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 6 HIS : no HD1:sc= -1.5 K(o=-0.21,f=-3.8) USER MOD Set 1.2: A 13 THR OG1 : rot -78:sc= 1.29 USER MOD Single : A 1 ARG N :NH3+ -135:sc= -0.802! (180deg=-3.3!) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 5 ASN : amide:sc= 0.495 K(o=0.49,f=-0.24) USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.685 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 10:sc= 0.157 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= -2.5! (180deg=-6.19!) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.709 F(o=-2.2!,f=-0.71) USER MOD Single : A 28 THR OG1 : rot -97:sc= 1.42 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 41 THR OG1 : rot 34:sc= 0.109 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.203! (180deg=-2.79!) USER MOD Single : A 58 ASN : amide:sc= -0.0601 K(o=-0.06,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.528 25.238 66.994 1.00 0.00 N ATOM 2 CA ARG A 1 40.098 24.986 66.511 1.00 0.00 C ATOM 3 C ARG A 1 40.126 24.961 64.950 1.00 0.00 C ATOM 4 O ARG A 1 41.099 25.442 64.374 1.00 0.00 O ATOM 5 CB ARG A 1 39.107 26.072 67.025 1.00 0.00 C ATOM 6 CG ARG A 1 37.720 25.490 67.372 1.00 0.00 C ATOM 7 CD ARG A 1 36.649 26.497 67.835 1.00 0.00 C ATOM 8 NE ARG A 1 36.716 27.235 69.114 1.00 0.00 N ATOM 9 CZ ARG A 1 37.240 26.869 70.272 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.205 26.007 70.359 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.765 27.377 71.380 1.00 0.00 N ATOM 0 H1 ARG A 1 41.751 24.587 67.774 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.192 25.079 66.210 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.614 26.220 67.327 1.00 0.00 H new ATOM 0 HA ARG A 1 39.743 24.035 66.909 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.527 26.553 67.908 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.993 26.845 66.265 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.340 24.967 66.494 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.849 24.744 68.156 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.578 27.250 67.050 1.00 0.00 H new ATOM 0 HD3 ARG A 1 35.703 25.955 67.843 1.00 0.00 H new ATOM 0 HE ARG A 1 36.296 28.164 69.102 1.00 0.00 H new ATOM 0 HH11 ARG A 1 38.588 25.584 69.514 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.581 25.752 71.273 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.998 28.048 71.345 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.162 27.102 72.278 1.00 0.00 H new ATOM 27 N ILE A 2 39.061 24.380 64.260 1.00 0.00 N ATOM 28 CA ILE A 2 39.013 24.461 62.784 1.00 0.00 C ATOM 29 C ILE A 2 38.370 25.858 62.473 1.00 0.00 C ATOM 30 O ILE A 2 37.213 26.127 62.806 1.00 0.00 O ATOM 31 CB ILE A 2 38.200 23.392 62.002 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.761 21.954 62.116 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.147 23.772 60.498 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.734 20.867 61.744 1.00 0.00 C ATOM 0 H ILE A 2 38.282 23.886 64.696 1.00 0.00 H new ATOM 0 HA ILE A 2 40.036 24.293 62.447 1.00 0.00 H new ATOM 0 HB ILE A 2 37.210 23.388 62.458 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.632 21.859 61.467 1.00 0.00 H new ATOM 0 HG13 ILE A 2 39.104 21.785 63.137 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.576 23.020 59.953 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.667 24.744 60.385 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.160 23.819 60.099 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.192 19.883 61.846 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.873 20.937 62.409 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.409 21.011 60.714 1.00 0.00 H new ATOM 46 N CYS A 3 39.143 26.780 61.784 1.00 0.00 N ATOM 47 CA CYS A 3 38.563 28.056 61.368 1.00 0.00 C ATOM 48 C CYS A 3 39.066 28.447 59.947 1.00 0.00 C ATOM 49 O CYS A 3 40.051 27.917 59.438 1.00 0.00 O ATOM 50 CB CYS A 3 38.793 29.231 62.339 1.00 0.00 C ATOM 51 SG CYS A 3 38.552 28.718 64.073 1.00 0.00 S ATOM 0 H CYS A 3 40.121 26.644 61.529 1.00 0.00 H new ATOM 0 HA CYS A 3 37.487 27.882 61.366 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.803 29.619 62.210 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.106 30.043 62.099 1.00 0.00 H new ATOM 56 N TYR A 4 38.339 29.425 59.296 1.00 0.00 N ATOM 57 CA TYR A 4 38.615 29.691 57.889 1.00 0.00 C ATOM 58 C TYR A 4 39.933 30.506 57.657 1.00 0.00 C ATOM 59 O TYR A 4 40.335 31.343 58.459 1.00 0.00 O ATOM 60 CB TYR A 4 37.477 30.535 57.275 1.00 0.00 C ATOM 61 CG TYR A 4 36.069 30.107 57.651 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.477 30.561 58.830 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.296 29.305 56.819 1.00 0.00 C ATOM 64 CE1 TYR A 4 34.167 30.258 59.156 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.971 29.012 57.110 1.00 0.00 C ATOM 66 CZ TYR A 4 33.366 29.523 58.261 1.00 0.00 C ATOM 67 OH TYR A 4 32.042 29.354 58.537 1.00 0.00 O ATOM 0 H TYR A 4 37.606 29.995 59.718 1.00 0.00 H new ATOM 0 HA TYR A 4 38.709 28.710 57.424 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.615 31.573 57.577 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.570 30.503 56.189 1.00 0.00 H new ATOM 0 HD1 TYR A 4 36.059 31.167 59.509 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.739 28.899 55.922 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.757 30.586 60.100 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.402 28.383 56.441 1.00 0.00 H new ATOM 0 HH TYR A 4 31.624 28.826 57.825 1.00 0.00 H new ATOM 77 N ASN A 5 40.558 30.273 56.442 1.00 0.00 N ATOM 78 CA ASN A 5 41.628 31.140 55.928 1.00 0.00 C ATOM 79 C ASN A 5 41.378 31.125 54.393 1.00 0.00 C ATOM 80 O ASN A 5 42.258 30.772 53.619 1.00 0.00 O ATOM 81 CB ASN A 5 43.052 30.702 56.306 1.00 0.00 C ATOM 82 CG ASN A 5 44.138 31.557 55.648 1.00 0.00 C ATOM 83 OD1 ASN A 5 44.945 31.125 54.847 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.164 32.846 56.045 1.00 0.00 N ATOM 0 H ASN A 5 40.323 29.494 55.827 1.00 0.00 H new ATOM 0 HA ASN A 5 41.585 32.136 56.369 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.165 30.752 57.389 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.194 29.660 56.018 1.00 0.00 H new ATOM 0 HD21 ASN A 5 44.871 33.480 55.672 1.00 0.00 H new ATOM 0 HD22 ASN A 5 43.477 33.186 56.718 1.00 0.00 H new ATOM 91 N HIS A 6 40.115 31.519 53.976 1.00 0.00 N ATOM 92 CA HIS A 6 39.648 31.562 52.581 1.00 0.00 C ATOM 93 C HIS A 6 39.699 33.014 51.971 1.00 0.00 C ATOM 94 O HIS A 6 40.095 33.951 52.657 1.00 0.00 O ATOM 95 CB HIS A 6 40.110 30.342 51.674 1.00 0.00 C ATOM 96 CG HIS A 6 41.418 30.490 50.951 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.240 29.403 50.574 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.074 31.565 50.433 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.314 