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 24 LYS NZ :NH3+ -168:sc= 2.84 (180deg=0.116) USER MOD Set 1.2: A 50 TYR OH : rot 0:sc= 0.949 USER MOD Set 1.3: A 58 ASN : amide:sc= 1.15 K(o=4.9,f=-11!) USER MOD Set 2.1: A 6 HIS : no HD1:sc= -0.514 K(o=0.64,f=-1.6) USER MOD Set 2.2: A 13 THR OG1 : rot -78:sc= 1.16 USER MOD Single : A 1 ARG N :NH3+ -161:sc= 3.08 (180deg=2.4) USER MOD Single : A 4 TYR OH : rot -157:sc= 0.612 USER MOD Single : A 5 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.61) USER MOD Single : A 9 THR OG1 : rot 2:sc= 0.566 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= -0.0836 X(o=-0.084,f=-0.084) USER MOD Single : A 21 SER OG : rot 37:sc= 0.857 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -5.71! C(o=-5.7!,f=-5!) USER MOD Single : A 28 THR OG1 : rot -116:sc= 1.07 USER MOD Single : A 31 ASN : amide:sc=0.000187 X(o=0.00019,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 54 SER OG : rot 180:sc= 0.142 USER MOD Single : A 56 LYS NZ :NH3+ 159:sc= 0.858 (180deg=0.587) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 40.885 25.106 67.669 1.00 0.00 N ATOM 2 CA ARG A 1 39.465 25.044 67.046 1.00 0.00 C ATOM 3 C ARG A 1 39.575 25.306 65.501 1.00 0.00 C ATOM 4 O ARG A 1 40.639 25.739 65.066 1.00 0.00 O ATOM 5 CB ARG A 1 38.618 26.110 67.776 1.00 0.00 C ATOM 6 CG ARG A 1 37.070 25.991 67.797 1.00 0.00 C ATOM 7 CD ARG A 1 36.397 24.610 67.982 1.00 0.00 C ATOM 8 NE ARG A 1 36.712 23.685 69.092 1.00 0.00 N ATOM 9 CZ ARG A 1 37.524 23.849 70.115 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.620 24.985 70.746 1.00 0.00 N ATOM 11 NH2 ARG A 1 38.242 22.837 70.527 1.00 0.00 N ATOM 0 H1 ARG A 1 40.879 24.631 68.594 1.00 0.00 H new ATOM 0 H2 ARG A 1 41.562 24.630 67.039 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.167 26.099 67.792 1.00 0.00 H new ATOM 0 HA ARG A 1 38.991 24.070 67.165 1.00 0.00 H new ATOM 0 HB2 ARG A 1 38.955 26.138 68.812 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.863 27.076 67.335 1.00 0.00 H new ATOM 0 HG2 ARG A 1 36.707 26.637 68.597 1.00 0.00 H new ATOM 0 HG3 ARG A 1 36.701 26.407 66.859 1.00 0.00 H new ATOM 0 HD2 ARG A 1 35.325 24.797 68.035 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.579 24.056 67.061 1.00 0.00 H new ATOM 0 HE ARG A 1 36.229 22.787 69.060 1.00 0.00 H new ATOM 0 HH11 ARG A 1 37.056 25.782 70.451 1.00 0.00 H new ATOM 0 HH12 ARG A 1 38.260 25.078 71.535 1.00 0.00 H new ATOM 0 HH21 ARG A 1 38.169 21.935 70.057 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.875 22.950 71.319 1.00 0.00 H new ATOM 27 N ILE A 2 38.502 25.022 64.652 1.00 0.00 N ATOM 28 CA ILE A 2 38.607 25.248 63.177 1.00 0.00 C ATOM 29 C ILE A 2 38.051 26.668 62.789 1.00 0.00 C ATOM 30 O ILE A 2 37.058 27.159 63.325 1.00 0.00 O ATOM 31 CB ILE A 2 37.823 24.233 62.279 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.197 22.747 62.531 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.924 24.474 60.741 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.010 21.791 62.347 1.00 0.00 C ATOM 0 H ILE A 2 37.604 24.654 64.965 1.00 0.00 H new ATOM 0 HA ILE A 2 39.673 25.129 62.986 1.00 0.00 H new ATOM 0 HB ILE A 2 36.799 24.429 62.597 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.998 22.459 61.850 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.587 22.643 63.543 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.345 23.715 60.215 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.531 25.462 60.501 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.967 24.414 60.431 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.334 20.768 62.537 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.217 22.056 63.047 1.00 0.00 H new ATOM 0 HD13 ILE A 2 36.634 21.869 61.327 1.00 0.00 H new ATOM 46 N CYS A 3 38.727 27.305 61.757 1.00 0.00 N ATOM 47 CA CYS A 3 38.184 28.493 61.103 1.00 0.00 C ATOM 48 C CYS A 3 38.622 28.520 59.591 1.00 0.00 C ATOM 49 O CYS A 3 39.511 27.786 59.162 1.00 0.00 O ATOM 50 CB CYS A 3 38.590 29.857 61.714 1.00 0.00 C ATOM 51 SG CYS A 3 37.923 30.388 63.343 1.00 0.00 S ATOM 0 H CYS A 3 39.628 26.997 61.391 1.00 0.00 H new ATOM 0 HA CYS A 3 37.108 28.393 61.242 1.00 0.00 H new ATOM 0 HB2 CYS A 3 39.677 29.862 61.795 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.321 30.626 60.990 1.00 0.00 H new ATOM 56 N TYR A 4 37.957 29.417 58.769 1.00 0.00 N ATOM 57 CA TYR A 4 38.339 29.556 57.366 1.00 0.00 C ATOM 58 C TYR A 4 39.673 30.353 57.191 1.00 0.00 C ATOM 59 O TYR A 4 40.115 31.086 58.073 1.00 0.00 O ATOM 60 CB TYR A 4 37.307 30.420 56.596 1.00 0.00 C ATOM 61 CG TYR A 4 35.868 30.164 56.974 1.00 0.00 C ATOM 62 CD1 TYR A 4 35.093 29.206 56.331 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.276 30.890 58.005 1.00 0.00 C ATOM 64 CE1 TYR A 4 33.778 28.980 56.702 1.00 0.00 C ATOM 65 CE2 TYR A 4 33.966 30.678 58.398 1.00 0.00 C ATOM 66 CZ TYR A 4 33.184 29.728 57.735 1.00 0.00 C ATOM 67 OH TYR A 4 31.877 29.493 58.054 1.00 0.00 O ATOM 0 H TYR A 4 37.189 30.017 59.068 1.00 0.00 H new ATOM 0 HA TYR A 4 38.417 28.534 56.996 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.533 31.472 56.768 1.00 0.00 H new ATOM 0 HB3 TYR A 4 37.426 30.239 55.528 1.00 0.00 H new ATOM 0 HD1 TYR A 4 35.524 28.627 55.527 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.859 31.643 58.515 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.202 28.221 56.193 