USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 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= -0.312 K(o=1,f=-3.6) USER MOD Set 1.2: A 13 THR OG1 : rot -94:sc= 1.32 USER MOD Single : A 1 ARG N :NH3+ -172:sc= 1.2 (180deg=0.888) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.52 K(o=-0.52,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 18 GLN : amide:sc= -0.717 X(o=-0.72,f=-0.72) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= -1.59! (180deg=-5.5!) USER MOD Single : A 25 ASN : amide:sc= -5.28! C(o=-5.3!,f=-6.1!) USER MOD Single : A 28 THR OG1 : rot -78:sc= 1.42 USER MOD Single : A 31 ASN : amide:sc= 0.0378 X(o=0.038,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -27:sc= 1.13 USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= -0.328! (180deg=-5.39!) USER MOD Single : A 58 ASN : amide:sc= -0.0117 K(o=-0.012,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.791 25.379 67.639 1.00 0.00 N ATOM 2 CA ARG A 1 40.402 25.076 67.060 1.00 0.00 C ATOM 3 C ARG A 1 40.450 25.376 65.524 1.00 0.00 C ATOM 4 O ARG A 1 41.486 25.810 65.027 1.00 0.00 O ATOM 5 CB ARG A 1 39.275 25.852 67.796 1.00 0.00 C ATOM 6 CG ARG A 1 37.914 25.115 67.931 1.00 0.00 C ATOM 7 CD ARG A 1 37.939 23.753 68.659 1.00 0.00 C ATOM 8 NE ARG A 1 38.572 23.702 70.008 1.00 0.00 N ATOM 9 CZ ARG A 1 38.229 24.397 71.083 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.176 25.167 71.099 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.949 24.283 72.166 1.00 0.00 N ATOM 0 H1 ARG A 1 41.831 25.062 68.629 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.515 24.878 67.085 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.969 26.403 67.596 1.00 0.00 H new ATOM 0 HA ARG A 1 40.154 24.026 67.214 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.629 26.105 68.795 1.00 0.00 H new ATOM 0 HB3 ARG A 1 39.106 26.792 67.270 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.221 25.771 68.458 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.509 24.960 66.931 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.910 23.406 68.757 1.00 0.00 H new ATOM 0 HD3 ARG A 1 38.456 23.039 68.018 1.00 0.00 H new ATOM 0 HE ARG A 1 39.357 23.060 70.116 1.00 0.00 H new ATOM 0 HH11 ARG A 1 36.590 25.247 70.268 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.939 25.689 71.942 1.00 0.00 H new ATOM 0 HH21 ARG A 1 39.761 23.666 72.176 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.699 24.811 73.002 1.00 0.00 H new ATOM 27 N ILE A 2 39.318 25.089 64.771 1.00 0.00 N ATOM 28 CA ILE A 2 39.296 25.232 63.293 1.00 0.00 C ATOM 29 C ILE A 2 38.546 26.551 62.899 1.00 0.00 C ATOM 30 O ILE A 2 37.409 26.822 63.288 1.00 0.00 O ATOM 31 CB ILE A 2 38.633 24.060 62.516 1.00 0.00 C ATOM 32 CG1 ILE A 2 39.243 22.686 62.915 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.698 24.253 60.973 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.383 21.868 63.894 1.00 0.00 C ATOM 0 H ILE A 2 38.438 24.766 65.173 1.00 0.00 H new ATOM 0 HA ILE A 2 40.347 25.242 63.005 1.00 0.00 H new ATOM 0 HB ILE A 2 37.582 24.067 62.803 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.403 22.097 62.012 1.00 0.00 H new ATOM 0 HG13 ILE A 2 40.222 22.854 63.364 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.221 23.406 60.480 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.179 25.172 60.699 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.740 24.317 60.658 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.883 20.926 64.118 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.244 22.433 64.816 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.412 21.665 63.443 1.00 0.00 H new ATOM 46 N CYS A 3 39.237 27.374 62.029 1.00 0.00 N ATOM 47 CA CYS A 3 38.680 28.594 61.472 1.00 0.00 C ATOM 48 C CYS A 3 39.354 28.875 60.091 1.00 0.00 C ATOM 49 O CYS A 3 40.479 28.459 59.822 1.00 0.00 O ATOM 50 CB CYS A 3 38.830 29.771 62.459 1.00 0.00 C ATOM 51 SG CYS A 3 40.532 30.022 63.028 1.00 0.00 S ATOM 0 H CYS A 3 40.189 27.180 61.717 1.00 0.00 H new ATOM 0 HA CYS A 3 37.609 28.474 61.309 1.00 0.00 H new ATOM 0 HB2 CYS A 3 38.477 30.684 61.980 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.188 29.595 63.322 1.00 0.00 H new ATOM 56 N TYR A 4 38.610 29.610 59.175 1.00 0.00 N ATOM 57 CA TYR A 4 39.042 29.621 57.771 1.00 0.00 C ATOM 58 C TYR A 4 40.257 30.552 57.451 1.00 0.00 C ATOM 59 O TYR A 4 40.771 31.266 58.303 1.00 0.00 O ATOM 60 CB TYR A 4 37.845 30.044 56.880 1.00 0.00 C ATOM 61 CG TYR A 4 36.532 29.336 57.209 1.00 0.00 C ATOM 62 CD1 TYR A 4 36.468 28.032 57.706 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.322 30.011 57.051 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.273 27.463 58.115 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.111 29.454 57.436 1.00 0.00 C ATOM 66 CZ TYR A 4 34.068 28.182 58.011 1.00 0.00 C ATOM 67 OH TYR A 4 32.919 27.611 58.469 1.00 0.00 O ATOM 0 H TYR A 4 37.774 30.154 59.389 1.00 0.00 H new ATOM 0 HA TYR A 4 39.382 28.607 57.563 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.698 31.120 56.977 1.00 0.00 H new ATOM 0 HB3 TYR A 4 38.097 29.850 55.838 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.376 27.451 57.773 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.328 30.999 56.615 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.266 26.460 58.517 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.195 30.008 57.290 1.00 0.00 H new ATOM 0 HH TYR A 4 32.170 28.227 58.331 1.00 0.00 H new ATOM 77 N ASN A 5 40.702 30.483 56.140 1.00 0.00 N ATOM 78 CA ASN A 5 41.661 31.445 55.589 1.00 0.00 C ATOM 79 C ASN A 5 41.327 31.444 54.066 1.00 0.00 C ATOM 80 O ASN A 5 42.202 31.229 53.234 1.00 0.00 O ATOM 81 CB ASN A 5 43.133 31.123 55.869 1.00 0.00 C ATOM 82 CG ASN A 5 44.087 32.211 55.375 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.732 33.255 54.856 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.394 31.922 55.567 1.00 0.00 N ATOM 0 H ASN A 5 40.399 29.770 55.477 1.00 0.00 H new ATOM 0 HA ASN A 5 41.557 32.422 56.060 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.272 30.986 56.941 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.390 30.178 55.391 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.111 32.586 55.275 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.663 31.040 56.004 1.00 0.00 H new ATOM 91 N HIS A 6 39.995 31.656 53.736 1.00 0.00 N ATOM 92 CA HIS A 6 39.404 31.607 52.386 1.00 0.00 C ATOM 93 C HIS A 6 39.125 33.063 51.853 1.00 0.00 C ATOM 94 O HIS A 6 39.811 34.010 52.227 1.00 0.00 O ATOM 95 CB HIS A 6 40.040 30.563 51.373 1.00 0.00 C ATOM 96 CG HIS A 6 41.210 31.010 50.544 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.216 30.127 50.098 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.582 32.207 