USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=17 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 5 ASN : amide:sc= -1.14 K(o=-1.3,f=-2.4) USER MOD Set 1.2: A 6 HIS : no HE2:sc= -0.264 K(o=-1.3,f=-5!) USER MOD Set 1.3: A 10 LYS NZ :NH3+ -173:sc= -0.875 (180deg=-1.78!) USER MOD Set 1.4: A 13 THR OG1 : rot 69:sc= 1.01 USER MOD Single : A 1 ARG N :NH3+ -164:sc= 3.05 (180deg=2.19) USER MOD Single : A 4 TYR OH : rot 123:sc= 0.796 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.696 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 X(o=0,f=-0.37) USER MOD Single : A 21 SER OG : rot 38:sc= 0.243 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 128:sc= -1.4! (180deg=-4.5!) USER MOD Single : A 25 ASN :FLIP amide:sc= -1.84! C(o=-2.8!,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot -143:sc= 1.15 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0189 USER MOD Single : A 54 SER OG : rot 180:sc= 0.146 USER MOD Single : A 56 LYS NZ :NH3+ 160:sc= -0.923! (180deg=-4.41!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.154 25.058 67.123 1.00 0.00 N ATOM 2 CA ARG A 1 39.694 25.312 66.704 1.00 0.00 C ATOM 3 C ARG A 1 39.648 25.663 65.181 1.00 0.00 C ATOM 4 O ARG A 1 40.702 25.959 64.622 1.00 0.00 O ATOM 5 CB ARG A 1 39.170 26.473 67.569 1.00 0.00 C ATOM 6 CG ARG A 1 37.640 26.652 67.720 1.00 0.00 C ATOM 7 CD ARG A 1 36.761 25.402 67.973 1.00 0.00 C ATOM 8 NE ARG A 1 37.218 24.281 68.824 1.00 0.00 N ATOM 9 CZ ARG A 1 37.834 24.325 69.991 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.115 25.450 70.588 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.140 23.199 70.582 1.00 0.00 N ATOM 0 H1 ARG A 1 41.172 24.569 68.041 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.623 24.468 66.407 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.655 25.966 67.205 1.00 0.00 H new ATOM 0 HA ARG A 1 39.069 24.432 66.856 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.590 26.357 68.568 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.573 27.399 67.159 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.469 27.347 68.542 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.274 27.134 66.814 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.823 25.758 68.399 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.527 24.980 66.996 1.00 0.00 H new ATOM 0 HE ARG A 1 37.032 23.347 68.459 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.858 26.336 70.153 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.592 25.444 71.490 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.903 22.311 70.141 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.616 23.209 71.484 1.00 0.00 H new ATOM 27 N ILE A 2 38.430 25.626 64.495 1.00 0.00 N ATOM 28 CA ILE A 2 38.386 25.910 63.036 1.00 0.00 C ATOM 29 C ILE A 2 38.118 27.444 62.798 1.00 0.00 C ATOM 30 O ILE A 2 37.143 28.023 63.279 1.00 0.00 O ATOM 31 CB ILE A 2 37.321 25.157 62.174 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.280 23.626 62.454 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.497 25.451 60.652 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.411 22.801 61.486 1.00 0.00 C ATOM 0 H ILE A 2 37.529 25.413 64.922 1.00 0.00 H new ATOM 0 HA ILE A 2 39.361 25.553 62.705 1.00 0.00 H new ATOM 0 HB ILE A 2 36.353 25.552 62.482 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.299 23.240 62.420 1.00 0.00 H new ATOM 0 HG13 ILE A 2 36.913 23.469 63.468 1.00 0.00 H new ATOM 0 HG21 ILE A 2 36.738 24.910 60.087 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.388 26.521 60.473 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.488 25.128 60.331 1.00 0.00 H new ATOM 0 HD11 ILE A 2 36.451 21.749 61.768 1.00 0.00 H new ATOM 0 HD12 ILE A 2 35.380 23.151 61.534 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.787 22.919 60.470 1.00 0.00 H new ATOM 46 N CYS A 3 39.018 28.095 61.961 1.00 0.00 N ATOM 47 CA CYS A 3 38.715 29.412 61.397 1.00 0.00 C ATOM 48 C CYS A 3 39.243 29.433 59.912 1.00 0.00 C ATOM 49 O CYS A 3 40.249 28.821 59.563 1.00 0.00 O ATOM 50 CB CYS A 3 39.259 30.654 62.120 1.00 0.00 C ATOM 51 SG CYS A 3 38.539 31.142 63.729 1.00 0.00 S ATOM 0 H CYS A 3 39.924 27.715 61.688 1.00 0.00 H new ATOM 0 HA CYS A 3 37.634 29.506 61.501 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.328 30.502 62.272 1.00 0.00 H new ATOM 0 HB3 CYS A 3 39.150 31.501 61.442 1.00 0.00 H new ATOM 56 N TYR A 4 38.519 30.196 59.006 1.00 0.00 N ATOM 57 CA TYR A 4 38.801 30.103 57.570 1.00 0.00 C ATOM 58 C TYR A 4 40.078 30.886 57.127 1.00 0.00 C ATOM 59 O TYR A 4 40.462 31.875 57.744 1.00 0.00 O ATOM 60 CB TYR A 4 37.644 30.753 56.769 1.00 0.00 C ATOM 61 CG TYR A 4 36.259 30.567 57.367 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.803 29.384 57.945 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.415 31.674 57.414 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.575 29.315 58.585 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.187 31.627 58.040 1.00 0.00 C ATOM 66 CZ TYR A 4 33.751 30.446 58.645 1.00 0.00 C ATOM 67 OH TYR A 4 32.555 30.395 59.308 1.00 0.00 O ATOM 0 H TYR A 4 37.774 30.846 59.259 1.00 0.00 H new ATOM 0 HA TYR A 4 38.932 29.038 57.376 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.842 31.821 56.677 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.645 30.340 55.760 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.421 28.500 57.893 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.731 32.595 56.947 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.254 28.389 59.038 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.560 32.506 58.062 1.00 0.00 H new ATOM 0 HH TYR A 4 32.534 31.089 59.999 1.00 0.00 H new ATOM 77 N ASN A 5 40.665 30.468 55.942 1.00 0.00 N ATOM 78 CA ASN A 5 41.814 31.194 55.372 1.00 0.00 C ATOM 79 C ASN A 5 41.616 31.517 53.853 1.00 0.00 C ATOM 80 O ASN A 5 42.544 32.058 53.252 1.00 0.00 O ATOM 81 CB ASN A 5 43.154 30.471 55.645 1.00 0.00 C ATOM 82 CG ASN A 5 43.259 29.158 54.856 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.338 29.102 53.641 1.00 0.00 O ATOM 84 ND2 ASN A 5 43.304 28.046 55.619 1.00 0.00 N ATOM 0 H ASN A 5 40.357 29.661 55.400 1.00 0.00 H new ATOM 0 HA ASN A 5 41.865 32.152 55.889 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.983 31.126 55.375 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.246 30.264 56.711 1.00 0.00 H new ATOM 0 HD21 ASN A 5 43.406 27.131 55.181 1.00 0.00 H new ATOM 0 HD22 ASN A 5 43.236 28.121 56.634 1.00 0.00 H new ATOM 91 N HIS A 6 40.402 31.254 53.230 1.00 0.00 N ATOM 92 CA HIS A 6 40.084 31.480 51.825 1.00 0.00 C ATOM 93 C HIS A 6 39.949 33.004 51.443 1.00 0.00 C ATOM 94 O HIS A 6 40.435 33.884 52.148 1.00 0.00 O ATOM 95 CB HIS A 6 40.906 30.631 50.785 1.00 0.00 C ATOM 96 CG HIS A 6 42.267 31.191 50.478 