USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 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 50 TYR OH : rot -31:sc= 0.54 USER MOD Set 1.2: A 58 ASN : amide:sc= 0.45 K(o=0.99,f=-0.33) USER MOD Set 2.1: A 5 ASN : amide:sc= 0.606 K(o=0.31,f=-1.6) USER MOD Set 2.2: A 6 HIS : no HD1:sc= -0.969 K(o=0.31,f=-1.8!) USER MOD Set 2.3: A 13 THR OG1 : rot 77:sc= 0.67 USER MOD Single : A 1 ARG N :NH3+ -171:sc= 1.25 (180deg=1.1) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0319 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -138:sc= 2.19 (180deg=0.38) 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) USER MOD Single : A 21 SER OG : rot -98:sc= 1.15 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= 1.04! (180deg=-0.641!) USER MOD Single : A 25 ASN : amide:sc= -4.85! C(o=-4.9!,f=-6.9!) USER MOD Single : A 28 THR OG1 : rot 120:sc= 0.297 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.015) 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 54 SER OG : rot -5:sc= 1.4 USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 2.07 (180deg=1.76) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 39.282 21.806 66.428 1.00 0.00 N ATOM 2 CA ARG A 1 38.264 22.926 66.141 1.00 0.00 C ATOM 3 C ARG A 1 38.544 23.356 64.670 1.00 0.00 C ATOM 4 O ARG A 1 39.603 22.976 64.180 1.00 0.00 O ATOM 5 CB ARG A 1 38.535 24.079 67.134 1.00 0.00 C ATOM 6 CG ARG A 1 37.385 25.086 67.304 1.00 0.00 C ATOM 7 CD ARG A 1 37.723 26.396 68.059 1.00 0.00 C ATOM 8 NE ARG A 1 37.716 26.366 69.554 1.00 0.00 N ATOM 9 CZ ARG A 1 38.667 25.921 70.362 1.00 0.00 C ATOM 10 NH1 ARG A 1 39.774 25.404 69.909 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.479 25.973 71.655 1.00 0.00 N ATOM 0 H1 ARG A 1 39.060 21.360 67.341 1.00 0.00 H new ATOM 0 H2 ARG A 1 39.234 21.092 65.673 1.00 0.00 H new ATOM 0 H3 ARG A 1 40.240 22.209 66.463 1.00 0.00 H new ATOM 0 HA ARG A 1 37.223 22.624 66.259 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.767 23.650 68.109 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.423 24.619 66.804 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.012 25.349 66.314 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.570 24.589 67.830 1.00 0.00 H new ATOM 0 HD2 ARG A 1 38.712 26.722 67.736 1.00 0.00 H new ATOM 0 HD3 ARG A 1 37.015 27.159 67.737 1.00 0.00 H new ATOM 0 HE ARG A 1 36.878 26.732 70.006 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.929 25.332 68.903 1.00 0.00 H new ATOM 0 HH12 ARG A 1 40.485 25.071 70.560 1.00 0.00 H new ATOM 0 HH21 ARG A 1 37.609 26.352 72.029 1.00 0.00 H new ATOM 0 HH22 ARG A 1 39.202 25.634 72.290 1.00 0.00 H new ATOM 27 N ILE A 2 37.646 24.135 63.955 1.00 0.00 N ATOM 28 CA ILE A 2 37.957 24.546 62.564 1.00 0.00 C ATOM 29 C ILE A 2 37.544 26.052 62.380 1.00 0.00 C ATOM 30 O ILE A 2 36.480 26.509 62.799 1.00 0.00 O ATOM 31 CB ILE A 2 37.314 23.736 61.400 1.00 0.00 C ATOM 32 CG1 ILE A 2 37.702 22.232 61.370 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.673 24.322 60.005 1.00 0.00 C ATOM 34 CD1 ILE A 2 36.996 21.301 62.369 1.00 0.00 C ATOM 0 H ILE A 2 36.751 24.466 64.314 1.00 0.00 H new ATOM 0 HA ILE A 2 39.026 24.352 62.476 1.00 0.00 H new ATOM 0 HB ILE A 2 36.246 23.821 61.602 1.00 0.00 H new ATOM 0 HG12 ILE A 2 37.512 21.855 60.365 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.776 22.157 61.541 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.201 23.723 59.226 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.315 25.350 59.939 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.755 24.305 59.871 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.362 20.283 62.238 1.00 0.00 H new ATOM 0 HD12 ILE A 2 37.204 21.633 63.386 1.00 0.00 H new ATOM 0 HD13 ILE A 2 35.921 21.326 62.192 1.00 0.00 H new ATOM 46 N CYS A 3 38.462 26.832 61.693 1.00 0.00 N ATOM 47 CA CYS A 3 38.175 28.202 61.274 1.00 0.00 C ATOM 48 C CYS A 3 38.853 28.381 59.865 1.00 0.00 C ATOM 49 O CYS A 3 39.971 27.921 59.624 1.00 0.00 O ATOM 50 CB CYS A 3 38.686 29.304 62.220 1.00 0.00 C ATOM 51 SG CYS A 3 38.332 28.911 63.969 1.00 0.00 S ATOM 0 H CYS A 3 39.394 26.507 61.434 1.00 0.00 H new ATOM 0 HA CYS A 3 37.092 28.324 61.267 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.760 29.430 62.086 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.219 30.253 61.959 1.00 0.00 H new ATOM 56 N TYR A 4 38.166 29.100 58.899 1.00 0.00 N ATOM 57 CA TYR A 4 38.698 29.136 57.525 1.00 0.00 C ATOM 58 C TYR A 4 39.787 30.234 57.339 1.00 0.00 C ATOM 59 O TYR A 4 39.923 31.129 58.166 1.00 0.00 O ATOM 60 CB TYR A 4 37.540 29.389 56.527 1.00 0.00 C ATOM 61 CG TYR A 4 36.281 28.632 56.926 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.322 27.308 57.368 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.059 29.292 57.010 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.207 26.667 57.873 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.924 28.666 57.503 1.00 0.00 C ATOM 66 CZ TYR A 4 33.968 27.330 57.910 1.00 0.00 C ATOM 67 OH TYR A 4 32.866 26.647 58.332 1.00 0.00 O ATOM 0 H TYR A 4 37.303 29.621 59.053 1.00 0.00 H new ATOM 0 HA TYR A 4 39.166 28.171 57.332 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.324 30.457 56.482 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.847 29.083 55.527 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.255 26.768 57.313 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.993 30.319 56.683 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.288 25.654 58.240 1.00 0.00 H new ATOM 0 HE2 TYR A 4 32.997 29.216 57.573 1.00 0.00 H new ATOM 0 HH TYR A 4 32.084 27.238 58.304 1.00 0.00 H new ATOM 77 N ASN A 5 40.561 30.163 56.193 1.00 0.00 N ATOM 78 CA ASN A 5 41.559 31.211 55.924 1.00 0.00 C ATOM 79 C ASN A 5 41.615 31.519 54.394 1.00 0.00 C ATOM 80 O ASN A 5 42.657 31.912 53.876 1.00 0.00 O ATOM 81 CB ASN A 5 42.958 30.915 56.520 1.00 0.00 C ATOM 82 CG ASN A 5 43.689 29.800 55.774 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.165 28.768 55.396 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.005 30.040 55.584 1.00 0.00 N ATOM 0 H ASN A 5 40.502 29.425 55.492 1.00 0.00 H new ATOM 0 HA ASN A 5 41.228 32.108 56.448 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.561 31.823 56.491 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.851 30.637 57.568 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.587 29.347 55.113 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.417 30.914 55.912 1.00 0.00 H new ATOM 91 N HIS A 6 40.426 31.399 53.690 1.00 0.00 N ATOM 92 CA HIS A 6 40.235 31.549 52.251 1.00 0.00 C ATOM 93 C HIS A 6 40.024 33.009 51.740 1.00 0.00 C ATOM 94 O HIS A 6 40.186 33.960 52.493 1.00 0.00 O ATOM 95 CB HIS A 6 41.198 30.712 51.335 1.00 0.00 C ATOM 96 CG HIS A 6 42.537 31.311 50.936 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.801 32.679 50.767 1.00 0.00 N