50.003 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.144 30.743 49.372 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.754 32.022 49.286 1.00 0.00 N ATOM 0 H HIS A 6 39.299 31.872 54.450 1.00 0.00 H new ATOM 0 HA HIS A 6 38.425 31.137 52.481 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.350 29.689 51.945 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.254 30.236 50.693 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.052 33.141 50.115 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.031 30.303 48.940 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.246 32.751 48.770 1.00 0.00 H new ATOM 109 N LEU A 7 38.034 33.248 51.017 1.00 0.00 N ATOM 110 CA LEU A 7 37.593 34.569 50.573 1.00 0.00 C ATOM 111 C LEU A 7 38.673 35.311 49.708 1.00 0.00 C ATOM 112 O LEU A 7 39.624 34.734 49.185 1.00 0.00 O ATOM 113 CB LEU A 7 36.884 35.424 51.655 1.00 0.00 C ATOM 114 CG LEU A 7 35.544 34.874 52.205 1.00 0.00 C ATOM 115 CD1 LEU A 7 35.707 33.737 53.225 1.00 0.00 C ATOM 116 CD2 LEU A 7 34.756 36.030 52.846 1.00 0.00 C ATOM 0 H LEU A 7 37.467 32.481 50.656 1.00 0.00 H new ATOM 0 HA LEU A 7 36.773 34.384 49.879 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.570 35.551 52.493 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.701 36.415 51.240 1.00 0.00 H new ATOM 0 HG LEU A 7 35.008 34.447 51.358 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.724 33.407 53.562 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.230 32.902 52.759 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.283 34.094 54.079 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.811 35.653 53.236 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.339 36.460 53.660 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.559 36.796 52.096 1.00 0.00 H new ATOM 128 N GLY A 8 38.376 36.635 49.439 1.00 0.00 N ATOM 129 CA GLY A 8 39.117 37.405 48.443 1.00 0.00 C ATOM 130 C GLY A 8 38.445 37.071 47.095 1.00 0.00 C ATOM 131 O GLY A 8 37.625 37.815 46.568 1.00 0.00 O ATOM 0 H GLY A 8 37.635 37.157 49.906 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.068 38.473 48.654 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.172 37.130 48.437 1.00 0.00 H new ATOM 135 N THR A 9 38.848 35.874 46.543 1.00 0.00 N ATOM 136 CA THR A 9 38.347 35.362 45.263 1.00 0.00 C ATOM 137 C THR A 9 38.129 33.823 45.322 1.00 0.00 C ATOM 138 O THR A 9 37.240 33.307 44.648 1.00 0.00 O ATOM 139 CB THR A 9 39.327 35.643 44.095 1.00 0.00 C ATOM 140 OG1 THR A 9 39.581 37.042 43.932 1.00 0.00 O ATOM 141 CG2 THR A 9 38.847 35.168 42.718 1.00 0.00 C ATOM 0 H THR A 9 39.527 35.258 46.990 1.00 0.00 H new ATOM 0 HA THR A 9 37.405 35.881 45.085 1.00 0.00 H new ATOM 0 HB THR A 9 40.213 35.082 44.393 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.204 37.177 43.188 1.00 0.00 H new ATOM 0 HG21 THR A 9 39.600 35.409 41.967 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.689 34.090 42.740 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.911 35.667 42.467 1.00 0.00 H new ATOM 149 N LYS A 10 38.983 33.078 46.115 1.00 0.00 N ATOM 150 CA LYS A 10 38.960 31.596 46.190 1.00 0.00 C ATOM 151 C LYS A 10 38.357 31.202 47.596 1.00 0.00 C ATOM 152 O LYS A 10 39.014 31.434 48.605 1.00 0.00 O ATOM 153 CB LYS A 10 40.380 31.004 46.024 1.00 0.00 C ATOM 154 CG LYS A 10 41.077 31.345 44.684 1.00 0.00 C ATOM 155 CD LYS A 10 40.472 30.628 43.459 1.00 0.00 C ATOM 156 CE LYS A 10 41.019 31.196 42.145 1.00 0.00 C ATOM 157 NZ LYS A 10 40.507 30.419 40.928 1.00 0.00 N ATOM 0 H LYS A 10 39.695 33.502 46.709 1.00 0.00 H new ATOM 0 HA LYS A 10 38.351 31.191 45.382 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.005 31.361 46.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.319 29.920 46.119 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.025 32.422 44.524 1.00 0.00 H new ATOM 0 HG3 LYS A 10 42.133 31.084 44.759 1.00 0.00 H new ATOM 0 HD2 LYS A 10 40.693 29.562 43.515 1.00 0.00 H new ATOM 0 HD3 LYS A 10 39.387 30.730 43.476 1.00 0.00 H new ATOM 0 HE2 LYS A 10 40.730 32.243 42.054 1.00 0.00 H new ATOM 0 HE3 LYS A 10 42.108 31.166 42.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 40.900 30.835 40.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 40.804 29.425 41.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 39.469 30.469 40.896 1.00 0.00 H new ATOM 171 N PRO A 11 37.140 30.508 47.686 1.00 0.00 N ATOM 172 CA PRO A 11 36.557 30.234 49.031 1.00 0.00 C ATOM 173 C PRO A 11 36.942 28.941 49.867 1.00 0.00 C ATOM 174 O PRO A 11 36.754 29.017 51.082 1.00 0.00 O ATOM 175 CB PRO A 11 35.028 30.200 48.823 1.00 0.00 C ATOM 176 CG PRO A 11 34.823 31.129 47.625 1.00 0.00 C ATOM 177 CD PRO A 11 36.033 30.790 46.757 1.00 0.00 C ATOM 0 HA PRO A 11 36.988 31.023 49.647 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.671 29.191 48.617 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.493 30.554 49.704 1.00 0.00 H new ATOM 0 HG2 PRO A 11 33.883 30.932 47.111 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.811 32.179 47.919 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.828 29.927 46.123 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.282 31.620 46.095 1.00 0.00 H new ATOM 185 N PRO A 12 37.562 27.825 49.305 1.00 0.00 N ATOM 186 CA PRO A 12 37.743 26.576 50.073 1.00 0.00 C ATOM 187 C PRO A 12 38.828 26.326 51.174 1.00 0.00 C ATOM 188 O PRO A 12 38.594 25.377 51.928 1.00 0.00 O ATOM 189 CB PRO A 12 38.094 25.537 48.985 1.00 0.00 C ATOM 190 CG PRO A 12 37.321 26.004 47.749 1.00 0.00 C ATOM 191 CD PRO A 12 37.379 27.527 47.884 1.00 0.00 C ATOM 0 HA PRO A 12 36.831 26.561 50.669 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.167 25.508 48.795 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.796 24.532 49.284 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.785 25.660 46.825 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.295 25.635 47.747 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.201 27.935 47.296 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.462 27.982 47.510 1.00 0.00 H new ATOM 199 N THR A 13 40.013 27.048 51.309 1.00 0.00 N ATOM 200 CA THR A 13 40.979 26.583 52.334 1.00 0.00 C ATOM 201 C THR A 13 40.578 26.994 53.792 1.00 0.00 C ATOM 202 O THR A 13 40.176 28.113 54.108 1.00 0.00 O ATOM 203 CB THR A 13 42.466 26.975 52.147 1.00 0.00 C ATOM 204 OG1 THR A 13 42.745 28.370 52.206 1.00 0.00 O ATOM 205 CG2 THR A 13 43.078 26.440 50.842 1.00 0.00 C ATOM 0 H THR A 13 40.283 27.870 50.769 1.00 0.00 H new ATOM 0 HA THR A 13 40.911 25.506 52.180 1.00 0.00 H new ATOM 0 HB THR A 13 42.927 26.498 53.012 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.744 28.742 51.300 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.121 26.751 50.775 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.023 