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.468 32.411 49.814 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.533 30.757 50.753 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.756 32.725 49.717 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.425 31.706 50.276 1.00 0.00 N ATOM 0 H HIS A 6 39.612 30.864 53.745 1.00 0.00 H new ATOM 0 HA HIS A 6 39.081 31.063 51.732 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.020 29.617 51.168 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.336 30.560 49.858 1.00 0.00 H new ATOM 0 HD1 HIS A 6 41.712 32.990 49.448 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.794 29.836 51.254 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.177 33.617 49.278 1.00 0.00 H new ATOM 109 N LEU A 7 39.229 33.299 50.291 1.00 0.00 N ATOM 110 CA LEU A 7 38.929 34.668 49.868 1.00 0.00 C ATOM 111 C LEU A 7 40.192 35.451 49.339 1.00 0.00 C ATOM 112 O LEU A 7 41.283 34.897 49.224 1.00 0.00 O ATOM 113 CB LEU A 7 38.117 35.499 50.895 1.00 0.00 C ATOM 114 CG LEU A 7 36.753 34.955 51.395 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.813 33.929 52.540 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.910 36.146 51.888 1.00 0.00 C ATOM 0 H LEU A 7 38.861 32.585 49.663 1.00 0.00 H new ATOM 0 HA LEU A 7 38.262 34.534 49.016 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.750 35.651 51.769 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.938 36.481 50.456 1.00 0.00 H new ATOM 0 HG LEU A 7 36.326 34.429 50.541 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.802 33.620 52.805 1.00 0.00 H new ATOM 0 HD12 LEU A 7 37.386 33.059 52.219 1.00 0.00 H new ATOM 0 HD13 LEU A 7 37.294 34.380 53.408 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.945 35.786 52.245 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.432 36.650 52.701 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.755 36.847 51.067 1.00 0.00 H new ATOM 128 N GLY A 8 39.983 36.752 48.901 1.00 0.00 N ATOM 129 CA GLY A 8 41.069 37.555 48.321 1.00 0.00 C ATOM 130 C GLY A 8 41.243 37.319 46.808 1.00 0.00 C ATOM 131 O GLY A 8 41.448 38.255 46.039 1.00 0.00 O ATOM 0 H GLY A 8 39.084 37.231 48.949 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.868 38.612 48.499 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.003 37.318 48.831 1.00 0.00 H new ATOM 135 N THR A 9 41.255 35.997 46.417 1.00 0.00 N ATOM 136 CA THR A 9 41.552 35.570 45.063 1.00 0.00 C ATOM 137 C THR A 9 41.288 34.050 44.999 1.00 0.00 C ATOM 138 O THR A 9 40.597 33.569 44.104 1.00 0.00 O ATOM 139 CB THR A 9 43.025 35.801 44.577 1.00 0.00 C ATOM 140 OG1 THR A 9 43.227 37.136 44.104 1.00 0.00 O ATOM 141 CG2 THR A 9 43.481 34.876 43.436 1.00 0.00 C ATOM 0 H THR A 9 41.055 35.226 47.054 1.00 0.00 H new ATOM 0 HA THR A 9 40.922 36.177 44.412 1.00 0.00 H new ATOM 0 HB THR A 9 43.612 35.585 45.470 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.689 37.757 44.638 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.511 35.110 43.168 1.00 0.00 H new ATOM 0 HG22 THR A 9 43.417 33.838 43.762 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.838 35.024 42.569 1.00 0.00 H new ATOM 149 N LYS A 10 41.901 33.280 45.980 1.00 0.00 N ATOM 150 CA LYS A 10 41.898 31.809 45.839 1.00 0.00 C ATOM 151 C LYS A 10 40.554 31.217 46.400 1.00 0.00 C ATOM 152 O LYS A 10 40.063 31.629 47.452 1.00 0.00 O ATOM 153 CB LYS A 10 43.108 31.105 46.524 1.00 0.00 C ATOM 154 CG LYS A 10 43.585 29.745 45.938 1.00 0.00 C ATOM 155 CD LYS A 10 42.916 28.438 46.432 1.00 0.00 C ATOM 156 CE LYS A 10 43.126 28.159 47.925 1.00 0.00 C ATOM 157 NZ LYS A 10 42.192 27.053 48.422 1.00 0.00 N ATOM 0 H LYS A 10 42.366 33.644 46.812 1.00 0.00 H new ATOM 0 HA LYS A 10 41.990 31.609 44.771 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.953 31.794 46.501 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.854 30.947 47.572 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.459 29.791 44.856 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.654 29.661 46.131 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.846 28.490 46.229 1.00 0.00 H new ATOM 0 HD3 LYS A 10 43.310 27.600 45.857 1.00 0.00 H new ATOM 0 HE2 LYS A 10 44.162 27.869 48.101 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.949 29.071 48.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.273 26.969 49.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.211 27.288 48.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 42.457 26.150 47.979 1.00 0.00 H new ATOM 171 N PRO A 11 39.997 30.142 45.705 1.00 0.00 N ATOM 172 CA PRO A 11 38.783 29.458 46.185 1.00 0.00 C ATOM 173 C PRO A 11 38.905 28.943 47.660 1.00 0.00 C ATOM 174 O PRO A 11 39.991 28.606 48.138 1.00 0.00 O ATOM 175 CB PRO A 11 38.622 28.271 45.221 1.00 0.00 C ATOM 176 CG PRO A 11 39.060 28.899 43.889 1.00 0.00 C ATOM 177 CD PRO A 11 40.257 29.761 44.310 1.00 0.00 C ATOM 0 HA PRO A 11 37.931 30.138 46.197 1.00 0.00 H new ATOM 0 HB2 PRO A 11 39.250 27.426 45.502 1.00 0.00 H new ATOM 0 HB3 PRO A 11 37.595 27.907 45.185 1.00 0.00 H new ATOM 0 HG2 PRO A 11 39.342 28.143 43.156 1.00 0.00 H new ATOM 0 HG3 PRO A 11 38.266 29.497 43.441 1.00 0.00 H new ATOM 0 HD2 PRO A 11 41.191 29.205 44.223 1.00 0.00 H new ATOM 0 HD3 PRO A 11 40.349 30.641 43.674 1.00 0.00 H new ATOM 185 N PRO A 12 37.721 28.829 48.378 1.00 0.00 N ATOM 186 CA PRO A 12 37.683 28.416 49.796 1.00 0.00 C ATOM 187 C PRO A 12 38.567 27.184 50.170 1.00 0.00 C ATOM 188 O PRO A 12 38.634 26.159 49.498 1.00 0.00 O ATOM 189 CB PRO A 12 36.205 28.097 50.069 1.00 0.00 C ATOM 190 CG PRO A 12 35.518 29.176 49.225 1.00 0.00 C ATOM 191 CD PRO A 12 36.350 29.116 47.939 1.00 0.00 C ATOM 0 HA PRO A 12 38.098 29.220 50.404 1.00 0.00 H new ATOM 0 HB2 PRO A 12 35.934 27.090 49.752 1.00 0.00 H new ATOM 0 HB3 PRO A 12 35.953 28.177 51.127 1.00 0.00 H new ATOM 0 HG2 PRO A 12 34.466 28.952 49.046 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.559 30.157 49.697 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.981 28.340 47.268 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.301 30.059 47.394 1.00 0.00 H new ATOM 199 N THR A 13 39.246 27.343 51.361 1.00 0.00 N ATOM 200 CA THR A 13 40.106 26.347 52.004 1.00 0.00 C ATOM 201 C THR A 13 40.153 26.872 53.479 1.00 0.00 C ATOM 202 O THR A 13 40.502 28.019 53.764 1.00 0.00 O ATOM 203 CB THR A 13 41.548 26.024 51.511 1.00 0.00 C ATOM 204 OG1 THR A 13 42.362 27.150 51.171 1.00 0.00 O ATOM 205 CG2 THR A 13 41.564 24.990 50.373 1.00 0.00 C ATOM 0 H THR A 13 39.190 28.209 51.897 1.00 0.00 H new ATOM 0 HA THR A 13 39.663 25.376 51.780 1.00 0.00 H new ATOM 0 HB THR A 13 42.012 25.592 52.398 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.584 27.650 51.984 1.00 0.00 H new ATOM 0 HG21 THR A 13 42.593 24.801 50.067 1.00 0.00 H new ATOM 0 HG22 THR A 13 41.112 24.061 50.720 1.00 0.00 H new ATOM 0 