ATOM 98 CD2 HIS A 6 43.714 30.700 50.606 1.00 0.00 C ATOM 99 CE1 HIS A 6 44.054 32.896 50.379 1.00 0.00 C ATOM 100 NE2 HIS A 6 44.628 31.688 50.281 1.00 0.00 N ATOM 0 H HIS A 6 39.551 31.184 54.167 1.00 0.00 H new ATOM 0 HA HIS A 6 39.263 31.071 52.130 1.00 0.00 H new ATOM 0 HB2 HIS A 6 41.397 29.768 51.842 1.00 0.00 H new ATOM 0 HB3 HIS A 6 40.657 30.474 50.419 1.00 0.00 H new ATOM 0 HD2 HIS A 6 43.898 29.636 50.600 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.516 33.852 50.182 1.00 0.00 H new ATOM 0 HE2 HIS A 6 45.596 31.521 50.007 1.00 0.00 H new ATOM 109 N LEU A 7 39.636 33.136 50.412 1.00 0.00 N ATOM 110 CA LEU A 7 39.250 34.395 49.769 1.00 0.00 C ATOM 111 C LEU A 7 40.434 35.310 49.275 1.00 0.00 C ATOM 112 O LEU A 7 41.606 34.952 49.335 1.00 0.00 O ATOM 113 CB LEU A 7 38.195 35.156 50.602 1.00 0.00 C ATOM 114 CG LEU A 7 36.880 34.405 50.908 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.123 35.132 52.029 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.017 34.323 49.642 1.00 0.00 C ATOM 0 H LEU A 7 39.593 32.338 49.778 1.00 0.00 H new ATOM 0 HA LEU A 7 38.782 34.093 48.832 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.652 35.443 51.549 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.946 36.078 50.076 1.00 0.00 H new ATOM 0 HG LEU A 7 37.109 33.391 51.236 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.195 34.602 52.245 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.741 35.161 52.926 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.894 36.150 51.713 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.092 33.792 49.866 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.783 35.330 49.295 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.562 33.789 48.864 1.00 0.00 H new ATOM 128 N GLY A 8 40.038 36.488 48.653 1.00 0.00 N ATOM 129 CA GLY A 8 40.973 37.431 48.038 1.00 0.00 C ATOM 130 C GLY A 8 41.327 37.081 46.554 1.00 0.00 C ATOM 131 O GLY A 8 42.399 37.489 46.111 1.00 0.00 O ATOM 0 H GLY A 8 39.063 36.778 48.582 1.00 0.00 H new ATOM 0 HA2 GLY A 8 40.543 38.432 48.074 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.891 37.456 48.626 1.00 0.00 H new ATOM 135 N THR A 9 40.408 36.378 45.777 1.00 0.00 N ATOM 136 CA THR A 9 40.542 35.829 44.395 1.00 0.00 C ATOM 137 C THR A 9 41.157 34.406 44.486 1.00 0.00 C ATOM 138 O THR A 9 40.780 33.495 43.752 1.00 0.00 O ATOM 139 CB THR A 9 41.393 36.661 43.406 1.00 0.00 C ATOM 140 OG1 THR A 9 40.885 37.978 43.182 1.00 0.00 O ATOM 141 CG2 THR A 9 41.565 36.040 42.012 1.00 0.00 C ATOM 0 H THR A 9 39.482 36.174 46.153 1.00 0.00 H new ATOM 0 HA THR A 9 39.531 35.842 43.988 1.00 0.00 H new ATOM 0 HB THR A 9 42.353 36.686 43.921 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.467 38.450 42.551 1.00 0.00 H new ATOM 0 HG21 THR A 9 42.176 36.698 41.394 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.054 35.070 42.104 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.587 35.911 41.548 1.00 0.00 H new ATOM 149 N LYS A 10 42.171 34.250 45.414 1.00 0.00 N ATOM 150 CA LYS A 10 42.863 32.975 45.609 1.00 0.00 C ATOM 151 C LYS A 10 41.806 31.934 46.154 1.00 0.00 C ATOM 152 O LYS A 10 40.980 32.237 47.016 1.00 0.00 O ATOM 153 CB LYS A 10 44.036 33.027 46.621 1.00 0.00 C ATOM 154 CG LYS A 10 45.251 33.939 46.290 1.00 0.00 C ATOM 155 CD LYS A 10 44.837 35.419 46.184 1.00 0.00 C ATOM 156 CE LYS A 10 45.885 36.511 46.392 1.00 0.00 C ATOM 157 NZ LYS A 10 45.111 37.847 46.465 1.00 0.00 N ATOM 0 H LYS A 10 42.503 35.001 46.019 1.00 0.00 H new ATOM 0 HA LYS A 10 43.292 32.701 44.645 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.633 33.345 47.582 1.00 0.00 H new ATOM 0 HB3 LYS A 10 44.408 32.011 46.752 1.00 0.00 H new ATOM 0 HG2 LYS A 10 46.011 33.828 47.063 1.00 0.00 H new ATOM 0 HG3 LYS A 10 45.702 33.619 45.351 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.404 35.567 45.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.041 35.588 46.909 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.450 36.338 47.308 1.00 0.00 H new ATOM 0 HE3 LYS A 10 46.603 36.522 45.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.622 38.574 45.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 44.161 37.720 46.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 45.029 38.147 47.457 1.00 0.00 H new ATOM 171 N PRO A 11 41.927 30.633 45.674 1.00 0.00 N ATOM 172 CA PRO A 11 40.993 29.556 46.021 1.00 0.00 C ATOM 173 C PRO A 11 40.736 29.262 47.530 1.00 0.00 C ATOM 174 O PRO A 11 41.586 29.527 48.378 1.00 0.00 O ATOM 175 CB PRO A 11 41.725 28.309 45.496 1.00 0.00 C ATOM 176 CG PRO A 11 42.285 28.799 44.158 1.00 0.00 C ATOM 177 CD PRO A 11 42.700 30.240 44.488 1.00 0.00 C ATOM 0 HA PRO A 11 40.017 29.829 45.619 1.00 0.00 H new ATOM 0 HB2 PRO A 11 42.515 27.986 46.174 1.00 0.00 H new ATOM 0 HB3 PRO A 11 41.049 27.464 45.369 1.00 0.00 H new ATOM 0 HG2 PRO A 11 43.131 28.198 43.826 1.00 0.00 H new ATOM 0 HG3 PRO A 11 41.537 28.762 43.366 1.00 0.00 H new ATOM 0 HD2 PRO A 11 43.770 30.301 44.685 1.00 0.00 H new ATOM 0 HD3 PRO A 11 42.492 30.906 43.650 1.00 0.00 H new ATOM 185 N PRO A 12 39.576 28.547 47.826 1.00 0.00 N ATOM 186 CA PRO A 12 39.249 28.180 49.213 1.00 0.00 C ATOM 187 C PRO A 12 40.295 27.214 49.868 1.00 0.00 C ATOM 188 O PRO A 12 40.855 26.320 49.239 1.00 0.00 O ATOM 189 CB PRO A 12 37.872 27.500 49.129 1.00 0.00 C ATOM 190 CG PRO A 12 37.204 28.328 48.024 1.00 0.00 C ATOM 191 CD PRO A 12 38.351 28.481 47.017 1.00 0.00 C ATOM 0 HA PRO A 12 39.255 29.066 49.848 1.00 0.00 H new ATOM 0 HB2 PRO A 12 37.948 26.445 48.865 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.327 27.554 50.071 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.344 27.816 47.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.850 29.291 48.391 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.382 27.639 46.326 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.228 29.382 46.416 1.00 0.00 H new ATOM 199 N THR A 13 40.506 27.420 51.220 1.00 0.00 N ATOM 200 CA THR A 13 41.436 26.640 52.049 1.00 0.00 C ATOM 201 C THR A 13 40.981 26.843 53.536 1.00 0.00 C ATOM 202 O THR A 13 40.549 27.933 53.923 1.00 0.00 O ATOM 203 CB THR A 13 42.959 26.967 52.062 1.00 0.00 C ATOM 204 OG1 THR A 13 43.292 28.273 52.542 1.00 0.00 O ATOM 205 CG2 THR A 13 43.694 26.782 50.725 1.00 0.00 C ATOM 0 H THR A 13 40.018 28.146 51.745 1.00 0.00 H new ATOM 0 HA THR A 13 41.373 25.648 51.601 1.00 0.00 H new ATOM 0 HB THR A 13 43.305 26.211 52.767 1.00 0.00 H new ATOM 0 HG1 THR A 13 43.220 28.291 53.519 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.746 27.038 50.850 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.608 25.744 50.403 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.249 27.433 49.972 1.00 0.00 H new ATOM 213 N THR A 14 41.164 25.779 54.404 1.00 0.00 N ATOM 214 CA THR A 14 40.670 25.840 55.782 1.00 0.00 C ATOM 215 C THR A 14 41.695 25.236 56.787 1.00 0.00 C ATOM 216 O THR A 14 42.424 24.293 56.485 1.00 0.00 O ATOM 217 CB THR A 14 39.312 25.142 55.907 1.00 0.00 C ATOM 218 OG1 THR A 14 39.317 23.737 55.636 1.00 0.00 O ATOM 219 CG2 THR A 14 38.287 25.784 54.943 1.00 0.00 C ATOM 0 H THR A 14 41.637 24.910 54.157 1.00 0.00 H new ATOM 0 HA THR A 14 40.541 26.892 56.036 1.00 0.00 H new ATOM 0 HB THR A 14 39.046 25.272 56.956 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.410 23.380 55.