29.797 49.895 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.210 31.127 49.777 1.00 0.00 N ATOM 0 H HIS A 6 39.398 31.817 54.637 1.00 0.00 H new ATOM 0 HA HIS A 6 38.578 31.354 52.598 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.169 29.454 52.304 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.332 30.156 50.933 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.758 32.594 50.520 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.108 29.171 49.516 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.869 31.726 49.279 1.00 0.00 H new ATOM 109 N LEU A 7 39.195 33.187 50.694 1.00 0.00 N ATOM 110 CA LEU A 7 39.026 34.487 50.039 1.00 0.00 C ATOM 111 C LEU A 7 40.369 35.208 49.649 1.00 0.00 C ATOM 112 O LEU A 7 41.462 34.687 49.832 1.00 0.00 O ATOM 113 CB LEU A 7 38.044 35.428 50.772 1.00 0.00 C ATOM 114 CG LEU A 7 36.596 34.935 51.014 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.461 33.842 52.085 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.725 36.133 51.431 1.00 0.00 C ATOM 0 H LEU A 7 38.901 32.404 50.110 1.00 0.00 H new ATOM 0 HA LEU A 7 38.556 34.233 49.089 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.478 35.672 51.742 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.988 36.357 50.205 1.00 0.00 H new ATOM 0 HG LEU A 7 36.271 34.489 50.074 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.413 33.559 52.186 1.00 0.00 H new ATOM 0 HD12 LEU A 7 37.045 32.970 51.791 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.828 34.220 53.039 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.703 35.797 51.604 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.123 36.571 52.346 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.732 36.881 50.638 1.00 0.00 H new ATOM 128 N GLY A 8 40.252 36.407 48.961 1.00 0.00 N ATOM 129 CA GLY A 8 41.457 37.094 48.502 1.00 0.00 C ATOM 130 C GLY A 8 42.231 36.200 47.502 1.00 0.00 C ATOM 131 O GLY A 8 43.410 35.959 47.741 1.00 0.00 O ATOM 0 H GLY A 8 39.371 36.871 48.737 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.188 38.037 48.026 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.093 37.336 49.353 1.00 0.00 H new ATOM 135 N THR A 9 41.564 35.791 46.349 1.00 0.00 N ATOM 136 CA THR A 9 42.074 35.037 45.158 1.00 0.00 C ATOM 137 C THR A 9 41.347 33.667 45.027 1.00 0.00 C ATOM 138 O THR A 9 41.025 33.257 43.912 1.00 0.00 O ATOM 139 CB THR A 9 43.603 34.762 45.114 1.00 0.00 C ATOM 140 OG1 THR A 9 44.396 35.950 45.188 1.00 0.00 O ATOM 141 CG2 THR A 9 44.131 34.060 43.852 1.00 0.00 C ATOM 0 H THR A 9 40.573 36.007 46.236 1.00 0.00 H new ATOM 0 HA THR A 9 41.859 35.711 44.329 1.00 0.00 H new ATOM 0 HB THR A 9 43.704 34.114 45.985 1.00 0.00 H new ATOM 0 HG1 THR A 9 44.394 36.288 46.108 1.00 0.00 H new ATOM 0 HG21 THR A 9 45.209 33.922 43.936 1.00 0.00 H new ATOM 0 HG22 THR A 9 43.648 33.088 43.747 1.00 0.00 H new ATOM 0 HG23 THR A 9 43.911 34.671 42.977 1.00 0.00 H new ATOM 149 N LYS A 10 41.113 32.945 46.184 1.00 0.00 N ATOM 150 CA LYS A 10 40.578 31.568 46.132 1.00 0.00 C ATOM 151 C LYS A 10 39.596 31.304 47.345 1.00 0.00 C ATOM 152 O LYS A 10 40.016 31.437 48.486 1.00 0.00 O ATOM 153 CB LYS A 10 41.704 30.501 46.206 1.00 0.00 C ATOM 154 CG LYS A 10 42.655 30.405 44.990 1.00 0.00 C ATOM 155 CD LYS A 10 42.025 29.798 43.717 1.00 0.00 C ATOM 156 CE LYS A 10 43.030 29.692 42.559 1.00 0.00 C ATOM 157 NZ LYS A 10 42.415 28.997 41.339 1.00 0.00 N ATOM 0 H LYS A 10 41.287 33.298 47.125 1.00 0.00 H new ATOM 0 HA LYS A 10 40.055 31.481 45.180 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.305 30.703 47.092 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.239 29.526 46.351 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.022 31.404 44.755 1.00 0.00 H new ATOM 0 HG3 LYS A 10 43.521 29.805 45.271 1.00 0.00 H new ATOM 0 HD2 LYS A 10 41.633 28.807 43.946 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.179 30.411 43.406 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.368 30.689 42.278 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.909 29.138 42.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 43.121 28.943 40.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 42.115 28.036 41.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.591 29.539 41.009 1.00 0.00 H new ATOM 171 N PRO A 11 38.289 30.817 47.124 1.00 0.00 N ATOM 172 CA PRO A 11 37.390 30.570 48.294 1.00 0.00 C ATOM 173 C PRO A 11 37.419 29.144 49.031 1.00 0.00 C ATOM 174 O PRO A 11 36.694 29.062 50.022 1.00 0.00 O ATOM 175 CB PRO A 11 35.965 31.008 47.850 1.00 0.00 C ATOM 176 CG PRO A 11 36.035 31.102 46.316 1.00 0.00 C ATOM 177 CD PRO A 11 37.506 31.427 46.043 1.00 0.00 C ATOM 0 HA PRO A 11 37.791 31.165 49.114 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.214 30.285 48.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.691 31.966 48.292 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.736 30.167 45.843 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.374 31.879 45.931 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.814 31.034 45.074 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.664 32.505 46.014 1.00 0.00 H new ATOM 185 N PRO A 12 38.311 28.093 48.733 1.00 0.00 N ATOM 186 CA PRO A 12 38.194 26.785 49.428 1.00 0.00 C ATOM 187 C PRO A 12 38.785 26.382 50.832 1.00 0.00 C ATOM 188 O PRO A 12 38.219 25.432 51.379 1.00 0.00 O ATOM 189 CB PRO A 12 38.974 25.838 48.489 1.00 0.00 C ATOM 190 CG PRO A 12 38.533 26.310 47.110 1.00 0.00 C ATOM 191 CD PRO A 12 38.556 27.828 47.307 1.00 0.00 C ATOM 0 HA PRO A 12 37.124 26.772 49.634 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.052 25.929 48.624 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.718 24.793 48.662 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.215 25.985 46.324 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.542 25.942 46.845 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.517 28.240 47.000 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.794 28.306 46.692 1.00 0.00 H new ATOM 199 N THR A 13 39.896 26.974 51.435 1.00 0.00 N ATOM 200 CA THR A 13 40.433 26.367 52.680 1.00 0.00 C ATOM 201 C THR A 13 39.909 26.884 54.058 1.00 0.00 C ATOM 202 O THR A 13 39.675 28.057 54.337 1.00 0.00 O ATOM 203 CB THR A 13 41.985 26.445 52.840 1.00 0.00 C ATOM 204 OG1 THR A 13 42.547 27.756 52.842 1.00 0.00 O ATOM 205 CG2 THR A 13 42.758 25.612 51.812 1.00 0.00 C ATOM 0 H THR A 13 40.385 27.802 51.095 1.00 0.00 H new ATOM 0 HA THR A 13 40.055 25.362 52.494 1.00 0.00 H new ATOM 0 HB THR A 13 42.108 26.024 53.838 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.599 28.091 51.923 1.00 0.00 H new ATOM 0 HG21 THR A 13 43.828 25.718 51.989 1.00 0.00 H new ATOM 0 HG22 THR A 13 42.477 24.563 51.908 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.520 25.961 50.807 1.00 0.00 H new ATOM 213 N THR A 14 39.934 25.874 55.000 1.00 0.00 N ATOM 214 CA THR A 14 39.786 26.043 56.432 1.00 0.00 C ATOM 215 C THR A 14 40.986 25.281 57.084 1.00 0.00 C ATOM 216 O THR A 14 41.357 24.171 56.700 1.00 0.00 O ATOM 217 CB THR A 14 38.472 25.529 57.006 1.00 0.00 C ATOM 218 OG1 THR A 14 38.252 24.124 56.848 1.00 0.00 O ATOM 219 CG2 THR A 14 37.288 26.262 56.352 1.00 0.00 C ATOM 0 H THR A 14 40.064 24.897 54.736 1.00 0.00 H new ATOM 0 HA THR A 14 39.778 27.110 56.652 1.00 0.00 H new ATOM 0 HB THR A 14 38.543 25.726 58.