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.548 31.246 59.216 1.00 0.00 H new ATOM 0 HH TYR A 4 31.501 30.283 58.496 1.00 0.00 H new ATOM 77 N ASN A 5 40.242 30.258 55.935 1.00 0.00 N ATOM 78 CA ASN A 5 41.342 31.137 55.546 1.00 0.00 C ATOM 79 C ASN A 5 41.364 31.057 53.992 1.00 0.00 C ATOM 80 O ASN A 5 42.402 30.818 53.385 1.00 0.00 O ATOM 81 CB ASN A 5 42.675 30.728 56.191 1.00 0.00 C ATOM 82 CG ASN A 5 43.838 31.573 55.682 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.749 32.760 55.424 1.00 0.00 O ATOM 84 ND2 ASN A 5 44.997 30.891 55.540 1.00 0.00 N ATOM 0 H ASN A 5 39.948 29.595 55.217 1.00 0.00 H new ATOM 0 HA ASN A 5 41.199 32.160 55.894 1.00 0.00 H new ATOM 0 HB2 ASN A 5 42.600 30.829 57.274 1.00 0.00 H new ATOM 0 HB3 ASN A 5 42.872 29.677 55.982 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.833 31.371 55.207 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.035 29.897 55.766 1.00 0.00 H new ATOM 91 N HIS A 6 40.150 31.264 53.355 1.00 0.00 N ATOM 92 CA HIS A 6 39.958 31.294 51.903 1.00 0.00 C ATOM 93 C HIS A 6 40.158 32.775 51.395 1.00 0.00 C ATOM 94 O HIS A 6 40.888 33.556 52.002 1.00 0.00 O ATOM 95 CB HIS A 6 40.620 30.116 51.079 1.00 0.00 C ATOM 96 CG HIS A 6 41.999 30.319 50.538 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.798 29.248 50.082 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.786 31.414 50.330 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.994 29.657 49.668 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.992 30.990 49.796 1.00 0.00 N ATOM 0 H HIS A 6 39.283 31.414 53.872 1.00 0.00 H new ATOM 0 HA HIS A 6 38.925 31.029 51.676 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.640 29.233 51.718 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.964 29.887 50.239 1.00 0.00 H new ATOM 0 HD2 HIS A 6 42.515 32.437 50.545 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.802 29.040 49.303 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.765 31.603 49.538 1.00 0.00 H new ATOM 109 N LEU A 7 39.402 33.193 50.311 1.00 0.00 N ATOM 110 CA LEU A 7 39.341 34.584 49.881 1.00 0.00 C ATOM 111 C LEU A 7 40.721 35.162 49.412 1.00 0.00 C ATOM 112 O LEU A 7 41.705 34.448 49.227 1.00 0.00 O ATOM 113 CB LEU A 7 38.571 35.526 50.842 1.00 0.00 C ATOM 114 CG LEU A 7 37.330 34.962 51.584 1.00 0.00 C ATOM 115 CD1 LEU A 7 37.728 34.237 52.885 1.00 0.00 C ATOM 116 CD2 LEU A 7 36.349 36.098 51.914 1.00 0.00 C ATOM 0 H LEU A 7 38.839 32.560 49.742 1.00 0.00 H new ATOM 0 HA LEU A 7 38.722 34.552 48.985 1.00 0.00 H new ATOM 0 HB2 LEU A 7 39.275 35.882 51.594 1.00 0.00 H new ATOM 0 HB3 LEU A 7 38.249 36.396 50.269 1.00 0.00 H new ATOM 0 HG LEU A 7 36.851 34.241 50.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.833 33.856 53.377 1.00 0.00 H new ATOM 0 HD12 LEU A 7 38.395 33.407 52.650 1.00 0.00 H new ATOM 0 HD13 LEU A 7 38.238 34.935 53.549 1.00 0.00 H new ATOM 0 HD21 LEU A 7 35.482 35.691 52.434 1.00 0.00 H new ATOM 0 HD22 LEU A 7 36.843 36.832 52.551 1.00 0.00 H new ATOM 0 HD23 LEU A 7 36.025 36.579 50.991 1.00 0.00 H new ATOM 128 N GLY A 8 40.713 36.514 49.098 1.00 0.00 N ATOM 129 CA GLY A 8 41.872 37.156 48.470 1.00 0.00 C ATOM 130 C GLY A 8 41.770 37.019 46.944 1.00 0.00 C ATOM 131 O GLY A 8 41.872 37.994 46.207 1.00 0.00 O ATOM 0 H GLY A 8 39.926 37.138 49.275 1.00 0.00 H new ATOM 0 HA2 GLY A 8 41.913 38.209 48.749 1.00 0.00 H new ATOM 0 HA3 GLY A 8 42.793 36.695 48.826 1.00 0.00 H new ATOM 135 N THR A 9 41.637 35.725 46.489 1.00 0.00 N ATOM 136 CA THR A 9 41.574 35.360 45.082 1.00 0.00 C ATOM 137 C THR A 9 40.998 33.915 45.012 1.00 0.00 C ATOM 138 O THR A 9 40.143 33.625 44.178 1.00 0.00 O ATOM 139 CB THR A 9 42.947 35.368 44.336 1.00 0.00 C ATOM 140 OG1 THR A 9 43.560 36.661 44.318 1.00 0.00 O ATOM 141 CG2 THR A 9 42.898 34.955 42.852 1.00 0.00 C ATOM 0 H THR A 9 41.573 34.924 47.117 1.00 0.00 H new ATOM 0 HA THR A 9 40.958 36.110 44.586 1.00 0.00 H new ATOM 0 HB THR A 9 43.508 34.635 44.915 1.00 0.00 H new ATOM 0 HG1 THR A 9 43.003 37.294 44.817 1.00 0.00 H new ATOM 0 HG21 THR A 9 43.902 34.995 42.430 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.509 33.940 42.769 1.00 0.00 H new ATOM 0 HG23 THR A 9 42.248 35.638 42.306 1.00 0.00 H new ATOM 149 N LYS A 10 41.497 32.992 45.921 1.00 0.00 N ATOM 150 CA LYS A 10 41.143 31.555 45.890 1.00 0.00 C ATOM 151 C LYS A 10 40.169 31.180 47.077 1.00 0.00 C ATOM 152 O LYS A 10 40.503 31.413 48.231 1.00 0.00 O ATOM 153 CB LYS A 10 42.406 30.654 45.967 1.00 0.00 C ATOM 154 CG LYS A 10 43.058 30.409 44.589 1.00 0.00 C ATOM 155 CD LYS A 10 42.274 29.417 43.698 1.00 0.00 C ATOM 156 CE LYS A 10 42.935 29.282 42.321 1.00 0.00 C ATOM 157 NZ LYS A 10 42.085 28.485 41.326 1.00 0.00 N ATOM 0 H LYS A 10 42.141 33.240 46.672 1.00 0.00 H new ATOM 0 HA LYS A 10 40.639 31.378 44.940 1.00 0.00 H new ATOM 0 HB2 LYS A 10 43.136 31.117 46.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 42.135 29.696 46.410 1.00 0.00 H new ATOM 0 HG2 LYS A 10 43.148 31.361 44.065 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.069 30.030 44.738 1.00 0.00 H new ATOM 0 HD2 LYS A 10 42.231 28.442 44.183 1.00 0.00 H new ATOM 0 HD3 LYS A 10 41.246 29.761 43.581 1.00 0.00 H new ATOM 0 HE2 LYS A 10 43.123 30.276 41.915 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.904 28.795 42.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 42.582 28.427 40.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 41.926 27.526 41.