USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 434 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 10 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0) USER MOD Set 1.2: A 13 THR OG1 : rot 80:sc= 1.01 USER MOD Single : A 1 ARG N :NH3+ -154:sc= 0.415! (180deg=-3.25!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0325 USER MOD Single : A 5 ASN : amide:sc= -0.254 K(o=-0.25,f=-2) USER MOD Single : A 6 HIS : no HE2:sc= -0.115 K(o=-0.12,f=-3!) USER MOD Single : A 9 THR OG1 : rot 15:sc= 0.378 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.792! C(o=-0.79!,f=-5.7!) USER MOD Single : A 21 SER OG : rot 34:sc= 0.872 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= -1.8! (180deg=-8.02!) USER MOD Single : A 25 ASN : amide:sc= -3.32! C(o=-3.3!,f=-3.9!) USER MOD Single : A 28 THR OG1 : rot -100:sc= 1.27 USER MOD Single : A 31 ASN : amide:sc= -0.0226 X(o=-0.023,f=-0.34) USER MOD Single : A 41 THR OG1 : rot 171:sc= 0.788 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -20:sc= 1.2 USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= -0.348! (180deg=-1.19!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.499 24.658 68.005 1.00 0.00 N ATOM 2 CA ARG A 1 39.181 24.858 67.236 1.00 0.00 C ATOM 3 C ARG A 1 39.527 24.866 65.723 1.00 0.00 C ATOM 4 O ARG A 1 40.699 24.786 65.378 1.00 0.00 O ATOM 5 CB ARG A 1 38.569 26.230 67.555 1.00 0.00 C ATOM 6 CG ARG A 1 38.021 26.457 68.972 1.00 0.00 C ATOM 7 CD ARG A 1 36.950 25.467 69.445 1.00 0.00 C ATOM 8 NE ARG A 1 36.433 25.675 70.827 1.00 0.00 N ATOM 9 CZ ARG A 1 37.110 25.689 71.966 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.355 25.315 72.050 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.491 26.080 73.052 1.00 0.00 N ATOM 0 H1 ARG A 1 40.300 24.218 68.926 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.131 24.041 67.456 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.958 25.580 68.154 1.00 0.00 H new ATOM 0 HA ARG A 1 38.482 24.068 67.511 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.328 26.988 67.364 1.00 0.00 H new ATOM 0 HB3 ARG A 1 37.757 26.407 66.849 1.00 0.00 H new ATOM 0 HG2 ARG A 1 38.855 26.421 69.673 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.605 27.463 69.022 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.109 25.514 68.753 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.361 24.459 69.380 1.00 0.00 H new ATOM 0 HE ARG A 1 35.427 25.826 70.907 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.849 24.995 71.217 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.836 25.343 72.949 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.512 26.364 73.007 1.00 0.00 H new ATOM 0 HH22 ARG A 1 36.988 26.101 73.943 1.00 0.00 H new ATOM 27 N ILE A 2 38.483 24.974 64.822 1.00 0.00 N ATOM 28 CA ILE A 2 38.728 25.115 63.369 1.00 0.00 C ATOM 29 C ILE A 2 37.984 26.412 62.889 1.00 0.00 C ATOM 30 O ILE A 2 36.788 26.603 63.114 1.00 0.00 O ATOM 31 CB ILE A 2 38.263 23.955 62.453 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.923 22.594 62.800 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.483 24.290 60.947 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.967 21.401 62.636 1.00 0.00 C ATOM 0 H ILE A 2 37.498 24.965 65.086 1.00 0.00 H new ATOM 0 HA ILE A 2 39.813 25.136 63.271 1.00 0.00 H new ATOM 0 HB ILE A 2 37.194 23.848 62.640 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.793 22.445 62.160 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.284 22.624 63.828 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.145 23.454 60.335 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.915 25.183 60.686 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.543 24.468 60.765 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.488 20.479 62.894 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.109 21.529 63.296 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.625 21.348 61.602 1.00 0.00 H new ATOM 46 N CYS A 3 38.751 27.320 62.176 1.00 0.00 N ATOM 47 CA CYS A 3 38.145 28.452 61.469 1.00 0.00 C ATOM 48 C CYS A 3 38.728 28.554 60.017 1.00 0.00 C ATOM 49 O CYS A 3 39.568 27.760 59.608 1.00 0.00 O ATOM 50 CB CYS A 3 38.300 29.815 62.170 1.00 0.00 C ATOM 51 SG CYS A 3 37.601 30.034 63.844 1.00 0.00 S ATOM 0 H CYS A 3 39.766 27.267 62.094 1.00 0.00 H new ATOM 0 HA CYS A 3 37.076 28.238 61.455 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.366 30.037 62.227 1.00 0.00 H new ATOM 0 HB3 CYS A 3 37.851 30.570 61.525 1.00 0.00 H new ATOM 56 N TYR A 4 38.228 29.566 59.226 1.00 0.00 N ATOM 57 CA TYR A 4 38.596 29.714 57.814 1.00 0.00 C ATOM 58 C TYR A 4 39.756 30.744 57.608 1.00 0.00 C ATOM 59 O TYR A 4 40.030 31.562 58.480 1.00 0.00 O ATOM 60 CB TYR A 4 37.365 30.214 57.028 1.00 0.00 C ATOM 61 CG TYR A 4 36.131 29.355 57.240 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.399 29.449 58.422 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.680 28.445 56.291 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.312 28.641 58.684 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.581 27.628 56.525 1.00 0.00 C ATOM 66 CZ TYR A 4 33.878 27.705 57.729 1.00 0.00 C ATOM 67 OH TYR A 4 32.793 26.932 58.008 1.00 0.00 O ATOM 0 H TYR A 4 37.575 30.274 59.562 1.00 0.00 H new ATOM 0 HA TYR A 4 38.935 28.741 57.458 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.143 31.238 57.327 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.605 30.237 55.965 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.693 30.181 59.160 1.00 0.00 H new ATOM 0 HD2 TYR A 4 36.198 28.371 55.346 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.792 28.728 59.627 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.267 26.925 55.767 1.00 0.00 H new ATOM 0 HH TYR A 4 32.614 26.335 57.252 1.00 0.00 H new ATOM 77 N ASN A 5 40.401 30.723 56.380 1.00 0.00 N ATOM 78 CA ASN A 5 41.443 31.715 56.062 1.00 0.00 C ATOM 79 C ASN A 5 41.427 32.117 54.550 1.00 0.00 C ATOM 80 O ASN A 5 42.371 32.755 54.084 1.00 0.00 O ATOM 81 CB ASN A 5 42.867 31.277 56.490 1.00 0.00 C ATOM 82 CG ASN A 5 43.481 30.215 55.583 1.00 0.00 C ATOM 83 OD1 ASN A 5 42.893 29.636 54.690 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.786 29.973 55.839 1.00 0.00 N ATOM 0 H ASN A 5 40.210 30.049 55.639 1.00 0.00 H new ATOM 0 HA ASN A 5 41.190 32.592 56.658 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.518 32.151 56.503 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.828 30.893 57.509 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.298 29.293 55.278 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.259 30.471 56.593 1.00 0.00 H new ATOM 91 N HIS A 6 40.302 31.811 53.795 1.00 0.00 N ATOM 92 CA HIS A 6 40.221 31.936 52.352 1.00 0.00 C ATOM 93 C HIS A 6 40.210 33.420 51.809 1.00 0.00 C ATOM 94 O HIS A 6 40.318 34.363 52.586 1.00 0.00 O ATOM 95 CB HIS A 6 41.152 30.888 