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.390 23.881 57.245 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.353 25.888 56.769 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.370 27.331 56.547 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.301 26.087 55.276 1.00 0.00 H new ATOM 227 N GLU A 15 41.592 25.933 58.133 1.00 0.00 N ATOM 228 CA GLU A 15 42.835 25.468 58.761 1.00 0.00 C ATOM 229 C GLU A 15 42.470 24.671 60.057 1.00 0.00 C ATOM 230 O GLU A 15 41.921 25.208 61.018 1.00 0.00 O ATOM 231 CB GLU A 15 43.750 26.664 59.090 1.00 0.00 C ATOM 232 CG GLU A 15 45.118 26.353 59.733 1.00 0.00 C ATOM 233 CD GLU A 15 45.958 25.455 58.836 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.909 24.243 58.802 1.00 0.00 O ATOM 235 OE2 GLU A 15 46.791 26.167 58.077 1.00 0.00 O ATOM 0 H GLU A 15 41.219 26.787 58.548 1.00 0.00 H new ATOM 0 HA GLU A 15 43.378 24.817 58.076 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.929 27.216 58.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.206 27.330 59.760 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.653 27.283 59.923 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.967 25.869 60.698 1.00 0.00 H new ATOM 243 N THR A 16 42.810 23.321 60.070 1.00 0.00 N ATOM 244 CA THR A 16 42.659 22.471 61.269 1.00 0.00 C ATOM 245 C THR A 16 43.884 22.897 62.146 1.00 0.00 C ATOM 246 O THR A 16 45.002 22.418 61.961 1.00 0.00 O ATOM 247 CB THR A 16 42.662 20.939 60.987 1.00 0.00 C ATOM 248 OG1 THR A 16 41.479 20.600 60.260 1.00 0.00 O ATOM 249 CG2 THR A 16 42.751 20.073 62.260 1.00 0.00 C ATOM 0 H THR A 16 43.184 22.829 59.259 1.00 0.00 H new ATOM 0 HA THR A 16 41.689 22.620 61.742 1.00 0.00 H new ATOM 0 HB THR A 16 43.560 20.724 60.408 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.473 19.637 60.076 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.748 19.019 61.984 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.672 20.305 62.795 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.896 20.282 62.903 1.00 0.00 H new ATOM 257 N CYS A 17 43.648 23.819 63.159 1.00 0.00 N ATOM 258 CA CYS A 17 44.761 24.436 63.911 1.00 0.00 C ATOM 259 C CYS A 17 44.703 24.103 65.432 1.00 0.00 C ATOM 260 O CYS A 17 43.642 23.946 66.036 1.00 0.00 O ATOM 261 CB CYS A 17 44.688 25.947 63.747 1.00 0.00 C ATOM 262 SG CYS A 17 46.132 26.916 64.261 1.00 0.00 S ATOM 0 H CYS A 17 42.719 24.127 63.448 1.00 0.00 H new ATOM 0 HA CYS A 17 45.692 24.034 63.511 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.495 26.162 62.696 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.825 26.305 64.309 1.00 0.00 H new ATOM 267 N GLN A 18 45.936 24.083 66.048 1.00 0.00 N ATOM 268 CA GLN A 18 46.166 23.807 67.465 1.00 0.00 C ATOM 269 C GLN A 18 46.421 25.187 68.151 1.00 0.00 C ATOM 270 O GLN A 18 47.501 25.480 68.660 1.00 0.00 O ATOM 271 CB GLN A 18 47.297 22.793 67.713 1.00 0.00 C ATOM 272 CG GLN A 18 47.402 22.334 69.188 1.00 0.00 C ATOM 273 CD GLN A 18 48.790 21.785 69.496 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.060 20.599 69.521 1.00 0.00 O ATOM 275 NE2 GLN A 18 49.716 22.738 69.749 1.00 0.00 N ATOM 0 H GLN A 18 46.800 24.266 65.537 1.00 0.00 H new ATOM 0 HA GLN A 18 45.293 23.320 67.900 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.137 21.920 67.080 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.245 23.237 67.411 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.185 23.173 69.849 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.652 21.568 69.388 1.00 0.00 H new ATOM 0 HE21 GLN A 18 49.455 23.724 69.719 1.00 0.00 H new ATOM 0 HE22 GLN A 18 50.675 22.471 69.969 1.00 0.00 H new ATOM 284 N GLU A 19 45.347 26.048 68.108 1.00 0.00 N ATOM 285 CA GLU A 19 45.287 27.345 68.776 1.00 0.00 C ATOM 286 C GLU A 19 43.760 27.390 69.145 1.00 0.00 C ATOM 287 O GLU A 19 42.868 27.462 68.294 1.00 0.00 O ATOM 288 CB GLU A 19 45.754 28.562 67.956 1.00 0.00 C ATOM 289 CG GLU A 19 47.274 28.633 67.668 1.00 0.00 C ATOM 290 CD GLU A 19 48.053 28.947 68.947 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.036 30.024 69.515 1.00 0.00 O ATOM 292 OE2 GLU A 19 48.771 27.900 69.366 1.00 0.00 O ATOM 0 H GLU A 19 44.496 25.830 67.590 1.00 0.00 H new ATOM 0 HA GLU A 19 45.982 27.422 69.612 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.222 28.562 67.005 1.00 0.00 H new ATOM 0 HB3 GLU A 19 45.460 29.468 68.485 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.615 27.685 67.252 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.472 29.399 66.918 1.00 0.00 H new ATOM 300 N ASP A 20 43.497 27.313 70.505 1.00 0.00 N ATOM 301 CA ASP A 20 42.218 27.067 71.170 1.00 0.00 C ATOM 302 C ASP A 20 41.074 28.134 70.914 1.00 0.00 C ATOM 303 O ASP A 20 40.035 28.050 71.572 1.00 0.00 O ATOM 304 CB ASP A 20 41.775 25.589 71.202 1.00 0.00 C ATOM 305 CG ASP A 20 41.559 24.902 69.837 1.00 0.00 C ATOM 306 OD1 ASP A 20 42.575 24.587 69.210 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.394 24.774 69.458 1.00 0.00 O ATOM 0 H ASP A 20 44.248 27.434 71.184 1.00 0.00 H new ATOM 0 HA ASP A 20 42.453 27.271 72.215 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.524 25.021 71.754 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.845 25.524 71.767 1.00 0.00 H new ATOM 312 N SER A 21 41.266 29.184 70.037 1.00 0.00 N ATOM 313 CA SER A 21 40.307 30.258 69.779 1.00 0.00 C ATOM 314 C SER A 21 40.666 30.901 68.390 1.00 0.00 C ATOM 315 O SER A 21 41.808 30.776 67.934 1.00 0.00 O ATOM 316 CB SER A 21 40.332 31.370 70.859 1.00 0.00 C ATOM 317 OG SER A 21 39.272 32.299 70.669 1.00 0.00 O ATOM 0 H SER A 21 42.122 29.283 69.491 1.00 0.00 H new ATOM 0 HA SER A 21 39.308 29.823 69.791 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.251 30.920 71.849 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.288 31.893 70.823 1.00 0.00 H new ATOM 0 HG SER A 21 38.654 31.955 69.991 1.00 0.00 H new ATOM 323 N CYS A 22 39.683 31.597 67.694 1.00 0.00 N ATOM 324 CA CYS A 22 40.028 32.110 66.374 1.00 0.00 C ATOM 325 C CYS A 22 39.292 33.417 65.957 1.00 0.00 C ATOM 326 O CYS A 22 38.159 33.705 66.328 1.00 0.00 O ATOM 327 CB CYS A 22 39.860 30.991 65.317 1.00 0.00 C ATOM 328 SG CYS A 22 38.141 30.516 64.983 1.00 0.00 S ATOM 0 H CYS A 22 38.735 31.785 68.020 1.00 