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 41.170 28.961 41.192 1.00 0.00 H new ATOM 171 N PRO A 11 38.991 30.471 46.793 1.00 0.00 N ATOM 172 CA PRO A 11 37.991 30.156 47.855 1.00 0.00 C ATOM 173 C PRO A 11 38.008 28.723 48.566 1.00 0.00 C ATOM 174 O PRO A 11 37.183 28.602 49.472 1.00 0.00 O ATOM 175 CB PRO A 11 36.622 30.456 47.195 1.00 0.00 C ATOM 176 CG PRO A 11 36.874 30.155 45.713 1.00 0.00 C ATOM 177 CD PRO A 11 38.290 30.698 45.521 1.00 0.00 C ATOM 0 HA PRO A 11 38.244 30.769 48.720 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.831 29.828 47.605 1.00 0.00 H new ATOM 0 HB3 PRO A 11 36.319 31.491 47.350 1.00 0.00 H new ATOM 0 HG2 PRO A 11 36.812 29.089 45.496 1.00 0.00 H new ATOM 0 HG3 PRO A 11 36.153 30.655 45.066 1.00 0.00 H new ATOM 0 HD2 PRO A 11 38.795 30.187 44.701 1.00 0.00 H new ATOM 0 HD3 PRO A 11 38.270 31.759 45.271 1.00 0.00 H new ATOM 185 N PRO A 12 38.964 27.713 48.362 1.00 0.00 N ATOM 186 CA PRO A 12 38.771 26.389 49.026 1.00 0.00 C ATOM 187 C PRO A 12 39.356 26.014 50.433 1.00 0.00 C ATOM 188 O PRO A 12 38.855 25.031 50.985 1.00 0.00 O ATOM 189 CB PRO A 12 39.490 25.391 48.089 1.00 0.00 C ATOM 190 CG PRO A 12 39.301 26.000 46.705 1.00 0.00 C ATOM 191 CD PRO A 12 39.468 27.488 47.004 1.00 0.00 C ATOM 0 HA PRO A 12 37.695 26.387 49.197 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.545 25.292 48.343 1.00 0.00 H new ATOM 0 HB3 PRO A 12 39.052 24.395 48.152 1.00 0.00 H new ATOM 0 HG2 PRO A 12 40.043 25.639 45.993 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.320 25.773 46.287 1.00 0.00 H new ATOM 0 HD2 PRO A 12 40.515 27.781 46.928 1.00 0.00 H new ATOM 0 HD3 PRO A 12 38.915 28.090 46.283 1.00 0.00 H new ATOM 199 N THR A 13 40.419 26.687 51.028 1.00 0.00 N ATOM 200 CA THR A 13 41.004 26.150 52.277 1.00 0.00 C ATOM 201 C THR A 13 40.368 26.662 53.615 1.00 0.00 C ATOM 202 O THR A 13 40.102 27.840 53.845 1.00 0.00 O ATOM 203 CB THR A 13 42.534 26.383 52.431 1.00 0.00 C ATOM 204 OG1 THR A 13 42.927 27.744 52.615 1.00 0.00 O ATOM 205 CG2 THR A 13 43.369 25.835 51.261 1.00 0.00 C ATOM 0 H THR A 13 40.846 27.542 50.673 1.00 0.00 H new ATOM 0 HA THR A 13 40.774 25.093 52.140 1.00 0.00 H new ATOM 0 HB THR A 13 42.741 25.825 53.344 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.906 28.210 51.753 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.425 26.036 51.442 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.214 24.759 51.176 1.00 0.00 H new ATOM 0 HG23 THR A 13 43.061 26.321 50.335 1.00 0.00 H new ATOM 213 N THR A 14 40.277 25.681 54.581 1.00 0.00 N ATOM 214 CA THR A 14 39.862 25.868 55.968 1.00 0.00 C ATOM 215 C THR A 14 40.946 25.162 56.854 1.00 0.00 C ATOM 216 O THR A 14 41.452 24.085 56.537 1.00 0.00 O ATOM 217 CB THR A 14 38.470 25.316 56.272 1.00 0.00 C ATOM 218 OG1 THR A 14 38.318 23.901 56.132 1.00 0.00 O ATOM 219 CG2 THR A 14 37.412 25.973 55.362 1.00 0.00 C ATOM 0 H THR A 14 40.507 24.709 54.376 1.00 0.00 H new ATOM 0 HA THR A 14 39.789 26.935 56.179 1.00 0.00 H new ATOM 0 HB THR A 14 38.329 25.556 57.326 1.00 0.00 H new ATOM 0 HG1 THR A 14 37.397 23.648 56.349 1.00 0.00 H new ATOM 0 HG21 THR A 14 36.428 25.566 55.595 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.407 27.050 55.528 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.652 25.768 54.319 1.00 0.00 H new ATOM 227 N GLU A 15 41.302 25.819 58.015 1.00 0.00 N ATOM 228 CA GLU A 15 42.424 25.382 58.872 1.00 0.00 C ATOM 229 C GLU A 15 41.869 24.664 60.142 1.00 0.00 C ATOM 230 O GLU A 15 41.205 25.272 60.982 1.00 0.00 O ATOM 231 CB GLU A 15 43.267 26.574 59.379 1.00 0.00 C ATOM 232 CG GLU A 15 44.207 27.236 58.342 1.00 0.00 C ATOM 233 CD GLU A 15 44.415 28.723 58.626 1.00 0.00 C ATOM 234 OE1 GLU A 15 43.631 29.467 59.187 1.00 0.00 O ATOM 235 OE2 GLU A 15 45.582 29.150 58.153 1.00 0.00 O ATOM 0 H GLU A 15 40.818 26.648 58.361 1.00 0.00 H new ATOM 0 HA GLU A 15 43.042 24.723 58.262 1.00 0.00 H new ATOM 0 HB2 GLU A 15 42.588 27.336 59.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 43.871 26.234 60.220 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.171 26.727 58.349 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.789 27.113 57.343 1.00 0.00 H new ATOM 243 N THR A 16 42.219 23.332 60.317 1.00 0.00 N ATOM 244 CA THR A 16 41.869 22.609 61.556 1.00 0.00 C ATOM 245 C THR A 16 43.041 22.973 62.520 1.00 0.00 C ATOM 246 O THR A 16 44.163 22.486 62.373 1.00 0.00 O ATOM 247 CB THR A 16 41.691 21.071 61.421 1.00 0.00 C ATOM 248 OG1 THR A 16 40.558 20.824 60.581 1.00 0.00 O ATOM 249 CG2 THR A 16 41.493 20.380 62.779 1.00 0.00 C ATOM 0 H THR A 16 42.725 22.776 59.628 1.00 0.00 H new ATOM 0 HA THR A 16 40.881 22.911 61.905 1.00 0.00 H new ATOM 0 HB THR A 16 42.601 20.656 60.987 1.00 0.00 H new ATOM 0 HG1 THR A 16 40.429 19.858 60.481 1.00 0.00 H new ATOM 0 HG21 THR A 16 41.374 19.307 62.627 1.00 0.00 H new ATOM 0 HG22 THR A 16 42.363 20.563 63.410 1.00 0.00 H new ATOM 0 HG23 THR A 16 40.602 20.779 63.264 1.00 0.00 H new ATOM 257 N CYS A 17 42.759 23.824 63.588 1.00 0.00 N ATOM 258 CA CYS A 17 43.869 24.402 64.363 1.00 0.00 C ATOM 259 C CYS A 17 43.915 23.906 65.844 1.00 0.00 C ATOM 260 O CYS A 17 42.909 23.658 66.509 1.00 0.00 O ATOM 261 CB CYS A 17 43.771 25.921 64.410 1.00 0.00 C ATOM 262 SG CYS A 17 45.392 26.706 64.593 1.00 0.00 S ATOM 0 H CYS A 17 41.824 24.093 63.893 1.00 0.00 H new ATOM 0 HA CYS A 17 44.771 24.074 63.846 1.00 0.00 H new ATOM 