00 0.00 H new ATOM 0 HA2 GLY A 76 70.861 37.962 21.121 1.00 0.00 H new ATOM 0 HA3 GLY A 76 70.239 39.600 21.118 1.00 0.00 H new TER 1232 GLY A 76