0.00 H new ATOM 0 HA CYS A 22 41.074 32.411 66.431 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.320 31.319 64.385 1.00 0.00 H new ATOM 0 HB3 CYS A 22 40.408 30.110 65.650 1.00 0.00 H new ATOM 333 N TYR A 23 40.016 34.226 65.096 1.00 0.00 N ATOM 334 CA TYR A 23 39.644 35.634 64.879 1.00 0.00 C ATOM 335 C TYR A 23 39.250 35.992 63.429 1.00 0.00 C ATOM 336 O TYR A 23 39.759 35.433 62.460 1.00 0.00 O ATOM 337 CB TYR A 23 40.838 36.559 65.289 1.00 0.00 C ATOM 338 CG TYR A 23 42.101 36.242 64.509 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.354 36.803 63.260 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.048 35.350 65.010 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.507 36.523 62.541 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.202 35.044 64.307 1.00 0.00 C ATOM 343 CZ TYR A 23 44.452 35.631 63.053 1.00 0.00 C ATOM 344 OH TYR A 23 45.594 35.294 62.392 1.00 0.00 O ATOM 0 H TYR A 23 40.832 33.916 64.568 1.00 0.00 H new ATOM 0 HA TYR A 23 38.759 35.789 65.495 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.562 37.601 65.124 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.033 36.446 66.355 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.627 37.480 62.836 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.878 34.886 65.970 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.674 36.995 61.584 1.00 0.00 H new ATOM 0 HE2 TYR A 23 44.915 34.349 64.725 1.00 0.00 H new ATOM 0 HH TYR A 23 46.109 34.658 62.932 1.00 0.00 H new ATOM 354 N LYS A 24 38.326 37.024 63.343 1.00 0.00 N ATOM 355 CA LYS A 24 37.742 37.533 62.106 1.00 0.00 C ATOM 356 C LYS A 24 38.541 38.826 61.782 1.00 0.00 C ATOM 357 O LYS A 24 38.509 39.852 62.461 1.00 0.00 O ATOM 358 CB LYS A 24 36.247 37.854 62.266 1.00 0.00 C ATOM 359 CG LYS A 24 35.407 36.723 62.877 1.00 0.00 C ATOM 360 CD LYS A 24 33.931 37.096 63.043 1.00 0.00 C ATOM 361 CE LYS A 24 33.102 35.876 63.429 1.00 0.00 C ATOM 362 NZ LYS A 24 32.863 35.055 62.158 1.00 0.00 N ATOM 0 H LYS A 24 37.982 37.512 64.170 1.00 0.00 H new ATOM 0 HA LYS A 24 37.804 36.791 61.310 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.145 38.741 62.891 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.837 38.104 61.288 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.484 35.839 62.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.820 36.456 63.850 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.830 37.866 63.808 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.552 37.519 62.113 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.624 35.280 64.177 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.154 36.182 63.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.879 34.719 62.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.040 35.649 61.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.507 34.239 62.146 1.00 0.00 H new ATOM 376 N ASN A 25 39.265 38.752 60.622 1.00 0.00 N ATOM 377 CA ASN A 25 40.143 39.811 60.121 1.00 0.00 C ATOM 378 C ASN A 25 39.376 40.257 58.814 1.00 0.00 C ATOM 379 O ASN A 25 39.214 39.481 57.873 1.00 0.00 O ATOM 380 CB ASN A 25 41.524 39.207 59.883 1.00 0.00 C ATOM 381 CG ASN A 25 42.449 40.116 59.116 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.057 40.315 57.846 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.456 40.621 59.571 1.00 0.00 N flip ATOM 0 H ASN A 25 39.241 37.934 60.014 1.00 0.00 H new ATOM 0 HA ASN A 25 40.327 40.664 60.774 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.978 38.966 60.844 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.414 38.269 59.338 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.721 40.446 60.540 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.036 41.220 58.984 1.00 0.00 H new ATOM 390 N ILE A 26 38.882 41.554 58.779 1.00 0.00 N ATOM 391 CA ILE A 26 37.896 42.073 57.803 1.00 0.00 C ATOM 392 C ILE A 26 38.396 43.384 57.115 1.00 0.00 C ATOM 393 O ILE A 26 37.661 44.332 56.851 1.00 0.00 O ATOM 394 CB ILE A 26 36.518 42.236 58.481 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.260 43.421 59.456 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.118 40.907 59.146 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.285 43.696 60.562 1.00 0.00 C ATOM 0 H ILE A 26 39.178 42.262 59.450 1.00 0.00 H new ATOM 0 HA ILE A 26 37.782 41.346 56.999 1.00 0.00 H new ATOM 0 HB ILE A 26 35.885 42.518 57.640 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.167 44.328 58.858 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.295 43.253 59.933 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.146 41.018 59.626 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.062 40.124 58.390 1.00 0.00 H new ATOM 0 HG23 ILE A 26 36.863 40.636 59.894 1.00 0.00 H new ATOM 0 HD11 ILE A 26 36.961 44.552 61.154 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.369 42.820 61.206 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.255 43.912 60.114 1.00 0.00 H new ATOM 409 N TRP A 27 39.718 43.334 56.754 1.00 0.00 N ATOM 410 CA TRP A 27 40.512 44.477 56.318 1.00 0.00 C ATOM 411 C TRP A 27 41.539 43.862 55.318 1.00 0.00 C ATOM 412 O TRP A 27 41.341 43.867 54.107 1.00 0.00 O ATOM 413 CB TRP A 27 41.244 45.314 57.449 1.00 0.00 C ATOM 414 CG TRP A 27 41.167 44.697 58.815 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.320 43.318 59.058 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.821 45.218 60.058 1.00 0.00 C ATOM 417 NE1 TRP A 27 40.967 42.955 60.322 1.00 0.00 N ATOM 418 CE2 TRP A 27 40.661 44.149 60.944 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.468 46.508 60.515 1.00 0.00 C ATOM 420 CZ2 TRP A 27 40.117 44.237 62.184 1.00 0.00 C ATOM 421 CZ3 TRP A 27 39.909 46.642 61.778 1.00 0.00 C ATOM 422 CH2 TRP A 27 39.724 45.514 62.605 1.00 0.00 C ATOM 0 H TRP A 27 40.252 42.465 56.767 1.00 0.00 H new ATOM 0 HA TRP A 27 39.848 45.228 55.890 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.292 45.435 57.175 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.807 46.312 57.488 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.681 42.620 58.317 1.00 0.00 H new ATOM 0 HE1 TRP A 27 40.936 42.016 60.719 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.631 47.375 59.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 39.993 43.368 62.