HG23 THR A 13 40.998 25.374 49.524 1.00 0.00 H new ATOM 213 N THR A 14 39.768 25.977 54.459 1.00 0.00 N ATOM 214 CA THR A 14 39.540 26.389 55.852 1.00 0.00 C ATOM 215 C THR A 14 40.458 25.590 56.813 1.00 0.00 C ATOM 216 O THR A 14 40.771 24.419 56.607 1.00 0.00 O ATOM 217 CB THR A 14 38.049 26.306 56.186 1.00 0.00 C ATOM 218 OG1 THR A 14 37.482 24.993 56.166 1.00 0.00 O ATOM 219 CG2 THR A 14 37.253 27.164 55.164 1.00 0.00 C ATOM 0 H THR A 14 39.617 24.983 54.288 1.00 0.00 H new ATOM 0 HA THR A 14 39.820 27.434 55.986 1.00 0.00 H new ATOM 0 HB THR A 14 37.973 26.665 57.212 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.530 25.044 56.393 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.189 27.111 55.395 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.585 28.200 55.222 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.426 26.784 54.157 1.00 0.00 H new ATOM 227 N GLU A 15 40.922 26.305 57.906 1.00 0.00 N ATOM 228 CA GLU A 15 42.028 25.777 58.721 1.00 0.00 C ATOM 229 C GLU A 15 41.428 25.060 59.965 1.00 0.00 C ATOM 230 O GLU A 15 41.025 25.691 60.941 1.00 0.00 O ATOM 231 CB GLU A 15 43.038 26.863 59.137 1.00 0.00 C ATOM 232 CG GLU A 15 44.241 26.366 59.957 1.00 0.00 C ATOM 233 CD GLU A 15 45.143 25.405 59.198 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.366 25.424 58.002 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.702 24.520 60.022 1.00 0.00 O ATOM 0 H GLU A 15 40.551 27.205 58.211 1.00 0.00 H new ATOM 0 HA GLU A 15 42.593 25.069 58.115 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.411 27.353 58.237 1.00 0.00 H new ATOM 0 HB3 GLU A 15 42.512 27.621 59.718 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.830 27.225 60.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.876 25.873 60.858 1.00 0.00 H new ATOM 243 N THR A 16 41.390 23.669 59.912 1.00 0.00 N ATOM 244 CA THR A 16 41.057 22.869 61.105 1.00 0.00 C ATOM 245 C THR A 16 42.400 22.916 61.891 1.00 0.00 C ATOM 246 O THR A 16 43.371 22.236 61.555 1.00 0.00 O ATOM 247 CB THR A 16 40.611 21.394 60.894 1.00 0.00 C ATOM 248 OG1 THR A 16 39.316 21.399 60.289 1.00 0.00 O ATOM 249 CG2 THR A 16 40.585 20.585 62.204 1.00 0.00 C ATOM 0 H THR A 16 41.583 23.122 59.073 1.00 0.00 H new ATOM 0 HA THR A 16 40.173 23.283 61.590 1.00 0.00 H new ATOM 0 HB THR A 16 41.340 20.905 60.248 1.00 0.00 H new ATOM 0 HG1 THR A 16 39.018 20.476 60.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 40.266 19.564 61.995 1.00 0.00 H new ATOM 0 HG22 THR A 16 41.583 20.571 62.643 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.887 21.047 62.903 1.00 0.00 H new ATOM 257 N CYS A 17 42.436 23.730 63.012 1.00 0.00 N ATOM 258 CA CYS A 17 43.714 24.009 63.679 1.00 0.00 C ATOM 259 C CYS A 17 43.721 23.451 65.131 1.00 0.00 C ATOM 260 O CYS A 17 42.707 23.402 65.828 1.00 0.00 O ATOM 261 CB CYS A 17 43.936 25.512 63.713 1.00 0.00 C ATOM 262 SG CYS A 17 45.685 25.988 63.642 1.00 0.00 S ATOM 0 H CYS A 17 41.620 24.173 63.435 1.00 0.00 H new ATOM 0 HA CYS A 17 44.513 23.520 63.122 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.409 25.968 62.875 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.495 25.916 64.624 1.00 0.00 H new ATOM 267 N GLN A 18 44.963 23.073 65.606 1.00 0.00 N ATOM 268 CA GLN A 18 45.114 22.553 66.964 1.00 0.00 C ATOM 269 C GLN A 18 44.950 23.693 68.004 1.00 0.00 C ATOM 270 O GLN A 18 44.503 23.454 69.123 1.00 0.00 O ATOM 271 CB GLN A 18 46.481 21.886 67.214 1.00 0.00 C ATOM 272 CG GLN A 18 46.807 20.727 66.245 1.00 0.00 C ATOM 273 CD GLN A 18 47.973 19.859 66.707 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.692 20.117 67.654 1.00 0.00 O ATOM 275 NE2 GLN A 18 48.149 18.747 65.960 1.00 0.00 N ATOM 0 H GLN A 18 45.828 23.127 65.068 1.00 0.00 H new ATOM 0 HA GLN A 18 44.336 21.798 67.075 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.262 22.642 67.134 1.00 0.00 H new ATOM 0 HB3 GLN A 18 46.507 21.508 68.236 1.00 0.00 H new ATOM 0 HG2 GLN A 18 45.922 20.101 66.128 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.038 21.139 65.263 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.529 18.559 65.172 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.902 18.096 66.184 1.00 0.00 H new ATOM 284 N GLU A 19 45.369 24.957 67.623 1.00 0.00 N ATOM 285 CA GLU A 19 45.386 26.102 68.524 1.00 0.00 C ATOM 286 C GLU A 19 43.917 26.391 69.011 1.00 0.00 C ATOM 287 O GLU A 19 42.965 26.561 68.249 1.00 0.00 O ATOM 288 CB GLU A 19 45.984 27.331 67.808 1.00 0.00 C ATOM 289 CG GLU A 19 47.521 27.289 67.612 1.00 0.00 C ATOM 290 CD GLU A 19 47.980 26.190 66.661 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.864 26.213 65.446 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.572 25.185 67.297 1.00 0.00 O ATOM 0 H GLU A 19 45.696 25.174 66.681 1.00 0.00 H new ATOM 0 HA GLU A 19 46.010 25.884 69.390 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.511 27.430 66.831 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.729 28.225 68.378 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.858 28.253 67.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.000 27.144 68.581 1.00 0.00 H new ATOM 300 N ASP A 20 43.825 26.513 70.388 1.00 0.00 N ATOM 301 CA ASP A 20 42.656 26.747 71.236 1.00 0.00 C ATOM 302 C ASP A 20 41.805 27.970 70.754 1.00 0.00 C ATOM 303 O ASP A 20 40.580 28.002 70.879 1.00 0.00 O ATOM 304 CB ASP A 20 41.905 25.520 71.769 1.00 0.00 C ATOM 305 CG ASP A 20 41.141 24.520 70.879 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.132 24.665 69.657 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.569 23.658 71.562 1.00 0.00 O ATOM 0 H ASP A 20 44.668 26.438 70.958 1.00 0.00 H new ATOM 0 HA ASP A 20 43.071 27.064 72.193 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.637 24.934 72.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.182 25.897 72.492 1.00 0.00 H new ATOM 312 N SER A 21 42.542 29.056 70.316 1.00 0.00 N ATOM 313 CA SER A 21 41.994 30.362 69.956 1.00 0.00 C ATOM 314 C SER A 21 42.289 30.636 68.449 1.00 0.00 C ATOM 315 O SER A 21 43.382 30.428 67.915 1.00 0.00 O ATOM 316 CB SER A 21 42.591 31.506 70.813 1.00 0.00 C ATOM 317 OG SER A 21 42.173 32.827 70.478 1.00 0.00 O ATOM 0 H SER A 21 43.556 29.014 70.212 1.00 0.00 H new ATOM 0 HA SER A 21 40.921 30.339 70.144 1.00 0.00 H new ATOM 0 HB2 SER A 21 42.337 31.321 71.857 1.00 0.00 H new ATOM 0 HB3 SER A 21 43.677 31.461 70.736 1.00 0.00 H new ATOM 0 HG SER A 21 41.227 32.816 70.223 1.00 0.00 H new ATOM 323 N CYS A 22 41.216 31.148 67.743 1.00 0.00 N ATOM 324 CA CYS A 22 41.355 31.531 66.354 1.00 0.00 C ATOM 325 C CYS A 22 40.588 32.855 66.101 1.00 0.00 C ATOM 326 O CYS A 22 39.559 33.166 66.701 1.00 0.00 O ATOM 327 CB CYS A 22 40.991 30.402 65.365 1.00 0.00 C ATOM 328 SG CYS A 22 39.269 29.859 65.128 1.00 0.00 S ATOM 0 H CYS A 22 40.284 31.288 68.134 1.00 0.00 H new ATOM 