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.327 25.278 55.043 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.168 26.839 55.189 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.643 25.688 53.917 1.00 0.00 H new ATOM 227 N GLU A 15 41.708 25.816 58.046 1.00 0.00 N ATOM 228 CA GLU A 15 42.740 25.477 59.048 1.00 0.00 C ATOM 229 C GLU A 15 42.086 24.684 60.226 1.00 0.00 C ATOM 230 O GLU A 15 41.146 25.134 60.882 1.00 0.00 O ATOM 231 CB GLU A 15 43.445 26.724 59.627 1.00 0.00 C ATOM 232 CG GLU A 15 44.042 27.679 58.567 1.00 0.00 C ATOM 233 CD GLU A 15 44.918 28.749 59.215 1.00 0.00 C ATOM 234 OE1 GLU A 15 44.628 29.409 60.192 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.066 28.902 58.554 1.00 0.00 O ATOM 0 H GLU A 15 41.023 26.502 58.363 1.00 0.00 H new ATOM 0 HA GLU A 15 43.491 24.875 58.536 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.731 27.279 60.235 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.244 26.397 60.293 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.632 27.107 57.851 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.236 28.155 58.008 1.00 0.00 H new ATOM 243 N THR A 16 42.651 23.454 60.526 1.00 0.00 N ATOM 244 CA THR A 16 42.171 22.654 61.670 1.00 0.00 C ATOM 245 C THR A 16 42.991 23.213 62.884 1.00 0.00 C ATOM 246 O THR A 16 44.214 23.096 62.956 1.00 0.00 O ATOM 247 CB THR A 16 42.315 21.115 61.507 1.00 0.00 C ATOM 248 OG1 THR A 16 41.467 20.718 60.426 1.00 0.00 O ATOM 249 CG2 THR A 16 41.933 20.312 62.770 1.00 0.00 C ATOM 0 H THR A 16 43.412 23.028 59.997 1.00 0.00 H new ATOM 0 HA THR A 16 41.093 22.759 61.791 1.00 0.00 H new ATOM 0 HB THR A 16 43.366 20.898 61.319 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.536 19.749 60.295 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.060 19.247 62.576 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.576 20.609 63.598 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.893 20.512 63.028 1.00 0.00 H new ATOM 257 N CYS A 17 42.267 23.825 63.899 1.00 0.00 N ATOM 258 CA CYS A 17 42.910 24.554 64.997 1.00 0.00 C ATOM 259 C CYS A 17 42.710 23.832 66.366 1.00 0.00 C ATOM 260 O CYS A 17 41.703 23.199 66.692 1.00 0.00 O ATOM 261 CB CYS A 17 42.378 25.979 65.162 1.00 0.00 C ATOM 262 SG CYS A 17 43.445 27.191 66.016 1.00 0.00 S ATOM 0 H CYS A 17 41.248 23.810 63.951 1.00 0.00 H new ATOM 0 HA CYS A 17 43.965 24.587 64.724 1.00 0.00 H new ATOM 0 HB2 CYS A 17 42.154 26.370 64.170 1.00 0.00 H new ATOM 0 HB3 CYS A 17 41.434 25.924 65.703 1.00 0.00 H new ATOM 267 N GLN A 18 43.775 24.068 67.200 1.00 0.00 N ATOM 268 CA GLN A 18 43.872 23.653 68.582 1.00 0.00 C ATOM 269 C GLN A 18 44.958 24.584 69.215 1.00 0.00 C ATOM 270 O GLN A 18 45.794 24.131 69.992 1.00 0.00 O ATOM 271 CB GLN A 18 44.136 22.142 68.760 1.00 0.00 C ATOM 272 CG GLN A 18 45.286 21.568 67.905 1.00 0.00 C ATOM 273 CD GLN A 18 45.399 20.068 68.147 1.00 0.00 C ATOM 274 OE1 GLN A 18 44.709 19.247 67.570 1.00 0.00 O ATOM 275 NE2 GLN A 18 46.332 19.714 69.059 1.00 0.00 N ATOM 0 H GLN A 18 44.603 24.573 66.886 1.00 0.00 H new ATOM 0 HA GLN A 18 42.921 23.768 69.101 1.00 0.00 H new ATOM 0 HB2 GLN A 18 44.355 21.949 69.810 1.00 0.00 H new ATOM 0 HB3 GLN A 18 43.221 21.599 68.521 1.00 0.00 H new ATOM 0 HG2 GLN A 18 45.101 21.764 66.849 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.224 22.060 68.161 1.00 0.00 H new ATOM 0 HE21 GLN A 18 46.891 20.431 69.522 1.00 0.00 H new ATOM 0 HE22 GLN A 18 46.477 18.730 69.284 1.00 0.00 H new ATOM 284 N GLU A 19 44.922 25.932 68.863 1.00 0.00 N ATOM 285 CA GLU A 19 45.802 26.934 69.487 1.00 0.00 C ATOM 286 C GLU A 19 44.878 27.817 70.381 1.00 0.00 C ATOM 287 O GLU A 19 44.978 29.037 70.354 1.00 0.00 O ATOM 288 CB GLU A 19 46.655 27.734 68.475 1.00 0.00 C ATOM 289 CG GLU A 19 47.641 26.864 67.662 1.00 0.00 C ATOM 290 CD GLU A 19 48.488 27.699 66.699 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.976 28.783 66.932 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.659 27.064 65.538 1.00 0.00 O ATOM 0 H GLU A 19 44.292 26.314 68.158 1.00 0.00 H new ATOM 0 HA GLU A 19 46.568 26.451 70.093 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.990 28.254 67.785 1.00 0.00 H new ATOM 0 HB3 GLU A 19 47.217 28.498 69.012 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.296 26.325 68.346 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.084 26.116 67.098 1.00 0.00 H new ATOM 300 N ASP A 20 43.969 27.141 71.183 1.00 0.00 N ATOM 301 CA ASP A 20 43.006 27.707 72.127 1.00 0.00 C ATOM 302 C ASP A 20 41.817 28.484 71.452 1.00 0.00 C ATOM 303 O ASP A 20 40.698 28.458 71.966 1.00 0.00 O ATOM 304 CB ASP A 20 42.495 26.630 73.095 1.00 0.00 C ATOM 305 CG ASP A 20 41.649 25.489 72.462 1.00 0.00 C ATOM 306 OD1 ASP A 20 42.042 25.047 71.377 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.639 25.163 73.094 1.00 0.00 O ATOM 0 H ASP A 20 43.913 26.123 71.161 1.00 0.00 H new ATOM 0 HA ASP A 20 43.553 28.462 72.692 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.354 26.183 73.596 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.895 27.116 73.864 1.00 0.00 H new ATOM 312 N SER A 21 42.069 29.254 70.329 1.00 0.00 N ATOM 313 CA SER A 21 41.018 30.099 69.778 1.00 0.00 C ATOM 314 C SER A 21 41.273 30.522 68.296 1.00 0.00 C ATOM 315 O SER A 21 42.263 30.127 67.678 1.00 0.00 O ATOM 316 CB SER A 21 40.794 31.374 70.633 1.00 0.00 C ATOM 317 OG SER A 21 41.678 32.461 70.385 1.00 0.00 O ATOM 0 H SER A 21 42.959 29.286 69.831 1.00 0.00 H new ATOM 0 HA SER A 21 40.122 29.479 69.801 1.00 0.00 H new ATOM 0 HB2 SER A 21 39.773 31.719 70.472 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.875 31.100 71.685 1.00 0.00 H new ATOM 0 HG SER A 21 42.395 32.458 71.053 1.00 0.00 H new ATOM 323 N CYS A 22 40.300 31.327 67.723 1.00 0.00 N ATOM 324 CA CYS A 22 40.520 31.867 66.398 1.00 0.00 C ATOM 325 C CYS A 22 39.796 33.232 66.204 1.00 0.00 C ATOM 326 O CYS A 22 38.739 33.517 66.766 1.00 0.00 O ATOM 327 CB CYS A 22 40.148 30.870 65.268 1.00 0.00 C ATOM 328 SG CYS A 22 38.372 30.754 64.889 1.00 0.00 S ATOM 0 H CYS A 22 39.415 31.583 68.161 1.00 0.00 H new ATOM 0 HA CYS A 22 41.593 32.041 66.319 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.678 31.160 64.361 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.509 29.880 65.546 1.00 0.00 H new ATOM 333 N TYR A 23 40.411 34.087 65.313 1.00 0.00 N ATOM 334 CA TYR A 23 