51.626 1.00 0.00 C ATOM 96 CG HIS A 6 42.595 31.294 51.423 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.999 32.490 50.805 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.773 30.670 51.731 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.323 32.604 50.752 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.812 31.484 51.305 1.00 0.00 N ATOM 0 H HIS A 6 39.437 31.470 54.215 1.00 0.00 H new ATOM 0 HA HIS A 6 39.216 31.639 52.051 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.136 29.962 52.200 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.720 30.666 50.650 1.00 0.00 H new ATOM 0 HD1 HIS A 6 42.352 33.189 50.440 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.876 29.712 52.220 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.889 33.430 50.347 1.00 0.00 H new ATOM 109 N LEU A 7 39.985 33.603 50.449 1.00 0.00 N ATOM 110 CA LEU A 7 39.855 34.923 49.810 1.00 0.00 C ATOM 111 C LEU A 7 41.222 35.698 49.677 1.00 0.00 C ATOM 112 O LEU A 7 42.282 35.154 49.978 1.00 0.00 O ATOM 113 CB LEU A 7 38.695 35.772 50.381 1.00 0.00 C ATOM 114 CG LEU A 7 37.304 35.085 50.470 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.252 36.033 51.071 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.786 34.595 49.108 1.00 0.00 C ATOM 0 H LEU A 7 39.894 32.826 49.794 1.00 0.00 H new ATOM 0 HA LEU A 7 39.561 34.717 48.781 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.976 36.102 51.381 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.594 36.667 49.766 1.00 0.00 H new ATOM 0 HG LEU A 7 37.451 34.220 51.116 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.289 35.524 51.120 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.559 36.327 52.075 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.162 36.920 50.444 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.811 34.125 49.237 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.693 35.442 48.428 1.00 0.00 H new ATOM 0 HD23 LEU A 7 37.486 33.871 48.692 1.00 0.00 H new ATOM 128 N GLY A 8 41.184 36.951 49.072 1.00 0.00 N ATOM 129 CA GLY A 8 42.410 37.733 48.823 1.00 0.00 C ATOM 130 C GLY A 8 43.107 37.458 47.478 1.00 0.00 C ATOM 131 O GLY A 8 43.647 38.363 46.849 1.00 0.00 O ATOM 0 H GLY A 8 40.325 37.407 48.765 1.00 0.00 H new ATOM 0 HA2 GLY A 8 42.161 38.793 48.874 1.00 0.00 H new ATOM 0 HA3 GLY A 8 43.118 37.533 49.627 1.00 0.00 H new ATOM 135 N THR A 9 43.216 36.131 47.138 1.00 0.00 N ATOM 136 CA THR A 9 43.908 35.657 45.947 1.00 0.00 C ATOM 137 C THR A 9 43.404 34.216 45.709 1.00 0.00 C ATOM 138 O THR A 9 43.064 33.847 44.587 1.00 0.00 O ATOM 139 CB THR A 9 45.476 35.590 45.983 1.00 0.00 C ATOM 140 OG1 THR A 9 46.111 36.872 46.019 1.00 0.00 O ATOM 141 CG2 THR A 9 46.075 34.895 44.749 1.00 0.00 C ATOM 0 H THR A 9 42.816 35.380 47.701 1.00 0.00 H new ATOM 0 HA THR A 9 43.685 36.391 45.172 1.00 0.00 H new ATOM 0 HB THR A 9 45.666 35.032 46.900 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.450 37.558 46.249 1.00 0.00 H new ATOM 0 HG21 THR A 9 47.162 34.880 44.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 45.701 33.873 44.690 1.00 0.00 H new ATOM 0 HG23 THR A 9 45.787 35.439 43.849 1.00 0.00 H new ATOM 149 N LYS A 10 43.378 33.383 46.821 1.00 0.00 N ATOM 150 CA LYS A 10 43.097 31.945 46.678 1.00 0.00 C ATOM 151 C LYS A 10 41.603 31.578 47.057 1.00 0.00 C ATOM 152 O LYS A 10 41.069 32.048 48.058 1.00 0.00 O ATOM 153 CB LYS A 10 44.009 31.041 47.560 1.00 0.00 C ATOM 154 CG LYS A 10 44.273 29.625 46.990 1.00 0.00 C ATOM 155 CD LYS A 10 44.408 28.550 48.089 1.00 0.00 C ATOM 156 CE LYS A 10 44.244 27.126 47.541 1.00 0.00 C ATOM 157 NZ LYS A 10 43.984 26.120 48.670 1.00 0.00 N ATOM 0 H LYS A 10 43.545 33.694 47.778 1.00 0.00 H new ATOM 0 HA LYS A 10 43.292 31.752 45.623 1.00 0.00 H new ATOM 0 HB2 LYS A 10 44.966 31.544 47.702 1.00 0.00 H new ATOM 0 HB3 LYS A 10 43.553 30.941 48.545 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.458 29.351 46.319 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.185 29.643 46.393 1.00 0.00 H new ATOM 0 HD2 LYS A 10 45.384 28.642 48.565 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.659 28.728 48.861 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.417 27.100 46.831 1.00 0.00 H new ATOM 0 HE3 LYS A 10 45.142 26.839 46.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.598 25.241 48.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.876 25.913 49.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 43.302 26.523 49.344 1.00 0.00 H new ATOM 171 N PRO A 11 40.984 30.586 46.283 1.00 0.00 N ATOM 172 CA PRO A 11 39.680 29.988 46.634 1.00 0.00 C ATOM 173 C PRO A 11 39.645 29.291 48.052 1.00 0.00 C ATOM 174 O PRO A 11 40.688 29.086 48.670 1.00 0.00 O ATOM 175 CB PRO A 11 39.472 28.974 45.494 1.00 0.00 C ATOM 176 CG PRO A 11 39.978 29.755 44.272 1.00 0.00 C ATOM 177 CD PRO A 11 41.197 30.493 44.832 1.00 0.00 C ATOM 0 HA PRO A 11 38.895 30.739 46.721 1.00 0.00 H new ATOM 0 HB2 PRO A 11 40.039 28.057 45.655 1.00 0.00 H new ATOM 0 HB3 PRO A 11 38.426 28.687 45.390 1.00 0.00 H new ATOM 0 HG2 PRO A 11 40.247 29.092 43.450 1.00 0.00 H new ATOM 0 HG3 PRO A 11 39.225 30.445 43.891 1.00 0.00 H new ATOM 0 HD2 PRO A 11 42.117 29.954 44.607 1.00 0.00 H new ATOM 0 HD3 PRO A 11 41.291 31.484 44.387 1.00 0.00 H new ATOM 185 N PRO A 12 38.389 28.964 48.571 1.00 0.00 N ATOM 186 CA PRO A 12 38.127 28.369 49.923 1.00 0.00 C ATOM 187 C PRO A 12 39.256 27.439 50.495 1.00 0.00 C ATOM 188 O PRO A 12 39.745 26.503 49.870 1.00 0.00 O ATOM 189 CB PRO A 12 36.809 27.590 49.782 1.00 0.00 C ATOM 190 CG PRO A 12 36.036 28.450 48.774 1.00 0.00 C ATOM 191 CD PRO A 12 37.139 28.893 47.800 1.00 0.00 C ATOM 0 HA PRO A 12 38.085 29.180 50.650 1.00 0.00 H new ATOM 0 HB2 PRO A 12 36.971 26.577 49.414 1.00 0.00 H new ATOM 0 HB3 PRO A 12 36.283 27.503 50.733 1.00 0.00 H new ATOM 0 HG2 PRO A 12 35.254 27.881 48.270 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.552 29.301 49.253 1.00 0.00 H new ATOM 0 HD2 PRO A 12 37.233 28.185 46.976 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.900 29.862 47.362 1.00 0.00 H new ATOM 199 N THR A 13 39.667 27.743 51.788 1.00 0.00 N ATOM 200 CA THR A 13 40.685 26.985 52.532 1.00 0.00 C ATOM 201 C THR A 13 40.508 27.354 54.060 1.00 0.00 C ATOM 202 O THR A 13 40.020 28.430 54.410 1.00 0.00 O ATOM 203 CB THR A 13 42.173 27.182 52.151 1.00 0.00 C ATOM 204 OG1 THR A 13 42.385 27.186 50.732 1.00 0.00 O ATOM 205 CG2 THR A 13 43.177 26.168 52.721 1.00 0.00 C ATOM 0 H THR A 13 39.283 28.526 52.317 1.00 0.00 H new ATOM 0 HA THR A 13 40.498 25.942 52.277 1.00 0.00 H new ATOM 0 HB THR A 13 42.370 28.151 52.610 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.151 28.066 50.369 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.181 26.419 52.379 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.146 26.199 53.