0 HA CYS A 22 42.411 31.712 66.155 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.364 30.706 64.387 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.561 29.523 65.665 1.00 0.00 H new ATOM 333 N TYR A 23 41.181 33.672 65.162 1.00 0.00 N ATOM 334 CA TYR A 23 40.829 35.085 65.037 1.00 0.00 C ATOM 335 C TYR A 23 40.334 35.544 63.649 1.00 0.00 C ATOM 336 O TYR A 23 40.542 34.878 62.635 1.00 0.00 O ATOM 337 CB TYR A 23 42.115 35.907 65.372 1.00 0.00 C ATOM 338 CG TYR A 23 43.209 35.656 64.351 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.213 36.312 63.121 1.00 0.00 C ATOM 340 CD2 TYR A 23 44.242 34.752 64.593 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.223 36.141 62.189 1.00 0.00 C ATOM 342 CE2 TYR A 23 45.263 34.560 63.674 1.00 0.00 C ATOM 343 CZ TYR A 23 45.280 35.270 62.460 1.00 0.00 C ATOM 344 OH TYR A 23 46.316 35.077 61.596 1.00 0.00 O ATOM 0 H TYR A 23 41.892 33.356 64.502 1.00 0.00 H new ATOM 0 HA TYR A 23 39.990 35.247 65.714 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.874 36.970 65.397 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.473 35.638 66.366 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.397 36.979 62.886 1.00 0.00 H new ATOM 0 HD2 TYR A 23 44.248 34.190 65.515 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.193 36.681 61.254 1.00 0.00 H new ATOM 0 HE2 TYR A 23 46.054 33.858 63.893 1.00 0.00 H new ATOM 0 HH TYR A 23 46.945 34.430 61.979 1.00 0.00 H new ATOM 354 N LYS A 24 39.709 36.782 63.667 1.00 0.00 N ATOM 355 CA LYS A 24 39.146 37.417 62.472 1.00 0.00 C ATOM 356 C LYS A 24 39.994 38.689 62.109 1.00 0.00 C ATOM 357 O LYS A 24 40.280 39.575 62.912 1.00 0.00 O ATOM 358 CB LYS A 24 37.662 37.786 62.654 1.00 0.00 C ATOM 359 CG LYS A 24 36.811 36.632 63.234 1.00 0.00 C ATOM 360 CD LYS A 24 35.352 36.539 62.752 1.00 0.00 C ATOM 361 CE LYS A 24 34.677 35.352 63.452 1.00 0.00 C ATOM 362 NZ LYS A 24 33.439 34.819 62.735 1.00 0.00 N ATOM 0 H LYS A 24 39.598 37.337 64.515 1.00 0.00 H new ATOM 0 HA LYS A 24 39.192 36.699 61.653 1.00 0.00 H new ATOM 0 HB2 LYS A 24 37.588 38.650 63.314 1.00 0.00 H new ATOM 0 HB3 LYS A 24 37.248 38.085 61.691 1.00 0.00 H new ATOM 0 HG2 LYS A 24 37.308 35.691 62.998 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.805 36.726 64.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.820 37.463 62.978 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.319 36.408 61.670 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.402 34.544 63.550 1.00 0.00 H new ATOM 0 HE3 LYS A 24 34.396 35.653 64.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.531 33.792 62.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.594 35.019 63.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.348 35.282 61.808 1.00 0.00 H new ATOM 376 N ASN A 25 40.378 38.743 60.789 1.00 0.00 N ATOM 377 CA ASN A 25 41.203 39.774 60.142 1.00 0.00 C ATOM 378 C ASN A 25 40.309 40.236 58.931 1.00 0.00 C ATOM 379 O ASN A 25 40.006 39.454 58.030 1.00 0.00 O ATOM 380 CB ASN A 25 42.538 39.194 59.727 1.00 0.00 C ATOM 381 CG ASN A 25 43.521 40.240 59.261 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.209 40.812 58.083 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 44.509 40.559 59.893 1.00 0.00 N flip ATOM 0 H ASN A 25 40.094 38.019 60.129 1.00 0.00 H new ATOM 0 HA ASN A 25 41.465 40.615 60.784 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.968 38.650 60.568 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.380 38.471 58.927 1.00 0.00 H new ATOM 0 HD21 ASN A 25 44.714 40.104 60.783 1.00 0.00 H new ATOM 0 HD22 ASN A 25 45.133 41.282 59.534 1.00 0.00 H new ATOM 390 N ILE A 26 39.917 41.579 58.918 1.00 0.00 N ATOM 391 CA ILE A 26 38.664 41.955 58.187 1.00 0.00 C ATOM 392 C ILE A 26 38.693 43.225 57.257 1.00 0.00 C ATOM 393 O ILE A 26 37.780 43.453 56.465 1.00 0.00 O ATOM 394 CB ILE A 26 37.569 42.136 59.263 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.641 43.444 60.102 1.00 0.00 C ATOM 396 CG2 ILE A 26 37.501 40.891 60.177 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.855 43.667 61.023 1.00 0.00 C ATOM 0 H ILE A 26 40.415 42.346 59.370 1.00 0.00 H new ATOM 0 HA ILE A 26 38.489 41.148 57.476 1.00 0.00 H new ATOM 0 HB ILE A 26 36.643 42.242 58.697 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.593 44.284 59.409 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.744 43.490 60.720 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.725 41.034 60.929 1.00 0.00 H new ATOM 0 HG22 ILE A 26 37.267 40.012 59.577 1.00 0.00 H new ATOM 0 HG23 ILE A 26 38.463 40.749 60.670 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.752 44.623 61.536 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.906 42.864 61.759 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.768 43.671 60.427 1.00 0.00 H new ATOM 409 N TRP A 27 39.767 44.060 57.410 1.00 0.00 N ATOM 410 CA TRP A 27 40.207 45.283 56.732 1.00 0.00 C ATOM 411 C TRP A 27 40.974 44.825 55.420 1.00 0.00 C ATOM 412 O TRP A 27 40.370 44.407 54.438 1.00 0.00 O ATOM 413 CB TRP A 27 41.124 46.100 57.730 1.00 0.00 C ATOM 414 CG TRP A 27 41.866 45.231 58.723 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.247 43.875 58.521 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.110 45.442 60.078 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.553 43.232 59.681 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.519 44.230 60.642 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.902 46.540 60.951 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.752 44.023 61.961 1.00 0.00 C ATOM 421 CZ3 TRP A 27 42.134 46.369 62.307 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.567 45.124 62.809 1.00 0.00 C ATOM 0 H TRP A 27 40.443 43.832 58.139 1.00 0.00 H new ATOM 0 HA TRP A 27 39.384 45.937 56.444 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.847 46.678 57.155 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.507 46.814 58.275 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.289 43.405 57.549 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.760 42.242 59.813 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.569 47.493 60.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 43.064 43.061 62.