39.990 35.486 65.147 1.00 0.00 C ATOM 335 C TYR A 23 39.459 35.808 63.730 1.00 0.00 C ATOM 336 O TYR A 23 39.820 35.158 62.754 1.00 0.00 O ATOM 337 CB TYR A 23 41.194 36.446 65.403 1.00 0.00 C ATOM 338 CG TYR A 23 42.388 36.149 64.518 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.477 36.638 63.218 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.444 35.368 64.978 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.587 36.403 62.422 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.577 35.136 64.210 1.00 0.00 C ATOM 343 CZ TYR A 23 44.672 35.659 62.920 1.00 0.00 C ATOM 344 OH TYR A 23 45.759 35.471 62.122 1.00 0.00 O ATOM 0 H TYR A 23 41.190 33.813 64.715 1.00 0.00 H new ATOM 0 HA TYR A 23 39.185 35.631 65.867 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.873 37.474 65.237 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.496 36.371 66.448 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.658 37.217 62.818 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.380 34.929 65.963 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.619 36.793 61.415 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.388 34.548 64.613 1.00 0.00 H new ATOM 0 HH TYR A 23 46.429 34.939 62.601 1.00 0.00 H new ATOM 354 N LYS A 24 38.569 36.865 63.665 1.00 0.00 N ATOM 355 CA LYS A 24 37.991 37.429 62.443 1.00 0.00 C ATOM 356 C LYS A 24 38.842 38.700 62.092 1.00 0.00 C ATOM 357 O LYS A 24 39.053 39.614 62.888 1.00 0.00 O ATOM 358 CB LYS A 24 36.509 37.798 62.600 1.00 0.00 C ATOM 359 CG LYS A 24 35.795 38.350 61.347 1.00 0.00 C ATOM 360 CD LYS A 24 35.485 37.376 60.188 1.00 0.00 C ATOM 361 CE LYS A 24 34.668 36.175 60.677 1.00 0.00 C ATOM 362 NZ LYS A 24 34.019 35.349 59.565 1.00 0.00 N ATOM 0 H LYS A 24 38.242 37.343 64.505 1.00 0.00 H new ATOM 0 HA LYS A 24 38.023 36.686 61.646 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.971 36.911 62.935 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.425 38.540 63.394 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.853 38.792 61.670 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.406 39.159 60.946 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.934 37.900 59.407 1.00 0.00 H new ATOM 0 HD3 LYS A 24 36.417 37.028 59.743 1.00 0.00 H new ATOM 0 HE2 LYS A 24 35.318 35.525 61.262 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.887 36.533 61.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.045 35.106 59.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.005 35.902 58.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.565 34.476 59.417 1.00 0.00 H new ATOM 376 N ASN A 25 39.345 38.722 60.809 1.00 0.00 N ATOM 377 CA ASN A 25 40.263 39.731 60.264 1.00 0.00 C ATOM 378 C ASN A 25 39.572 40.241 58.934 1.00 0.00 C ATOM 379 O ASN A 25 39.139 39.434 58.113 1.00 0.00 O ATOM 380 CB ASN A 25 41.622 39.082 60.073 1.00 0.00 C ATOM 381 CG ASN A 25 42.711 40.119 60.032 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.117 40.699 61.021 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.157 40.396 58.800 1.00 0.00 N ATOM 0 H ASN A 25 39.101 38.007 60.124 1.00 0.00 H new ATOM 0 HA ASN A 25 40.443 40.591 60.909 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.812 38.381 60.886 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.628 38.506 59.148 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.865 41.118 58.664 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.789 39.885 57.998 1.00 0.00 H new ATOM 390 N ILE A 26 39.477 41.625 58.728 1.00 0.00 N ATOM 391 CA ILE A 26 38.365 42.187 57.908 1.00 0.00 C ATOM 392 C ILE A 26 38.790 43.369 56.969 1.00 0.00 C ATOM 393 O ILE A 26 38.051 44.312 56.697 1.00 0.00 O ATOM 394 CB ILE A 26 37.210 42.586 58.868 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.269 43.942 59.630 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.960 41.472 59.901 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.518 44.218 60.473 1.00 0.00 C ATOM 0 H ILE A 26 40.128 42.314 59.104 1.00 0.00 H new ATOM 0 HA ILE A 26 38.032 41.415 57.215 1.00 0.00 H new ATOM 0 HB ILE A 26 36.398 42.729 58.156 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.171 44.745 58.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.400 43.999 60.285 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.148 41.768 60.566 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.689 40.551 59.385 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.865 41.308 60.485 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.428 45.195 60.948 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.617 43.449 61.240 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.399 44.206 59.832 1.00 0.00 H new ATOM 409 N TRP A 27 40.022 43.184 56.382 1.00 0.00 N ATOM 410 CA TRP A 27 40.788 44.277 55.794 1.00 0.00 C ATOM 411 C TRP A 27 41.955 43.578 54.975 1.00 0.00 C ATOM 412 O TRP A 27 41.757 43.011 53.905 1.00 0.00 O ATOM 413 CB TRP A 27 41.311 45.288 56.884 1.00 0.00 C ATOM 414 CG TRP A 27 41.718 44.670 58.201 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.987 43.300 58.414 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.758 45.207 59.486 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.083 42.964 59.728 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.970 44.165 60.394 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.498 46.492 60.012 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.962 44.282 61.743 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.487 46.659 61.391 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.725 45.565 62.251 1.00 0.00 C ATOM 0 H TRP A 27 40.482 42.276 56.318 1.00 0.00 H new ATOM 0 HA TRP A 27 40.176 44.897 55.139 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.166 45.826 56.475 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.532 46.026 57.074 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.105 42.588 57.611 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.210 42.035 60.129 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.311 47.328 59.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.129 43.434 62.