25.351 50.834 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.525 26.838 49.991 1.00 0.00 H new ATOM 213 N THR A 14 40.839 26.006 54.721 1.00 0.00 N ATOM 214 CA THR A 14 40.517 26.073 56.146 1.00 0.00 C ATOM 215 C THR A 14 41.780 25.703 56.974 1.00 0.00 C ATOM 216 O THR A 14 42.574 24.844 56.591 1.00 0.00 O ATOM 217 CB THR A 14 39.337 25.166 56.504 1.00 0.00 C ATOM 218 OG1 THR A 14 39.578 23.760 56.401 1.00 0.00 O ATOM 219 CG2 THR A 14 38.132 25.481 55.589 1.00 0.00 C ATOM 0 H THR A 14 41.292 25.129 54.463 1.00 0.00 H new ATOM 0 HA THR A 14 40.213 27.091 56.388 1.00 0.00 H new ATOM 0 HB THR A 14 39.150 25.385 57.555 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.767 23.270 56.651 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.297 24.831 55.851 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.837 26.522 55.721 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.411 25.312 54.549 1.00 0.00 H new ATOM 227 N GLU A 15 41.945 26.386 58.163 1.00 0.00 N ATOM 228 CA GLU A 15 43.158 26.213 58.986 1.00 0.00 C ATOM 229 C GLU A 15 42.723 25.433 60.266 1.00 0.00 C ATOM 230 O GLU A 15 42.080 25.944 61.184 1.00 0.00 O ATOM 231 CB GLU A 15 43.906 27.517 59.321 1.00 0.00 C ATOM 232 CG GLU A 15 45.200 27.344 60.149 1.00 0.00 C ATOM 233 CD GLU A 15 46.302 26.549 59.457 1.00 0.00 C ATOM 234 OE1 GLU A 15 46.334 26.208 58.296 1.00 0.00 O ATOM 235 OE2 GLU A 15 47.289 26.272 60.310 1.00 0.00 O ATOM 0 H GLU A 15 41.262 27.039 58.547 1.00 0.00 H new ATOM 0 HA GLU A 15 43.896 25.656 58.410 1.00 0.00 H new ATOM 0 HB2 GLU A 15 44.156 28.022 58.388 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.230 28.174 59.868 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.588 28.331 60.401 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.950 26.850 61.088 1.00 0.00 H new ATOM 243 N THR A 16 43.118 24.105 60.300 1.00 0.00 N ATOM 244 CA THR A 16 42.853 23.212 61.444 1.00 0.00 C ATOM 245 C THR A 16 44.089 23.462 62.372 1.00 0.00 C ATOM 246 O THR A 16 45.194 23.001 62.081 1.00 0.00 O ATOM 247 CB THR A 16 42.744 21.709 61.064 1.00 0.00 C ATOM 248 OG1 THR A 16 41.621 21.527 60.196 1.00 0.00 O ATOM 249 CG2 THR A 16 42.590 20.779 62.279 1.00 0.00 C ATOM 0 H THR A 16 43.620 23.653 59.536 1.00 0.00 H new ATOM 0 HA THR A 16 41.888 23.429 61.903 1.00 0.00 H new ATOM 0 HB THR A 16 43.679 21.439 60.573 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.547 20.581 59.951 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.520 19.746 61.940 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.455 20.888 62.933 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.686 21.043 62.827 1.00 0.00 H new ATOM 257 N CYS A 17 43.899 24.191 63.544 1.00 0.00 N ATOM 258 CA CYS A 17 45.070 24.659 64.311 1.00 0.00 C ATOM 259 C CYS A 17 45.122 24.083 65.767 1.00 0.00 C ATOM 260 O CYS A 17 44.121 23.963 66.478 1.00 0.00 O ATOM 261 CB CYS A 17 45.080 26.179 64.418 1.00 0.00 C ATOM 262 SG CYS A 17 46.746 26.894 64.495 1.00 0.00 S ATOM 0 H CYS A 17 42.991 24.441 63.936 1.00 0.00 H new ATOM 0 HA CYS A 17 45.938 24.299 63.758 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.554 26.598 63.560 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.526 26.475 65.308 1.00 0.00 H new ATOM 267 N GLN A 18 46.410 23.849 66.221 1.00 0.00 N ATOM 268 CA GLN A 18 46.757 23.362 67.561 1.00 0.00 C ATOM 269 C GLN A 18 46.927 24.626 68.462 1.00 0.00 C ATOM 270 O GLN A 18 47.938 24.799 69.140 1.00 0.00 O ATOM 271 CB GLN A 18 48.013 22.461 67.570 1.00 0.00 C ATOM 272 CG GLN A 18 47.947 21.156 66.740 1.00 0.00 C ATOM 273 CD GLN A 18 47.918 21.476 65.244 1.00 0.00 C ATOM 274 OE1 GLN A 18 48.840 22.027 64.670 1.00 0.00 O ATOM 275 NE2 GLN A 18 46.784 21.116 64.602 1.00 0.00 N ATOM 0 H GLN A 18 47.229 24.005 65.634 1.00 0.00 H new ATOM 0 HA GLN A 18 45.966 22.717 67.943 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.855 23.050 67.208 1.00 0.00 H new ATOM 0 HB3 GLN A 18 48.231 22.194 68.604 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.809 20.529 66.968 1.00 0.00 H new ATOM 0 HG3 GLN A 18 47.058 20.588 67.014 1.00 0.00 H new ATOM 0 HE21 GLN A 18 46.032 20.656 65.115 1.00 0.00 H new ATOM 0 HE22 GLN A 18 46.681 21.304 63.605 1.00 0.00 H new ATOM 284 N GLU A 19 45.872 25.514 68.446 1.00 0.00 N ATOM 285 CA GLU A 19 45.857 26.744 69.219 1.00 0.00 C ATOM 286 C GLU A 19 44.354 27.000 69.551 1.00 0.00 C ATOM 287 O GLU A 19 43.477 27.037 68.683 1.00 0.00 O ATOM 288 CB GLU A 19 46.416 28.000 68.518 1.00 0.00 C ATOM 289 CG GLU A 19 47.943 27.986 68.284 1.00 0.00 C ATOM 290 CD GLU A 19 48.394 29.307 67.654 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.228 30.407 68.143 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.022 29.105 66.493 1.00 0.00 O ATOM 0 H GLU A 19 45.029 25.369 67.890 1.00 0.00 H new ATOM 0 HA GLU A 19 46.513 26.598 70.078 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.916 28.115 67.556 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.162 28.876 69.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.462 27.830 69.230 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.211 27.154 67.633 1.00 0.00 H new ATOM 300 N ASP A 20 44.104 27.237 70.888 1.00 0.00 N ATOM 301 CA ASP A 20 42.802 27.490 71.501 1.00 0.00 C ATOM 302 C ASP A 20 41.947 28.445 70.609 1.00 0.00 C ATOM 303 O ASP A 20 40.743 28.256 70.441 1.00 0.00 O ATOM 304 CB ASP A 20 42.112 26.286 72.152 1.00 0.00 C ATOM 305 CG ASP A 20 41.834 24.990 71.352 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.796 25.054 70.124 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.607 24.012 72.075 1.00 0.00 O ATOM 0 H ASP A 20 44.859 27.251 71.574 1.00 0.00 H new ATOM 0 HA ASP A 20 42.975 28.053 72.418 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.714 26.004 73.016 1.00 0.00 H new ATOM 0 HB3 ASP A 20 41.153 26.637 72.533 1.00 0.00 H new ATOM 312 N SER A 21 42.601 29.584 70.158 1.00 0.00 N ATOM 313 CA SER A 21 41.898 30.691 69.517 1.00 0.00 C ATOM 314 C SER A 21 42.421 31.096 68.112 1.00 0.00 C ATOM 315 O SER A 21 43.526 30.794 67.657 1.00 0.00 O ATOM 316 CB SER A 21 42.005 31.957 70.419 1.00 0.00 C ATOM 317 OG SER A 21 41.524 31.800 71.750 1.00 0.00 O ATOM 0 H SER A 21 43.608 29.725 70.242 1.00 0.00 H new ATOM 0 HA SER A 21 40.878 30.329 69.387 1.00 0.00 H new ATOM 0 HB2 SER A 21 43.050 32.265 70.