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.982 47.196 62.985 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.760 45.017 63.866 1.00 0.00 H new ATOM 433 N THR A 28 42.363 44.920 55.425 1.00 0.00 N ATOM 434 CA THR A 28 43.249 44.465 54.349 1.00 0.00 C ATOM 435 C THR A 28 43.282 45.450 53.124 1.00 0.00 C ATOM 436 O THR A 28 42.395 46.274 52.920 1.00 0.00 O ATOM 437 CB THR A 28 43.046 43.011 53.819 1.00 0.00 C ATOM 438 OG1 THR A 28 44.242 42.546 53.194 1.00 0.00 O ATOM 439 CG2 THR A 28 42.522 41.939 54.785 1.00 0.00 C ATOM 0 H THR A 28 42.874 45.328 56.208 1.00 0.00 H new ATOM 0 HA THR A 28 44.208 44.458 54.867 1.00 0.00 H new ATOM 0 HB THR A 28 42.220 43.133 53.119 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.012 42.002 52.412 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.438 40.987 54.261 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.213 41.833 55.621 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.542 42.235 55.160 1.00 0.00 H new ATOM 447 N PHE A 29 44.370 45.305 52.271 1.00 0.00 N ATOM 448 CA PHE A 29 44.492 46.113 51.060 1.00 0.00 C ATOM 449 C PHE A 29 43.396 45.679 50.041 1.00 0.00 C ATOM 450 O PHE A 29 42.727 46.524 49.447 1.00 0.00 O ATOM 451 CB PHE A 29 45.882 46.050 50.420 1.00 0.00 C ATOM 452 CG PHE A 29 46.037 47.146 49.386 1.00 0.00 C ATOM 453 CD1 PHE A 29 46.039 48.490 49.775 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.187 46.855 48.028 1.00 0.00 C ATOM 455 CE1 PHE A 29 46.160 49.518 48.841 1.00 0.00 C ATOM 456 CE2 PHE A 29 46.320 47.872 47.081 1.00 0.00 C ATOM 457 CZ PHE A 29 46.302 49.212 47.483 1.00 0.00 C ATOM 0 H PHE A 29 45.135 44.648 52.423 1.00 0.00 H new ATOM 0 HA PHE A 29 44.348 47.154 51.350 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.648 46.155 51.188 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.030 45.077 49.953 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.945 48.737 50.822 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.200 45.825 47.705 1.00 0.00 H new ATOM 0 HE1 PHE A 29 46.144 50.548 49.165 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.437 47.624 46.036 1.00 0.00 H new ATOM 0 HZ PHE A 29 46.397 50.002 46.753 1.00 0.00 H new ATOM 467 N ASP A 30 43.227 44.319 49.853 1.00 0.00 N ATOM 468 CA ASP A 30 42.225 43.704 48.997 1.00 0.00 C ATOM 469 C ASP A 30 40.752 43.926 49.520 1.00 0.00 C ATOM 470 O ASP A 30 39.839 43.583 48.766 1.00 0.00 O ATOM 471 CB ASP A 30 42.540 42.218 48.705 1.00 0.00 C ATOM 472 CG ASP A 30 43.006 41.234 49.814 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.396 41.697 50.887 1.00 0.00 O ATOM 474 OD2 ASP A 30 42.982 40.046 49.464 1.00 0.00 O ATOM 0 H ASP A 30 43.818 43.632 50.321 1.00 0.00 H new ATOM 0 HA ASP A 30 42.278 44.224 48.040 1.00 0.00 H new ATOM 0 HB2 ASP A 30 41.641 41.789 48.264 1.00 0.00 H new ATOM 0 HB3 ASP A 30 43.310 42.207 47.934 1.00 0.00 H new ATOM 479 N ASN A 31 40.459 44.521 50.750 1.00 0.00 N ATOM 480 CA ASN A 31 39.099 44.812 51.224 1.00 0.00 C ATOM 481 C ASN A 31 38.394 43.437 51.432 1.00 0.00 C ATOM 482 O ASN A 31 37.453 43.111 50.708 1.00 0.00 O ATOM 483 CB ASN A 31 38.322 45.826 50.376 1.00 0.00 C ATOM 484 CG ASN A 31 38.606 47.233 50.878 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.911 47.791 51.707 1.00 0.00 O ATOM 486 ND2 ASN A 31 39.706 47.816 50.356 1.00 0.00 N ATOM 0 H ASN A 31 41.183 44.798 51.413 1.00 0.00 H new ATOM 0 HA ASN A 31 39.142 45.347 52.173 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.611 45.737 49.329 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.253 45.618 50.430 1.00 0.00 H new ATOM 0 HD21 ASN A 31 39.977 48.753 50.655 1.00 0.00 H new ATOM 0 HD22 ASN A 31 40.266 47.320 49.663 1.00 0.00 H new ATOM 493 N ILE A 32 38.817 42.651 52.507 1.00 0.00 N ATOM 494 CA ILE A 32 38.268 41.303 52.603 1.00 0.00 C ATOM 495 C ILE A 32 38.436 40.618 54.008 1.00 0.00 C ATOM 496 O ILE A 32 39.284 40.994 54.813 1.00 0.00 O ATOM 497 CB ILE A 32 38.919 40.370 51.532 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.023 39.227 51.012 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.291 39.851 52.018 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.816 39.703 50.185 1.00 0.00 C ATOM 0 H ILE A 32 39.475 42.928 53.235 1.00 0.00 H new ATOM 0 HA ILE A 32 37.199 41.432 52.434 1.00 0.00 H new ATOM 0 HB ILE A 32 39.064 41.003 50.657 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.627 38.556 50.401 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.662 38.647 51.862 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.726 39.204 51.256 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.956 40.695 52.199 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.160 39.287 52.942 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.237 38.840 49.857 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.188 40.350 50.797 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.167 40.257 49.314 1.00 0.00 H new ATOM 512 N ILE A 33 37.599 39.534 54.257 1.00 0.00 N ATOM 513 CA ILE A 33 37.679 38.743 55.507 1.00 0.00 C ATOM 514 C ILE A 33 38.550 37.480 55.164 1.00 0.00 C ATOM 515 O ILE A 33 38.073 36.480 54.636 1.00 0.00 O ATOM 516 CB ILE A 33 36.339 38.375 56.168 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.457 39.635 56.424 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.552 37.550 57.458 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.272 39.446 57.388 1.00 0.00 C ATOM 0 H ILE A 33 36.882 39.213 53.606 1.00 0.00 H new ATOM 0 HA ILE A 33 38.132 39.364 56.280 1.00 0.00 H new ATOM 0 HB ILE A 33 35.794 37.743 55.467 1.00 0.00 H new ATOM 0 HG12 ILE A 33 36.095 40.427 56.816 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.069 39.983 55.467 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.585 37.308 57.899 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.082 36.629 57.217 1.00 0.00 H new ATOM 0 HG23 ILE A 33 37.139 38.131 58.169 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.732 40.387 57.489 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.601 38.683 56.994 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.643 39.134 58.364 1.00 0.00 H new ATOM 531 N ARG A 34 39.894 37.542 55.490 1.00 0.00 N ATOM 532 CA ARG A 34 40.847 36.451 55.216 1.00 0.00 C ATOM 533 C ARG A 34 41.738 36.433 56.488 1.00 0.00 C ATOM 534 O ARG A 34 42.498 37.348 56.799 1.00 0.00 O ATOM 535 CB ARG A 34 41.673 36.617 53.941 1.00 0.00 C ATOM 536 CG ARG A 34 42.819 35.597 53.799 1.00 0.00 C ATOM 537 CD ARG A 34 43.480 35.595 52.408 1.00 0.00 C ATOM 538 NE ARG A 34 44.243 36.766 51.919 1.00 0.00 N ATOM 539 CZ ARG A 34 44.350 37.969 52.461 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.632 38.125 53.727 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.199 39.019 51.704 1.00 0.00 N ATOM 0 H ARG A 34 40.319 38.350 55.944 1.00 0.00 H new ATOM 0 HA ARG A 34 40.323 35.514 55.025 1.00 0.00 H new ATOM 0 HB2 ARG A 34 41.013 36.528 53.078 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.091 37.623 53.920 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.578 35.810 54.551 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.433 34.599 54.009 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.155 34.740 52.378 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.691 35.403 51.681 1.00 0.00 H new ATOM 0 HE ARG A 34 44.755 36.627 51.048 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.775 37.309 54.322 