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.294 47.636 61.810 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.724 45.721 63.320 1.00 0.00 H new ATOM 433 N THR A 28 43.228 43.616 55.535 1.00 0.00 N ATOM 434 CA THR A 28 44.379 42.839 55.065 1.00 0.00 C ATOM 435 C THR A 28 45.096 43.633 53.890 1.00 0.00 C ATOM 436 O THR A 28 45.969 44.454 54.161 1.00 0.00 O ATOM 437 CB THR A 28 44.208 41.305 54.784 1.00 0.00 C ATOM 438 OG1 THR A 28 45.416 40.580 54.985 1.00 0.00 O ATOM 439 CG2 THR A 28 42.989 40.536 55.358 1.00 0.00 C ATOM 0 H THR A 28 43.451 44.207 56.336 1.00 0.00 H new ATOM 0 HA THR A 28 45.026 42.763 55.939 1.00 0.00 H new ATOM 0 HB THR A 28 43.945 41.347 53.727 1.00 0.00 H new ATOM 0 HG1 THR A 28 45.280 39.905 55.682 1.00 0.00 H new ATOM 0 HG21 THR A 28 43.045 39.490 55.058 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.997 40.602 56.446 1.00 0.00 H new ATOM 0 HG23 THR A 28 42.068 40.975 54.974 1.00 0.00 H new ATOM 447 N PHE A 29 44.758 43.355 52.569 1.00 0.00 N ATOM 448 CA PHE A 29 45.358 44.087 51.452 1.00 0.00 C ATOM 449 C PHE A 29 44.388 43.939 50.257 1.00 0.00 C ATOM 450 O PHE A 29 43.977 44.938 49.670 1.00 0.00 O ATOM 451 CB PHE A 29 46.830 43.757 50.998 1.00 0.00 C ATOM 452 CG PHE A 29 46.997 42.451 50.244 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.110 41.232 50.917 1.00 0.00 C ATOM 454 CD2 PHE A 29 47.074 42.437 48.846 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.297 40.035 50.224 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.262 41.251 48.138 1.00 0.00 C ATOM 457 CZ PHE A 29 47.379 40.038 48.827 1.00 0.00 C ATOM 0 H PHE A 29 44.086 42.640 52.292 1.00 0.00 H new ATOM 0 HA PHE A 29 45.488 45.102 51.828 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.189 44.570 50.368 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.468 43.732 51.881 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.051 41.216 51.995 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.986 43.367 48.304 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.379 39.105 50.767 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.317 41.268 47.060 1.00 0.00 H new ATOM 0 HZ PHE A 29 47.531 39.115 48.287 1.00 0.00 H new ATOM 467 N ASP A 30 43.973 42.656 49.950 1.00 0.00 N ATOM 468 CA ASP A 30 42.969 42.330 48.949 1.00 0.00 C ATOM 469 C ASP A 30 41.511 42.655 49.496 1.00 0.00 C ATOM 470 O ASP A 30 40.538 42.120 48.974 1.00 0.00 O ATOM 471 CB ASP A 30 43.227 40.932 48.342 1.00 0.00 C ATOM 472 CG ASP A 30 43.558 39.694 49.229 1.00 0.00 C ATOM 473 OD1 ASP A 30 43.312 39.762 50.432 1.00 0.00 O ATOM 474 OD2 ASP A 30 44.056 38.755 48.592 1.00 0.00 O ATOM 0 H ASP A 30 44.353 41.832 50.417 1.00 0.00 H new ATOM 0 HA ASP A 30 43.050 42.979 48.077 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.342 40.674 47.760 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.051 41.043 47.637 1.00 0.00 H new ATOM 479 N ASN A 31 41.385 43.610 50.509 1.00 0.00 N ATOM 480 CA ASN A 31 40.206 44.210 51.168 1.00 0.00 C ATOM 481 C ASN A 31 39.149 43.073 51.258 1.00 0.00 C ATOM 482 O ASN A 31 38.131 43.082 50.569 1.00 0.00 O ATOM 483 CB ASN A 31 39.732 45.516 50.523 1.00 0.00 C ATOM 484 CG ASN A 31 38.889 46.304 51.521 1.00 0.00 C ATOM 485 OD1 ASN A 31 39.376 46.915 52.456 1.00 0.00 O ATOM 486 ND2 ASN A 31 37.559 46.281 51.292 1.00 0.00 N ATOM 0 H ASN A 31 42.234 44.006 50.911 1.00 0.00 H new ATOM 0 HA ASN A 31 40.443 44.563 52.172 1.00 0.00 H new ATOM 0 HB2 ASN A 31 40.590 46.110 50.208 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.148 45.300 49.629 1.00 0.00 H new ATOM 0 HD21 ASN A 31 36.926 46.786 51.912 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.187 45.758 50.499 1.00 0.00 H new ATOM 493 N ILE A 32 39.402 42.107 52.220 1.00 0.00 N ATOM 494 CA ILE A 32 38.626 40.871 52.271 1.00 0.00 C ATOM 495 C ILE A 32 38.514 40.318 53.724 1.00 0.00 C ATOM 496 O ILE A 32 39.358 40.550 54.588 1.00 0.00 O ATOM 497 CB ILE A 32 39.264 39.771 51.379 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.318 38.622 50.991 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.546 39.184 51.994 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.224 39.023 49.993 1.00 0.00 C ATOM 0 H ILE A 32 40.123 42.187 52.937 1.00 0.00 H new ATOM 0 HA ILE A 32 37.631 41.119 51.902 1.00 0.00 H new ATOM 0 HB ILE A 32 39.509 40.306 50.461 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.906 37.810 50.563 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.847 38.233 51.894 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.951 38.420 51.330 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.282 39.977 52.126 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.314 38.739 52.962 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.599 38.158 49.771 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.609 39.813 50.425 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.685 39.384 49.073 1.00 0.00 H new ATOM 512 N ILE A 33 37.400 39.521 53.959 1.00 0.00 N ATOM 513 CA ILE A 33 37.327 38.741 55.196 1.00 0.00 C ATOM 514 C ILE A 33 38.242 37.504 54.897 1.00 0.00 C ATOM 515 O ILE A 33 37.962 36.656 54.054 1.00 0.00 O ATOM 516 CB ILE A 33 35.954 38.301 55.730 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.182 39.458 56.418 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.098 37.143 56.742 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.698 40.609 55.523 1.00 0.00 C ATOM 0 H ILE A 33 36.602 39.425 53.330 1.00 0.00 H new ATOM 0 HA ILE A 33 37.636 39.388 56.017 1.00 0.00 H new ATOM 0 HB ILE A 33 35.387 37.974 54.858 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.313 39.033 56.920 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.824 39.879 57.192 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.112 36.851 57.104 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.572 36.291 56.255 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.711 37.468 57.582 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.175 41.347 56.131 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.554 41.078 55.039 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.021 40.219 54.763 1.00 0.00 H new ATOM 531 N ARG A 34 39.399 37.399 55.642 1.00 0.00 N ATOM 532 CA ARG A 34 40.359 36.322 55.421 1.00 0.00 C ATOM 533 C ARG A 34 41.134 36.308 56.754 1.00 0.00 C ATOM 534 O ARG A 34 41.874 37.224 57.117 1.00 0.00 O ATOM 535 CB ARG A 34 41.302 36.506 54.236 1.00 0.00 C ATOM 536 CG ARG A 34 42.441 35.477 54.157 1.00 0.00 C ATOM 537 CD ARG A 34 43.146 35.530 52.793 1.00 0.00 C ATOM 538 NE ARG A 34 43.726 36.823 52.347 1.00 0.00 N ATOM 539 CZ ARG A 34 44.396 37.690 53.083 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.960 37.357 54.212 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.506 38.913 52.658 1.00 0.00 N ATOM 0 H ARG A 34 39.660 38.050 56.382 1.00 0.00 H new ATOM 0 HA ARG A 34 39.853 35.393 55.159 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.721 36.456 53.315 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.736 37.505 54.286 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.164 35.669 54.950 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.043 34.476 54.324 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.949 34.793 52.805 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.430 35.209 52.037 1.00 0.00 H new ATOM 0 HE ARG A 34 43.592 37.067 51.366 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.891 36.398 54.553 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.470 38.056 54.753 1.00 0.00 H new ATOM 0 HH21 ARG A 34 44.079 39.186 51.773 