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.453 32.768 69.944 1.00 0.00 H new ATOM 0 HG SER A 21 41.633 32.642 72.239 1.00 0.00 H new ATOM 323 N CYS A 22 41.516 31.899 67.452 1.00 0.00 N ATOM 324 CA CYS A 22 41.889 32.471 66.179 1.00 0.00 C ATOM 325 C CYS A 22 41.241 33.848 65.914 1.00 0.00 C ATOM 326 O CYS A 22 40.303 34.267 66.589 1.00 0.00 O ATOM 327 CB CYS A 22 41.606 31.494 65.013 1.00 0.00 C ATOM 328 SG CYS A 22 39.873 31.313 64.530 1.00 0.00 S ATOM 0 H CYS A 22 40.582 32.134 67.786 1.00 0.00 H new ATOM 0 HA CYS A 22 42.964 32.641 66.234 1.00 0.00 H new ATOM 0 HB2 CYS A 22 42.172 31.826 64.142 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.990 30.512 65.288 1.00 0.00 H new ATOM 333 N TYR A 23 41.789 34.541 64.855 1.00 0.00 N ATOM 334 CA TYR A 23 41.410 35.930 64.580 1.00 0.00 C ATOM 335 C TYR A 23 40.645 36.049 63.235 1.00 0.00 C ATOM 336 O TYR A 23 40.903 35.325 62.271 1.00 0.00 O ATOM 337 CB TYR A 23 42.673 36.868 64.547 1.00 0.00 C ATOM 338 CG TYR A 23 43.780 36.517 63.559 1.00 0.00 C ATOM 339 CD1 TYR A 23 43.663 36.756 62.191 1.00 0.00 C ATOM 340 CD2 TYR A 23 45.005 36.030 64.009 1.00 0.00 C ATOM 341 CE1 TYR A 23 44.708 36.514 61.312 1.00 0.00 C ATOM 342 CE2 TYR A 23 46.070 35.783 63.152 1.00 0.00 C ATOM 343 CZ TYR A 23 45.939 36.022 61.783 1.00 0.00 C ATOM 344 OH TYR A 23 46.946 35.810 60.889 1.00 0.00 O ATOM 0 H TYR A 23 42.474 34.151 64.208 1.00 0.00 H new ATOM 0 HA TYR A 23 40.753 36.248 65.390 1.00 0.00 H new ATOM 0 HB2 TYR A 23 42.335 37.881 64.329 1.00 0.00 H new ATOM 0 HB3 TYR A 23 43.106 36.885 65.547 1.00 0.00 H new ATOM 0 HD1 TYR A 23 42.731 37.141 61.804 1.00 0.00 H new ATOM 0 HD2 TYR A 23 45.132 35.837 65.064 1.00 0.00 H new ATOM 0 HE1 TYR A 23 44.576 36.705 60.257 1.00 0.00 H new ATOM 0 HE2 TYR A 23 47.002 35.405 63.546 1.00 0.00 H new ATOM 0 HH TYR A 23 47.736 35.471 61.360 1.00 0.00 H new ATOM 354 N LYS A 24 39.672 37.038 63.202 1.00 0.00 N ATOM 355 CA LYS A 24 38.860 37.313 62.011 1.00 0.00 C ATOM 356 C LYS A 24 39.158 38.812 61.659 1.00 0.00 C ATOM 357 O LYS A 24 38.783 39.771 62.328 1.00 0.00 O ATOM 358 CB LYS A 24 37.377 36.979 62.184 1.00 0.00 C ATOM 359 CG LYS A 24 37.116 35.521 62.633 1.00 0.00 C ATOM 360 CD LYS A 24 35.764 34.973 62.155 1.00 0.00 C ATOM 361 CE LYS A 24 35.517 33.549 62.649 1.00 0.00 C ATOM 362 NZ LYS A 24 34.179 33.019 62.140 1.00 0.00 N ATOM 0 H LYS A 24 39.455 37.638 63.997 1.00 0.00 H new ATOM 0 HA LYS A 24 39.128 36.660 61.180 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.944 37.659 62.918 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.861 37.157 61.241 1.00 0.00 H new ATOM 0 HG2 LYS A 24 37.914 34.883 62.254 1.00 0.00 H new ATOM 0 HG3 LYS A 24 37.157 35.470 63.721 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.964 35.623 62.508 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.731 34.990 61.066 1.00 0.00 H new ATOM 0 HE2 LYS A 24 36.323 32.898 62.311 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.529 33.531 63.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 34.269 32.008 61.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.453 33.147 62.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.902 33.541 61.284 1.00 0.00 H new ATOM 376 N ASN A 25 39.879 38.970 60.492 1.00 0.00 N ATOM 377 CA ASN A 25 40.593 40.191 60.060 1.00 0.00 C ATOM 378 C ASN A 25 39.849 40.721 58.770 1.00 0.00 C ATOM 379 O ASN A 25 39.639 39.979 57.813 1.00 0.00 O ATOM 380 CB ASN A 25 42.003 39.686 59.793 1.00 0.00 C ATOM 381 CG ASN A 25 43.023 40.744 59.501 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.811 41.178 60.319 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.989 41.181 58.233 1.00 0.00 N ATOM 0 H ASN A 25 39.970 38.212 59.816 1.00 0.00 H new ATOM 0 HA ASN A 25 40.620 41.021 60.766 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.336 39.115 60.660 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.969 38.996 58.950 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.640 41.903 57.925 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.312 40.791 57.577 1.00 0.00 H new ATOM 390 N ILE A 26 39.480 42.072 58.763 1.00 0.00 N ATOM 391 CA ILE A 26 38.354 42.575 57.917 1.00 0.00 C ATOM 392 C ILE A 26 38.680 43.731 56.898 1.00 0.00 C ATOM 393 O ILE A 26 37.953 43.943 55.930 1.00 0.00 O ATOM 394 CB ILE A 26 37.177 43.023 58.833 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.147 44.508 59.288 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.983 42.095 60.055 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.203 44.973 60.303 1.00 0.00 C ATOM 0 H ILE A 26 39.941 42.791 59.320 1.00 0.00 H new ATOM 0 HA ILE A 26 38.100 41.723 57.287 1.00 0.00 H new ATOM 0 HB ILE A 26 36.333 42.929 58.150 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.241 45.132 58.399 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.164 44.707 59.714 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.149 42.456 60.657 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.772 41.082 59.713 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.891 42.092 60.658 1.00 0.00 H new ATOM 0 HD11 ILE A 26 38.055 46.030 60.523 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.105 44.394 61.221 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.199 44.825 59.885 1.00 0.00 H new ATOM 409 N TRP A 27 39.768 44.522 57.191 1.00 0.00 N ATOM 410 CA TRP A 27 40.414 45.617 56.452 1.00 0.00 C ATOM 411 C TRP A 27 41.019 44.970 55.133 1.00 0.00 C ATOM 412 O TRP A 27 40.325 44.793 54.136 1.00 0.00 O ATOM 413 CB TRP A 27 41.504 46.346 57.357 1.00 0.00 C ATOM 414 CG TRP A 27 41.977 45.489 58.505 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.131 44.085 58.401 1.00 0.00 C ATOM 416 CD2 TRP A 27 42.119 45.746 59.871 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.187 43.480 59.615 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.202 44.514 60.524 1.00 0.00 C ATOM 419 CE3 TRP A 27 42.030 46.897 60.693 1.00 0.00 C ATOM 420 CZ2 TRP A 27 42.150 44.320 61.864 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.996 46.743 62.074 1.00 0.00 C ATOM 422 CH2 TRP A 27 42.047 45.462 62.660 1.00 0.00 C ATOM 0 H TRP A 27 40.261 44.368 58.071 1.00 0.00 H new ATOM 0 HA TRP A 27 39.707 46.401 56.180 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.358 46.621 56.738 1.00 0.00 H new ATOM 0 HB3 TRP A 27 41.084 47.272 57.750 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.196 43.555 57.462 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.212 42.479 59.811 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.989 47.882 60.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.186 43.330 62.