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.709 39.063 54.121 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.001 38.907 50.710 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.278 39.953 52.106 1.00 0.00 H new ATOM 555 N ARG A 35 41.594 35.291 57.255 1.00 0.00 N ATOM 556 CA ARG A 35 42.011 35.233 58.645 1.00 0.00 C ATOM 557 C ARG A 35 42.639 33.864 59.017 1.00 0.00 C ATOM 558 O ARG A 35 43.181 33.167 58.157 1.00 0.00 O ATOM 559 CB ARG A 35 40.813 35.767 59.472 1.00 0.00 C ATOM 560 CG ARG A 35 39.372 35.189 59.312 1.00 0.00 C ATOM 561 CD ARG A 35 39.067 33.854 60.046 1.00 0.00 C ATOM 562 NE ARG A 35 37.921 33.824 61.006 1.00 0.00 N ATOM 563 CZ ARG A 35 36.650 33.653 60.666 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.126 34.247 59.631 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.897 32.855 61.378 1.00 0.00 N ATOM 0 H ARG A 35 41.191 34.422 56.904 1.00 0.00 H new ATOM 0 HA ARG A 35 42.858 35.877 58.883 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.082 35.654 60.522 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.746 36.837 59.273 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.664 35.939 59.664 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.180 35.044 58.249 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.888 33.091 59.289 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.965 33.560 60.589 1.00 0.00 H new ATOM 0 HE ARG A 35 38.132 33.944 61.997 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.697 34.865 59.055 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.145 34.094 59.397 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.288 32.371 62.186 1.00 0.00 H new ATOM 0 HH22 ARG A 35 34.919 32.717 61.125 1.00 0.00 H new ATOM 579 N GLY A 36 42.668 33.544 60.367 1.00 0.00 N ATOM 580 CA GLY A 36 43.382 32.302 60.667 1.00 0.00 C ATOM 581 C GLY A 36 43.369 31.816 62.119 1.00 0.00 C ATOM 582 O GLY A 36 42.670 32.355 62.970 1.00 0.00 O ATOM 0 H GLY A 36 42.260 34.063 61.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.962 31.513 60.044 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.421 32.429 60.363 1.00 0.00 H new ATOM 586 N CYS A 37 44.174 30.717 62.357 1.00 0.00 N ATOM 587 CA CYS A 37 44.339 30.154 63.701 1.00 0.00 C ATOM 588 C CYS A 37 45.670 30.688 64.316 1.00 0.00 C ATOM 589 O CYS A 37 46.746 30.624 63.722 1.00 0.00 O ATOM 590 CB CYS A 37 44.301 28.606 63.742 1.00 0.00 C ATOM 591 SG CYS A 37 45.541 27.806 62.677 1.00 0.00 S ATOM 0 H CYS A 37 44.699 30.230 61.631 1.00 0.00 H new ATOM 0 HA CYS A 37 43.484 30.480 64.293 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.453 28.276 64.770 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.309 28.269 63.443 1.00 0.00 H new ATOM 596 N GLY A 38 45.566 31.304 65.558 1.00 0.00 N ATOM 597 CA GLY A 38 46.791 31.791 66.186 1.00 0.00 C ATOM 598 C GLY A 38 46.366 32.102 67.629 1.00 0.00 C ATOM 599 O GLY A 38 46.373 31.264 68.525 1.00 0.00 O ATOM 0 H GLY A 38 44.703 31.451 66.081 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.582 31.041 66.155 1.00 0.00 H new ATOM 0 HA3 GLY A 38 47.173 32.678 65.682 1.00 0.00 H new ATOM 603 N CYS A 39 45.920 33.398 67.807 1.00 0.00 N ATOM 604 CA CYS A 39 45.315 33.853 69.046 1.00 0.00 C ATOM 605 C CYS A 39 46.303 34.150 70.204 1.00 0.00 C ATOM 606 O CYS A 39 47.502 34.347 70.024 1.00 0.00 O ATOM 607 CB CYS A 39 44.436 35.077 68.703 1.00 0.00 C ATOM 608 SG CYS A 39 43.751 36.014 70.100 1.00 0.00 S ATOM 0 H CYS A 39 45.984 34.119 67.088 1.00 0.00 H new ATOM 0 HA CYS A 39 44.721 33.032 69.448 1.00 0.00 H new ATOM 0 HB2 CYS A 39 45.028 35.760 68.094 1.00 0.00 H new ATOM 0 HB3 CYS A 39 43.606 34.736 68.084 1.00 0.00 H new ATOM 613 N PHE A 40 45.696 34.189 71.444 1.00 0.00 N ATOM 614 CA PHE A 40 46.416 34.397 72.696 1.00 0.00 C ATOM 615 C PHE A 40 47.163 35.782 72.629 1.00 0.00 C ATOM 616 O PHE A 40 48.240 35.933 73.201 1.00 0.00 O ATOM 617 CB PHE A 40 47.301 33.196 73.126 1.00 0.00 C ATOM 618 CG PHE A 40 46.649 31.850 72.819 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.539 31.362 73.519 1.00 0.00 C ATOM 620 CD2 PHE A 40 47.123 31.083 71.746 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.918 30.167 73.152 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.520 29.885 71.371 1.00 0.00 C ATOM 623 CZ PHE A 40 45.414 29.419 72.081 1.00 0.00 C ATOM 0 H PHE A 40 44.690 34.074 71.571 1.00 0.00 H new ATOM 0 HA PHE A 40 45.695 34.445 73.512 1.00 0.00 H new ATOM 0 HB2 PHE A 40 48.262 33.256 72.615 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.504 33.263 74.195 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.156 31.921 74.360 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.983 31.432 71.193 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.053 29.820 73.697 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.907 29.320 70.535 1.00 0.00 H new ATOM 0 HZ PHE A 40 44.944 28.487 71.805 1.00 0.00 H new ATOM 633 N THR A 41 46.513 36.830 71.989 1.00 0.00 N ATOM 634 CA THR A 41 47.081 38.187 71.824 1.00 0.00 C ATOM 635 C THR A 41 46.131 39.141 72.637 1.00 0.00 C ATOM 636 O THR A 41 45.004 39.404 72.216 1.00 0.00 O ATOM 637 CB THR A 41 47.293 38.727 70.385 1.00 0.00 C ATOM 638 OG1 THR A 41 47.865 40.035 70.372 1.00 0.00 O ATOM 639 CG2 THR A 41 48.063 37.776 69.452 1.00 0.00 C ATOM 0 H THR A 41 45.583 36.733 71.582 1.00 0.00 H new ATOM 0 HA THR A 41 48.108 38.141 72.185 1.00 0.00 H new ATOM 0 HB THR A 41 46.286 38.793 69.974 1.00 0.00 H new ATOM 0 HG1 THR A 41 47.981 40.332 69.445 1.00 0.00 H new ATOM 0 HG21 THR A 41 48.164 38.234 68.468 1.00 0.00 H new ATOM 0 HG22 THR A 41 49.053 37.582 69.866 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.518 36.836 69.360 1.00 0.00 H new ATOM 647 N PRO A 42 46.621 39.726 73.812 1.00 0.00 N ATOM 648 CA PRO A 42 45.797 40.642 74.632 1.00 0.00 C ATOM 649 C PRO A 42 45.903 42.044 73.945 1.00 0.00 C ATOM 650 O PRO A 42 46.676 42.909 74.352 1.00 0.00 O ATOM 651 CB PRO A 42 46.382 40.564 76.062 1.00 0.00 C ATOM 652 CG PRO A 42 47.827 40.095 75.835 1.00 0.00 C ATOM 653 CD PRO A 42 47.680 39.146 74.644 1.00 0.00 C ATOM 0 HA PRO A 42 44.736 40.402 74.705 1.00 0.00 H new ATOM 0 HB2 PRO A 42 46.348 41.532 76.562 1.00 0.00 H new ATOM 0 HB3 PRO A 42 45.826 39.863 76.685 1.00 0.00 H new ATOM 0 HG2 PRO A 42 48.494 40.928 75.611 1.00 0.00 H new ATOM 0 HG3 PRO A 42 48.232 39.588 76.711 1.00 0.00 H new ATOM 0 HD2 PRO A 42 48.615 39.064 74.089 1.00 0.00 H new ATOM 0 HD3 PRO A 42 47.415 38.141 74.973 1.00 0.00 H new ATOM 661 N ARG A 43 45.044 42.270 72.876 1.00 0.00 N ATOM 662 CA ARG A 43 45.063 43.551 72.157 1.00 0.00 C ATOM 663 C ARG A 43 44.157 44.577 72.917 1.00 0.00 C ATOM 664 O ARG A 43 43.005 44.322 73.261 1.00 0.00 O ATOM 665 CB ARG A 43 44.640 43.444 70.660 1.00 0.00 C ATOM 666 CG ARG A 43 43.221 42.944 70.259 1.00 0.00 C ATOM 667 CD ARG A 43 42.068 43.976 70.167 