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.019 39.600 53.210 1.00 0.00 H new ATOM 555 N ARG A 35 40.910 35.184 57.523 1.00 0.00 N ATOM 556 CA ARG A 35 41.234 35.183 58.939 1.00 0.00 C ATOM 557 C ARG A 35 41.832 33.849 59.441 1.00 0.00 C ATOM 558 O ARG A 35 42.234 33.021 58.627 1.00 0.00 O ATOM 559 CB ARG A 35 39.959 35.669 59.656 1.00 0.00 C ATOM 560 CG ARG A 35 38.613 34.887 59.575 1.00 0.00 C ATOM 561 CD ARG A 35 38.498 33.423 60.054 1.00 0.00 C ATOM 562 NE ARG A 35 37.185 33.005 60.658 1.00 0.00 N ATOM 563 CZ ARG A 35 36.890 32.930 61.952 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.639 33.476 62.860 1.00 0.00 N ATOM 565 NH2 ARG A 35 35.812 32.297 62.323 1.00 0.00 N ATOM 0 H ARG A 35 40.518 34.311 57.170 1.00 0.00 H new ATOM 0 HA ARG A 35 42.056 35.861 59.168 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.208 35.756 60.714 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.759 36.677 59.291 1.00 0.00 H new ATOM 0 HG2 ARG A 35 37.878 35.463 60.138 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.300 34.904 58.531 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.703 32.771 59.205 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.282 33.244 60.790 1.00 0.00 H new ATOM 0 HE ARG A 35 36.443 32.752 60.006 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.483 33.981 62.589 1.00 0.00 H new ATOM 0 HH12 ARG A 35 37.384 33.400 63.845 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.207 31.867 61.624 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.574 32.232 63.313 1.00 0.00 H new ATOM 579 N GLY A 36 41.984 33.690 60.814 1.00 0.00 N ATOM 580 CA GLY A 36 42.626 32.428 61.168 1.00 0.00 C ATOM 581 C GLY A 36 42.816 32.042 62.639 1.00 0.00 C ATOM 582 O GLY A 36 42.425 32.725 63.575 1.00 0.00 O ATOM 0 H GLY A 36 41.710 34.327 61.562 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.051 31.631 60.697 1.00 0.00 H new ATOM 0 HA3 GLY A 36 43.612 32.427 60.704 1.00 0.00 H new ATOM 586 N CYS A 37 43.460 30.826 62.740 1.00 0.00 N ATOM 587 CA CYS A 37 43.780 30.076 63.955 1.00 0.00 C ATOM 588 C CYS A 37 44.904 30.847 64.738 1.00 0.00 C ATOM 589 O CYS A 37 46.074 30.859 64.359 1.00 0.00 O ATOM 590 CB CYS A 37 44.257 28.695 63.491 1.00 0.00 C ATOM 591 SG CYS A 37 44.972 27.578 64.738 1.00 0.00 S ATOM 0 H CYS A 37 43.779 30.335 61.905 1.00 0.00 H new ATOM 0 HA CYS A 37 42.927 29.968 64.625 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.410 28.185 63.032 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.002 28.844 62.709 1.00 0.00 H new ATOM 596 N GLY A 38 44.501 31.591 65.849 1.00 0.00 N ATOM 597 CA GLY A 38 45.534 32.218 66.671 1.00 0.00 C ATOM 598 C GLY A 38 44.840 32.766 67.955 1.00 0.00 C ATOM 599 O GLY A 38 44.348 32.021 68.799 1.00 0.00 O ATOM 0 H GLY A 38 43.537 31.742 66.148 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.308 31.496 66.932 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.022 33.025 66.124 1.00 0.00 H new ATOM 603 N CYS A 39 44.786 34.145 68.074 1.00 0.00 N ATOM 604 CA CYS A 39 44.103 34.824 69.182 1.00 0.00 C ATOM 605 C CYS A 39 45.055 35.453 70.241 1.00 0.00 C ATOM 606 O CYS A 39 46.269 35.515 70.073 1.00 0.00 O ATOM 607 CB CYS A 39 43.038 35.821 68.675 1.00 0.00 C ATOM 608 SG CYS A 39 41.986 36.518 69.990 1.00 0.00 S ATOM 0 H CYS A 39 45.215 34.782 67.403 1.00 0.00 H new ATOM 0 HA CYS A 39 43.582 34.034 69.724 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.539 36.637 68.154 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.404 35.318 67.945 1.00 0.00 H new ATOM 613 N PHE A 40 44.405 35.911 71.368 1.00 0.00 N ATOM 614 CA PHE A 40 45.062 36.392 72.575 1.00 0.00 C ATOM 615 C PHE A 40 45.957 37.619 72.192 1.00 0.00 C ATOM 616 O PHE A 40 47.100 37.720 72.632 1.00 0.00 O ATOM 617 CB PHE A 40 45.757 35.301 73.445 1.00 0.00 C ATOM 618 CG PHE A 40 45.213 33.921 73.122 1.00 0.00 C ATOM 619 CD1 PHE A 40 43.936 33.505 73.516 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.955 33.080 72.285 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.411 32.288 73.081 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.441 31.871 71.831 1.00 0.00 C ATOM 623 CZ PHE A 40 44.167 31.470 72.241 1.00 0.00 C ATOM 0 H PHE A 40 43.388 35.944 71.432 1.00 0.00 H new ATOM 0 HA PHE A 40 44.295 36.726 73.274 1.00 0.00 H new ATOM 0 HB2 PHE A 40 46.833 35.322 73.270 1.00 0.00 H new ATOM 0 HB3 PHE A 40 45.601 35.519 74.502 1.00 0.00 H new ATOM 0 HD1 PHE A 40 43.348 34.136 74.167 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.949 33.377 71.985 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.424 31.980 73.393 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.021 31.247 71.167 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.766 30.524 71.907 1.00 0.00 H new ATOM 633 N THR A 41 45.361 38.612 71.429 1.00 0.00 N ATOM 634 CA THR A 41 46.038 39.879 71.102 1.00 0.00 C ATOM 635 C THR A 41 44.976 41.004 71.412 1.00 0.00 C ATOM 636 O THR A 41 44.437 41.625 70.500 1.00 0.00 O ATOM 637 CB THR A 41 46.660 39.967 69.694 1.00 0.00 C ATOM 638 OG1 THR A 41 47.208 41.274 69.505 1.00 0.00 O ATOM 639 CG2 THR A 41 47.710 38.887 69.385 1.00 0.00 C ATOM 0 H THR A 41 44.420 38.535 71.044 1.00 0.00 H new ATOM 0 HA THR A 41 46.935 39.990 71.711 1.00 0.00 H new ATOM 0 HB THR A 41 45.852 39.778 68.987 1.00 0.00 H new ATOM 0 HG1 THR A 41 47.606 41.336 68.612 1.00 0.00 H new ATOM 0 HG21 THR A 41 48.091 39.029 68.374 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.532 38.964 70.097 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.252 37.901 69.465 1.00 0.00 H new ATOM 647 N PRO A 42 44.729 41.307 72.760 1.00 0.00 N ATOM 648 CA PRO A 42 43.763 42.355 73.174 1.00 0.00 C ATOM 649 C PRO A 42 44.574 43.697 73.180 1.00 0.00 C ATOM 650 O PRO A 42 45.214 44.032 74.177 1.00 0.00 O ATOM 651 CB PRO A 42 43.287 41.937 74.587 1.00 0.00 C ATOM 652 CG PRO A 42 44.454 41.086 75.111 1.00 0.00 C ATOM 653 CD PRO A 42 44.855 40.333 73.847 1.00 0.00 C ATOM 0 HA PRO A 42 42.893 42.477 72.529 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.103 42.803 75.223 1.00 0.00 H new ATOM 0 HB3 PRO A 42 42.359 41.367 74.547 1.00 0.00 H new ATOM 0 HG2 PRO A 42 45.267 41.697 75.502 1.00 0.00 H new ATOM 0 HG3 PRO A 42 44.147 40.413 75.912 1.00 0.00 H new ATOM 0 HD2 PRO A 42 45.875 39.956 73.921 1.00 0.00 H new ATOM 0 HD3 PRO A 42 44.208 39.472 73.680 1.00 0.00 H new ATOM 661 N ARG A 43 44.509 44.516 72.055 1.00 0.00 N ATOM 662 CA ARG A 43 45.295 45.754 72.039 1.00 0.00 C ATOM 663 C ARG A 43 44.636 46.919 71.230 1.00 0.00 C ATOM 664 O ARG A 43 43.924 46.735 70.247 1.00 0.00 O ATOM 665 CB ARG A 43 46.707 45.555 71.435 1.00 0.00 C ATOM 666 CG ARG A 43 47.529 44.382 72.021 1.00 0.00 C ATOM 667 CD ARG A 43 48.969 44.250 71.475 1.00 0.00 C ATOM 668 NE ARG A 43 50.058 45.156 71.909 1.00 0.00 N ATOM 669 CZ ARG A 43 49.992 46.330 72.517 1.00 0.00 C ATOM 670 NH1 ARG A 43 49.090 46.604 73.419 1.00 0.00 N ATOM 671 NH2 ARG A 43 50.890 47.236 72.239 1.00 0.00 N ATOM 0 H ARG A 43 43.953 44.332 71.220 1.00 0.00 H new ATOM 0 HA ARG A 43 45.349 46.022 73.094 1.00 0.00 H new ATOM 0 HB2 ARG A 43 46.604 45.401 70.361 1.00 0.00 H new ATOM 0 HB3 ARG A 43 47.274 46.476 71.