0 HB2 CYS A 17 43.296 26.281 63.497 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.130 26.216 65.241 1.00 0.00 H new ATOM 267 N GLN A 18 45.194 23.883 66.366 1.00 0.00 N ATOM 268 CA GLN A 18 45.527 23.464 67.723 1.00 0.00 C ATOM 269 C GLN A 18 45.291 24.593 68.774 1.00 0.00 C ATOM 270 O GLN A 18 45.473 24.326 69.964 1.00 0.00 O ATOM 271 CB GLN A 18 47.001 23.007 67.780 1.00 0.00 C ATOM 272 CG GLN A 18 47.365 21.785 66.909 1.00 0.00 C ATOM 273 CD GLN A 18 46.514 20.583 67.314 1.00 0.00 C ATOM 274 OE1 GLN A 18 46.786 19.865 68.258 1.00 0.00 O ATOM 275 NE2 GLN A 18 45.422 20.373 66.542 1.00 0.00 N ATOM 0 H GLN A 18 46.011 24.164 65.824 1.00 0.00 H new ATOM 0 HA GLN A 18 44.863 22.638 67.977 1.00 0.00 H new ATOM 0 HB2 GLN A 18 47.632 23.843 67.479 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.249 22.777 68.816 1.00 0.00 H new ATOM 0 HG2 GLN A 18 47.203 22.017 65.856 1.00 0.00 H new ATOM 0 HG3 GLN A 18 48.423 21.548 67.024 1.00 0.00 H new ATOM 0 HE21 GLN A 18 45.224 20.995 65.758 1.00 0.00 H new ATOM 0 HE22 GLN A 18 44.797 19.593 66.744 1.00 0.00 H new ATOM 284 N GLU A 19 44.880 25.861 68.387 1.00 0.00 N ATOM 285 CA GLU A 19 44.691 26.938 69.364 1.00 0.00 C ATOM 286 C GLU A 19 43.173 27.086 69.679 1.00 0.00 C ATOM 287 O GLU A 19 42.290 27.104 68.818 1.00 0.00 O ATOM 288 CB GLU A 19 45.297 28.271 68.890 1.00 0.00 C ATOM 289 CG GLU A 19 46.841 28.209 68.925 1.00 0.00 C ATOM 290 CD GLU A 19 47.468 29.389 68.209 1.00 0.00 C ATOM 291 OE1 GLU A 19 47.942 30.371 68.735 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.458 29.202 66.886 1.00 0.00 O ATOM 0 H GLU A 19 44.685 26.128 67.422 1.00 0.00 H new ATOM 0 HA GLU A 19 45.225 26.670 70.276 1.00 0.00 H new ATOM 0 HB2 GLU A 19 44.959 28.491 67.877 1.00 0.00 H new ATOM 0 HB3 GLU A 19 44.946 29.083 69.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 47.181 28.190 69.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.178 27.282 68.462 1.00 0.00 H new ATOM 300 N ASP A 20 42.947 27.259 71.029 1.00 0.00 N ATOM 301 CA ASP A 20 41.673 27.354 71.726 1.00 0.00 C ATOM 302 C ASP A 20 40.688 28.313 70.971 1.00 0.00 C ATOM 303 O ASP A 20 39.489 28.044 70.894 1.00 0.00 O ATOM 304 CB ASP A 20 41.121 26.037 72.280 1.00 0.00 C ATOM 305 CG ASP A 20 40.711 24.839 71.396 1.00 0.00 C ATOM 306 OD1 ASP A 20 40.932 24.856 70.185 1.00 0.00 O ATOM 307 OD2 ASP A 20 40.144 23.958 72.057 1.00 0.00 O ATOM 0 H ASP A 20 43.730 27.338 71.678 1.00 0.00 H new ATOM 0 HA ASP A 20 41.853 27.853 72.678 1.00 0.00 H new ATOM 0 HB2 ASP A 20 41.870 25.661 72.976 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.241 26.298 72.868 1.00 0.00 H new ATOM 312 N SER A 21 41.215 29.513 70.506 1.00 0.00 N ATOM 313 CA SER A 21 40.402 30.564 69.881 1.00 0.00 C ATOM 314 C SER A 21 40.981 31.051 68.501 1.00 0.00 C ATOM 315 O SER A 21 42.186 31.093 68.243 1.00 0.00 O ATOM 316 CB SER A 21 40.203 31.775 70.827 1.00 0.00 C ATOM 317 OG SER A 21 39.450 32.870 70.316 1.00 0.00 O ATOM 0 H SER A 21 42.206 29.746 70.567 1.00 0.00 H new ATOM 0 HA SER A 21 39.433 30.105 69.686 1.00 0.00 H new ATOM 0 HB2 SER A 21 39.715 31.421 71.735 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.186 32.145 71.118 1.00 0.00 H new ATOM 0 HG SER A 21 38.723 32.532 69.753 1.00 0.00 H new ATOM 323 N CYS A 22 40.018 31.443 67.581 1.00 0.00 N ATOM 324 CA CYS A 22 40.381 31.925 66.255 1.00 0.00 C ATOM 325 C CYS A 22 39.569 33.198 65.827 1.00 0.00 C ATOM 326 O CYS A 22 38.496 33.488 66.347 1.00 0.00 O ATOM 327 CB CYS A 22 40.436 30.742 65.244 1.00 0.00 C ATOM 328 SG CYS A 22 39.017 29.634 64.884 1.00 0.00 S ATOM 0 H CYS A 22 39.014 31.422 67.762 1.00 0.00 H new ATOM 0 HA CYS A 22 41.399 32.314 66.271 1.00 0.00 H new ATOM 0 HB2 CYS A 22 40.737 31.172 64.289 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.250 30.097 65.574 1.00 0.00 H new ATOM 333 N TYR A 23 40.174 34.009 64.872 1.00 0.00 N ATOM 334 CA TYR A 23 39.764 35.421 64.726 1.00 0.00 C ATOM 335 C TYR A 23 39.489 35.923 63.279 1.00 0.00 C ATOM 336 O TYR A 23 40.041 35.421 62.299 1.00 0.00 O ATOM 337 CB TYR A 23 40.895 36.337 65.324 1.00 0.00 C ATOM 338 CG TYR A 23 42.220 36.122 64.618 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.538 36.779 63.431 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.156 35.217 65.114 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.721 36.534 62.752 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.356 34.971 64.462 1.00 0.00 C ATOM 343 CZ TYR A 23 44.656 35.617 63.263 1.00 0.00 C ATOM 344 OH TYR A 23 45.809 35.395 62.572 1.00 0.00 O ATOM 0 H TYR A 23 40.909 33.704 64.234 1.00 0.00 H new ATOM 0 HA TYR A 23 38.810 35.480 65.251 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.601 37.383 65.236 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.010 36.126 66.387 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.842 37.500 63.028 1.00 0.00 H new ATOM 0 HD2 TYR A 23 42.941 34.692 66.033 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.926 37.050 61.826 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.063 34.274 64.886 1.00 0.00 H new ATOM 0 HH TYR A 23 46.355 34.737 63.050 1.00 0.00 H new ATOM 354 N LYS A 24 38.630 37.019 63.222 1.00 0.00 N ATOM 355 CA LYS A 24 38.246 37.698 61.980 1.00 0.00 C ATOM 356 C LYS A 24 39.119 39.011 61.838 1.00 0.00 C ATOM 357 O LYS A 24 39.129 39.905 62.683 1.00 0.00 O ATOM 358 CB LYS A 24 36.761 38.114 61.957 1.00 0.00 C ATOM 359 CG LYS A 24 35.640 37.062 62.127 1.00 0.00 C ATOM 360 CD LYS A 24 35.268 36.606 63.555 1.00 0.00 C ATOM 361 CE LYS A 24 34.000 35.739 63.558 1.00 0.00 C ATOM 362 NZ LYS A 24 32.856 36.486 62.849 1.00 0.00 N ATOM 0 H LYS A 24 38.204 37.429 64.053 1.00 0.00 H new ATOM 0 HA LYS A 24 38.411 36.997 61.