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.930 47.616 62.706 1.00 0.00 H new ATOM 0 HH2 TRP A 27 42.006 45.363 63.735 1.00 0.00 H new ATOM 433 N THR A 28 42.375 44.665 55.127 1.00 0.00 N ATOM 434 CA THR A 28 43.083 43.970 54.048 1.00 0.00 C ATOM 435 C THR A 28 43.345 44.866 52.774 1.00 0.00 C ATOM 436 O THR A 28 44.140 44.430 51.942 1.00 0.00 O ATOM 437 CB THR A 28 42.528 42.585 53.618 1.00 0.00 C ATOM 438 OG1 THR A 28 43.438 41.868 52.781 1.00 0.00 O ATOM 439 CG2 THR A 28 42.058 41.635 54.730 1.00 0.00 C ATOM 0 H THR A 28 42.989 44.914 55.902 1.00 0.00 H new ATOM 0 HA THR A 28 44.034 43.759 54.538 1.00 0.00 H new ATOM 0 HB THR A 28 41.630 42.883 53.076 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.396 42.227 51.870 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.696 40.707 54.287 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.891 41.417 55.399 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.253 42.106 55.295 1.00 0.00 H new ATOM 447 N PHE A 29 42.749 46.112 52.595 1.00 0.00 N ATOM 448 CA PHE A 29 42.834 46.946 51.364 1.00 0.00 C ATOM 449 C PHE A 29 41.701 46.514 50.379 1.00 0.00 C ATOM 450 O PHE A 29 41.077 47.383 49.770 1.00 0.00 O ATOM 451 CB PHE A 29 44.209 47.124 50.674 1.00 0.00 C ATOM 452 CG PHE A 29 44.120 47.997 49.437 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.030 49.389 49.523 1.00 0.00 C ATOM 454 CD2 PHE A 29 44.114 47.417 48.163 1.00 0.00 C ATOM 455 CE1 PHE A 29 43.893 50.179 48.381 1.00 0.00 C ATOM 456 CE2 PHE A 29 43.981 48.192 47.011 1.00 0.00 C ATOM 457 CZ PHE A 29 43.855 49.581 47.115 1.00 0.00 C ATOM 0 H PHE A 29 42.192 46.553 53.327 1.00 0.00 H new ATOM 0 HA PHE A 29 42.685 47.966 51.717 1.00 0.00 H new ATOM 0 HB2 PHE A 29 44.913 47.566 51.379 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.605 46.146 50.399 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.067 49.863 50.493 1.00 0.00 H new ATOM 0 HD2 PHE A 29 44.215 46.346 48.070 1.00 0.00 H new ATOM 0 HE1 PHE A 29 43.816 51.252 48.473 1.00 0.00 H new ATOM 0 HE2 PHE A 29 43.975 47.720 46.040 1.00 0.00 H new ATOM 0 HZ PHE A 29 43.730 50.186 46.229 1.00 0.00 H new ATOM 467 N ASP A 30 41.380 45.174 50.281 1.00 0.00 N ATOM 468 CA ASP A 30 40.314 44.632 49.446 1.00 0.00 C ATOM 469 C ASP A 30 38.908 44.634 50.163 1.00 0.00 C ATOM 470 O ASP A 30 37.929 44.363 49.466 1.00 0.00 O ATOM 471 CB ASP A 30 40.674 43.271 48.814 1.00 0.00 C ATOM 472 CG ASP A 30 41.239 42.125 49.691 1.00 0.00 C ATOM 473 OD1 ASP A 30 42.123 42.437 50.496 1.00 0.00 O ATOM 474 OD2 ASP A 30 40.790 40.997 49.451 1.00 0.00 O ATOM 0 H ASP A 30 41.882 44.454 50.801 1.00 0.00 H new ATOM 0 HA ASP A 30 40.215 45.323 48.609 1.00 0.00 H new ATOM 0 HB2 ASP A 30 39.774 42.892 48.329 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.403 43.464 48.027 1.00 0.00 H new ATOM 479 N ASN A 31 38.740 44.985 51.504 1.00 0.00 N ATOM 480 CA ASN A 31 37.439 45.054 52.191 1.00 0.00 C ATOM 481 C ASN A 31 36.898 43.587 52.192 1.00 0.00 C ATOM 482 O ASN A 31 35.953 43.252 51.479 1.00 0.00 O ATOM 483 CB ASN A 31 36.486 46.113 51.616 1.00 0.00 C ATOM 484 CG ASN A 31 35.339 46.430 52.564 1.00 0.00 C ATOM 485 OD1 ASN A 31 35.352 47.369 53.338 1.00 0.00 O ATOM 486 ND2 ASN A 31 34.282 45.594 52.471 1.00 0.00 N ATOM 0 H ASN A 31 39.525 45.222 52.111 1.00 0.00 H new ATOM 0 HA ASN A 31 37.540 45.414 53.215 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.044 47.025 51.406 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.083 45.760 50.667 1.00 0.00 H new ATOM 0 HD21 ASN A 31 33.462 45.741 53.060 1.00 0.00 H new ATOM 0 HD22 ASN A 31 34.303 44.816 51.811 1.00 0.00 H new ATOM 493 N ILE A 32 37.520 42.699 53.065 1.00 0.00 N ATOM 494 CA ILE A 32 37.143 41.287 53.041 1.00 0.00 C ATOM 495 C ILE A 32 37.511 40.557 54.365 1.00 0.00 C ATOM 496 O ILE A 32 38.434 40.953 55.074 1.00 0.00 O ATOM 497 CB ILE A 32 37.830 40.476 51.901 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.076 39.217 51.421 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.266 40.025 52.262 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.597 39.384 51.049 1.00 0.00 C ATOM 0 H ILE A 32 38.239 42.950 53.743 1.00 0.00 H new ATOM 0 HA ILE A 32 36.065 41.314 52.884 1.00 0.00 H new ATOM 0 HB ILE A 32 37.832 41.204 51.090 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.600 38.820 50.551 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.144 38.463 52.205 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.692 39.465 51.429 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.883 40.901 52.463 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.236 39.391 53.148 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.191 38.424 50.730 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.042 39.742 51.916 1.00 0.00 H new ATOM 0 HD13 ILE A 32 35.505 40.105 50.237 1.00 0.00 H new ATOM 512 N ILE A 33 36.795 39.400 54.647 1.00 0.00 N ATOM 513 CA ILE A 33 37.100 38.610 55.854 1.00 0.00 C ATOM 514 C ILE A 33 38.063 37.463 55.390 1.00 0.00 C ATOM 515 O ILE A 33 37.642 36.394 54.950 1.00 0.00 O ATOM 516 CB ILE A 33 35.912 38.057 56.668 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.664 38.970 56.773 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.411 37.636 58.067 1.00 0.00 C ATOM 519 CD1 ILE A 33 34.897 40.356 57.388 1.00 0.00 C ATOM 0 H ILE A 33 36.042 39.029 54.068 1.00 0.00 H new ATOM 0 HA ILE A 33 37.547 39.293 56.577 1.00 0.00 H new ATOM 0 HB ILE A 33 35.546 37.200 56.102 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.250 39.102 55.774 1.00 0.00 H new ATOM 0 HG13 ILE A 33 33.909 38.453 57.365 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.576 37.244 58.648 1.00 0.00 H new ATOM 0 HG22 ILE A 33 37.175 36.866 57.964 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.834 38.501 58.578 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.957 40.907 57.411 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.277 40.244 58.403 1.00 0.00 H new ATOM 0 HD13 ILE A 33 35.623 40.903 56.787 1.00 0.00 H new ATOM 531 N ARG A 34 39.419 37.694 55.520 1.00 0.00 N ATOM 532 CA ARG A 34 40.437 36.703 55.127 1.00 0.00 C ATOM 533 C ARG A 34 41.525 36.813 56.238 1.00 0.00 C ATOM 534 O ARG A 34 42.011 37.882 56.602 1.00 0.00 O ATOM 535 CB ARG A 34 40.966 36.889 53.706 1.00 0.00 C ATOM 536 CG ARG A 34 42.152 36.006 53.275 1.00 0.00 C ATOM 537 CD ARG A 34 42.391 36.086 51.754 1.00 0.00 C ATOM 538 NE ARG A 34 42.635 37.394 51.099 1.00 0.00 N ATOM 539 CZ ARG A 34 42.939 38.558 51.646 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.665 38.650 52.728 1.00 0.00 N ATOM 541 NH2 ARG A 34 42.512 39.649 51.085 1.00 0.00 N ATOM 0 H ARG A 34 39.808 38.560 55.894 1.00 0.00 H new ATOM 0 HA ARG A 34 40.025 35.696 55.070 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.143 36.711 53.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.261 37.932 53.589 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.052 36.321 53.803 1.00 0.00 H new ATOM 0 HG3 ARG A 34 41.960 34.972 53.561 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.246 35.449 51.529 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.524 35.639 51.268 1.00 0.00 H new ATOM 0 HE ARG A 34 42.557 37.395 50.082 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.017 37.806 53.179 1.00 0.00 H new ATOM 0 HH12 ARG A 34 43.880 39.566 53.122 1.00 0.00 H new ATOM 0 HH21 ARG A 34 41.951 39.599 50.