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 47.577 44.498 73.104 1.00 0.00 H new ATOM 0 HG3 ARG A 43 46.996 43.452 71.824 1.00 0.00 H new ATOM 0 HD2 ARG A 43 49.298 43.235 71.696 1.00 0.00 H new ATOM 0 HD3 ARG A 43 48.903 44.334 70.390 1.00 0.00 H new ATOM 0 HE ARG A 43 51.002 44.825 71.709 1.00 0.00 H new ATOM 0 HH11 ARG A 43 48.400 45.900 73.680 1.00 0.00 H new ATOM 0 HH12 ARG A 43 49.075 47.522 73.863 1.00 0.00 H new ATOM 0 HH21 ARG A 43 51.627 47.033 71.563 1.00 0.00 H new ATOM 0 HH22 ARG A 43 50.855 48.146 72.698 1.00 0.00 H new ATOM 685 N GLY A 44 44.986 48.180 71.691 1.00 0.00 N ATOM 686 CA GLY A 44 44.600 49.444 71.046 1.00 0.00 C ATOM 687 C GLY A 44 45.819 50.095 70.348 1.00 0.00 C ATOM 688 O GLY A 44 45.693 50.601 69.236 1.00 0.00 O ATOM 0 H GLY A 44 45.549 48.318 72.530 1.00 0.00 H new ATOM 0 HA2 GLY A 44 43.812 49.260 70.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 44.192 50.128 71.790 1.00 0.00 H new ATOM 692 N ASP A 45 47.015 50.099 71.045 1.00 0.00 N ATOM 693 CA ASP A 45 48.275 50.735 70.637 1.00 0.00 C ATOM 694 C ASP A 45 49.133 49.880 69.643 1.00 0.00 C ATOM 695 O ASP A 45 50.322 50.108 69.424 1.00 0.00 O ATOM 696 CB ASP A 45 49.050 51.127 71.908 1.00 0.00 C ATOM 697 CG ASP A 45 49.392 49.943 72.862 1.00 0.00 C ATOM 698 OD1 ASP A 45 48.435 49.269 73.265 1.00 0.00 O ATOM 699 OD2 ASP A 45 50.590 49.769 73.097 1.00 0.00 O ATOM 0 H ASP A 45 47.102 49.629 71.946 1.00 0.00 H new ATOM 0 HA ASP A 45 48.037 51.628 70.059 1.00 0.00 H new ATOM 0 HB2 ASP A 45 49.978 51.616 71.613 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.464 51.862 72.461 1.00 0.00 H new ATOM 704 N MET A 46 48.424 48.929 68.951 1.00 0.00 N ATOM 705 CA MET A 46 48.942 48.103 67.864 1.00 0.00 C ATOM 706 C MET A 46 47.629 47.425 67.344 1.00 0.00 C ATOM 707 O MET A 46 47.068 46.556 68.015 1.00 0.00 O ATOM 708 CB MET A 46 50.018 47.049 68.217 1.00 0.00 C ATOM 709 CG MET A 46 50.525 46.289 66.971 1.00 0.00 C ATOM 710 SD MET A 46 52.033 45.263 67.232 1.00 0.00 S ATOM 711 CE MET A 46 53.263 46.334 66.435 1.00 0.00 C ATOM 0 H MET A 46 47.446 48.729 69.160 1.00 0.00 H new ATOM 0 HA MET A 46 49.496 48.714 67.151 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.858 47.541 68.707 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.605 46.337 68.931 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.725 45.643 66.609 1.00 0.00 H new ATOM 0 HG3 MET A 46 50.731 47.013 66.183 1.00 0.00 H new ATOM 0 HE1 MET A 46 54.246 45.868 66.498 1.00 0.00 H new ATOM 0 HE2 MET A 46 52.996 46.478 65.388 1.00 0.00 H new ATOM 0 HE3 MET A 46 53.286 47.300 66.940 1.00 0.00 H new ATOM 721 N PRO A 47 47.117 47.799 66.098 1.00 0.00 N ATOM 722 CA PRO A 47 45.785 47.303 65.700 1.00 0.00 C ATOM 723 C PRO A 47 45.709 45.745 65.623 1.00 0.00 C ATOM 724 O PRO A 47 46.558 45.067 65.048 1.00 0.00 O ATOM 725 CB PRO A 47 45.507 47.960 64.341 1.00 0.00 C ATOM 726 CG PRO A 47 46.149 49.338 64.559 1.00 0.00 C ATOM 727 CD PRO A 47 47.456 48.963 65.271 1.00 0.00 C ATOM 0 HA PRO A 47 45.032 47.564 66.444 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.965 47.415 63.516 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.441 48.029 64.124 1.00 0.00 H new ATOM 0 HG2 PRO A 47 46.330 49.859 63.619 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.523 49.989 65.169 1.00 0.00 H new ATOM 0 HD2 PRO A 47 48.241 48.723 64.554 1.00 0.00 H new ATOM 0 HD3 PRO A 47 47.823 49.788 65.882 1.00 0.00 H new ATOM 735 N GLY A 48 44.598 45.173 66.236 1.00 0.00 N ATOM 736 CA GLY A 48 44.357 43.721 66.275 1.00 0.00 C ATOM 737 C GLY A 48 42.980 43.280 65.706 1.00 0.00 C ATOM 738 O GLY A 48 42.077 44.088 65.506 1.00 0.00 O ATOM 0 H GLY A 48 43.874 45.721 66.701 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.145 43.220 65.713 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.435 43.380 67.307 1.00 0.00 H new ATOM 742 N PRO A 49 42.844 41.915 65.503 1.00 0.00 N ATOM 743 CA PRO A 49 41.593 41.301 65.047 1.00 0.00 C ATOM 744 C PRO A 49 40.624 41.080 66.269 1.00 0.00 C ATOM 745 O PRO A 49 40.974 41.375 67.412 1.00 0.00 O ATOM 746 CB PRO A 49 42.095 39.962 64.487 1.00 0.00 C ATOM 747 CG PRO A 49 43.170 39.556 65.503 1.00 0.00 C ATOM 748 CD PRO A 49 43.878 40.898 65.729 1.00 0.00 C ATOM 0 HA PRO A 49 41.029 41.893 64.326 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.296 39.223 64.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.506 40.071 63.483 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.740 39.156 66.421 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.844 38.795 65.109 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.284 40.965 66.738 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.713 41.025 65.040 1.00 0.00 H new ATOM 756 N TYR A 50 39.376 40.535 66.000 1.00 0.00 N ATOM 757 CA TYR A 50 38.390 40.270 67.088 1.00 0.00 C ATOM 758 C TYR A 50 38.085 38.723 67.181 1.00 0.00 C ATOM 759 O TYR A 50 38.097 38.058 66.150 1.00 0.00 O ATOM 760 CB TYR A 50 37.079 41.129 66.976 1.00 0.00 C ATOM 761 CG TYR A 50 36.044 40.581 66.017 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.222 39.525 66.405 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.823 41.135 64.757 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.235 39.010 65.578 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.819 40.661 63.925 1.00 0.00 C ATOM 766 CZ TYR A 50 34.006 39.580 64.324 1.00 0.00 C ATOM 767 OH TYR A 50 33.044 39.129 63.470 1.00 0.00 O ATOM 0 H TYR A 50 39.052 40.284 65.066 1.00 0.00 H new ATOM 0 HA TYR A 50 38.852 40.591 68.022 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.630 41.212 67.966 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.347 42.138 66.662 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.358 39.092 67.385 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.447 41.950 64.421 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.643 38.168 65.904 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.659 41.124 62.963 1.00 0.00 H new ATOM 0 HH TYR A 50 32.920 38.165 63.596 1.00 0.00 H new ATOM 777 N CYS A 51 37.808 38.134 68.426 1.00 0.00 N ATOM 778 CA CYS A 51 37.928 36.656 68.540 1.00 0.00 C ATOM 779 C CYS A 51 36.819 35.825 69.289 1.00 0.00 C ATOM 780 O CYS A 51 36.049 36.329 70.097 1.00 0.00 O ATOM 781 CB CYS A 51 39.257 36.352 69.264 1.00 0.00 C ATOM 782 SG CYS A 51 40.634 37.421 68.732 1.00 0.00 S ATOM 0 H CYS A 51 37.528 38.629 69.273 1.00 0.00 H new ATOM 0 HA CYS A 51 37.837 36.334 67.503 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.111 36.468 70.338 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.527 