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.917 25.166 52.379 1.00 0.00 H new ATOM 213 N THR A 14 40.945 26.402 54.962 1.00 0.00 N ATOM 214 CA THR A 14 40.594 26.413 56.386 1.00 0.00 C ATOM 215 C THR A 14 41.785 25.933 57.284 1.00 0.00 C ATOM 216 O THR A 14 42.711 25.281 56.803 1.00 0.00 O ATOM 217 CB THR A 14 39.316 25.575 56.563 1.00 0.00 C ATOM 218 OG1 THR A 14 39.592 24.187 56.367 1.00 0.00 O ATOM 219 CG2 THR A 14 38.211 26.062 55.590 1.00 0.00 C ATOM 0 H THR A 14 41.546 25.621 54.697 1.00 0.00 H new ATOM 0 HA THR A 14 40.394 27.431 56.721 1.00 0.00 H new ATOM 0 HB THR A 14 38.955 25.706 57.583 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.768 23.670 56.485 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.313 25.459 55.728 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.981 27.108 55.795 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.561 25.962 54.563 1.00 0.00 H new ATOM 227 N GLU A 15 41.760 26.320 58.616 1.00 0.00 N ATOM 228 CA GLU A 15 42.904 26.089 59.519 1.00 0.00 C ATOM 229 C GLU A 15 42.441 25.350 60.823 1.00 0.00 C ATOM 230 O GLU A 15 41.688 25.861 61.653 1.00 0.00 O ATOM 231 CB GLU A 15 43.659 27.376 59.926 1.00 0.00 C ATOM 232 CG GLU A 15 44.250 28.145 58.723 1.00 0.00 C ATOM 233 CD GLU A 15 45.502 28.906 59.131 1.00 0.00 C ATOM 234 OE1 GLU A 15 46.630 28.435 59.162 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.250 30.174 59.440 1.00 0.00 O ATOM 0 H GLU A 15 40.965 26.782 59.057 1.00 0.00 H new ATOM 0 HA GLU A 15 43.597 25.473 58.945 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.978 28.032 60.469 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.464 27.115 60.612 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.489 27.447 57.921 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.508 28.840 58.330 1.00 0.00 H new ATOM 243 N THR A 16 42.984 24.082 60.997 1.00 0.00 N ATOM 244 CA THR A 16 42.838 23.309 62.243 1.00 0.00 C ATOM 245 C THR A 16 43.860 23.958 63.244 1.00 0.00 C ATOM 246 O THR A 16 45.060 24.056 62.987 1.00 0.00 O ATOM 247 CB THR A 16 43.138 21.788 62.097 1.00 0.00 C ATOM 248 OG1 THR A 16 42.084 21.193 61.334 1.00 0.00 O ATOM 249 CG2 THR A 16 43.273 21.033 63.429 1.00 0.00 C ATOM 0 H THR A 16 43.520 23.600 60.275 1.00 0.00 H new ATOM 0 HA THR A 16 41.801 23.352 62.576 1.00 0.00 H new ATOM 0 HB THR A 16 44.107 21.708 61.605 1.00 0.00 H new ATOM 0 HG1 THR A 16 42.257 20.234 61.230 1.00 0.00 H new ATOM 0 HG21 THR A 16 43.481 19.981 63.232 1.00 0.00 H new ATOM 0 HG22 THR A 16 44.090 21.462 64.009 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.344 21.119 63.992 1.00 0.00 H new ATOM 257 N CYS A 17 43.343 24.393 64.453 1.00 0.00 N ATOM 258 CA CYS A 17 44.122 25.156 65.436 1.00 0.00 C ATOM 259 C CYS A 17 44.128 24.415 66.824 1.00 0.00 C ATOM 260 O CYS A 17 43.135 23.912 67.351 1.00 0.00 O ATOM 261 CB CYS A 17 43.554 26.559 65.623 1.00 0.00 C ATOM 262 SG CYS A 17 44.588 27.933 66.238 1.00 0.00 S ATOM 0 H CYS A 17 42.382 24.213 64.745 1.00 0.00 H new ATOM 0 HA CYS A 17 45.141 25.236 65.056 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.155 26.870 64.658 1.00 0.00 H new ATOM 0 HB3 CYS A 17 42.708 26.470 66.304 1.00 0.00 H new ATOM 267 N GLN A 18 45.366 24.465 67.418 1.00 0.00 N ATOM 268 CA GLN A 18 45.786 24.013 68.739 1.00 0.00 C ATOM 269 C GLN A 18 45.847 25.229 69.729 1.00 0.00 C ATOM 270 O GLN A 18 45.787 25.043 70.943 1.00 0.00 O ATOM 271 CB GLN A 18 47.136 23.263 68.657 1.00 0.00 C ATOM 272 CG GLN A 18 48.428 24.061 68.323 1.00 0.00 C ATOM 273 CD GLN A 18 48.378 24.784 66.971 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.830 25.860 66.807 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.011 24.153 65.958 1.00 0.00 N ATOM 0 H GLN A 18 46.154 24.868 66.911 1.00 0.00 H new ATOM 0 HA GLN A 18 45.051 23.306 69.125 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.295 22.768 69.615 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.031 22.480 67.906 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.604 24.794 69.110 1.00 0.00 H new ATOM 0 HG3 GLN A 18 49.277 23.378 68.328 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.462 23.253 66.121 1.00 0.00 H new ATOM 0 HE22 GLN A 18 49.038 24.577 65.031 1.00 0.00 H new ATOM 284 N GLU A 19 45.979 26.503 69.187 1.00 0.00 N ATOM 285 CA GLU A 19 45.873 27.764 69.918 1.00 0.00 C ATOM 286 C GLU A 19 44.312 27.975 70.005 1.00 0.00 C ATOM 287 O GLU A 19 43.669 28.326 69.021 1.00 0.00 O ATOM 288 CB GLU A 19 46.561 28.928 69.158 1.00 0.00 C ATOM 289 CG GLU A 19 48.058 29.122 69.470 1.00 0.00 C ATOM 290 CD GLU A 19 48.611 30.198 68.540 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.941 30.027 67.379 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.694 31.381 69.144 1.00 0.00 O ATOM 0 H GLU A 19 46.168 26.646 68.195 1.00 0.00 H new ATOM 0 HA GLU A 19 46.365 27.742 70.890 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.449 28.758 68.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.035 29.854 69.391 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.193 29.415 70.511 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.599 28.186 69.330 1.00 0.00 H new ATOM 300 N ASP A 20 43.744 27.795 71.257 1.00 0.00 N ATOM 301 CA ASP A 20 42.352 27.759 71.730 1.00 0.00 C ATOM 302 C ASP A 20 41.359 28.897 71.252 1.00 0.00 C ATOM 303 O ASP A 20 40.263 28.976 71.820 1.00 0.00 O ATOM 304 CB ASP A 20 41.673 26.380 71.754 1.00 0.00 C ATOM 305 CG ASP A 20 41.205 25.790 70.409 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.442 26.436 69.388 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.574 24.725 70.492 1.00 0.00 O ATOM 0 H ASP A 20 44.368 27.654 72.051 1.00 0.00 H new ATOM 0 HA ASP A 20 42.560 28.022 72.767 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.367 25.672 72.208 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.807 26.444 72.412 1.00 0.00 H new ATOM 312 N SER A 21 41.709 29.821 70.289 1.00 0.00 N ATOM 313 CA SER A 21 40.814 30.893 69.864 1.00 0.00 C ATOM 314 C SER A 21 41.147 31.204 68.369 1.00 0.00 C ATOM 315 O SER A 21 42.297 31.374 67.952 1.00 0.00 O ATOM 316 CB SER A 21 40.896 32.194 70.698 1.00 0.00 C ATOM 317 OG SER A 21 40.094 33.276 70.233 1.00 0.00 O ATOM 0 H SER A 21 42.610 29.820 69.811 1.00 0.00 H new ATOM 0 HA SER A 21 39.794 30.539 70.011 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.606 31.965 71.724 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.935 32.522 70.726 1.00 0.00 H new ATOM 0 HG SER A 21 39.264 32.926 69.848 1.00 0.00 H new ATOM 323 N CYS A 22 40.056 31.269 67.521 1.00 0.00 N ATOM 324 CA CYS A 22 40.219 31.550 66.104 1.00 0.00 C ATOM 325 C CYS A 22 39.139 32.577 65.644 1.00 0.00 C ATOM 326 O CYS A 22 38.002 32.614 66.109 1.00 0.00 O ATOM 327 CB CYS A 22 40.308 30.250 65.273 1.00 0.00 C ATOM 328 SG CYS A 22 38.881 29.126 65.134 1.00 0.00 S ATOM 0 H CYS A 22 39.090 31.129 67.818 1.00 0.00 H new ATOM 0 HA CYS A 22 41.179 32.033 65.921 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.588 30.537 64.260 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.135 29.667 65.679 1.00 0.00 H new ATOM 333 N TYR A 23 39.582 33.477 64.688 1.00 0.00 N ATOM 334 CA TYR A 23 38.916 34.772 64.504 1.00 0.00 C ATOM 335 C TYR A 23 38.449 35.154 63.079 1.00 0.00 C ATOM 336 O TYR A 23 38.928 34.613 62.085 1.00 0.00 O ATOM 337 CB TYR A 23 39.979 35.849 64.935 1.00 0.00 C ATOM 338 CG TYR A 23 41.294 35.801 64.164 1.00 0.00 C ATOM 339 CD1 TYR A 23 41.430 36.383 62.905 1.00 0.00 C ATOM 340 CD2 TYR A 23 42.437 35.226 64.723 1.00 0.00 C ATOM 341 CE1 TYR A 23 42.653 36.455 62.249 1.00 0.00 C ATOM 342 CE2 TYR A 23 43.667 35.286 64.086 1.00 0.00 C ATOM 343 CZ TYR A 23 43.800 35.926 62.841 1.00 0.00 C ATOM 344 OH TYR A 23 45.035 35.998 62.270 1.00 0.00 O ATOM 0 H TYR A 23 40.373 33.312 64.066 1.00 0.00 H new ATOM 0 HA TYR A 23 37.995 34.717 65.084 1.00 0.00 H new ATOM 0 HB2 TYR A 23 39.540 36.839 64.814 1.00 0.00 H new ATOM 0 HB3 TYR A 23 40.193 35.722 65.996 1.00 0.00 H new ATOM 0 HD1 TYR A 23 40.555 36.792 62.422 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.361 34.722 65.675 1.00 0.00 H new ATOM 0 HE1 TYR A 23 42.716 36.922 61.277 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.532 34.836 64.551 1.00 0.00 H new ATOM 0 HH TYR A 23 45.692 35.566 62.855 1.00 0.00 H new ATOM 354 N LYS A 24 37.502 36.181 63.038 1.00 0.00 N ATOM 355 CA LYS A 24 37.171 36.866 61.783 1.00 0.00 C ATOM 356 C LYS A 24 38.086 38.149 61.680 1.00 0.00 C ATOM 357 O LYS A 24 38.295 38.896 62.634 1.00 0.00 O ATOM 358 CB LYS A 24 35.714 37.355 61.629 1.00 0.00 C ATOM 359 CG LYS A 24 34.550 36.442 62.068 1.00 0.00 C ATOM 360 CD LYS A 24 34.400 35.034 61.463 1.00 0.00 C ATOM 361 CE LYS A 24 33.213 34.378 62.186 1.00 0.00 C ATOM 362 NZ LYS A 24 32.819 33.002 61.676 1.00 0.00 N ATOM 0 H LYS A 24 36.989 36.518 63.852 1.00 0.00 H new ATOM 0 HA LYS A 24 37.327 36.119 61.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.623 38.288 62.185 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.561 37.595 60.577 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.622 36.323 63.149 1.00 0.00 H new ATOM 0 HG3 LYS A 24 33.624 36.980 61.868 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.219 35.089 60.390 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.311 34.452 61.603 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.454 34.299 63.246 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.350 35.038 62.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.496 32.416 62.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.051 33.096 60.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.640 32.551 61.225 1.00 0.00 H new ATOM 376 N ASN A 25 38.608 38.424 60.437 1.00 0.00 N ATOM 377 CA ASN A 25 39.490 39.566 60.156 1.00 0.00 C ATOM 378 C ASN A 25 38.916 40.138 58.805 1.00 0.00 C ATOM 379 O ASN A 25 38.854 39.430 57.802 1.00 0.00 O ATOM 380 CB ASN A 25 40.939 39.132 60.079 1.00 0.00 C ATOM 381 CG ASN A 25 41.839 40.321 59.890 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.437 40.862 60.799 1.00 0.00 O ATOM 383 ND2 ASN A 25 41.890 40.771 58.624 1.00 0.00 N ATOM 0 H ASN A 25 38.417 37.848 59.617 1.00 0.00 H new ATOM 0 HA ASN A 25 39.498 40.327 60.936 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.214 38.602 60.991 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.072 38.434 59.252 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.446 41.596 58.398 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.373 40.288 57.890 1.00 0.00 H new ATOM 390 N ILE A 26 38.513 41.482 58.791 1.00 0.00 N ATOM 391 CA ILE A 26 37.426 41.882 57.844 1.00 0.00 C ATOM 392 C ILE A 26 37.631 43.195 56.993 1.00 0.00 C ATOM 393 O ILE A 26 36.921 43.428 56.017 1.00 0.00 O ATOM 394 CB ILE A 26 36.117 42.018 58.674 1.00 0.00 C ATOM 395 CG1 ILE A 26 35.879 43.389 59.367 1.00 0.00 C ATOM 396 CG2 ILE A 26 35.933 40.871 59.701 1.00 0.00 C ATOM 397 CD1 ILE A 26 36.788 43.773 60.545 1.00 0.00 C ATOM 0 H ILE A 26 38.896 42.226 59.374 1.00 0.00 H new ATOM 0 HA ILE A 26 37.408 41.096 57.089 1.00 0.00 H new ATOM 0 HB ILE A 26 35.351 41.944 57.902 1.00 0.00 H new ATOM 0 HG12 ILE A 26 35.971 44.166 58.608 1.00 0.00 H new ATOM 0 HG13 ILE A 26 34.848 43.409 59.721 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.003 41.020 60.250 1.00 0.00 H new ATOM 0 HG22 ILE A 26 35.896 39.916 59.177 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.770 40.870 60.399 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.500 44.754 60.922 1.00 0.00 H new ATOM 0 HD12 ILE A 26 36.685 43.034 61.340 1.00 0.00 H new ATOM 0 HD13 ILE A 26 37.825 43.803 60.210 1.00 0.00 H new ATOM 409 N TRP A 27 38.598 44.065 57.428 1.00 0.00 N ATOM 410 CA TRP A 27 39.099 45.354 56.927 1.00 0.00 C ATOM 411 C TRP A 27 40.138 45.022 55.772 1.00 0.00 C ATOM 412 O TRP A 27 39.767 44.639 54.666 1.00 0.00 O ATOM 413 CB TRP A 27 39.745 46.149 58.139 1.00 0.00 C ATOM 414 CG TRP A 27 40.275 45.232 59.218 1.00 0.00 C ATOM 415 CD1 TRP A 27 40.823 43.937 58.982 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.101 45.280 60.601 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.846 43.167 60.100 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.436 44.024 61.108 1.00 0.00 C ATOM 419 CE3 TRP A 27 39.511 46.204 61.506 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.252 43.617 62.382 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.311 45.823 62.827 1.00 0.00 C ATOM 422 CH2 TRP A 27 39.687 44.539 63.270 1.00 0.00 C ATOM 0 H TRP A 27 39.113 43.820 58.274 1.00 0.00 H new ATOM 0 HA TRP A 27 38.315 45.990 56.516 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.557 46.774 57.767 1.00 0.00 H new ATOM 0 HB3 TRP A 27 38.999 46.817 58.569 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.181 43.605 58.019 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.105 42.184 60.179 1.00 0.00 H new ATOM 0 HE3 TRP A 27 39.222 47.189 61.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 40.529 42.623 62.