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.625 38.857 62.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.585 38.619 61.007 1.00 0.00 H new ATOM 0 HG2 LYS A 24 34.739 37.460 61.661 1.00 0.00 H new ATOM 0 HG3 LYS A 24 35.928 36.176 61.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 36.096 36.043 63.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 35.114 37.480 64.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.195 34.792 63.055 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.712 35.503 64.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.957 35.994 63.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.798 37.458 63.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.039 36.511 61.826 1.00 0.00 H new ATOM 376 N ASN A 25 39.840 39.121 60.667 1.00 0.00 N ATOM 377 CA ASN A 25 40.752 40.224 60.291 1.00 0.00 C ATOM 378 C ASN A 25 40.073 40.800 58.973 1.00 0.00 C ATOM 379 O ASN A 25 40.012 40.115 57.951 1.00 0.00 O ATOM 380 CB ASN A 25 42.142 39.642 60.090 1.00 0.00 C ATOM 381 CG ASN A 25 43.223 40.672 59.897 1.00 0.00 C ATOM 382 OD1 ASN A 25 44.066 40.946 60.728 1.00 0.00 O ATOM 383 ND2 ASN A 25 43.167 41.291 58.709 1.00 0.00 N ATOM 0 H ASN A 25 39.787 38.405 59.942 1.00 0.00 H new ATOM 0 HA ASN A 25 40.886 41.019 61.025 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.393 39.026 60.953 1.00 0.00 H new ATOM 0 HB3 ASN A 25 42.125 38.983 59.222 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.846 42.017 58.480 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.446 41.036 58.035 1.00 0.00 H new ATOM 390 N ILE A 26 39.577 42.111 59.009 1.00 0.00 N ATOM 391 CA ILE A 26 38.486 42.547 58.074 1.00 0.00 C ATOM 392 C ILE A 26 38.797 43.725 57.082 1.00 0.00 C ATOM 393 O ILE A 26 38.163 43.845 56.037 1.00 0.00 O ATOM 394 CB ILE A 26 37.207 42.854 58.900 1.00 0.00 C ATOM 395 CG1 ILE A 26 37.047 44.269 59.524 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.953 41.765 59.972 1.00 0.00 C ATOM 397 CD1 ILE A 26 38.076 44.757 60.559 1.00 0.00 C ATOM 0 H ILE A 26 39.908 42.835 59.647 1.00 0.00 H new ATOM 0 HA ILE A 26 38.356 41.700 57.400 1.00 0.00 H new ATOM 0 HB ILE A 26 36.440 42.841 58.126 1.00 0.00 H new ATOM 0 HG12 ILE A 26 37.039 44.989 58.706 1.00 0.00 H new ATOM 0 HG13 ILE A 26 36.065 44.310 59.994 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.051 42.010 60.533 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.827 40.798 59.485 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.803 41.720 60.653 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.812 45.762 60.889 1.00 0.00 H new ATOM 0 HD12 ILE A 26 38.078 44.083 61.416 1.00 0.00 H new ATOM 0 HD13 ILE A 26 39.068 44.772 60.107 1.00 0.00 H new ATOM 409 N TRP A 27 39.763 44.618 57.481 1.00 0.00 N ATOM 410 CA TRP A 27 40.477 45.683 56.767 1.00 0.00 C ATOM 411 C TRP A 27 41.323 44.978 55.608 1.00 0.00 C ATOM 412 O TRP A 27 40.797 44.559 54.582 1.00 0.00 O ATOM 413 CB TRP A 27 41.402 46.434 57.814 1.00 0.00 C ATOM 414 CG TRP A 27 41.890 45.508 58.904 1.00 0.00 C ATOM 415 CD1 TRP A 27 42.092 44.113 58.733 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.957 45.686 60.287 1.00 0.00 C ATOM 417 NE1 TRP A 27 42.134 43.446 59.914 1.00 0.00 N ATOM 418 CE2 TRP A 27 42.072 44.426 60.877 1.00 0.00 C ATOM 419 CE3 TRP A 27 41.754 46.786 61.153 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.979 44.155 62.201 1.00 0.00 C ATOM 421 CZ3 TRP A 27 41.676 46.558 62.521 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.786 45.252 63.045 1.00 0.00 C ATOM 0 H TRP A 27 40.087 44.583 58.448 1.00 0.00 H new ATOM 0 HA TRP A 27 39.811 46.420 56.318 1.00 0.00 H new ATOM 0 HB2 TRP A 27 42.258 46.867 57.296 1.00 0.00 H new ATOM 0 HB3 TRP A 27 40.848 47.260 58.261 1.00 0.00 H new ATOM 0 HD1 TRP A 27 42.200 43.636 57.770 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.198 42.438 60.056 1.00 0.00 H new ATOM 0 HE3 TRP A 27 41.661 47.787 60.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.050 43.147 62.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 41.529 47.391 63.193 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.720 45.099 64.112 1.00 0.00 H new ATOM 433 N THR A 28 42.696 44.859 55.811 1.00 0.00 N ATOM 434 CA THR A 28 43.656 44.227 54.902 1.00 0.00 C ATOM 435 C THR A 28 43.978 45.160 53.683 1.00 0.00 C ATOM 436 O THR A 28 43.220 46.058 53.322 1.00 0.00 O ATOM 437 CB THR A 28 43.358 42.791 54.377 1.00 0.00 C ATOM 438 OG1 THR A 28 44.539 42.226 53.811 1.00 0.00 O ATOM 439 CG2 THR A 28 42.752 41.784 55.362 1.00 0.00 C ATOM 0 H THR A 28 43.144 45.224 56.651 1.00 0.00 H new ATOM 0 HA THR A 28 44.512 44.088 55.562 1.00 0.00 H new ATOM 0 HB THR A 28 42.570 42.956 53.