35.311 69.089 1.00 0.00 H new ATOM 787 N CYS A 52 36.858 34.467 68.995 1.00 0.00 N ATOM 788 CA CYS A 52 35.972 33.440 69.550 1.00 0.00 C ATOM 789 C CYS A 52 36.763 32.102 69.822 1.00 0.00 C ATOM 790 O CYS A 52 37.714 31.788 69.109 1.00 0.00 O ATOM 791 CB CYS A 52 34.868 33.103 68.562 1.00 0.00 C ATOM 792 SG CYS A 52 33.385 32.362 69.312 1.00 0.00 S ATOM 0 H CYS A 52 37.539 34.079 68.342 1.00 0.00 H new ATOM 0 HA CYS A 52 35.561 33.839 70.477 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.578 34.013 68.036 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.264 32.415 67.815 1.00 0.00 H new ATOM 797 N GLU A 53 36.308 31.264 70.831 1.00 0.00 N ATOM 798 CA GLU A 53 36.983 29.984 71.147 1.00 0.00 C ATOM 799 C GLU A 53 35.982 28.793 71.058 1.00 0.00 C ATOM 800 O GLU A 53 35.939 27.923 71.927 1.00 0.00 O ATOM 801 CB GLU A 53 37.833 29.995 72.434 1.00 0.00 C ATOM 802 CG GLU A 53 37.170 30.219 73.804 1.00 0.00 C ATOM 803 CD GLU A 53 38.272 30.138 74.863 1.00 0.00 C ATOM 804 OE1 GLU A 53 39.151 30.962 75.030 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.170 29.031 75.598 1.00 0.00 O ATOM 0 H GLU A 53 35.495 31.465 71.413 1.00 0.00 H new ATOM 0 HA GLU A 53 37.735 29.837 70.372 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.357 29.040 72.482 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.591 30.769 72.313 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.676 31.190 73.837 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.404 29.465 73.988 1.00 0.00 H new ATOM 813 N SER A 54 35.250 28.702 69.890 1.00 0.00 N ATOM 814 CA SER A 54 34.310 27.610 69.638 1.00 0.00 C ATOM 815 C SER A 54 34.185 27.369 68.091 1.00 0.00 C ATOM 816 O SER A 54 34.716 28.155 67.308 1.00 0.00 O ATOM 817 CB SER A 54 32.937 27.783 70.323 1.00 0.00 C ATOM 818 OG SER A 54 32.050 28.745 69.770 1.00 0.00 O ATOM 0 H SER A 54 35.312 29.381 69.131 1.00 0.00 H new ATOM 0 HA SER A 54 34.723 26.716 70.106 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.433 26.817 70.317 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.111 28.045 71.367 1.00 0.00 H new ATOM 0 HG SER A 54 32.501 29.227 69.045 1.00 0.00 H new ATOM 824 N ASP A 55 33.508 26.235 67.655 1.00 0.00 N ATOM 825 CA ASP A 55 33.617 25.838 66.235 1.00 0.00 C ATOM 826 C ASP A 55 32.907 26.924 65.318 1.00 0.00 C ATOM 827 O ASP A 55 31.686 27.066 65.275 1.00 0.00 O ATOM 828 CB ASP A 55 33.055 24.418 65.999 1.00 0.00 C ATOM 829 CG ASP A 55 33.572 23.882 64.641 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.805 23.837 64.554 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.710 23.613 63.801 1.00 0.00 O ATOM 0 H ASP A 55 32.927 25.634 68.239 1.00 0.00 H new ATOM 0 HA ASP A 55 34.671 25.799 65.960 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.363 23.754 66.806 1.00 0.00 H new ATOM 0 HB3 ASP A 55 31.965 24.440 66.003 1.00 0.00 H new ATOM 836 N LYS A 56 33.751 27.701 64.523 1.00 0.00 N ATOM 837 CA LYS A 56 33.433 28.827 63.651 1.00 0.00 C ATOM 838 C LYS A 56 33.014 30.087 64.473 1.00 0.00 C ATOM 839 O LYS A 56 33.724 31.093 64.449 1.00 0.00 O ATOM 840 CB LYS A 56 32.452 28.654 62.477 1.00 0.00 C ATOM 841 CG LYS A 56 32.980 27.696 61.396 1.00 0.00 C ATOM 842 CD LYS A 56 32.703 26.203 61.641 1.00 0.00 C ATOM 843 CE LYS A 56 31.210 25.814 61.772 1.00 0.00 C ATOM 844 NZ LYS A 56 30.929 25.333 63.199 1.00 0.00 N ATOM 0 H LYS A 56 34.752 27.504 64.504 1.00 0.00 H new ATOM 0 HA LYS A 56 34.393 28.935 63.146 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.501 28.279 62.856 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.254 29.627 62.028 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.539 27.977 60.440 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.057 27.838 61.305 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.139 25.631 60.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 33.220 25.900 62.551 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.578 26.670 61.535 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.964 25.029 61.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 29.939 25.024 63.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 31.558 24.537 63.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 31.099 26.111 63.868 1.00 0.00 H new ATOM 858 N CYS A 57 31.786 30.028 65.105 1.00 0.00 N ATOM 859 CA CYS A 57 31.098 31.107 65.821 1.00 0.00 C ATOM 860 C CYS A 57 30.416 32.067 64.790 1.00 0.00 C ATOM 861 O CYS A 57 29.256 32.423 64.989 1.00 0.00 O ATOM 862 CB CYS A 57 31.916 31.941 66.832 1.00 0.00 C ATOM 863 SG CYS A 57 32.909 30.906 67.941 1.00 0.00 S ATOM 0 H CYS A 57 31.242 29.165 65.113 1.00 0.00 H new ATOM 0 HA CYS A 57 30.382 30.576 66.448 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.573 32.621 66.290 1.00 0.00 H new ATOM 0 HB3 CYS A 57 31.238 32.556 67.424 1.00 0.00 H new ATOM 868 N ASN A 58 31.153 32.519 63.703 1.00 0.00 N ATOM 869 CA ASN A 58 30.584 33.421 62.704 1.00 0.00 C ATOM 870 C ASN A 58 31.526 33.310 61.461 1.00 0.00 C ATOM 871 O ASN A 58 32.253 34.241 61.131 1.00 0.00 O ATOM 872 CB ASN A 58 30.336 34.880 63.186 1.00 0.00 C ATOM 873 CG ASN A 58 31.508 35.499 63.939 1.00 0.00 C ATOM 874 OD1 ASN A 58 32.314 36.264 63.441 1.00 0.00 O ATOM 875 ND2 ASN A 58 31.569 35.163 65.246 1.00 0.00 N ATOM 0 H ASN A 58 32.124 32.259 63.528 1.00 0.00 H new ATOM 0 HA ASN A 58 29.566 33.116 62.461 1.00 0.00 H new ATOM 0 HB2 ASN A 58 30.106 35.502 62.321 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.457 34.893 63.831 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.302 35.552 65.839 1.00 0.00 H new ATOM 0 HD22 ASN A 58 30.882 34.520 65.640 1.00 0.00 H new ATOM 882 N LEU A 59 31.486 32.107 60.771 1.00 0.00 N ATOM 883 CA LEU A 59 32.263 31.757 59.562 1.00 0.00 C ATOM 884 C LEU A 59 33.823 31.946 59.853 1.00 0.00 C ATOM 885 O LEU A 59 34.366 31.024 60.472 1.00 0.00 O ATOM 886 CB LEU A 59 31.897 32.490 58.250 1.00 0.00 C ATOM 887 CG LEU A 59 30.572 32.250 57.489 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.331 30.767 57.162 1.00 0.00 C ATOM 889 CD2 LEU A 59 29.344 32.816 58.218 1.00 0.00 C ATOM 890 OXT LEU A 59 34.345 32.998 59.459 1.00 0.00 O ATOM 0 H LEU A 59 30.882 31.342 61.072 1.00 0.00 H new ATOM 0 HA LEU A 59 31.994 30.718 59.372 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.937 33.557 58.471 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.701 32.280 57.544 1.00 0.00 H new ATOM 0 HG LEU A 59 30.695 32.797 56.554 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.387 30.661 56.628 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.144 30.395 56.539 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.291 30.192 58.087 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.448 32.614 57.631 1.00 0.00 H new ATOM 0 HD22 LEU A 59 29.252 32.344 59.196 1.00 0.00 H new ATOM 0 HD23 LEU A 59 29.460 33.892 58.345 1.00 0.00 H new TER 902 LEU A 59