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 42.738 40.555 51.495 1.00 0.00 H new ATOM 555 N ARG A 35 41.874 35.592 56.826 1.00 0.00 N ATOM 556 CA ARG A 35 42.277 35.607 58.221 1.00 0.00 C ATOM 557 C ARG A 35 42.888 34.253 58.695 1.00 0.00 C ATOM 558 O ARG A 35 43.292 33.449 57.861 1.00 0.00 O ATOM 559 CB ARG A 35 41.051 36.109 59.036 1.00 0.00 C ATOM 560 CG ARG A 35 39.646 35.516 58.757 1.00 0.00 C ATOM 561 CD ARG A 35 39.517 34.033 59.081 1.00 0.00 C ATOM 562 NE ARG A 35 38.192 33.369 59.020 1.00 0.00 N ATOM 563 CZ ARG A 35 37.158 33.596 58.224 1.00 0.00 C ATOM 564 NH1 ARG A 35 37.239 34.363 57.173 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.016 33.031 58.495 1.00 0.00 N ATOM 0 H ARG A 35 41.873 34.682 56.365 1.00 0.00 H new ATOM 0 HA ARG A 35 43.108 36.293 58.385 1.00 0.00 H new ATOM 0 HB2 ARG A 35 41.271 35.942 60.090 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.984 37.187 58.891 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.909 36.069 59.339 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.402 35.669 57.706 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.180 33.495 58.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.906 33.887 60.089 1.00 0.00 H new ATOM 0 HE ARG A 35 38.056 32.619 59.698 1.00 0.00 H new ATOM 0 HH11 ARG A 35 38.123 34.814 56.938 1.00 0.00 H new ATOM 0 HH12 ARG A 35 36.418 34.512 56.586 1.00 0.00 H new ATOM 0 HH21 ARG A 35 35.928 32.424 59.310 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.210 33.195 57.892 1.00 0.00 H new ATOM 579 N GLY A 36 43.038 34.035 60.063 1.00 0.00 N ATOM 580 CA GLY A 36 43.824 32.835 60.385 1.00 0.00 C ATOM 581 C GLY A 36 44.065 32.469 61.859 1.00 0.00 C ATOM 582 O GLY A 36 43.591 33.135 62.770 1.00 0.00 O ATOM 0 H GLY A 36 42.675 34.596 60.834 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.333 31.985 59.912 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.799 32.945 59.911 1.00 0.00 H new ATOM 586 N CYS A 37 44.847 31.334 62.043 1.00 0.00 N ATOM 587 CA CYS A 37 45.134 30.785 63.379 1.00 0.00 C ATOM 588 C CYS A 37 46.031 31.806 64.167 1.00 0.00 C ATOM 589 O CYS A 37 47.101 32.203 63.705 1.00 0.00 O ATOM 590 CB CYS A 37 45.833 29.419 63.308 1.00 0.00 C ATOM 591 SG CYS A 37 46.078 28.778 64.988 1.00 0.00 S ATOM 0 H CYS A 37 45.270 30.810 61.277 1.00 0.00 H new ATOM 0 HA CYS A 37 44.186 30.633 63.895 1.00 0.00 H new ATOM 0 HB2 CYS A 37 45.232 28.721 62.725 1.00 0.00 H new ATOM 0 HB3 CYS A 37 46.793 29.515 62.800 1.00 0.00 H new ATOM 596 N GLY A 38 45.546 32.303 65.385 1.00 0.00 N ATOM 597 CA GLY A 38 46.420 33.237 66.096 1.00 0.00 C ATOM 598 C GLY A 38 45.820 33.473 67.510 1.00 0.00 C ATOM 599 O GLY A 38 45.818 32.596 68.368 1.00 0.00 O ATOM 0 H GLY A 38 44.652 32.081 65.822 1.00 0.00 H new ATOM 0 HA2 GLY A 38 47.429 32.832 66.173 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.495 34.178 65.552 1.00 0.00 H new ATOM 603 N CYS A 39 45.258 34.719 67.748 1.00 0.00 N ATOM 604 CA CYS A 39 44.605 35.030 69.020 1.00 0.00 C ATOM 605 C CYS A 39 45.584 35.429 70.169 1.00 0.00 C ATOM 606 O CYS A 39 46.739 35.779 69.943 1.00 0.00 O ATOM 607 CB CYS A 39 43.538 36.118 68.783 1.00 0.00 C ATOM 608 SG CYS A 39 42.551 36.629 70.224 1.00 0.00 S ATOM 0 H CYS A 39 45.259 35.485 67.074 1.00 0.00 H new ATOM 0 HA CYS A 39 44.137 34.111 69.372 1.00 0.00 H new ATOM 0 HB2 CYS A 39 44.036 37.001 68.383 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.854 35.761 68.013 1.00 0.00 H new ATOM 613 N PHE A 40 45.040 35.373 71.441 1.00 0.00 N ATOM 614 CA PHE A 40 45.810 35.572 72.664 1.00 0.00 C ATOM 615 C PHE A 40 46.497 36.990 72.595 1.00 0.00 C ATOM 616 O PHE A 40 47.705 37.086 72.807 1.00 0.00 O ATOM 617 CB PHE A 40 46.795 34.423 73.013 1.00 0.00 C ATOM 618 CG PHE A 40 46.291 33.032 72.654 1.00 0.00 C ATOM 619 CD1 PHE A 40 45.418 32.294 73.461 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.739 32.434 71.471 1.00 0.00 C ATOM 621 CE1 PHE A 40 45.039 30.995 73.117 1.00 0.00 C ATOM 622 CE2 PHE A 40 46.370 31.142 71.116 1.00 0.00 C ATOM 623 CZ PHE A 40 45.532 30.405 71.951 1.00 0.00 C ATOM 0 H PHE A 40 44.052 35.187 71.611 1.00 0.00 H new ATOM 0 HA PHE A 40 45.117 35.543 73.505 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.738 34.599 72.495 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.007 34.455 74.082 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.030 32.737 74.366 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.390 32.992 70.815 1.00 0.00 H new ATOM 0 HE1 PHE A 40 44.363 30.445 73.754 1.00 0.00 H new ATOM 0 HE2 PHE A 40 46.732 30.710 70.195 1.00 0.00 H new ATOM 0 HZ PHE A 40 45.267 29.389 71.699 1.00 0.00 H new ATOM 633 N THR A 41 45.694 38.109 72.384 1.00 0.00 N ATOM 634 CA THR A 41 46.252 39.490 72.343 1.00 0.00 C ATOM 635 C THR A 41 45.564 40.316 73.498 1.00 0.00 C ATOM 636 O THR A 41 44.683 41.129 73.228 1.00 0.00 O ATOM 637 CB THR A 41 46.257 40.221 70.968 1.00 0.00 C ATOM 638 OG1 THR A 41 46.508 41.627 71.064 1.00 0.00 O ATOM 639 CG2 THR A 41 47.330 39.638 70.036 1.00 0.00 C ATOM 0 H THR A 41 44.685 38.063 72.245 1.00 0.00 H new ATOM 0 HA THR A 41 47.326 39.402 72.507 1.00 0.00 H new ATOM 0 HB THR A 41 45.253 40.067 70.572 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.499 42.023 70.168 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.311 40.167 69.083 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.312 39.753 70.495 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.130 38.580 69.867 1.00 0.00 H new ATOM 647 N PRO A 42 46.075 40.178 74.795 1.00 0.00 N ATOM 648 CA PRO A 42 45.539 40.933 75.950 1.00 0.00 C ATOM 649 C PRO A 42 46.559 42.120 76.134 1.00 0.00 C ATOM 650 O PRO A 42 47.550 42.014 76.851 1.00 0.00 O ATOM 651 CB PRO A 42 45.522 39.918 77.106 1.00 0.00 C ATOM 652 CG PRO A 42 46.746 39.034 76.816 1.00 0.00 C ATOM 653 CD PRO A 42 46.767 38.976 75.281 1.00 0.00 C ATOM 0 HA PRO A 42 44.536 41.351 75.862 1.00 0.00 H new ATOM 0 HB2 PRO A 42 45.602 40.410 78.075 1.00 0.00 H new ATOM 0 HB3 PRO A 42 44.600 39.337 77.118 1.00 0.00 H new ATOM 0 HG2 PRO A 42 47.662 39.467 77.217 1.00 0.00 H new ATOM 0 HG3 PRO A 42 46.643 38.043 77.257 1.00 0.00 H new ATOM 0 HD2 PRO A 42 47.792 38.945 74.910 1.00 0.00 H new ATOM 0 HD3 PRO A 42 46.271 38.074 74.923 1.00 0.00 H new ATOM 661 N ARG A 43 46.253 43.308 75.478 1.00 0.00 N ATOM 662 CA ARG A 43 47.069 44.552 75.493 1.00 0.00 C ATOM 663 C ARG A 43 48.058 44.421 74.283 1.00 0.00 C ATOM 664 O ARG A 43 49.184 43.948 74.421 1.00 0.00 O ATOM 665 CB ARG A 43 47.814 44.940 76.799 1.00 0.00 C ATOM 666 CG ARG A 43 48.364 46.393 76.789 1.00 0.00 C ATOM 667 CD ARG A 43 49.680 46.598 77.582 1.00 0.00 C ATOM 668 NE ARG A 43 50.921 46.046 76.957 1.00 0.00 N ATOM 669 CZ ARG A 43 51.442 46.406 75.791 