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 39.613 47.619 62.131 1.00 0.00 H new ATOM 0 HH2 TRP A 27 39.272 45.637 63.578 1.00 0.00 H new ATOM 433 N THR A 28 42.665 43.301 55.900 1.00 0.00 N ATOM 434 CA THR A 28 43.811 42.749 55.181 1.00 0.00 C ATOM 435 C THR A 28 44.548 44.006 54.563 1.00 0.00 C ATOM 436 O THR A 28 45.424 44.592 55.193 1.00 0.00 O ATOM 437 CB THR A 28 43.590 41.595 54.179 1.00 0.00 C ATOM 438 OG1 THR A 28 44.823 41.162 53.600 1.00 0.00 O ATOM 439 CG2 THR A 28 42.787 40.394 54.704 1.00 0.00 C ATOM 0 H THR A 28 42.771 43.234 56.912 1.00 0.00 H new ATOM 0 HA THR A 28 44.416 42.193 55.898 1.00 0.00 H new ATOM 0 HB THR A 28 42.956 42.037 53.411 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.948 41.600 52.732 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.694 39.646 53.917 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.302 39.958 55.560 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.794 40.725 55.009 1.00 0.00 H new ATOM 447 N PHE A 29 44.156 44.408 53.298 1.00 0.00 N ATOM 448 CA PHE A 29 44.750 45.500 52.531 1.00 0.00 C ATOM 449 C PHE A 29 43.924 45.521 51.201 1.00 0.00 C ATOM 450 O PHE A 29 43.422 46.555 50.772 1.00 0.00 O ATOM 451 CB PHE A 29 46.254 45.372 52.247 1.00 0.00 C ATOM 452 CG PHE A 29 46.782 46.553 51.463 1.00 0.00 C ATOM 453 CD1 PHE A 29 47.176 47.731 52.107 1.00 0.00 C ATOM 454 CD2 PHE A 29 46.908 46.488 50.075 1.00 0.00 C ATOM 455 CE1 PHE A 29 47.664 48.822 51.386 1.00 0.00 C ATOM 456 CE2 PHE A 29 47.394 47.568 49.338 1.00 0.00 C ATOM 457 CZ PHE A 29 47.771 48.747 49.992 1.00 0.00 C ATOM 0 H PHE A 29 43.395 43.948 52.798 1.00 0.00 H new ATOM 0 HA PHE A 29 44.699 46.424 53.107 1.00 0.00 H new ATOM 0 HB2 PHE A 29 46.796 45.290 53.189 1.00 0.00 H new ATOM 0 HB3 PHE A 29 46.442 44.454 51.691 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.101 47.797 53.182 1.00 0.00 H new ATOM 0 HD2 PHE A 29 46.623 45.582 49.560 1.00 0.00 H new ATOM 0 HE1 PHE A 29 47.959 49.723 51.903 1.00 0.00 H new ATOM 0 HE2 PHE A 29 47.479 47.495 48.264 1.00 0.00 H new ATOM 0 HZ PHE A 29 48.141 49.590 49.427 1.00 0.00 H new ATOM 467 N ASP A 30 43.755 44.282 50.605 1.00 0.00 N ATOM 468 CA ASP A 30 42.912 43.885 49.491 1.00 0.00 C ATOM 469 C ASP A 30 41.368 44.030 49.813 1.00 0.00 C ATOM 470 O ASP A 30 40.572 43.801 48.902 1.00 0.00 O ATOM 471 CB ASP A 30 43.296 42.450 49.055 1.00 0.00 C ATOM 472 CG ASP A 30 43.560 41.341 50.128 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.290 41.663 51.073 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.067 40.232 49.898 1.00 0.00 O ATOM 0 H ASP A 30 44.277 43.480 50.958 1.00 0.00 H new ATOM 0 HA ASP A 30 43.089 44.565 48.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.500 42.087 48.405 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.195 42.528 48.444 1.00 0.00 H new ATOM 479 N ASN A 31 40.905 44.435 51.065 1.00 0.00 N ATOM 480 CA ASN A 31 39.511 44.735 51.414 1.00 0.00 C ATOM 481 C ASN A 31 38.712 43.395 51.431 1.00 0.00 C ATOM 482 O ASN A 31 37.864 43.169 50.569 1.00 0.00 O ATOM 483 CB ASN A 31 38.884 45.848 50.561 1.00 0.00 C ATOM 484 CG ASN A 31 39.701 47.135 50.657 1.00 0.00 C ATOM 485 OD1 ASN A 31 40.069 47.614 51.715 1.00 0.00 O ATOM 486 ND2 ASN A 31 39.970 47.723 49.470 1.00 0.00 N ATOM 0 H ASN A 31 41.537 44.554 51.857 1.00 0.00 H new ATOM 0 HA ASN A 31 39.474 45.168 52.414 1.00 0.00 H new ATOM 0 HB2 ASN A 31 38.826 45.526 49.521 1.00 0.00 H new ATOM 0 HB3 ASN A 31 37.863 46.035 50.894 1.00 0.00 H new ATOM 0 HD21 ASN A 31 40.497 48.596 49.441 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.646 47.294 48.603 1.00 0.00 H new ATOM 493 N ILE A 32 38.934 42.527 52.499 1.00 0.00 N ATOM 494 CA ILE A 32 38.290 41.213 52.465 1.00 0.00 C ATOM 495 C ILE A 32 38.251 40.499 53.855 1.00 0.00 C ATOM 496 O ILE A 32 39.010 40.819 54.768 1.00 0.00 O ATOM 497 CB ILE A 32 39.000 40.247 51.467 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.120 39.119 50.881 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.306 39.699 52.085 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.919 39.625 50.062 1.00 0.00 C ATOM 0 H ILE A 32 39.512 42.723 53.316 1.00 0.00 H new ATOM 0 HA ILE A 32 37.269 41.422 52.145 1.00 0.00 H new ATOM 0 HB ILE A 32 39.236 40.859 50.597 1.00 0.00 H new ATOM 0 HG12 ILE A 32 38.737 38.483 50.247 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.754 38.496 51.697 1.00 0.00 H new ATOM 0 HG21 ILE A 32 40.790 39.027 51.376 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.976 40.528 52.314 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.075 39.156 53.001 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.351 38.774 49.685 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.278 40.237 50.697 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.276 40.223 49.224 1.00 0.00 H new ATOM 512 N ILE A 33 37.333 39.462 53.962 1.00 0.00 N ATOM 513 CA ILE A 33 37.260 38.608 55.161 1.00 0.00 C ATOM 514 C ILE A 33 38.209 37.387 54.853 1.00 0.00 C ATOM 515 O ILE A 33 37.852 36.423 54.184 1.00 0.00 O ATOM 516 CB ILE A 33 35.852 38.161 55.597 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.808 39.314 55.676 1.00 0.00 C ATOM 518 CG2 ILE A 33 35.922 37.341 56.904 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.415 38.898 56.191 1.00 0.00 C ATOM 0 H ILE A 33 36.659 39.223 53.235 1.00 0.00 H new ATOM 0 HA ILE A 33 37.574 39.188 56.029 1.00 0.00 H new ATOM 0 HB ILE A 33 35.478 37.515 54.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.201 40.096 56.326 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.696 39.751 54.684 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.917 37.035 57.195 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.540 36.457 56.746 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.358 37.952 57.694 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.759 39.768 56.210 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.994 38.141 55.530 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.506 38.490 57.198 1.00 0.00 H new ATOM 531 N ARG A 34 39.493 37.460 55.365 1.00 0.00 N ATOM 532 CA ARG A 34 40.516 36.423 55.170 1.00 0.00 C ATOM 533 C ARG A 34 41.294 36.489 56.509 1.00 0.00 C ATOM 534 O ARG A 34 41.878 37.490 56.913 1.00 0.00 O ATOM 535 CB ARG A 34 41.480 36.573 53.989 1.00 0.00 C ATOM 536 CG ARG A 34 42.573 35.479 53.997 1.00 0.00 C ATOM 537 CD ARG A 34 43.308 35.276 52.663 1.00 0.00 C ATOM 538 NE ARG A 34 43.824 36.467 51.945 1.00 0.00 N ATOM 539 CZ ARG A 34 44.380 37.536 52.488 1.00 0.00 C ATOM 540 NH1 ARG A 34 44.938 37.480 53.671 1.00 0.00 N ATOM 541 NH2 ARG A 34 44.379 38.667 51.839 1.00 0.00 N ATOM 0 H ARG A 34 39.821 38.250 55.920 1.00 0.00 H new ATOM 0 HA ARG A 34 40.031 35.480 54.919 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.921 36.521 53.055 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.949 37.556 54.026 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.307 35.728 54.763 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.116 34.534 54.289 1.00 0.00 H new ATOM 0 HD2 ARG A 34 44.151 34.611 52.848 1.00 0.00 H new ATOM 0 HD3 ARG A 34 42.631 34.752 51.989 1.00 0.00 H new ATOM 0 HE ARG A 34 43.741 36.460 50.928 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.948 36.601 54.189 1.00 0.00 H new ATOM 0 HH12 ARG A 34 45.362 38.315 54.075 1.00 0.00 H new ATOM 0 HH21 