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 38.863 46.518 63.522 1.00 0.00 H new ATOM 0 HH2 TRP A 27 39.538 44.264 64.304 1.00 0.00 H new ATOM 433 N THR A 28 41.489 45.189 56.066 1.00 0.00 N ATOM 434 CA THR A 28 42.595 44.801 55.191 1.00 0.00 C ATOM 435 C THR A 28 42.872 45.818 54.022 1.00 0.00 C ATOM 436 O THR A 28 42.017 46.606 53.629 1.00 0.00 O ATOM 437 CB THR A 28 42.538 43.356 54.623 1.00 0.00 C ATOM 438 OG1 THR A 28 43.838 42.951 54.213 1.00 0.00 O ATOM 439 CG2 THR A 28 41.898 42.261 55.490 1.00 0.00 C ATOM 0 H THR A 28 41.806 45.607 56.941 1.00 0.00 H new ATOM 0 HA THR A 28 43.435 44.826 55.885 1.00 0.00 H new ATOM 0 HB THR A 28 41.843 43.444 53.788 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.920 43.050 53.242 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.933 41.310 54.959 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.446 42.173 56.428 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.861 42.522 55.699 1.00 0.00 H new ATOM 447 N PHE A 29 44.136 45.750 53.443 1.00 0.00 N ATOM 448 CA PHE A 29 44.524 46.643 52.345 1.00 0.00 C ATOM 449 C PHE A 29 43.729 46.286 51.049 1.00 0.00 C ATOM 450 O PHE A 29 43.349 47.175 50.290 1.00 0.00 O ATOM 451 CB PHE A 29 46.036 46.608 52.008 1.00 0.00 C ATOM 452 CG PHE A 29 46.915 46.690 53.241 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.191 47.909 53.866 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.467 45.529 53.795 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.975 47.973 55.019 1.00 0.00 C ATOM 456 CE2 PHE A 29 48.254 45.574 54.946 1.00 0.00 C ATOM 457 CZ PHE A 29 48.507 46.801 55.570 1.00 0.00 C ATOM 0 H PHE A 29 44.862 45.094 53.732 1.00 0.00 H new ATOM 0 HA PHE A 29 44.287 47.648 52.695 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.262 45.689 51.467 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.274 47.437 51.342 1.00 0.00 H new ATOM 0 HD1 PHE A 29 46.789 48.820 53.448 1.00 0.00 H new ATOM 0 HD2 PHE A 29 47.279 44.577 53.321 1.00 0.00 H new ATOM 0 HE1 PHE A 29 48.171 48.927 55.486 1.00 0.00 H new ATOM 0 HE2 PHE A 29 48.667 44.664 55.355 1.00 0.00 H new ATOM 0 HZ PHE A 29 49.106 46.843 56.467 1.00 0.00 H new ATOM 467 N ASP A 30 43.523 44.945 50.797 1.00 0.00 N ATOM 468 CA ASP A 30 42.808 44.348 49.680 1.00 0.00 C ATOM 469 C ASP A 30 41.241 44.429 49.837 1.00 0.00 C ATOM 470 O ASP A 30 40.557 44.075 48.876 1.00 0.00 O ATOM 471 CB ASP A 30 43.329 42.917 49.402 1.00 0.00 C ATOM 472 CG ASP A 30 43.485 41.895 50.565 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.503 42.347 51.711 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.650 40.718 50.222 1.00 0.00 O ATOM 0 H ASP A 30 43.889 44.233 51.429 1.00 0.00 H new ATOM 0 HA ASP A 30 43.021 44.944 48.793 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.661 42.468 48.667 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.305 43.016 48.927 1.00 0.00 H new ATOM 479 N ASN A 31 40.637 44.923 50.996 1.00 0.00 N ATOM 480 CA ASN A 31 39.196 45.154 51.176 1.00 0.00 C ATOM 481 C ASN A 31 38.503 43.753 51.115 1.00 0.00 C ATOM 482 O ASN A 31 37.818 43.439 50.142 1.00 0.00 O ATOM 483 CB ASN A 31 38.622 46.198 50.203 1.00 0.00 C ATOM 484 CG ASN A 31 37.258 46.698 50.668 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.063 47.159 51.778 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.280 46.628 49.737 1.00 0.00 N ATOM 0 H ASN A 31 41.179 45.165 51.826 1.00 0.00 H new ATOM 0 HA ASN A 31 38.996 45.611 52.145 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.311 47.039 50.120 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.532 45.761 49.209 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.343 46.968 49.955 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.479 46.236 48.817 1.00 0.00 H new ATOM 493 N ILE A 32 38.650 42.915 52.223 1.00 0.00 N ATOM 494 CA ILE A 32 38.221 41.521 52.094 1.00 0.00 C ATOM 495 C ILE A 32 38.129 40.766 53.469 1.00 0.00 C ATOM 496 O ILE A 32 38.688 41.205 54.473 1.00 0.00 O ATOM 497 CB ILE A 32 39.215 40.740 51.177 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.686 39.503 50.416 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.487 40.336 51.951 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.442 39.733 49.541 1.00 0.00 C ATOM 0 H ILE A 32 39.034 43.185 53.129 1.00 0.00 H new ATOM 0 HA ILE A 32 37.221 41.554 51.662 1.00 0.00 H new ATOM 0 HB ILE A 32 39.417 41.475 50.397 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.486 39.121 49.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.456 38.724 51.143 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.160 39.794 51.287 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.986 41.231 52.322 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.214 39.697 52.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 37.161 38.798 49.056 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.618 40.081 50.164 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.665 40.483 48.782 1.00 0.00 H new ATOM 512 N ILE A 33 37.420 39.570 53.479 1.00 0.00 N ATOM 513 CA ILE A 33 37.277 38.758 54.714 1.00 0.00 C ATOM 514 C ILE A 33 38.332 37.595 54.562 1.00 0.00 C ATOM 515 O ILE A 33 38.132 36.602 53.869 1.00 0.00 O ATOM 516 CB ILE A 33 35.864 38.255 55.047 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.824 39.346 55.438 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.892 37.258 56.226 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.550 40.534 54.503 1.00 0.00 C ATOM 0 H ILE A 33 36.959 39.175 52.659 1.00 0.00 H new ATOM 0 HA ILE A 33 37.466 39.390 55.582 1.00 0.00 H new ATOM 0 HB ILE A 33 35.546 37.804 54.107 1.00 0.00 H new ATOM 0 HG12 ILE A 33 33.873 38.840 55.602 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.135 39.758 56.398 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.878 36.919 56.440 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.514 36.402 55.964 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.304 37.749 57.108 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.796 41.182 54.950 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.470 41.098 54.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.188 40.166 53.543 1.00 0.00 H new ATOM 531 N ARG A 34 39.520 37.746 55.260 1.00 0.00 N ATOM 532 CA ARG A 34 40.685 36.860 55.089 1.00 0.00 C ATOM 533 C ARG A 34 41.317 36.842 56.513 1.00 0.00 C ATOM 534 O ARG A 34 41.884 37.800 57.030 1.00 0.00 O ATOM 535 CB ARG A 34 41.592 37.406 53.982 1.00 0.00 C ATOM 536 CG ARG A 34 42.810 36.600 53.501 1.00 0.00 C ATOM 537 CD ARG A 34 43.406 37.288 52.249 1.00 0.00 C ATOM 538 NE ARG A 34 44.005 38.640 52.304 1.00 0.00 N ATOM 539 CZ ARG A 34 44.598 39.257 53.308 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.861 38.662 54.435 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.949 40.498 53.138 1.00 0.00 N ATOM 0 H ARG A 34 39.670 38.487 55.945 1.00 0.00 H new ATOM 0 HA ARG A 34 40.463 35.845 54.759 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.962 37.588 53.111 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.960 38.376 54.317 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.559 36.542 54.