1.00 0.00 C ATOM 670 NH1 ARG A 43 50.938 47.375 75.077 1.00 0.00 N ATOM 671 NH2 ARG A 43 52.501 45.786 75.340 1.00 0.00 N ATOM 0 H ARG A 43 45.407 43.407 74.917 1.00 0.00 H new ATOM 0 HA ARG A 43 46.370 45.385 75.419 1.00 0.00 H new ATOM 0 HB2 ARG A 43 47.135 44.822 77.644 1.00 0.00 H new ATOM 0 HB3 ARG A 43 48.641 44.248 76.956 1.00 0.00 H new ATOM 0 HG2 ARG A 43 48.529 46.696 75.755 1.00 0.00 H new ATOM 0 HG3 ARG A 43 47.603 47.057 77.199 1.00 0.00 H new ATOM 0 HD2 ARG A 43 49.822 47.667 77.739 1.00 0.00 H new ATOM 0 HD3 ARG A 43 49.561 46.144 78.566 1.00 0.00 H new ATOM 0 HE ARG A 43 51.416 45.322 77.478 1.00 0.00 H new ATOM 0 HH11 ARG A 43 50.118 47.882 75.411 1.00 0.00 H new ATOM 0 HH12 ARG A 43 51.364 47.626 74.185 1.00 0.00 H new ATOM 0 HH21 ARG A 43 52.920 45.032 75.884 1.00 0.00 H new ATOM 0 HH22 ARG A 43 52.908 46.057 74.445 1.00 0.00 H new ATOM 685 N GLY A 44 47.603 44.870 73.046 1.00 0.00 N ATOM 686 CA GLY A 44 48.440 44.766 71.837 1.00 0.00 C ATOM 687 C GLY A 44 49.179 46.067 71.417 1.00 0.00 C ATOM 688 O GLY A 44 48.734 47.174 71.707 1.00 0.00 O ATOM 0 H GLY A 44 46.686 45.290 72.892 1.00 0.00 H new ATOM 0 HA2 GLY A 44 49.182 43.984 71.997 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.810 44.443 71.008 1.00 0.00 H new ATOM 692 N ASP A 45 50.286 45.862 70.611 1.00 0.00 N ATOM 693 CA ASP A 45 51.116 46.967 70.058 1.00 0.00 C ATOM 694 C ASP A 45 51.191 46.879 68.481 1.00 0.00 C ATOM 695 O ASP A 45 52.137 47.332 67.840 1.00 0.00 O ATOM 696 CB ASP A 45 52.528 47.009 70.690 1.00 0.00 C ATOM 697 CG ASP A 45 52.538 47.241 72.220 1.00 0.00 C ATOM 698 OD1 ASP A 45 51.786 48.130 72.630 1.00 0.00 O ATOM 699 OD2 ASP A 45 53.294 46.517 72.876 1.00 0.00 O ATOM 0 H ASP A 45 50.611 44.934 70.339 1.00 0.00 H new ATOM 0 HA ASP A 45 50.627 47.904 70.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 53.037 46.070 70.474 1.00 0.00 H new ATOM 0 HB3 ASP A 45 53.104 47.801 70.211 1.00 0.00 H new ATOM 704 N MET A 46 50.089 46.327 67.869 1.00 0.00 N ATOM 705 CA MET A 46 49.895 46.111 66.439 1.00 0.00 C ATOM 706 C MET A 46 48.354 46.090 66.149 1.00 0.00 C ATOM 707 O MET A 46 47.560 45.909 67.074 1.00 0.00 O ATOM 708 CB MET A 46 50.531 44.771 65.986 1.00 0.00 C ATOM 709 CG MET A 46 49.865 43.512 66.588 1.00 0.00 C ATOM 710 SD MET A 46 50.873 42.017 66.423 1.00 0.00 S ATOM 711 CE MET A 46 49.944 41.005 67.598 1.00 0.00 C ATOM 0 H MET A 46 49.285 46.013 68.413 1.00 0.00 H new ATOM 0 HA MET A 46 50.379 46.915 65.885 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.482 44.709 64.899 1.00 0.00 H new ATOM 0 HB3 MET A 46 51.587 44.774 66.258 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.660 43.688 67.644 1.00 0.00 H new ATOM 0 HG3 MET A 46 48.904 43.349 66.099 1.00 0.00 H new ATOM 0 HE1 MET A 46 50.395 40.015 67.662 1.00 0.00 H new ATOM 0 HE2 MET A 46 49.964 41.477 68.580 1.00 0.00 H new ATOM 0 HE3 MET A 46 48.911 40.912 67.261 1.00 0.00 H new ATOM 721 N PRO A 47 47.917 46.282 64.839 1.00 0.00 N ATOM 722 CA PRO A 47 46.465 46.236 64.555 1.00 0.00 C ATOM 723 C PRO A 47 45.967 44.806 64.989 1.00 0.00 C ATOM 724 O PRO A 47 46.390 43.774 64.472 1.00 0.00 O ATOM 725 CB PRO A 47 46.320 46.546 63.048 1.00 0.00 C ATOM 726 CG PRO A 47 47.712 46.225 62.476 1.00 0.00 C ATOM 727 CD PRO A 47 48.654 46.617 63.623 1.00 0.00 C ATOM 0 HA PRO A 47 45.855 46.958 65.097 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.546 45.934 62.586 1.00 0.00 H new ATOM 0 HB3 PRO A 47 46.047 47.587 62.878 1.00 0.00 H new ATOM 0 HG2 PRO A 47 47.809 45.171 62.216 1.00 0.00 H new ATOM 0 HG3 PRO A 47 47.918 46.796 61.571 1.00 0.00 H new ATOM 0 HD2 PRO A 47 49.595 46.070 63.567 1.00 0.00 H new ATOM 0 HD3 PRO A 47 48.900 47.678 63.589 1.00 0.00 H new ATOM 735 N GLY A 48 45.006 44.766 66.000 1.00 0.00 N ATOM 736 CA GLY A 48 44.450 43.522 66.559 1.00 0.00 C ATOM 737 C GLY A 48 42.939 43.390 66.140 1.00 0.00 C ATOM 738 O GLY A 48 42.085 44.170 66.554 1.00 0.00 O ATOM 0 H GLY A 48 44.618 45.608 66.426 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.015 42.663 66.197 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.538 43.527 67.645 1.00 0.00 H new ATOM 742 N PRO A 49 42.643 42.316 65.319 1.00 0.00 N ATOM 743 CA PRO A 49 41.311 41.862 64.889 1.00 0.00 C ATOM 744 C PRO A 49 40.332 41.474 66.034 1.00 0.00 C ATOM 745 O PRO A 49 40.672 41.530 67.213 1.00 0.00 O ATOM 746 CB PRO A 49 41.641 40.512 64.225 1.00 0.00 C ATOM 747 CG PRO A 49 42.986 40.777 63.565 1.00 0.00 C ATOM 748 CD PRO A 49 43.699 41.575 64.632 1.00 0.00 C ATOM 0 HA PRO A 49 40.836 42.654 64.310 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.702 39.706 64.957 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.883 40.224 63.496 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.513 39.854 63.324 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.883 41.337 62.636 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.235 40.922 65.321 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.435 42.250 64.195 1.00 0.00 H new ATOM 756 N TYR A 50 39.087 41.023 65.618 1.00 0.00 N ATOM 757 CA TYR A 50 38.142 40.494 66.621 1.00 0.00 C ATOM 758 C TYR A 50 38.423 38.950 66.729 1.00 0.00 C ATOM 759 O TYR A 50 38.679 38.285 65.722 1.00 0.00 O ATOM 760 CB TYR A 50 36.602 40.754 66.421 1.00 0.00 C ATOM 761 CG TYR A 50 35.974 40.088 65.215 1.00 0.00 C ATOM 762 CD1 TYR A 50 36.105 40.633 63.941 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.200 38.935 65.343 1.00 0.00 C ATOM 764 CE1 TYR A 50 35.495 40.058 62.838 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.571 38.347 64.253 1.00 0.00 C ATOM 766 CZ TYR A 50 34.694 38.916 62.980 1.00 0.00 C ATOM 767 OH TYR A 50 34.093 38.385 61.870 1.00 0.00 O ATOM 0 H TYR A 50 38.753 41.023 64.654 1.00 0.00 H new ATOM 0 HA TYR A 50 38.339 41.059 67.532 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.076 40.416 67.314 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.441 41.829 66.344 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.697 41.527 63.809 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.086 38.486 66.319 1.00 0.00 H new ATOM 0 HE1 TYR A 50 35.638 40.493 61.860 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.986 37.449 64.388 1.00 0.00 H new ATOM 0 HH TYR A 50 33.572 37.596 62.126 1.00 0.00 H new ATOM 777 N CYS A 51 38.358 38.361 67.988 1.00 0.00 N ATOM 778 CA CYS A 51 38.768 36.954 68.164 1.00 0.00 C ATOM 779 C CYS A 51 37.599 36.016 68.604 1.00 0.00 C ATOM 780 O CYS A 51 36.704 36.362 69.371 1.00 0.00 O ATOM 781 CB CYS A 51 39.868 36.750 69.234 1.00 0.00 C ATOM 782 SG CYS A 51 41.326 37.819 69.059 1.00 0.00 S ATOM 0 H CYS A 51 38.040 38.831 68.836 1.00 0.00 H new ATOM 0 HA CYS A 51 39.135 36.697 67.170 1.00 0.00 H new ATOM 0 HB2 CYS A 51 39.431 36.918 70.218 1.00 0.00 H new ATOM 0 HB3 CYS