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 44.401 42.070 52.853 1.00 0.00 H new ATOM 0 HG21 THR A 28 42.599 40.829 54.859 1.00 0.00 H new ATOM 0 HG22 THR A 28 43.430 41.646 56.204 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.795 42.160 55.724 1.00 0.00 H new ATOM 447 N PHE A 29 45.173 44.895 53.029 1.00 0.00 N ATOM 448 CA PHE A 29 45.515 45.601 51.800 1.00 0.00 C ATOM 449 C PHE A 29 44.465 45.252 50.705 1.00 0.00 C ATOM 450 O PHE A 29 44.011 46.145 49.992 1.00 0.00 O ATOM 451 CB PHE A 29 46.930 45.296 51.286 1.00 0.00 C ATOM 452 CG PHE A 29 47.957 46.040 52.114 1.00 0.00 C ATOM 453 CD1 PHE A 29 48.312 47.349 51.771 1.00 0.00 C ATOM 454 CD2 PHE A 29 48.549 45.476 53.248 1.00 0.00 C ATOM 455 CE1 PHE A 29 49.207 48.088 52.543 1.00 0.00 C ATOM 456 CE2 PHE A 29 49.447 46.203 54.033 1.00 0.00 C ATOM 457 CZ PHE A 29 49.774 47.520 53.689 1.00 0.00 C ATOM 0 H PHE A 29 45.868 44.218 53.345 1.00 0.00 H new ATOM 0 HA PHE A 29 45.501 46.667 52.029 1.00 0.00 H new ATOM 0 HB2 PHE A 29 47.120 44.224 51.335 1.00 0.00 H new ATOM 0 HB3 PHE A 29 47.016 45.587 50.239 1.00 0.00 H new ATOM 0 HD1 PHE A 29 47.883 47.798 50.887 1.00 0.00 H new ATOM 0 HD2 PHE A 29 48.308 44.460 53.522 1.00 0.00 H new ATOM 0 HE1 PHE A 29 49.462 49.098 52.257 1.00 0.00 H new ATOM 0 HE2 PHE A 29 49.890 45.748 54.907 1.00 0.00 H new ATOM 0 HZ PHE A 29 50.456 48.091 54.301 1.00 0.00 H new ATOM 467 N ASP A 30 44.089 43.929 50.579 1.00 0.00 N ATOM 468 CA ASP A 30 43.149 43.426 49.590 1.00 0.00 C ATOM 469 C ASP A 30 41.637 43.782 49.887 1.00 0.00 C ATOM 470 O ASP A 30 40.822 43.454 49.023 1.00 0.00 O ATOM 471 CB ASP A 30 43.383 41.932 49.268 1.00 0.00 C ATOM 472 CG ASP A 30 43.717 40.865 50.346 1.00 0.00 C ATOM 473 OD1 ASP A 30 44.166 41.223 51.436 1.00 0.00 O ATOM 474 OD2 ASP A 30 43.538 39.707 49.948 1.00 0.00 O ATOM 0 H ASP A 30 44.455 43.197 51.188 1.00 0.00 H new ATOM 0 HA ASP A 30 43.369 43.975 48.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 42.484 41.583 48.759 1.00 0.00 H new ATOM 0 HB3 ASP A 30 44.194 41.898 48.541 1.00 0.00 H new ATOM 479 N ASN A 31 41.206 44.480 51.018 1.00 0.00 N ATOM 480 CA ASN A 31 39.803 44.863 51.256 1.00 0.00 C ATOM 481 C ASN A 31 39.007 43.525 51.341 1.00 0.00 C ATOM 482 O ASN A 31 38.205 43.206 50.461 1.00 0.00 O ATOM 483 CB ASN A 31 39.209 45.866 50.253 1.00 0.00 C ATOM 484 CG ASN A 31 37.891 46.421 50.782 1.00 0.00 C ATOM 485 OD1 ASN A 31 37.830 47.358 51.556 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.783 45.794 50.327 1.00 0.00 N ATOM 0 H ASN A 31 41.839 44.774 51.762 1.00 0.00 H new ATOM 0 HA ASN A 31 39.736 45.432 52.183 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.913 46.681 50.082 1.00 0.00 H new ATOM 0 HB3 ASN A 31 39.047 45.378 49.292 1.00 0.00 H new ATOM 0 HD21 ASN A 31 35.860 46.104 50.632 1.00 0.00 H new ATOM 0 HD22 ASN A 31 36.870 45.011 49.679 1.00 0.00 H new ATOM 493 N ILE A 32 39.211 42.745 52.474 1.00 0.00 N ATOM 494 CA ILE A 32 38.597 41.423 52.503 1.00 0.00 C ATOM 495 C ILE A 32 38.628 40.800 53.937 1.00 0.00 C ATOM 496 O ILE A 32 39.448 41.157 54.781 1.00 0.00 O ATOM 497 CB ILE A 32 39.302 40.440 51.514 1.00 0.00 C ATOM 498 CG1 ILE A 32 38.506 39.198 51.055 1.00 0.00 C ATOM 499 CG2 ILE A 32 40.682 40.013 52.054 1.00 0.00 C ATOM 500 CD1 ILE A 32 37.182 39.498 50.332 1.00 0.00 C ATOM 0 H ILE A 32 39.754 43.010 53.296 1.00 0.00 H new ATOM 0 HA ILE A 32 37.561 41.563 52.196 1.00 0.00 H new ATOM 0 HB ILE A 32 39.397 41.037 50.607 1.00 0.00 H new ATOM 0 HG12 ILE A 32 39.137 38.606 50.392 1.00 0.00 H new ATOM 0 HG13 ILE A 32 38.293 38.580 51.927 1.00 0.00 H new ATOM 0 HG21 ILE A 32 41.153 39.329 51.348 1.00 0.00 H new ATOM 0 HG22 ILE A 32 41.311 40.894 52.181 1.00 0.00 H new ATOM 0 HG23 ILE A 32 40.558 39.514 53.015 1.00 0.00 H new ATOM 0 HD11 ILE A 32 36.700 38.561 50.051 1.00 0.00 H new ATOM 0 HD12 ILE A 32 36.524 40.059 50.995 1.00 0.00 H new ATOM 0 HD13 ILE A 32 37.382 40.086 49.436 1.00 0.00 H new ATOM 512 N ILE A 33 37.692 39.806 54.186 1.00 0.00 N ATOM 513 CA ILE A 33 37.655 39.086 55.476 1.00 0.00 C ATOM 514 C ILE A 33 38.550 37.827 55.222 1.00 0.00 C ATOM 515 O ILE A 33 38.081 36.788 54.767 1.00 0.00 O ATOM 516 CB ILE A 33 36.258 38.718 55.997 1.00 0.00 C ATOM 517 CG1 ILE A 33 35.305 39.928 56.170 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.356 37.912 57.313 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.823 39.519 56.261 1.00 0.00 C ATOM 0 H ILE A 33 36.983 39.509 53.516 1.00 0.00 H new ATOM 0 HA ILE A 33 38.016 39.728 56.279 1.00 0.00 H new ATOM 0 HB ILE A 33 35.812 38.096 55.221 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.581 40.475 57.072 1.00 0.00 H new ATOM 0 HG13 ILE A 33 35.437 40.610 55.330 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.354 37.663 57.663 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.917 36.994 57.137 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.866 38.510 58.069 1.00 0.00 H new ATOM 0 HD11 ILE A 33 33.206 40.410 56.381 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.533 38.997 55.349 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.679 38.860 57.117 1.00 0.00 H new ATOM 531 N ARG A 34 39.898 37.934 55.515 1.00 0.00 N ATOM 532 CA ARG A 34 40.862 36.848 55.242 1.00 0.00 C ATOM 533 C ARG A 34 41.800 36.908 56.476 1.00 0.00 C ATOM 534 O ARG A 34 42.387 37.920 56.854 1.00 0.00 O ATOM 535 CB ARG A 34 41.591 36.977 53.897 1.00 0.00 C ATOM 536 CG ARG A 34 42.520 35.799 53.522 1.00 0.00 C ATOM 537 CD ARG A 34 43.956 35.865 54.072 1.00 0.00 C ATOM 538 NE ARG A 34 44.827 37.032 53.781 1.00 0.00 N ATOM 539 CZ ARG A 34 44.688 37.972 52.858 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.971 37.788 51.788 1.00 0.00 N ATOM 541 NH2 ARG A 34 45.292 39.120 53.009 1.00 0.00 N ATOM 0 H ARG A 34 40.317 38.763 55.936 1.00 0.00 H new ATOM 0 HA ARG A 34 40.379 35.878 55.124 