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.516 35.577 53.265 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.175 36.620 51.860 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.611 37.327 51.504 1.00 0.00 H new ATOM 0 HE ARG A 34 43.951 39.174 51.437 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.607 37.683 54.566 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.321 39.175 55.187 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.763 40.963 52.249 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.410 41.006 53.893 1.00 0.00 H new ATOM 555 N ARG A 35 41.139 35.630 57.163 1.00 0.00 N ATOM 556 CA ARG A 35 41.132 35.493 58.621 1.00 0.00 C ATOM 557 C ARG A 35 41.865 34.217 59.150 1.00 0.00 C ATOM 558 O ARG A 35 42.614 33.615 58.384 1.00 0.00 O ATOM 559 CB ARG A 35 39.633 35.646 58.984 1.00 0.00 C ATOM 560 CG ARG A 35 38.633 34.713 58.224 1.00 0.00 C ATOM 561 CD ARG A 35 37.237 34.529 58.841 1.00 0.00 C ATOM 562 NE ARG A 35 36.213 33.682 58.166 1.00 0.00 N ATOM 563 CZ ARG A 35 35.926 33.567 56.874 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.837 33.657 55.944 1.00 0.00 N ATOM 565 NH2 ARG A 35 34.686 33.335 56.534 1.00 0.00 N ATOM 0 H ARG A 35 41.000 34.748 56.669 1.00 0.00 H new ATOM 0 HA ARG A 35 41.729 36.248 59.133 1.00 0.00 H new ATOM 0 HB2 ARG A 35 39.521 35.468 60.053 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.341 36.680 58.801 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.507 35.104 57.214 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.093 33.729 58.130 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.380 34.123 59.842 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.805 35.523 58.959 1.00 0.00 H new ATOM 0 HE ARG A 35 35.648 33.105 58.789 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.811 33.821 56.198 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.575 33.563 54.963 1.00 0.00 H new ATOM 0 HH21 ARG A 35 33.968 33.247 57.253 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.436 33.242 55.549 1.00 0.00 H new ATOM 579 N GLY A 36 41.748 33.866 60.500 1.00 0.00 N ATOM 580 CA GLY A 36 42.585 32.708 60.875 1.00 0.00 C ATOM 581 C GLY A 36 42.746 32.245 62.349 1.00 0.00 C ATOM 582 O GLY A 36 41.961 32.556 63.233 1.00 0.00 O ATOM 0 H GLY A 36 41.173 34.304 61.220 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.204 31.852 60.318 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.588 32.912 60.499 1.00 0.00 H new ATOM 586 N CYS A 37 43.823 31.387 62.537 1.00 0.00 N ATOM 587 CA CYS A 37 44.203 30.730 63.807 1.00 0.00 C ATOM 588 C CYS A 37 45.154 31.690 64.611 1.00 0.00 C ATOM 589 O CYS A 37 46.267 31.989 64.178 1.00 0.00 O ATOM 590 CB CYS A 37 44.939 29.413 63.492 1.00 0.00 C ATOM 591 SG CYS A 37 45.880 28.532 64.796 1.00 0.00 S ATOM 0 H CYS A 37 44.452 31.143 61.772 1.00 0.00 H new ATOM 0 HA CYS A 37 43.314 30.515 64.401 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.196 28.715 63.105 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.635 29.621 62.679 1.00 0.00 H new ATOM 596 N GLY A 38 44.681 32.253 65.802 1.00 0.00 N ATOM 597 CA GLY A 38 45.652 33.023 66.581 1.00 0.00 C ATOM 598 C GLY A 38 44.999 33.340 67.944 1.00 0.00 C ATOM 599 O GLY A 38 45.061 32.573 68.900 1.00 0.00 O ATOM 0 H GLY A 38 43.736 32.182 66.179 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.572 32.455 66.718 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.920 33.942 66.060 1.00 0.00 H new ATOM 603 N CYS A 39 44.353 34.565 67.991 1.00 0.00 N ATOM 604 CA CYS A 39 43.566 35.055 69.123 1.00 0.00 C ATOM 605 C CYS A 39 44.464 35.682 70.240 1.00 0.00 C ATOM 606 O CYS A 39 44.255 36.819 70.659 1.00 0.00 O ATOM 607 CB CYS A 39 42.463 35.980 68.580 1.00 0.00 C ATOM 608 SG CYS A 39 41.459 36.790 69.863 1.00 0.00 S ATOM 0 H CYS A 39 44.385 35.227 67.215 1.00 0.00 H new ATOM 0 HA CYS A 39 43.076 34.227 69.635 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.924 36.748 67.958 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.805 35.399 67.934 1.00 0.00 H new ATOM 613 N PHE A 40 45.473 34.874 70.745 1.00 0.00 N ATOM 614 CA PHE A 40 46.218 35.232 71.968 1.00 0.00 C ATOM 615 C PHE A 40 47.394 36.159 71.531 1.00 0.00 C ATOM 616 O PHE A 40 48.549 35.751 71.434 1.00 0.00 O ATOM 617 CB PHE A 40 46.668 33.982 72.759 1.00 0.00 C ATOM 618 CG PHE A 40 45.540 32.975 72.834 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.435 33.141 73.675 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.531 31.900 71.940 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.363 32.252 73.637 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.455 31.025 71.871 1.00 0.00 C ATOM 623 CZ PHE A 40 43.379 31.178 72.748 1.00 0.00 C ATOM 0 H PHE A 40 45.765 33.995 70.317 1.00 0.00 H new ATOM 0 HA PHE A 40 45.582 35.770 72.671 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.536 33.531 72.278 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.975 34.270 73.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.412 33.972 74.365 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.379 31.747 71.289 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.520 32.395 74.296 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.450 30.229 71.141 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.564 30.469 72.738 1.00 0.00 H new ATOM 633 N THR A 41 47.043 37.476 71.309 1.00 0.00 N ATOM 634 CA THR A 41 47.989 38.542 70.919 1.00 0.00 C ATOM 635 C THR A 41 47.984 39.518 72.155 1.00 0.00 C ATOM 636 O THR A 41 47.114 40.382 72.262 1.00 0.00 O ATOM 637 CB THR A 41 47.648 39.258 69.597 1.00 0.00 C ATOM 638 OG1 THR A 41 48.468 40.420 69.474 1.00 0.00 O ATOM 639 CG2 THR A 41 47.766 38.358 68.356 1.00 0.00 C ATOM 0 H THR A 41 46.083 37.809 71.402 1.00 0.00 H new ATOM 0 HA THR A 41 48.974 38.129 70.701 1.00 0.00 H new ATOM 0 HB THR A 41 46.597 39.542 69.640 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.358 40.805 68.579 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.511 38.932 67.465 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.788 37.989 68.270 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.083 37.514 68.452 1.00 0.00 H new ATOM 647 N PRO A 42 49.026 39.419 73.090 1.00 0.00 N ATOM 648 CA PRO A 42 49.099 40.301 74.281 1.00 0.00 C ATOM 649 C PRO A 42 49.839 41.598 73.828 1.00 0.00 C ATOM 650 O PRO A 42 50.954 41.887 74.260 1.00 0.00 O ATOM 651 CB PRO A 42 49.842 39.476 75.353 1.00 0.00 C ATOM 652 CG PRO A 42 50.721 38.548 74.505 1.00 0.00 C ATOM 653 CD PRO A 42 49.760 38.183 73.373 1.00 0.00 C ATOM 0 HA PRO A 42 48.143 40.615 74.701 1.00 0.00 H new ATOM 0 HB2 PRO A 42 50.437 40.108 76.012 1.00 0.00 H new ATOM 0 HB3 PRO A 42 49.152 38.917 75.985 1.00 0.00 H new ATOM 0 HG2 PRO A 42 51.616 39.050 74.139 1.00 0.00 H new ATOM 0 HG3 PRO A 42 51.052 37.672 75.062 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.300 37.834 72.493 1.00 0.00 H new ATOM 0 HD3 PRO A 42 49.084 37.381 73.671 1.00 0.00 H new ATOM 661 N ARG A 43 49.145 42.413 72.953 1.00 0.00 N ATOM 662 CA ARG A 43 49.714 43.655 72.437 1.00 0.00 C ATOM 663 C ARG A 43 48.557 44.690 72.242 1.00 0.00 C ATOM 664 O ARG A 43 47.542 44.422 71.600 1.00 0.00 O ATOM 665 CB ARG A 43 50.419 43.504 71.072 1.00 0.00 C ATOM 666 CG ARG A 43 51.722 42.672 71.092 1.00 0.00 C ATOM 667 CD ARG A 43 52.543 42.617 69.777 1.00 0.00 C ATOM 668 NE ARG A 43 53.235 43.795 69.194 1.00 0.00 