A 51 40.194 35.710 69.203 1.00 0.00 H new ATOM 787 N CYS A 52 37.720 34.731 68.109 1.00 0.00 N ATOM 788 CA CYS A 52 36.890 33.606 68.539 1.00 0.00 C ATOM 789 C CYS A 52 37.792 32.629 69.363 1.00 0.00 C ATOM 790 O CYS A 52 38.965 32.415 69.055 1.00 0.00 O ATOM 791 CB CYS A 52 36.344 32.806 67.369 1.00 0.00 C ATOM 792 SG CYS A 52 35.050 31.553 67.673 1.00 0.00 S ATOM 0 H CYS A 52 38.407 34.476 67.399 1.00 0.00 H new ATOM 0 HA CYS A 52 36.056 34.012 69.111 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.949 33.516 66.642 1.00 0.00 H new ATOM 0 HB3 CYS A 52 37.186 32.300 66.896 1.00 0.00 H new ATOM 797 N GLU A 53 37.172 31.969 70.402 1.00 0.00 N ATOM 798 CA GLU A 53 37.858 30.902 71.155 1.00 0.00 C ATOM 799 C GLU A 53 36.934 29.636 71.263 1.00 0.00 C ATOM 800 O GLU A 53 37.061 28.795 72.152 1.00 0.00 O ATOM 801 CB GLU A 53 38.406 31.393 72.507 1.00 0.00 C ATOM 802 CG GLU A 53 37.359 31.703 73.598 1.00 0.00 C ATOM 803 CD GLU A 53 37.993 32.494 74.733 1.00 0.00 C ATOM 804 OE1 GLU A 53 37.877 33.694 74.912 1.00 0.00 O ATOM 805 OE2 GLU A 53 38.707 31.716 75.543 1.00 0.00 O ATOM 0 H GLU A 53 36.222 32.165 70.717 1.00 0.00 H new ATOM 0 HA GLU A 53 38.746 30.601 70.599 1.00 0.00 H new ATOM 0 HB2 GLU A 53 39.090 30.637 72.894 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.994 32.294 72.331 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.533 32.270 73.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.940 30.773 73.984 1.00 0.00 H new ATOM 813 N SER A 54 36.008 29.503 70.250 1.00 0.00 N ATOM 814 CA SER A 54 35.055 28.413 70.059 1.00 0.00 C ATOM 815 C SER A 54 35.190 27.844 68.616 1.00 0.00 C ATOM 816 O SER A 54 35.898 28.399 67.774 1.00 0.00 O ATOM 817 CB SER A 54 33.583 28.821 70.297 1.00 0.00 C ATOM 818 OG SER A 54 33.003 29.694 69.330 1.00 0.00 O ATOM 0 H SER A 54 35.925 30.209 69.518 1.00 0.00 H new ATOM 0 HA SER A 54 35.303 27.661 70.808 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.980 27.914 70.344 1.00 0.00 H new ATOM 0 HB3 SER A 54 33.515 29.300 71.274 1.00 0.00 H new ATOM 0 HG SER A 54 33.707 30.233 68.912 1.00 0.00 H new ATOM 824 N ASP A 55 34.483 26.685 68.343 1.00 0.00 N ATOM 825 CA ASP A 55 34.558 26.148 66.981 1.00 0.00 C ATOM 826 C ASP A 55 33.706 27.081 66.033 1.00 0.00 C ATOM 827 O ASP A 55 32.558 27.430 66.302 1.00 0.00 O ATOM 828 CB ASP A 55 34.095 24.680 66.897 1.00 0.00 C ATOM 829 CG ASP A 55 34.343 24.062 65.500 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.347 24.464 64.898 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.523 23.223 65.122 1.00 0.00 O ATOM 0 H ASP A 55 33.909 26.163 69.004 1.00 0.00 H new ATOM 0 HA ASP A 55 35.600 26.143 66.660 1.00 0.00 H new ATOM 0 HB2 ASP A 55 34.621 24.092 67.650 1.00 0.00 H new ATOM 0 HB3 ASP A 55 33.032 24.623 67.133 1.00 0.00 H new ATOM 836 N LYS A 56 34.352 27.508 64.877 1.00 0.00 N ATOM 837 CA LYS A 56 33.761 28.240 63.758 1.00 0.00 C ATOM 838 C LYS A 56 33.519 29.765 64.053 1.00 0.00 C ATOM 839 O LYS A 56 34.136 30.620 63.419 1.00 0.00 O ATOM 840 CB LYS A 56 32.484 27.615 63.146 1.00 0.00 C ATOM 841 CG LYS A 56 32.566 26.102 62.837 1.00 0.00 C ATOM 842 CD LYS A 56 33.666 25.667 61.851 1.00 0.00 C ATOM 843 CE LYS A 56 33.702 24.148 61.633 1.00 0.00 C ATOM 844 NZ LYS A 56 34.375 23.469 62.837 1.00 0.00 N ATOM 0 H LYS A 56 35.344 27.325 64.729 1.00 0.00 H new ATOM 0 HA LYS A 56 34.541 28.151 63.001 1.00 0.00 H new ATOM 0 HB2 LYS A 56 31.654 27.784 63.832 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.248 28.144 62.223 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.717 25.569 63.775 1.00 0.00 H new ATOM 0 HG3 LYS A 56 31.603 25.781 62.439 1.00 0.00 H new ATOM 0 HD2 LYS A 56 33.507 26.163 60.894 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.635 25.999 62.225 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.690 23.765 61.506 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.248 23.915 60.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 34.894 22.627 62.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 35.037 24.134 63.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.649 23.186 63.526 1.00 0.00 H new ATOM 858 N CYS A 57 32.531 30.075 64.971 1.00 0.00 N ATOM 859 CA CYS A 57 31.954 31.406 65.198 1.00 0.00 C ATOM 860 C CYS A 57 31.295 31.812 63.818 1.00 0.00 C ATOM 861 O CYS A 57 31.697 32.794 63.197 1.00 0.00 O ATOM 862 CB CYS A 57 32.830 32.542 65.777 1.00 0.00 C ATOM 863 SG CYS A 57 33.258 32.491 67.554 1.00 0.00 S ATOM 0 H CYS A 57 32.121 29.365 65.578 1.00 0.00 H new ATOM 0 HA CYS A 57 31.260 31.298 66.032 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.762 32.564 65.212 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.319 33.486 65.586 1.00 0.00 H new ATOM 868 N ASN A 58 30.240 31.011 63.398 1.00 0.00 N ATOM 869 CA ASN A 58 29.349 31.126 62.233 1.00 0.00 C ATOM 870 C ASN A 58 30.086 30.835 60.894 1.00 0.00 C ATOM 871 O ASN A 58 29.662 29.967 60.133 1.00 0.00 O ATOM 872 CB ASN A 58 28.497 32.400 62.126 1.00 0.00 C ATOM 873 CG ASN A 58 27.513 32.536 63.290 1.00 0.00 C ATOM 874 OD1 ASN A 58 26.968 31.584 63.819 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.257 33.807 63.672 1.00 0.00 N ATOM 0 H ASN A 58 29.991 30.188 63.947 1.00 0.00 H new ATOM 0 HA ASN A 58 28.618 30.341 62.426 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.151 33.272 62.102 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.946 32.389 61.186 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.591 33.990 64.423 1.00 0.00 H new ATOM 0 HD22 ASN A 58 27.730 34.584 63.209 1.00 0.00 H new ATOM 882 N LEU A 59 31.174 31.626 60.612 1.00 0.00 N ATOM 883 CA LEU A 59 31.990 31.548 59.403 1.00 0.00 C ATOM 884 C LEU A 59 33.400 32.154 59.824 1.00 0.00 C ATOM 885 O LEU A 59 33.508 33.387 59.749 1.00 0.00 O ATOM 886 CB LEU A 59 31.483 32.412 58.213 1.00 0.00 C ATOM 887 CG LEU A 59 30.219 32.145 57.357 1.00 0.00 C ATOM 888 CD1 LEU A 59 29.477 33.476 57.135 1.00 0.00 C ATOM 889 CD2 LEU A 59 30.570 31.515 55.998 1.00 0.00 C ATOM 890 OXT LEU A 59 34.262 31.381 60.257 1.00 0.00 O ATOM 0 H LEU A 59 31.496 32.349 61.255 1.00 0.00 H new ATOM 0 HA LEU A 59 31.989 30.513 59.061 1.00 0.00 H new ATOM 0 HB2 LEU A 59 31.358 33.418 58.614 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.312 32.452 57.506 1.00 0.00 H new ATOM 0 HG LEU A 59 29.586 31.438 57.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 28.585 33.300 56.533 1.00 0.00 H new ATOM 0 HD12 LEU A 59 29.188 33.896 58.098 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.132 34.176 56.616 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.656 31.344 55.429 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.223 32.189 55.442 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.081 30.565 56.158 1.00 0.00 H new TER 902 LEU A 59