ARG A 34 43.950 38.725 50.915 1.00 0.00 H new ATOM 0 HH22 ARG A 34 44.807 39.494 52.255 1.00 0.00 H new ATOM 555 N ARG A 35 41.293 35.297 57.214 1.00 0.00 N ATOM 556 CA ARG A 35 41.453 35.343 58.660 1.00 0.00 C ATOM 557 C ARG A 35 42.138 34.080 59.245 1.00 0.00 C ATOM 558 O ARG A 35 42.714 33.304 58.485 1.00 0.00 O ATOM 559 CB ARG A 35 40.027 35.606 59.196 1.00 0.00 C ATOM 560 CG ARG A 35 38.968 34.577 58.726 1.00 0.00 C ATOM 561 CD ARG A 35 37.526 34.605 59.280 1.00 0.00 C ATOM 562 NE ARG A 35 37.150 34.219 60.653 1.00 0.00 N ATOM 563 CZ ARG A 35 37.578 33.194 61.376 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.842 32.894 61.477 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.683 32.477 62.003 1.00 0.00 N ATOM 0 H ARG A 35 41.188 34.368 56.807 1.00 0.00 H new ATOM 0 HA ARG A 35 42.140 36.129 58.974 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.056 35.608 60.286 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.712 36.602 58.884 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.895 34.668 57.642 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.371 33.586 58.936 1.00 0.00 H new ATOM 0 HD2 ARG A 35 37.171 35.627 59.146 1.00 0.00 H new ATOM 0 HD3 ARG A 35 36.936 33.973 58.617 1.00 0.00 H new ATOM 0 HE ARG A 35 36.467 34.824 61.109 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.540 33.456 60.990 1.00 0.00 H new ATOM 0 HH12 ARG A 35 39.133 32.097 62.043 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.694 32.714 61.926 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.974 31.680 62.569 1.00 0.00 H new ATOM 579 N GLY A 36 42.140 33.915 60.631 1.00 0.00 N ATOM 580 CA GLY A 36 42.967 32.775 61.069 1.00 0.00 C ATOM 581 C GLY A 36 42.865 32.284 62.520 1.00 0.00 C ATOM 582 O GLY A 36 42.033 32.746 63.292 1.00 0.00 O ATOM 0 H GLY A 36 41.656 34.469 61.338 1.00 0.00 H new ATOM 0 HA2 GLY A 36 42.731 31.931 60.421 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.009 33.037 60.885 1.00 0.00 H new ATOM 586 N CYS A 37 43.740 31.254 62.834 1.00 0.00 N ATOM 587 CA CYS A 37 43.771 30.620 64.162 1.00 0.00 C ATOM 588 C CYS A 37 44.852 31.302 65.066 1.00 0.00 C ATOM 589 O CYS A 37 46.038 31.353 64.745 1.00 0.00 O ATOM 590 CB CYS A 37 44.064 29.091 64.124 1.00 0.00 C ATOM 591 SG CYS A 37 45.580 28.617 63.221 1.00 0.00 S ATOM 0 H CYS A 37 44.415 30.868 62.174 1.00 0.00 H new ATOM 0 HA CYS A 37 42.769 30.755 64.570 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.140 28.725 65.148 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.214 28.585 63.667 1.00 0.00 H new ATOM 596 N GLY A 38 44.400 31.903 66.241 1.00 0.00 N ATOM 597 CA GLY A 38 45.412 32.394 67.171 1.00 0.00 C ATOM 598 C GLY A 38 44.654 32.791 68.453 1.00 0.00 C ATOM 599 O GLY A 38 44.453 32.019 69.385 1.00 0.00 O ATOM 0 H GLY A 38 43.426 32.034 66.516 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.156 31.625 67.380 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.945 33.248 66.753 1.00 0.00 H new ATOM 603 N CYS A 39 44.208 34.100 68.438 1.00 0.00 N ATOM 604 CA CYS A 39 43.394 34.711 69.486 1.00 0.00 C ATOM 605 C CYS A 39 44.284 35.305 70.618 1.00 0.00 C ATOM 606 O CYS A 39 44.185 36.480 70.966 1.00 0.00 O ATOM 607 CB CYS A 39 42.424 35.718 68.861 1.00 0.00 C ATOM 608 SG CYS A 39 41.466 36.622 70.111 1.00 0.00 S ATOM 0 H CYS A 39 44.423 34.742 67.675 1.00 0.00 H new ATOM 0 HA CYS A 39 42.786 33.950 69.975 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.984 36.428 68.252 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.741 35.194 68.192 1.00 0.00 H new ATOM 613 N PHE A 40 45.158 34.415 71.214 1.00 0.00 N ATOM 614 CA PHE A 40 45.912 34.735 72.432 1.00 0.00 C ATOM 615 C PHE A 40 47.148 35.603 71.966 1.00 0.00 C ATOM 616 O PHE A 40 48.277 35.127 71.893 1.00 0.00 O ATOM 617 CB PHE A 40 46.245 33.405 73.163 1.00 0.00 C ATOM 618 CG PHE A 40 45.092 32.396 73.125 1.00 0.00 C ATOM 619 CD1 PHE A 40 43.793 32.713 73.549 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.290 31.135 72.548 1.00 0.00 C ATOM 621 CE1 PHE A 40 42.733 31.819 73.391 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.243 30.229 72.392 1.00 0.00 C ATOM 623 CZ PHE A 40 42.959 30.560 72.829 1.00 0.00 C ATOM 0 H PHE A 40 45.339 33.479 70.851 1.00 0.00 H new ATOM 0 HA PHE A 40 45.368 35.326 73.169 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.128 32.957 72.707 1.00 0.00 H new ATOM 0 HB3 PHE A 40 46.498 33.621 74.201 1.00 0.00 H new ATOM 0 HD1 PHE A 40 43.609 33.673 74.009 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.280 30.858 72.216 1.00 0.00 H new ATOM 0 HE1 PHE A 40 41.738 32.100 73.703 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.425 29.269 71.932 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.150 29.851 72.734 1.00 0.00 H new ATOM 633 N THR A 41 46.887 36.942 71.679 1.00 0.00 N ATOM 634 CA THR A 41 47.894 37.901 71.161 1.00 0.00 C ATOM 635 C THR A 41 48.513 38.729 72.361 1.00 0.00 C ATOM 636 O THR A 41 47.785 39.297 73.175 1.00 0.00 O ATOM 637 CB THR A 41 47.314 38.950 70.161 1.00 0.00 C ATOM 638 OG1 THR A 41 46.255 39.751 70.694 1.00 0.00 O ATOM 639 CG2 THR A 41 48.393 39.816 69.490 1.00 0.00 C ATOM 0 H THR A 41 45.966 37.361 71.809 1.00 0.00 H new ATOM 0 HA THR A 41 48.630 37.289 70.641 1.00 0.00 H new ATOM 0 HB THR A 41 46.863 38.339 69.379 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.414 39.911 71.648 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.920 40.523 68.808 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.947 40.363 70.253 1.00 0.00 H new ATOM 0 HG23 THR A 41 49.078 39.177 68.933 1.00 0.00 H new ATOM 647 N PRO A 42 49.899 38.909 72.404 1.00 0.00 N ATOM 648 CA PRO A 42 50.521 39.766 73.433 1.00 0.00 C ATOM 649 C PRO A 42 50.091 41.266 73.304 1.00 0.00 C ATOM 650 O PRO A 42 49.955 41.804 72.205 1.00 0.00 O ATOM 651 CB PRO A 42 52.032 39.641 73.172 1.00 0.00 C ATOM 652 CG PRO A 42 52.150 38.178 72.720 1.00 0.00 C ATOM 653 CD PRO A 42 50.911 38.018 71.828 1.00 0.00 C ATOM 0 HA PRO A 42 50.219 39.454 74.433 1.00 0.00 H new ATOM 0 HB2 PRO A 42 52.374 40.335 72.404 1.00 0.00 H new ATOM 0 HB3 PRO A 42 52.620 39.841 74.068 1.00 0.00 H new ATOM 0 HG2 PRO A 42 53.074 37.994 72.172 1.00 0.00 H new ATOM 0 HG3 PRO A 42 52.137 37.488 73.564 1.00 0.00 H new ATOM 0 HD2 PRO A 42 51.132 38.290 70.796 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.565 36.985 71.818 1.00 0.00 H new ATOM 661 N ARG A 43 49.941 41.987 74.486 1.00 0.00 N ATOM 662 CA ARG A 43 49.498 43.395 74.444 1.00 0.00 C ATOM 663 C ARG A 43 50.767 44.314 74.302 1.00 0.00 C ATOM 664 O ARG A 43 51.239 44.897 75.278 1.00 0.00 O ATOM 665 CB ARG A 43 48.646 43.814 75.664 1.00 0.00 C ATOM 666 CG ARG A 43 48.046 45.234 75.499 1.00 0.00 C ATOM 667 CD ARG A 43 47.828 46.006 76.818 1.00 0.00 C ATOM 668 NE ARG A 43 47.746 47.490 76.697 1.00 0.00 N ATOM 669 CZ ARG A 43 48.560 48.274 76.001 1.00 0.00 C ATOM 670 NH1 ARG A 43 49.792 47.932 75.725 1.00 0.00 N ATOM 671 NH2 ARG A 43 48.117 49.425 75.569 1.00 0.00 N ATOM 0 H ARG A 43 50.117 41.616 75.420 1.00 0.00 H new ATOM 0 HA ARG A 43 48.840 43.511 73.583 1.00 0.00 H new ATOM 0 HB2 ARG A 43 47.839 43.095 75.806 1.00 0.00 H new ATOM 0 HB3 ARG A 43 49.262 43.784 76.563 1.00 0.00 H new ATOM 0 HG2 ARG A 43 48.706 45.819 74.858 1.00 0.00 H new ATOM 0 HG3 ARG A 43 47.090 45.151 74.982 1.00 0.00 H new ATOM 0 HD2 ARG A 43 46.908 45.647 77.279 1.00 0.00 H new ATOM 0 HD3 ARG A 43 48.643 45.761 77.499 1.00 0.00 H new ATOM 0 HE ARG A 43 46.987 47.949 77.200 1.00 0.00 H new ATOM 0 HH11 ARG A 43 50.157 47.036 76.047 1.00 0.00 H new ATOM 0 HH12 ARG A 43 50.388 48.562 75.187 1.00 0.00 H new ATOM 0 HH21 ARG A 43 47.158 49.710 75.768 1.00 0.00 H new ATOM 0 HH22 ARG A 43 48.730 50.039 75.033 1.00 0.00 H new ATOM 685 N GLY A 44 51.283 44.486 73.023 1.00 0.00 N ATOM 686 CA GLY A 44 52.392 45.416 72.721 1.00 0.00 C ATOM 687 C GLY A 44 51.913 46.613 71.857 1.00 0.00 C ATOM 688 O GLY A 44 52.656 47.056 70.984 1.00 0.00 O ATOM 0 H GLY A 44 50.933 43.984 72.207 1.00 0.00 H new ATOM 0 HA2 GLY A 44 52.821 45.787 73.652 1.00 0.00 H new ATOM 0 HA3 GLY A 44 53.184 44.881 72.196 1.00 0.00 H new ATOM 692 N ASP A 45 50.659 47.140 72.115 1.00 0.00 N ATOM 693 CA ASP A 45 50.048 48.250 71.380 1.00 0.00 C ATOM 694 C ASP A 45 49.931 47.845 69.861 1.00 0.00 C ATOM 695 O ASP A 45 50.085 48.662 68.957 1.00 0.00 O ATOM 696 CB ASP A 45 50.625 49.662 71.677 1.00 0.00 C ATOM 697 CG ASP A 45 50.329 49.988 73.168 1.00 0.00 C ATOM 698 OD1 ASP A 45 51.142 49.567 73.996 1.00 0.00 O ATOM 699 OD2 ASP A 45 49.244 50.540 73.382 1.00 0.00 O ATOM 0 H ASP A 45 50.059 46.779 72.857 1.00 0.00 H new ATOM 0 HA ASP A 45 49.038 48.400 71.763 1.00 0.00 H new ATOM 0 HB2 ASP A 45 51.698 49.685 71.486 1.00 0.00 H new ATOM 0 HB3 ASP A 45 50.169 50.407 71.025 1.00 0.00 H new ATOM 704 N MET A 46 49.533 46.539 69.623 1.00 0.00 N ATOM 705 CA MET A 46 49.233 45.945 68.312 1.00 0.00 C ATOM 706 C MET A 46 47.768 45.437 68.523 1.00 0.00 C ATOM 707 O MET A 46 47.552 44.326 69.008 1.00 0.00 O ATOM 708 CB MET A 46 50.186 44.815 67.866 1.00 0.00 C ATOM 709 CG MET A 46 49.747 43.986 66.634 1.00 0.00 C ATOM 710 SD MET A 46 49.074 44.966 65.259 1.00 0.00 S ATOM 711 CE MET A 46 48.985 43.659 64.002 1.00 0.00 C ATOM 0 H MET A 46 49.417 45.870 70.384 1.00 0.00 H new ATOM 0 HA MET A 46 49.359 46.662 67.501 1.00 0.00 H new ATOM 0 HB2 MET A 46 51.160 45.255 67.651 1.00 0.00 H new ATOM 0 HB3 MET A 46 50.322 44.133 68.705 1.00 0.00 H new ATOM 0 HG2 MET A 46 50.604 43.418 66.272 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.995 43.263 66.949 1.00 0.00 H new ATOM 0 HE1 MET A 46 48.590 44.073 63.074 1.00 0.00 H new ATOM 0 HE2 MET A 46 49.982 43.257 63.824 1.00 0.00 H new ATOM 0 HE3 MET A 46 48.329 42.862 64.352 1.00 0.00 H new ATOM 721 N PRO A 47 46.722 46.285 68.156 1.00 0.00 N ATOM 722 CA PRO A 47 45.322 45.858 68.304 1.00 0.00 C ATOM 723 C PRO A 47 45.095 44.711 67.258 1.00 0.00 C ATOM 724 O PRO A 47 45.050 44.921 66.046 1.00 0.00 O ATOM 725 CB PRO A 47 44.468 47.112 68.009 1.00 0.00 C ATOM 726 CG PRO A 47 45.401 47.961 67.132 1.00 0.00 C ATOM 727 CD PRO A 47 46.765 47.699 67.775 1.00 0.00 C ATOM 0 HA PRO A 47 45.060 45.476 69.291 1.00 0.00 H new ATOM 0 HB2 PRO A 47 43.544 46.859 67.489 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.187 47.634 68.924 1.00 0.00 H new ATOM 0 HG2 PRO A 47 45.375 47.649 66.088 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.134 49.018 67.156 1.00 0.00 H new ATOM 0 HD2 PRO A 47 47.578 47.898 67.077 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.925 48.340 68.642 1.00 0.00 H new ATOM 735 N GLY A 48 44.944 43.421 67.757 1.00 0.00 N ATOM 736 CA GLY A 48 44.689 42.313 66.840 1.00 0.00 C ATOM 737 C GLY A 48 43.235 42.355 66.293 1.00 0.00 C ATOM 738 O GLY A 48 42.357 43.027 66.835 1.00 0.00 O ATOM 0 H GLY A 48 44.997 43.167 68.743 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.394 42.356 66.009 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.859 41.367 67.354 1.00 0.00 H new ATOM 742 N PRO A 49 42.982 41.504 65.229 1.00 0.00 N ATOM 743 CA PRO A 49 41.614 41.271 64.735 1.00 0.00 C ATOM 744 C PRO A 49 40.653 40.884 65.882 1.00 0.00 C ATOM 745 O PRO A 49 41.028 40.322 66.911 1.00 0.00 O ATOM 746 CB PRO A 49 41.781 40.098 63.779 1.00 0.00 C ATOM 747 CG PRO A 49 43.077 40.543 63.110 1.00 0.00 C ATOM 748 CD PRO A 49 43.936 40.863 64.331 1.00 0.00 C ATOM 0 HA PRO A 49 41.185 42.160 64.272 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.876 39.142 64.293 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.953 40.002 63.077 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.513 39.758 62.492 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.933 41.411 62.467 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.366 39.964 64.771 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.766 41.524 64.081 1.00 0.00 H new ATOM 756 N TYR A 50 39.329 41.163 65.622 1.00 0.00 N ATOM 757 CA TYR A 50 38.314 40.889 66.659 1.00 0.00 C ATOM 758 C TYR A 50 37.949 39.357 66.669 1.00 0.00 C ATOM 759 O TYR A 50 37.804 38.730 65.622 1.00 0.00 O ATOM 760 CB TYR A 50 37.046 41.812 66.594 1.00 0.00 C ATOM 761 CG TYR A 50 36.131 41.504 65.434 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.474 41.817 64.121 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.901 40.889 65.649 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.638 41.509 63.060 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.038 40.597 64.604 1.00 0.00 C ATOM 766 CZ TYR A 50 34.393 40.922 63.292 1.00 0.00 C ATOM 767 OH TYR A 50 33.543 40.650 62.242 1.00 0.00 O ATOM 0 H TYR A 50 38.972 41.555 64.750 1.00 0.00 H new ATOM 0 HA TYR A 50 38.770 41.147 67.615 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.486 41.711 67.524 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.367 42.851 66.526 1.00 0.00 H new ATOM 0 HD1 TYR A 50 37.414 42.312 63.925 1.00 0.00 H new ATOM 0 HD2 TYR A 50 34.611 40.632 66.657 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.951 41.724 62.049 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.091 40.118 64.804 1.00 0.00 H new ATOM 0 HH TYR A 50 32.721 40.241 62.584 1.00 0.00 H new ATOM 777 N CYS A 51 37.789 38.741 67.915 1.00 0.00 N ATOM 778 CA CYS A 51 37.801 37.263 68.014 1.00 0.00 C ATOM 779 C CYS A 51 36.531 36.535 68.563 1.00 0.00 C ATOM 780 O CYS A 51 35.705 37.100 69.272 1.00 0.00 O ATOM 781 CB CYS A 51 38.952 36.837 68.945 1.00 0.00 C ATOM 782 SG CYS A 51 40.490 37.773 68.719 1.00 0.00 S ATOM 0 H CYS A 51 37.660 39.235 68.798 1.00 0.00 H new ATOM 0 HA CYS A 51 37.887 36.963 66.970 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.625 36.945 69.979 