1.00 0.00 C ATOM 668 NE ARG A 43 42.195 45.160 69.271 1.00 0.00 N ATOM 669 CZ ARG A 43 42.428 45.182 67.967 1.00 0.00 C ATOM 670 NH1 ARG A 43 42.554 44.086 67.276 1.00 0.00 N ATOM 671 NH2 ARG A 43 42.517 46.331 67.352 1.00 0.00 N ATOM 0 H ARG A 43 44.366 41.592 72.527 1.00 0.00 H new ATOM 0 HA ARG A 43 46.098 43.893 72.139 1.00 0.00 H new ATOM 0 HB2 ARG A 43 44.765 44.434 70.222 1.00 0.00 H new ATOM 0 HB3 ARG A 43 45.359 42.787 70.172 1.00 0.00 H new ATOM 0 HG2 ARG A 43 43.305 42.454 69.289 1.00 0.00 H new ATOM 0 HG3 ARG A 43 42.924 42.180 70.977 1.00 0.00 H new ATOM 0 HD2 ARG A 43 41.172 43.434 69.863 1.00 0.00 H new ATOM 0 HD3 ARG A 43 41.887 44.350 71.175 1.00 0.00 H new ATOM 0 HE ARG A 43 42.089 46.070 69.719 1.00 0.00 H new ATOM 0 HH11 ARG A 43 42.474 43.180 67.738 1.00 0.00 H new ATOM 0 HH12 ARG A 43 42.733 44.133 66.273 1.00 0.00 H new ATOM 0 HH21 ARG A 43 42.407 47.200 67.876 1.00 0.00 H new ATOM 0 HH22 ARG A 43 42.696 46.360 66.348 1.00 0.00 H new ATOM 685 N GLY A 44 44.736 45.818 73.175 1.00 0.00 N ATOM 686 CA GLY A 44 43.911 46.978 73.548 1.00 0.00 C ATOM 687 C GLY A 44 43.545 47.541 72.157 1.00 0.00 C ATOM 688 O GLY A 44 42.475 47.260 71.620 1.00 0.00 O ATOM 0 H GLY A 44 45.737 46.006 73.126 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.030 46.690 74.121 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.462 47.699 74.152 1.00 0.00 H new ATOM 692 N ASP A 45 44.529 48.303 71.538 1.00 0.00 N ATOM 693 CA ASP A 45 44.392 48.657 70.121 1.00 0.00 C ATOM 694 C ASP A 45 45.798 48.550 69.414 1.00 0.00 C ATOM 695 O ASP A 45 46.127 49.295 68.494 1.00 0.00 O ATOM 696 CB ASP A 45 43.618 49.969 69.862 1.00 0.00 C ATOM 697 CG ASP A 45 42.762 49.963 68.563 1.00 0.00 C ATOM 698 OD1 ASP A 45 42.379 48.853 68.175 1.00 0.00 O ATOM 699 OD2 ASP A 45 42.520 51.076 68.094 1.00 0.00 O ATOM 0 H ASP A 45 45.371 48.653 71.996 1.00 0.00 H new ATOM 0 HA ASP A 45 43.737 47.926 69.647 1.00 0.00 H new ATOM 0 HB2 ASP A 45 42.965 50.165 70.712 1.00 0.00 H new ATOM 0 HB3 ASP A 45 44.330 50.793 69.810 1.00 0.00 H new ATOM 704 N MET A 46 46.623 47.517 69.848 1.00 0.00 N ATOM 705 CA MET A 46 47.911 47.173 69.233 1.00 0.00 C ATOM 706 C MET A 46 47.721 46.496 67.827 1.00 0.00 C ATOM 707 O MET A 46 46.614 46.080 67.491 1.00 0.00 O ATOM 708 CB MET A 46 48.592 46.094 70.121 1.00 0.00 C ATOM 709 CG MET A 46 49.053 46.553 71.522 1.00 0.00 C ATOM 710 SD MET A 46 49.517 45.129 72.545 1.00 0.00 S ATOM 711 CE MET A 46 50.231 46.021 73.940 1.00 0.00 C ATOM 0 H MET A 46 46.383 46.918 70.638 1.00 0.00 H new ATOM 0 HA MET A 46 48.489 48.092 69.134 1.00 0.00 H new ATOM 0 HB2 MET A 46 47.897 45.264 70.244 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.459 45.707 69.585 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.902 47.230 71.427 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.253 47.111 72.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 50.579 45.308 74.688 1.00 0.00 H new ATOM 0 HE2 MET A 46 51.071 46.624 73.595 1.00 0.00 H new ATOM 0 HE3 MET A 46 49.475 46.670 74.382 1.00 0.00 H new ATOM 721 N PRO A 47 48.868 46.277 67.056 1.00 0.00 N ATOM 722 CA PRO A 47 48.775 45.504 65.803 1.00 0.00 C ATOM 723 C PRO A 47 48.293 44.057 66.182 1.00 0.00 C ATOM 724 O PRO A 47 49.000 43.257 66.793 1.00 0.00 O ATOM 725 CB PRO A 47 50.186 45.527 65.195 1.00 0.00 C ATOM 726 CG PRO A 47 50.690 46.907 65.641 1.00 0.00 C ATOM 727 CD PRO A 47 50.142 47.007 67.074 1.00 0.00 C ATOM 0 HA PRO A 47 48.069 45.904 65.075 1.00 0.00 H new ATOM 0 HB2 PRO A 47 50.810 44.719 65.577 1.00 0.00 H new ATOM 0 HB3 PRO A 47 50.166 45.429 64.110 1.00 0.00 H new ATOM 0 HG2 PRO A 47 51.778 46.970 65.616 1.00 0.00 H new ATOM 0 HG3 PRO A 47 50.309 47.705 65.003 1.00 0.00 H new ATOM 0 HD2 PRO A 47 50.836 46.569 67.791 1.00 0.00 H new ATOM 0 HD3 PRO A 47 49.995 48.047 67.367 1.00 0.00 H new ATOM 735 N GLY A 48 47.013 43.713 65.769 1.00 0.00 N ATOM 736 CA GLY A 48 46.463 42.408 66.100 1.00 0.00 C ATOM 737 C GLY A 48 45.050 42.254 65.468 1.00 0.00 C ATOM 738 O GLY A 48 44.335 43.228 65.232 1.00 0.00 O ATOM 0 H GLY A 48 46.394 44.319 65.230 1.00 0.00 H new ATOM 0 HA2 GLY A 48 47.123 41.622 65.733 1.00 0.00 H new ATOM 0 HA3 GLY A 48 46.402 42.293 67.182 1.00 0.00 H new ATOM 742 N PRO A 49 44.635 40.957 65.238 1.00 0.00 N ATOM 743 CA PRO A 49 43.263 40.651 64.829 1.00 0.00 C ATOM 744 C PRO A 49 42.308 40.768 66.068 1.00 0.00 C ATOM 745 O PRO A 49 42.725 41.119 67.173 1.00 0.00 O ATOM 746 CB PRO A 49 43.377 39.161 64.473 1.00 0.00 C ATOM 747 CG PRO A 49 44.319 38.649 65.572 1.00 0.00 C ATOM 748 CD PRO A 49 45.391 39.732 65.520 1.00 0.00 C ATOM 0 HA PRO A 49 42.883 41.299 64.039 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.410 38.659 64.497 1.00 0.00 H new ATOM 0 HB3 PRO A 49 43.790 39.009 63.476 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.832 38.590 66.545 1.00 0.00 H new ATOM 0 HG3 PRO A 49 44.716 37.658 65.353 1.00 0.00 H new ATOM 0 HD2 PRO A 49 45.933 39.804 66.463 1.00 0.00 H new ATOM 0 HD3 PRO A 49 46.128 39.529 64.743 1.00 0.00 H new ATOM 756 N TYR A 50 40.980 40.458 65.846 1.00 0.00 N ATOM 757 CA TYR A 50 40.007 40.421 66.961 1.00 0.00 C ATOM 758 C TYR A 50 39.674 38.891 67.131 1.00 0.00 C ATOM 759 O TYR A 50 39.284 38.216 66.177 1.00 0.00 O ATOM 760 CB TYR A 50 38.754 41.350 66.818 1.00 0.00 C ATOM 761 CG TYR A 50 37.700 40.900 65.833 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.712 39.992 66.212 1.00 0.00 C ATOM 763 CD2 TYR A 50 37.618 41.442 64.555 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.672 39.647 65.365 1.00 0.00 C ATOM 765 CE2 TYR A 50 36.568 41.137 63.701 1.00 0.00 C ATOM 766 CZ TYR A 50 35.563 40.250 64.098 1.00 0.00 C ATOM 767 OH TYR A 50 34.494 39.942 63.309 1.00 0.00 O ATOM 0 H TYR A 50 40.587 40.240 64.930 1.00 0.00 H new ATOM 0 HA TYR A 50 40.440 40.854 67.863 1.00 0.00 H new ATOM 0 HB2 TYR A 50 38.287 41.449 67.798 1.00 0.00 H new ATOM 0 HB3 TYR A 50 39.095 42.343 66.525 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.759 39.545 67.194 1.00 0.00 H new ATOM 0 HD2 TYR A 50 38.391 42.117 64.219 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.943 38.914 65.677 1.00 0.00 H new ATOM 0 HE2 TYR A 50 36.527 41.589 62.721 1.00 0.00 H new ATOM 0 HH TYR A 50 34.557 40.437 62.466 1.00 0.00 H new ATOM 777 N CYS A 51 39.840 38.309 68.392 1.00 0.00 N ATOM 778 CA CYS A 51 39.838 36.834 68.519 1.00 0.00 C ATOM 779 C CYS A 51 38.658 36.218 69.336 1.00 0.00 C ATOM 780 O CYS A 51 38.079 36.823 70.232 1.00 0.00 O ATOM 781 CB CYS A 51 41.113 36.336 69.239 1.00 0.00 C ATOM 782 SG CYS A 51 42.643 37.242 68.868 1.00 0.00 S ATOM 0 H CYS A 51 39.967 38.824 69.263 1.00 0.00 H new ATOM 0 HA CYS A 51 39.757 36.512 67.481 1.00 0.00 H new ATOM 0 HB2 CYS A 51 40.940 36.380 70.314 1.00 0.00 H new ATOM 0 HB3 CYS A 51 41.264 35.287 68.983 1.00 0.00 H new ATOM 787 N CYS A 52 