N ATOM 669 CZ ARG A 43 53.299 45.055 69.600 1.00 0.00 C ATOM 670 NH1 ARG A 43 53.015 45.399 70.821 1.00 0.00 N ATOM 671 NH2 ARG A 43 53.686 45.986 68.766 1.00 0.00 N ATOM 0 H ARG A 43 48.205 42.209 72.612 1.00 0.00 H new ATOM 0 HA ARG A 43 50.460 43.973 73.165 1.00 0.00 H new ATOM 0 HB2 ARG A 43 49.723 43.043 70.371 1.00 0.00 H new ATOM 0 HB3 ARG A 43 50.647 44.498 70.687 1.00 0.00 H new ATOM 0 HG2 ARG A 43 52.366 43.069 71.877 1.00 0.00 H new ATOM 0 HG3 ARG A 43 51.467 41.651 71.375 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.307 41.854 69.924 1.00 0.00 H new ATOM 0 HD3 ARG A 43 51.866 42.247 69.007 1.00 0.00 H new ATOM 0 HE ARG A 43 53.749 43.601 68.334 1.00 0.00 H new ATOM 0 HH11 ARG A 43 52.733 44.690 71.498 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.074 46.378 71.102 1.00 0.00 H new ATOM 0 HH21 ARG A 43 53.937 45.741 67.808 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.737 46.957 69.074 1.00 0.00 H new ATOM 685 N GLY A 44 48.751 45.952 72.790 1.00 0.00 N ATOM 686 CA GLY A 44 47.804 47.044 72.533 1.00 0.00 C ATOM 687 C GLY A 44 48.156 47.821 71.231 1.00 0.00 C ATOM 688 O GLY A 44 47.254 48.367 70.599 1.00 0.00 O ATOM 0 H GLY A 44 49.537 46.203 73.389 1.00 0.00 H new ATOM 0 HA2 GLY A 44 46.795 46.639 72.453 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.805 47.732 73.378 1.00 0.00 H new ATOM 692 N ASP A 45 49.481 47.892 70.837 1.00 0.00 N ATOM 693 CA ASP A 45 50.008 48.649 69.686 1.00 0.00 C ATOM 694 C ASP A 45 50.262 47.703 68.463 1.00 0.00 C ATOM 695 O ASP A 45 51.150 47.891 67.633 1.00 0.00 O ATOM 696 CB ASP A 45 51.246 49.452 70.121 1.00 0.00 C ATOM 697 CG ASP A 45 52.438 48.546 70.529 1.00 0.00 C ATOM 698 OD1 ASP A 45 52.267 47.882 71.559 1.00 0.00 O ATOM 699 OD2 ASP A 45 53.398 48.513 69.756 1.00 0.00 O ATOM 0 H ASP A 45 50.216 47.399 71.344 1.00 0.00 H new ATOM 0 HA ASP A 45 49.268 49.372 69.343 1.00 0.00 H new ATOM 0 HB2 ASP A 45 51.555 50.105 69.305 1.00 0.00 H new ATOM 0 HB3 ASP A 45 50.980 50.095 70.960 1.00 0.00 H new ATOM 704 N MET A 46 49.345 46.687 68.341 1.00 0.00 N ATOM 705 CA MET A 46 49.315 45.704 67.259 1.00 0.00 C ATOM 706 C MET A 46 47.781 45.452 67.116 1.00 0.00 C ATOM 707 O MET A 46 47.179 44.722 67.905 1.00 0.00 O ATOM 708 CB MET A 46 50.134 44.444 67.571 1.00 0.00 C ATOM 709 CG MET A 46 50.085 43.270 66.579 1.00 0.00 C ATOM 710 SD MET A 46 48.596 42.223 66.734 1.00 0.00 S ATOM 711 CE MET A 46 48.384 41.803 64.997 1.00 0.00 C ATOM 0 H MET A 46 48.598 46.546 69.021 1.00 0.00 H new ATOM 0 HA MET A 46 49.781 46.041 66.333 1.00 0.00 H new ATOM 0 HB2 MET A 46 51.176 44.745 67.677 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.810 44.070 68.542 1.00 0.00 H new ATOM 0 HG2 MET A 46 50.135 43.664 65.564 1.00 0.00 H new ATOM 0 HG3 MET A 46 50.969 42.649 66.724 1.00 0.00 H new ATOM 0 HE1 MET A 46 47.512 41.159 64.882 1.00 0.00 H new ATOM 0 HE2 MET A 46 48.240 42.715 64.417 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.271 41.281 64.638 1.00 0.00 H new ATOM 721 N PRO A 47 47.117 46.090 66.067 1.00 0.00 N ATOM 722 CA PRO A 47 45.652 45.999 65.938 1.00 0.00 C ATOM 723 C PRO A 47 45.219 44.509 65.803 1.00 0.00 C ATOM 724 O PRO A 47 45.647 43.774 64.913 1.00 0.00 O ATOM 725 CB PRO A 47 45.299 46.815 64.685 1.00 0.00 C ATOM 726 CG PRO A 47 46.371 47.912 64.727 1.00 0.00 C ATOM 727 CD PRO A 47 47.615 47.118 65.149 1.00 0.00 C ATOM 0 HA PRO A 47 45.130 46.389 66.812 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.358 46.217 63.775 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.290 47.225 64.732 1.00 0.00 H new ATOM 0 HG2 PRO A 47 46.502 48.393 63.758 1.00 0.00 H new ATOM 0 HG3 PRO A 47 46.125 48.697 65.442 1.00 0.00 H new ATOM 0 HD2 PRO A 47 48.109 46.671 64.286 1.00 0.00 H new ATOM 0 HD3 PRO A 47 48.347 47.762 65.637 1.00 0.00 H new ATOM 735 N GLY A 48 44.308 44.052 66.744 1.00 0.00 N ATOM 736 CA GLY A 48 43.830 42.672 66.723 1.00 0.00 C ATOM 737 C GLY A 48 42.508 42.472 65.941 1.00 0.00 C ATOM 738 O GLY A 48 41.780 43.414 65.637 1.00 0.00 O ATOM 0 H GLY A 48 43.919 44.626 67.492 1.00 0.00 H new ATOM 0 HA2 GLY A 48 44.600 42.039 66.282 1.00 0.00 H new ATOM 0 HA3 GLY A 48 43.688 42.333 67.749 1.00 0.00 H new ATOM 742 N PRO A 49 42.196 41.149 65.691 1.00 0.00 N ATOM 743 CA PRO A 49 40.989 40.742 64.980 1.00 0.00 C ATOM 744 C PRO A 49 39.777 40.638 65.944 1.00 0.00 C ATOM 745 O PRO A 49 39.876 40.683 67.169 1.00 0.00 O ATOM 746 CB PRO A 49 41.365 39.368 64.408 1.00 0.00 C ATOM 747 CG PRO A 49 42.253 38.782 65.509 1.00 0.00 C ATOM 748 CD PRO A 49 43.056 39.999 65.971 1.00 0.00 C ATOM 0 HA PRO A 49 40.685 41.454 64.213 1.00 0.00 H new ATOM 0 HB2 PRO A 49 40.486 38.751 64.224 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.897 39.455 63.461 1.00 0.00 H new ATOM 0 HG2 PRO A 49 41.664 38.353 66.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.899 37.990 65.130 1.00 0.00 H new ATOM 0 HD2 PRO A 49 43.295 39.934 67.032 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.002 40.074 65.435 1.00 0.00 H new ATOM 756 N TYR A 50 38.573 40.505 65.287 1.00 0.00 N ATOM 757 CA TYR A 50 37.312 40.328 66.008 1.00 0.00 C ATOM 758 C TYR A 50 37.295 38.769 66.247 1.00 0.00 C ATOM 759 O TYR A 50 37.170 37.977 65.313 1.00 0.00 O ATOM 760 CB TYR A 50 36.090 40.887 65.226 1.00 0.00 C ATOM 761 CG TYR A 50 34.867 40.020 65.427 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.430 39.612 66.685 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.187 39.518 64.318 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.409 38.685 66.837 1.00 0.00 C ATOM 765 CE2 TYR A 50 33.157 38.605 64.445 1.00 0.00 C ATOM 766 CZ TYR A 50 32.754 38.164 65.718 1.00 0.00 C ATOM 767 OH TYR A 50 31.740 37.256 65.808 1.00 0.00 O ATOM 0 H TYR A 50 38.476 40.520 64.272 1.00 0.00 H new ATOM 0 HA TYR A 50 37.240 40.889 66.940 1.00 0.00 H new ATOM 0 HB2 TYR A 50 35.877 41.903 65.558 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.329 40.942 64.164 1.00 0.00 H new ATOM 0 HD1 TYR A 50 34.898 40.028 67.565 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.473 39.852 63.332 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.119 38.364 67.826 1.00 0.00 H new ATOM 0 HE2 TYR A 50 32.660 38.229 63.563 1.00 0.00 H new ATOM 0 HH TYR A 50 31.425 37.027 64.909 1.00 0.00 H new ATOM 777 N CYS A 51 37.376 38.304 67.561 1.00 0.00 N ATOM 778 CA CYS A 51 37.677 36.877 67.803 1.00 0.00 C ATOM 779 C CYS A 51 36.515 36.045 68.422 1.00 0.00 C ATOM 780 O CYS A 51 35.638 36.542 69.123 1.00 0.00 O ATOM 781 CB CYS A 51 38.840 36.726 68.809 1.00 0.00 C ATOM 782 SG CYS A 51 40.284 37.770 68.480 1.00 0.00 S ATOM 0 H CYS A 51 37.243 38.874 68.396 1.00 0.00 H new ATOM 0 HA CYS A 51 37.899 36.501 66.804 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.467 36.953 69.808 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.159 35.684 68.817 1.00 0.00 H new ATOM 787 N CYS A 52 