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.846 37.092 53.110 1.00 0.00 H new ATOM 0 HB3 ARG A 34 42.183 37.892 53.912 1.00 0.00 H new ATOM 0 HG2 ARG A 34 42.061 34.875 53.873 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.572 35.736 52.435 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.888 35.778 55.156 1.00 0.00 H new ATOM 0 HD3 ARG A 34 44.478 34.978 53.713 1.00 0.00 H new ATOM 0 HE ARG A 34 45.650 37.123 54.377 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.495 36.898 51.640 1.00 0.00 H new ATOM 0 HH12 ARG A 34 43.885 38.533 51.097 1.00 0.00 H new ATOM 0 HH21 ARG A 34 45.867 39.289 53.834 1.00 0.00 H new ATOM 0 HH22 ARG A 34 45.189 39.848 52.302 1.00 0.00 H new ATOM 555 N ARG A 35 41.895 35.691 57.143 1.00 0.00 N ATOM 556 CA ARG A 35 42.127 35.724 58.570 1.00 0.00 C ATOM 557 C ARG A 35 42.665 34.379 59.112 1.00 0.00 C ATOM 558 O ARG A 35 43.164 33.558 58.342 1.00 0.00 O ATOM 559 CB ARG A 35 40.801 36.210 59.198 1.00 0.00 C ATOM 560 CG ARG A 35 39.484 35.495 58.792 1.00 0.00 C ATOM 561 CD ARG A 35 39.417 33.963 59.061 1.00 0.00 C ATOM 562 NE ARG A 35 38.630 33.552 60.255 1.00 0.00 N ATOM 563 CZ ARG A 35 37.327 33.697 60.375 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.599 34.201 59.415 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.729 33.335 61.478 1.00 0.00 N ATOM 0 H ARG A 35 41.816 34.767 56.719 1.00 0.00 H new ATOM 0 HA ARG A 35 42.926 36.413 58.844 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.899 36.134 60.281 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.690 37.268 58.962 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.659 35.971 59.322 1.00 0.00 H new ATOM 0 HG3 ARG A 35 39.318 35.663 57.728 1.00 0.00 H new ATOM 0 HD2 ARG A 35 38.992 33.477 58.183 1.00 0.00 H new ATOM 0 HD3 ARG A 35 40.434 33.587 59.172 1.00 0.00 H new ATOM 0 HE ARG A 35 39.135 33.129 61.034 1.00 0.00 H new ATOM 0 HH11 ARG A 35 37.038 34.495 58.542 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.591 34.301 59.538 1.00 0.00 H new ATOM 0 HH21 ARG A 35 37.271 32.940 62.246 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.719 33.447 61.571 1.00 0.00 H new ATOM 579 N GLY A 36 42.615 34.190 60.489 1.00 0.00 N ATOM 580 CA GLY A 36 43.348 32.998 60.916 1.00 0.00 C ATOM 581 C GLY A 36 43.142 32.464 62.333 1.00 0.00 C ATOM 582 O GLY A 36 42.182 32.775 63.028 1.00 0.00 O ATOM 0 H GLY A 36 42.149 34.760 61.195 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.099 32.194 60.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.411 33.206 60.795 1.00 0.00 H new ATOM 586 N CYS A 37 44.094 31.527 62.677 1.00 0.00 N ATOM 587 CA CYS A 37 44.073 30.754 63.920 1.00 0.00 C ATOM 588 C CYS A 37 45.117 31.366 64.910 1.00 0.00 C ATOM 589 O CYS A 37 46.316 31.417 64.630 1.00 0.00 O ATOM 590 CB CYS A 37 44.407 29.285 63.665 1.00 0.00 C ATOM 591 SG CYS A 37 44.628 28.479 65.270 1.00 0.00 S ATOM 0 H CYS A 37 44.890 31.306 62.079 1.00 0.00 H new ATOM 0 HA CYS A 37 43.071 30.801 64.346 1.00 0.00 H new ATOM 0 HB2 CYS A 37 43.607 28.804 63.103 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.314 29.198 63.066 1.00 0.00 H new ATOM 596 N GLY A 38 44.638 31.908 66.105 1.00 0.00 N ATOM 597 CA GLY A 38 45.651 32.432 67.012 1.00 0.00 C ATOM 598 C GLY A 38 44.938 32.725 68.330 1.00 0.00 C ATOM 599 O GLY A 38 44.967 31.952 69.283 1.00 0.00 O ATOM 0 H GLY A 38 43.665 31.974 66.403 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.454 31.709 67.157 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.105 33.336 66.607 1.00 0.00 H new ATOM 603 N CYS A 39 44.278 33.941 68.336 1.00 0.00 N ATOM 604 CA CYS A 39 43.541 34.462 69.482 1.00 0.00 C ATOM 605 C CYS A 39 44.546 35.139 70.465 1.00 0.00 C ATOM 606 O CYS A 39 44.417 36.301 70.849 1.00 0.00 O ATOM 607 CB CYS A 39 42.410 35.370 68.997 1.00 0.00 C ATOM 608 SG CYS A 39 41.476 36.167 70.333 1.00 0.00 S ATOM 0 H CYS A 39 44.262 34.564 67.529 1.00 0.00 H new ATOM 0 HA CYS A 39 43.054 33.665 70.044 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.829 36.141 68.351 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.723 34.783 68.388 1.00 0.00 H new ATOM 613 N PHE A 40 45.593 34.324 70.844 1.00 0.00 N ATOM 614 CA PHE A 40 46.534 34.622 71.925 1.00 0.00 C ATOM 615 C PHE A 40 47.724 35.412 71.268 1.00 0.00 C ATOM 616 O PHE A 40 48.874 34.986 71.282 1.00 0.00 O ATOM 617 CB PHE A 40 46.830 33.274 72.634 1.00 0.00 C ATOM 618 CG PHE A 40 45.554 32.435 72.846 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.367 32.999 73.341 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.495 31.102 72.414 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.170 32.283 73.373 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.310 30.366 72.462 1.00 0.00 C ATOM 623 CZ PHE A 40 43.140 30.950 72.955 1.00 0.00 C ATOM 0 H PHE A 40 45.786 33.435 70.383 1.00 0.00 H new ATOM 0 HA PHE A 40 46.185 35.274 72.726 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.544 32.703 72.041 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.300 33.468 73.598 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.381 34.015 73.707 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.390 30.632 72.034 1.00 0.00 H new ATOM 0 HE1 PHE A 40 42.266 32.760 73.721 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.297 29.343 72.117 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.225 30.379 73.012 1.00 0.00 H new ATOM 633 N THR A 41 47.368 