38.400 34.901 69.009 1.00 0.00 N ATOM 788 CA CYS A 52 37.416 34.055 69.681 1.00 0.00 C ATOM 789 C CYS A 52 38.081 32.738 70.209 1.00 0.00 C ATOM 790 O CYS A 52 39.183 32.370 69.803 1.00 0.00 O ATOM 791 CB CYS A 52 36.292 33.696 68.718 1.00 0.00 C ATOM 792 SG CYS A 52 34.763 33.189 69.561 1.00 0.00 S ATOM 0 H CYS A 52 38.892 34.419 68.257 1.00 0.00 H new ATOM 0 HA CYS A 52 37.013 34.612 70.527 1.00 0.00 H new ATOM 0 HB2 CYS A 52 36.080 34.554 68.080 1.00 0.00 H new ATOM 0 HB3 CYS A 52 36.625 32.889 68.066 1.00 0.00 H new ATOM 797 N GLU A 53 37.343 32.007 71.119 1.00 0.00 N ATOM 798 CA GLU A 53 37.806 30.700 71.616 1.00 0.00 C ATOM 799 C GLU A 53 36.680 29.648 71.362 1.00 0.00 C ATOM 800 O GLU A 53 36.397 28.804 72.208 1.00 0.00 O ATOM 801 CB GLU A 53 38.387 30.785 73.047 1.00 0.00 C ATOM 802 CG GLU A 53 37.494 31.377 74.163 1.00 0.00 C ATOM 803 CD GLU A 53 38.340 31.736 75.389 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.347 32.421 75.377 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.825 31.238 76.510 1.00 0.00 O ATOM 0 H GLU A 53 36.448 32.311 71.502 1.00 0.00 H new ATOM 0 HA GLU A 53 38.673 30.347 71.057 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.676 29.778 73.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 39.300 31.378 73.001 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.981 32.265 73.794 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.724 30.657 74.442 1.00 0.00 H new ATOM 813 N SER A 54 36.082 29.680 70.105 1.00 0.00 N ATOM 814 CA SER A 54 35.042 28.730 69.724 1.00 0.00 C ATOM 815 C SER A 54 34.972 28.549 68.160 1.00 0.00 C ATOM 816 O SER A 54 35.670 29.212 67.397 1.00 0.00 O ATOM 817 CB SER A 54 33.623 29.019 70.300 1.00 0.00 C ATOM 818 OG SER A 54 32.861 27.812 70.328 1.00 0.00 O ATOM 0 H SER A 54 36.323 30.354 69.378 1.00 0.00 H new ATOM 0 HA SER A 54 35.355 27.797 70.192 1.00 0.00 H new ATOM 0 HB2 SER A 54 33.705 29.432 71.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.117 29.766 69.689 1.00 0.00 H new ATOM 0 HG SER A 54 31.970 27.996 70.692 1.00 0.00 H new ATOM 824 N ASP A 55 34.113 27.552 67.733 1.00 0.00 N ATOM 825 CA ASP A 55 33.998 27.074 66.349 1.00 0.00 C ATOM 826 C ASP A 55 33.312 28.213 65.501 1.00 0.00 C ATOM 827 O ASP A 55 32.141 28.542 65.679 1.00 0.00 O ATOM 828 CB ASP A 55 33.189 25.759 66.374 1.00 0.00 C ATOM 829 CG ASP A 55 33.113 25.027 65.020 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.165 24.946 64.375 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.000 24.598 64.700 1.00 0.00 O ATOM 0 H ASP A 55 33.483 27.068 68.372 1.00 0.00 H new ATOM 0 HA ASP A 55 34.962 26.859 65.888 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.633 25.089 67.110 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.176 25.977 66.712 1.00 0.00 H new ATOM 836 N LYS A 56 34.104 28.851 64.543 1.00 0.00 N ATOM 837 CA LYS A 56 33.680 29.897 63.611 1.00 0.00 C ATOM 838 C LYS A 56 33.485 31.278 64.316 1.00 0.00 C ATOM 839 O LYS A 56 34.076 32.270 63.887 1.00 0.00 O ATOM 840 CB LYS A 56 32.479 29.593 62.685 1.00 0.00 C ATOM 841 CG LYS A 56 32.704 28.390 61.737 1.00 0.00 C ATOM 842 CD LYS A 56 32.345 27.038 62.364 1.00 0.00 C ATOM 843 CE LYS A 56 32.581 25.810 61.478 1.00 0.00 C ATOM 844 NZ LYS A 56 32.538 24.569 62.383 1.00 0.00 N ATOM 0 H LYS A 56 35.089 28.613 64.426 1.00 0.00 H new ATOM 0 HA LYS A 56 34.531 29.935 62.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.600 29.399 63.299 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.261 30.478 62.087 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.108 28.532 60.835 1.00 0.00 H new ATOM 0 HG3 LYS A 56 33.749 28.372 61.429 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.923 26.918 63.280 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.294 27.059 62.651 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.818 25.745 60.703 1.00 0.00 H new ATOM 0 HE3 LYS A 56 33.544 25.882 60.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 32.355 23.724 61.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.450 24.464 62.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.780 24.678 63.086 1.00 0.00 H new ATOM 858 N CYS A 57 32.583 31.331 65.353 1.00 0.00 N ATOM 859 CA CYS A 57 32.184 32.502 66.125 1.00 0.00 C ATOM 860 C CYS A 57 31.553 33.530 65.130 1.00 0.00 C ATOM 861 O CYS A 57 32.005 34.670 65.036 1.00 0.00 O ATOM 862 CB CYS A 57 33.214 33.138 67.081 1.00 0.00 C ATOM 863 SG CYS A 57 33.989 31.903 68.157 1.00 0.00 S ATOM 0 H CYS A 57 32.100 30.490 65.670 1.00 0.00 H new ATOM 0 HA CYS A 57 31.462 32.144 66.858 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.983 33.647 66.500 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.723 33.895 67.692 1.00 0.00 H new ATOM 868 N ASN A 58 30.434 33.109 64.424 1.00 0.00 N ATOM 869 CA ASN A 58 29.600 34.015 63.622 1.00 0.00 C ATOM 870 C ASN A 58 30.417 34.374 62.341 1.00 0.00 C ATOM 871 O ASN A 58 30.976 35.465 62.234 1.00 0.00 O ATOM 872 CB ASN A 58 29.080 35.234 64.411 1.00 0.00 C ATOM 873 CG ASN A 58 28.364 34.782 65.679 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.213 34.385 65.684 1.00 0.00 O ATOM 875 ND2 ASN A 58 29.107 34.847 66.808 1.00 0.00 N ATOM 0 H ASN A 58 30.113 32.141 64.413 1.00 0.00 H new ATOM 0 HA ASN A 58 28.674 33.519 63.331 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.912 35.889 64.670 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.399 35.814 63.789 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.706 34.558 67.700 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.069 35.185 66.767 1.00 0.00 H new ATOM 882 N LEU A 59 30.482 33.396 61.360 1.00 0.00 N ATOM 883 CA LEU A 59 31.166 33.551 60.054 1.00 0.00 C ATOM 884 C LEU A 59 32.716 33.607 60.405 1.00 0.00 C ATOM 885 O LEU A 59 33.341 34.651 60.189 1.00 0.00 O ATOM 886 CB LEU A 59 30.590 34.701 59.184 1.00 0.00 C ATOM 887 CG LEU A 59 30.253 34.407 57.698 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.194 35.425 57.232 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.467 34.487 56.756 1.00 0.00 C ATOM 890 OXT LEU A 59 33.174 32.578 60.922 1.00 0.00 O ATOM 0 H LEU A 59 30.051 32.479 61.476 1.00 0.00 H new ATOM 0 HA LEU A 59 30.988 32.714 59.379 1.00 0.00 H new ATOM 0 HB2 LEU A 59 29.680 35.058 59.666 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.305 35.523 59.205 1.00 0.00 H new ATOM 0 HG LEU A 59 29.890 33.380 57.649 1.00 0.00 H new ATOM 0 HD11 LEU A 59 28.942 35.236 56.188 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.298 35.325 57.845 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.591 36.435 57.332 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.151 34.269 55.736 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.894 35.489 56.798 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.217 33.760 57.066 1.00 0.00 H new TER 902 LEU A 59