36.619 34.689 68.172 1.00 0.00 N ATOM 788 CA CYS A 52 35.696 33.695 68.708 1.00 0.00 C ATOM 789 C CYS A 52 36.486 32.524 69.383 1.00 0.00 C ATOM 790 O CYS A 52 37.658 32.273 69.107 1.00 0.00 O ATOM 791 CB CYS A 52 34.795 33.157 67.607 1.00 0.00 C ATOM 792 SG CYS A 52 33.274 32.375 68.227 1.00 0.00 S ATOM 0 H CYS A 52 37.355 34.288 67.591 1.00 0.00 H new ATOM 0 HA CYS A 52 35.073 34.175 69.463 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.526 33.974 66.937 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.352 32.430 67.016 1.00 0.00 H new ATOM 797 N GLU A 53 35.772 31.776 70.289 1.00 0.00 N ATOM 798 CA GLU A 53 36.355 30.647 71.030 1.00 0.00 C ATOM 799 C GLU A 53 35.421 29.414 70.841 1.00 0.00 C ATOM 800 O GLU A 53 35.128 28.677 71.783 1.00 0.00 O ATOM 801 CB GLU A 53 36.653 31.032 72.493 1.00 0.00 C ATOM 802 CG GLU A 53 35.454 31.489 73.357 1.00 0.00 C ATOM 803 CD GLU A 53 34.858 32.806 72.859 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.361 33.902 72.989 1.00 0.00 O ATOM 805 OE2 GLU A 53 33.680 32.619 72.256 1.00 0.00 O ATOM 0 H GLU A 53 34.792 31.951 70.510 1.00 0.00 H new ATOM 0 HA GLU A 53 37.333 30.372 70.635 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.115 30.174 72.982 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.392 31.833 72.489 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.685 30.717 73.347 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.776 31.605 74.392 1.00 0.00 H new ATOM 813 N SER A 54 34.994 29.171 69.546 1.00 0.00 N ATOM 814 CA SER A 54 34.132 28.040 69.229 1.00 0.00 C ATOM 815 C SER A 54 34.326 27.572 67.750 1.00 0.00 C ATOM 816 O SER A 54 35.109 28.143 66.991 1.00 0.00 O ATOM 817 CB SER A 54 32.631 28.209 69.560 1.00 0.00 C ATOM 818 OG SER A 54 31.954 29.032 68.620 1.00 0.00 O ATOM 0 H SER A 54 35.245 29.749 68.744 1.00 0.00 H new ATOM 0 HA SER A 54 34.471 27.261 69.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.156 27.228 69.587 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.529 28.641 70.556 1.00 0.00 H new ATOM 0 HG SER A 54 32.606 29.583 68.138 1.00 0.00 H new ATOM 824 N ASP A 55 33.621 26.435 67.395 1.00 0.00 N ATOM 825 CA ASP A 55 33.779 25.836 66.068 1.00 0.00 C ATOM 826 C ASP A 55 33.016 26.776 65.049 1.00 0.00 C ATOM 827 O ASP A 55 31.791 26.877 65.045 1.00 0.00 O ATOM 828 CB ASP A 55 33.241 24.384 66.061 1.00 0.00 C ATOM 829 CG ASP A 55 33.801 23.529 64.901 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.992 23.716 64.616 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.015 22.742 64.367 1.00 0.00 O ATOM 0 H ASP A 55 32.965 25.950 68.008 1.00 0.00 H new ATOM 0 HA ASP A 55 34.828 25.763 65.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.491 23.907 67.008 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.153 24.407 65.994 1.00 0.00 H new ATOM 836 N LYS A 56 33.807 27.511 64.165 1.00 0.00 N ATOM 837 CA LYS A 56 33.366 28.341 63.048 1.00 0.00 C ATOM 838 C LYS A 56 32.710 29.694 63.472 1.00 0.00 C ATOM 839 O LYS A 56 33.092 30.737 62.939 1.00 0.00 O ATOM 840 CB LYS A 56 32.510 27.628 61.980 1.00 0.00 C ATOM 841 CG LYS A 56 33.215 26.454 61.256 1.00 0.00 C ATOM 842 CD LYS A 56 33.473 25.201 62.105 1.00 0.00 C ATOM 843 CE LYS A 56 33.927 23.971 61.315 1.00 0.00 C ATOM 844 NZ LYS A 56 34.346 22.890 62.323 1.00 0.00 N ATOM 0 H LYS A 56 34.823 27.513 64.253 1.00 0.00 H new ATOM 0 HA LYS A 56 34.314 28.573 62.562 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.603 27.252 62.454 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.200 28.361 61.235 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.611 26.168 60.395 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.170 26.811 60.871 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.231 25.436 62.852 1.00 0.00 H new ATOM 0 HD3 LYS A 56 32.560 24.951 62.645 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.120 23.607 60.679 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.760 24.225 60.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.755 22.080 61.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.054 23.281 62.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.513 22.576 62.861 1.00 0.00 H new ATOM 858 N CYS A 57 31.669 29.672 64.374 1.00 0.00 N ATOM 859 CA CYS A 57 30.930 30.849 64.831 1.00 0.00 C ATOM 860 C CYS A 57 30.357 31.558 63.539 1.00 0.00 C ATOM 861 O CYS A 57 30.579 32.754 63.363 1.00 0.00 O ATOM 862 CB CYS A 57 31.694 31.812 65.784 1.00 0.00 C ATOM 863 SG CYS A 57 32.973 30.960 66.762 1.00 0.00 S ATOM 0 H CYS A 57 31.334 28.806 64.796 1.00 0.00 H new ATOM 0 HA CYS A 57 30.126 30.515 65.487 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.158 32.605 65.198 1.00 0.00 H new ATOM 0 HB3 CYS A 57 30.983 32.289 66.459 1.00 0.00 H new ATOM 868 N ASN A 58 29.628 30.803 62.624 1.00 0.00 N ATOM 869 CA ASN A 58 28.997 31.353 61.417 1.00 0.00 C ATOM 870 C ASN A 58 30.138 31.895 60.480 1.00 0.00 C ATOM 871 O ASN A 58 30.400 33.094 60.414 1.00 0.00 O ATOM 872 CB ASN A 58 27.860 32.364 61.631 1.00 0.00 C ATOM 873 CG ASN A 58 26.748 31.783 62.499 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.799 31.752 63.715 1.00 0.00 O ATOM 875 ND2 ASN A 58 25.678 31.312 61.816 1.00 0.00 N ATOM 0 H ASN A 58 29.481 29.800 62.733 1.00 0.00 H new ATOM 0 HA ASN A 58 28.456 30.535 60.941 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.256 33.264 62.101 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.451 32.662 60.666 1.00 0.00 H new ATOM 0 HD21 ASN A 58 24.884 30.917 62.321 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.665 31.352 60.797 1.00 0.00 H new ATOM 882 N LEU A 59 30.818 30.943 59.733 1.00 0.00 N ATOM 883 CA LEU A 59 31.788 31.215 58.642 1.00 0.00 C ATOM 884 C LEU A 59 32.990 32.162 59.107 1.00 0.00 C ATOM 885 O LEU A 59 33.008 33.315 58.666 1.00 0.00 O ATOM 886 CB LEU A 59 31.134 31.774 57.352 1.00 0.00 C ATOM 887 CG LEU A 59 30.252 30.873 56.460 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.577 31.702 55.356 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.073 29.743 55.818 1.00 0.00 C ATOM 890 OXT LEU A 59 33.806 31.662 59.890 1.00 0.00 O ATOM 0 H LEU A 59 30.688 29.944 59.894 1.00 0.00 H new ATOM 0 HA LEU A 59 32.199 30.236 58.396 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.525 32.629 57.646 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.939 32.157 56.725 1.00 0.00 H new ATOM 0 HG LEU A 59 29.489 30.429 57.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 28.960 31.050 54.738 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.952 32.471 55.809 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.340 32.173 54.737 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.422 29.128 55.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.863 30.172 55.202 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.517 29.127 56.600 1.00 0.00 H new TER 902 LEU A 59