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.159 35.779 68.785 1.00 0.00 H new ATOM 787 N CYS A 52 36.484 35.184 68.253 1.00 0.00 N ATOM 788 CA CYS A 52 35.427 34.273 68.686 1.00 0.00 C ATOM 789 C CYS A 52 36.024 32.898 69.148 1.00 0.00 C ATOM 790 O CYS A 52 37.014 32.399 68.621 1.00 0.00 O ATOM 791 CB CYS A 52 34.464 34.007 67.548 1.00 0.00 C ATOM 792 SG CYS A 52 32.866 33.351 68.085 1.00 0.00 S ATOM 0 H CYS A 52 37.200 34.726 67.689 1.00 0.00 H new ATOM 0 HA CYS A 52 34.909 34.747 69.520 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.300 34.934 66.999 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.921 33.302 66.854 1.00 0.00 H new ATOM 797 N GLU A 53 35.308 32.225 70.115 1.00 0.00 N ATOM 798 CA GLU A 53 35.797 30.972 70.737 1.00 0.00 C ATOM 799 C GLU A 53 34.790 29.825 70.428 1.00 0.00 C ATOM 800 O GLU A 53 34.401 29.059 71.308 1.00 0.00 O ATOM 801 CB GLU A 53 36.130 31.168 72.233 1.00 0.00 C ATOM 802 CG GLU A 53 34.965 31.358 73.231 1.00 0.00 C ATOM 803 CD GLU A 53 33.918 32.349 72.729 1.00 0.00 C ATOM 804 OE1 GLU A 53 34.016 33.557 72.751 1.00 0.00 O ATOM 805 OE2 GLU A 53 32.845 31.721 72.241 1.00 0.00 O ATOM 0 H GLU A 53 34.403 32.538 70.466 1.00 0.00 H new ATOM 0 HA GLU A 53 36.750 30.677 70.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.708 30.304 72.560 1.00 0.00 H new ATOM 0 HB3 GLU A 53 36.782 32.037 72.316 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.489 30.395 73.416 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.362 31.706 74.185 1.00 0.00 H new ATOM 813 N SER A 54 34.471 29.641 69.096 1.00 0.00 N ATOM 814 CA SER A 54 33.432 28.699 68.663 1.00 0.00 C ATOM 815 C SER A 54 33.797 28.080 67.278 1.00 0.00 C ATOM 816 O SER A 54 34.501 28.713 66.493 1.00 0.00 O ATOM 817 CB SER A 54 32.055 29.397 68.542 1.00 0.00 C ATOM 818 OG SER A 54 30.990 28.582 68.068 1.00 0.00 O ATOM 0 H SER A 54 34.927 30.139 68.332 1.00 0.00 H new ATOM 0 HA SER A 54 33.373 27.915 69.418 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.780 29.789 69.521 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.159 30.252 67.874 1.00 0.00 H new ATOM 0 HG SER A 54 30.166 29.111 68.029 1.00 0.00 H new ATOM 824 N ASP A 55 33.321 26.798 66.986 1.00 0.00 N ATOM 825 CA ASP A 55 33.663 26.212 65.671 1.00 0.00 C ATOM 826 C ASP A 55 33.050 27.185 64.612 1.00 0.00 C ATOM 827 O ASP A 55 31.865 27.523 64.637 1.00 0.00 O ATOM 828 CB ASP A 55 33.169 24.779 65.354 1.00 0.00 C ATOM 829 CG ASP A 55 33.739 24.300 63.982 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.939 24.522 63.788 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.945 23.777 63.196 1.00 0.00 O ATOM 0 H ASP A 55 32.751 26.218 67.602 1.00 0.00 H new ATOM 0 HA ASP A 55 34.748 26.105 65.663 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.482 24.096 66.144 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.079 24.760 65.329 1.00 0.00 H new ATOM 836 N LYS A 56 33.937 27.645 63.649 1.00 0.00 N ATOM 837 CA LYS A 56 33.608 28.536 62.549 1.00 0.00 C ATOM 838 C LYS A 56 33.369 29.979 63.098 1.00 0.00 C ATOM 839 O LYS A 56 34.177 30.872 62.852 1.00 0.00 O ATOM 840 CB LYS A 56 32.463 28.059 61.635 1.00 0.00 C ATOM 841 CG LYS A 56 32.686 26.647 61.047 1.00 0.00 C ATOM 842 CD LYS A 56 34.029 26.448 60.318 1.00 0.00 C ATOM 843 CE LYS A 56 34.330 24.987 59.991 1.00 0.00 C ATOM 844 NZ LYS A 56 34.508 24.189 61.303 1.00 0.00 N ATOM 0 H LYS A 56 34.921 27.375 63.651 1.00 0.00 H new ATOM 0 HA LYS A 56 34.472 28.535 61.884 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.532 28.064 62.201 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.343 28.769 60.817 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.617 25.919 61.855 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.876 26.428 60.351 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.021 27.026 59.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.833 26.847 60.937 1.00 0.00 H new ATOM 0 HE2 LYS A 56 33.518 24.561 59.401 1.00 0.00 H new ATOM 0 HE3 LYS A 56 35.234 24.918 59.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 35.016 23.304 61.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.053 24.756 61.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.574 23.969 61.705 1.00 0.00 H new ATOM 858 N CYS A 57 32.204 30.176 63.810 1.00 0.00 N ATOM 859 CA CYS A 57 31.726 31.423 64.396 1.00 0.00 C ATOM 860 C CYS A 57 31.080 32.325 63.276 1.00 0.00 C ATOM 861 O CYS A 57 31.094 33.547 63.402 1.00 0.00 O ATOM 862 CB CYS A 57 32.728 32.127 65.321 1.00 0.00 C ATOM 863 SG CYS A 57 31.976 33.514 66.241 1.00 0.00 S ATOM 0 H CYS A 57 31.558 29.406 63.983 1.00 0.00 H new ATOM 0 HA CYS A 57 30.933 31.179 65.103 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.134 31.404 66.028 1.00 0.00 H new ATOM 0 HB3 CYS A 57 33.564 32.499 64.729 1.00 0.00 H new ATOM 868 N ASN A 58 30.451 31.720 62.189 1.00 0.00 N ATOM 869 CA ASN A 58 29.744 32.444 61.125 1.00 0.00 C ATOM 870 C ASN A 58 30.807 33.378 60.453 1.00 0.00 C ATOM 871 O ASN A 58 30.798 34.591 60.654 1.00 0.00 O ATOM 872 CB ASN A 58 28.476 33.159 61.619 1.00 0.00 C ATOM 873 CG ASN A 58 27.564 33.612 60.484 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.509 33.058 59.402 1.00 0.00 O ATOM 875 ND2 ASN A 58 26.776 34.668 60.789 1.00 0.00 N ATOM 0 H ASN A 58 30.440 30.709 62.058 1.00 0.00 H new ATOM 0 HA ASN A 58 29.340 31.758 60.381 1.00 0.00 H new ATOM 0 HB2 ASN A 58 27.922 32.490 62.277 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.763 34.026 62.214 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.110 35.023 60.102 1.00 0.00 H new ATOM 0 HD22 ASN A 58 26.847 35.110 61.706 1.00 0.00 H new ATOM 882 N LEU A 59 31.751 32.753 59.652 1.00 0.00 N ATOM 883 CA LEU A 59 32.858 33.412 58.927 1.00 0.00 C ATOM 884 C LEU A 59 33.835 34.091 60.000 1.00 0.00 C ATOM 885 O LEU A 59 34.012 35.311 59.932 1.00 0.00 O ATOM 886 CB LEU A 59 32.392 34.431 57.859 1.00 0.00 C ATOM 887 CG LEU A 59 31.251 34.116 56.860 1.00 0.00 C ATOM 888 CD1 LEU A 59 30.927 35.357 56.012 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.554 32.928 55.934 1.00 0.00 C ATOM 890 OXT LEU A 59 34.295 33.347 60.880 1.00 0.00 O ATOM 0 H LEU A 59 31.741 31.744 59.504 1.00 0.00 H new ATOM 0 HA LEU A 59 33.388 32.646 58.361 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.099 35.334 58.394 1.00 0.00 H new ATOM 0 HB3 LEU A 59 33.269 34.684 57.263 1.00 0.00 H new ATOM 0 HG LEU A 59 30.390 33.834 57.466 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.123 35.121 55.314 1.00 0.00 H new ATOM 0 HD12 LEU A 59 30.614 36.172 56.665 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.814 35.659 55.455 1.00 0.00 H new ATOM 0 HD21 LEU A 59 30.711 32.766 55.262 1.00 0.00 H new ATOM 0 HD22 LEU A 59 32.448 33.142 55.349 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.718 32.032 56.533 1.00 0.00 H new TER 902 LEU A 59