36.640 70.718 1.00 0.00 N ATOM 634 CA THR A 41 48.277 37.588 70.023 1.00 0.00 C ATOM 635 C THR A 41 48.683 38.742 71.018 1.00 0.00 C ATOM 636 O THR A 41 47.834 39.226 71.771 1.00 0.00 O ATOM 637 CB THR A 41 47.670 38.288 68.766 1.00 0.00 C ATOM 638 OG1 THR A 41 48.700 39.027 68.106 1.00 0.00 O ATOM 639 CG2 THR A 41 46.922 37.378 67.779 1.00 0.00 C ATOM 0 H THR A 41 46.409 36.986 70.759 1.00 0.00 H new ATOM 0 HA THR A 41 49.116 36.976 69.691 1.00 0.00 H new ATOM 0 HB THR A 41 46.887 38.946 69.142 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.329 39.469 67.314 1.00 0.00 H new ATOM 0 HG21 THR A 41 46.545 37.974 66.948 1.00 0.00 H new ATOM 0 HG22 THR A 41 47.602 36.616 67.400 1.00 0.00 H new ATOM 0 HG23 THR A 41 46.087 36.898 68.288 1.00 0.00 H new ATOM 647 N PRO A 42 49.993 39.227 70.997 1.00 0.00 N ATOM 648 CA PRO A 42 50.359 40.413 71.797 1.00 0.00 C ATOM 649 C PRO A 42 49.369 41.573 71.452 1.00 0.00 C ATOM 650 O PRO A 42 49.064 41.888 70.301 1.00 0.00 O ATOM 651 CB PRO A 42 51.807 40.794 71.402 1.00 0.00 C ATOM 652 CG PRO A 42 52.016 40.042 70.076 1.00 0.00 C ATOM 653 CD PRO A 42 51.170 38.777 70.258 1.00 0.00 C ATOM 0 HA PRO A 42 50.302 40.219 72.868 1.00 0.00 H new ATOM 0 HB2 PRO A 42 51.921 41.871 71.277 1.00 0.00 H new ATOM 0 HB3 PRO A 42 52.527 40.483 72.159 1.00 0.00 H new ATOM 0 HG2 PRO A 42 51.682 40.631 69.222 1.00 0.00 H new ATOM 0 HG3 PRO A 42 53.066 39.804 69.909 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.893 38.343 69.297 1.00 0.00 H new ATOM 0 HD3 PRO A 42 51.715 38.011 70.809 1.00 0.00 H new ATOM 661 N ARG A 43 48.876 42.255 72.549 1.00 0.00 N ATOM 662 CA ARG A 43 47.931 43.352 72.397 1.00 0.00 C ATOM 663 C ARG A 43 48.100 44.349 73.596 1.00 0.00 C ATOM 664 O ARG A 43 48.465 43.972 74.708 1.00 0.00 O ATOM 665 CB ARG A 43 46.464 42.870 72.250 1.00 0.00 C ATOM 666 CG ARG A 43 45.924 41.952 73.370 1.00 0.00 C ATOM 667 CD ARG A 43 44.385 41.841 73.429 1.00 0.00 C ATOM 668 NE ARG A 43 43.567 41.407 72.268 1.00 0.00 N ATOM 669 CZ ARG A 43 43.705 40.353 71.475 1.00 0.00 C ATOM 670 NH1 ARG A 43 44.800 39.648 71.427 1.00 0.00 N ATOM 671 NH2 ARG A 43 42.699 40.014 70.705 1.00 0.00 N ATOM 0 H ARG A 43 49.131 42.046 73.514 1.00 0.00 H new ATOM 0 HA ARG A 43 48.159 43.868 71.464 1.00 0.00 H new ATOM 0 HB2 ARG A 43 45.821 43.748 72.189 1.00 0.00 H new ATOM 0 HB3 ARG A 43 46.372 42.341 71.301 1.00 0.00 H new ATOM 0 HG2 ARG A 43 46.342 40.954 73.236 1.00 0.00 H new ATOM 0 HG3 ARG A 43 46.285 42.322 74.330 1.00 0.00 H new ATOM 0 HD2 ARG A 43 44.154 41.157 74.245 1.00 0.00 H new ATOM 0 HD3 ARG A 43 44.013 42.823 73.721 1.00 0.00 H new ATOM 0 HE ARG A 43 42.777 42.013 72.046 1.00 0.00 H new ATOM 0 HH11 ARG A 43 45.595 39.900 72.015 1.00 0.00 H new ATOM 0 HH12 ARG A 43 44.862 38.844 70.802 1.00 0.00 H new ATOM 0 HH21 ARG A 43 41.836 40.557 70.725 1.00 0.00 H new ATOM 0 HH22 ARG A 43 42.780 39.207 70.086 1.00 0.00 H new ATOM 685 N GLY A 44 47.826 45.682 73.320 1.00 0.00 N ATOM 686 CA GLY A 44 48.093 46.735 74.315 1.00 0.00 C ATOM 687 C GLY A 44 48.322 48.020 73.467 1.00 0.00 C ATOM 688 O GLY A 44 47.360 48.661 73.051 1.00 0.00 O ATOM 0 H GLY A 44 47.434 46.017 72.440 1.00 0.00 H new ATOM 0 HA2 GLY A 44 47.254 46.856 75.001 1.00 0.00 H new ATOM 0 HA3 GLY A 44 48.968 46.497 74.920 1.00 0.00 H new ATOM 692 N ASP A 45 49.634 48.351 73.146 1.00 0.00 N ATOM 693 CA ASP A 45 49.958 49.424 72.173 1.00 0.00 C ATOM 694 C ASP A 45 50.099 48.790 70.737 1.00 0.00 C ATOM 695 O ASP A 45 50.764 49.321 69.848 1.00 0.00 O ATOM 696 CB ASP A 45 51.231 50.233 72.522 1.00 0.00 C ATOM 697 CG ASP A 45 51.128 51.017 73.852 1.00 0.00 C ATOM 698 OD1 ASP A 45 50.263 51.899 73.855 1.00 0.00 O ATOM 699 OD2 ASP A 45 51.905 50.673 74.745 1.00 0.00 O ATOM 0 H ASP A 45 50.450 47.890 73.548 1.00 0.00 H new ATOM 0 HA ASP A 45 49.136 50.139 72.209 1.00 0.00 H new ATOM 0 HB2 ASP A 45 52.080 49.551 72.578 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.438 50.934 71.713 1.00 0.00 H new ATOM 704 N MET A 46 49.381 47.634 70.517 1.00 0.00 N ATOM 705 CA MET A 46 49.375 46.875 69.266 1.00 0.00 C ATOM 706 C MET A 46 47.873 46.471 69.075 1.00 0.00 C ATOM 707 O MET A 46 47.411 45.464 69.610 1.00 0.00 O ATOM 708 CB MET A 46 50.313 45.643 69.224 1.00 0.00 C ATOM 709 CG MET A 46 51.801 46.050 69.125 1.00 0.00 C ATOM 710 SD MET A 46 52.950 44.644 69.006 1.00 0.00 S ATOM 711 CE MET A 46 54.425 45.475 69.634 1.00 0.00 C ATOM 0 H MET A 46 48.787 47.218 71.235 1.00 0.00 H new ATOM 0 HA MET A 46 49.775 47.487 68.457 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.161 45.041 70.120 1.00 0.00 H new ATOM 0 HB3 MET A 46 50.051 45.017 68.371 1.00 0.00 H new ATOM 0 HG2 MET A 46 51.934 46.689 68.252 1.00 0.00 H new ATOM 0 HG3 MET A 46 52.062 46.646 69.999 1.00 0.00 H new ATOM 0 HE1 MET A 46 55.261 44.775 69.643 1.00 0.00 H new ATOM 0 HE2 MET A 46 54.667 46.321 68.991 1.00 0.00 H new ATOM 0 HE3 MET A 46 54.239 45.831 70.647 1.00 0.00 H new ATOM 721 N PRO A 47 47.098 47.269 68.235 1.00 0.00 N ATOM 722 CA PRO A 47 45.677 46.952 67.987 1.00 0.00 C ATOM 723 C PRO A 47 45.582 45.619 67.149 1.00 0.00 C ATOM 724 O PRO A 47 46.063 45.528 66.021 1.00 0.00 O ATOM 725 CB PRO A 47 45.135 48.183 67.236 1.00 0.00 C ATOM 726 CG PRO A 47 45.966 49.319 67.852 1.00 0.00 C ATOM 727 CD PRO A 47 47.354 48.677 67.907 1.00 0.00 C ATOM 0 HA PRO A 47 45.093 46.773 68.890 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.286 48.104 66.159 1.00 0.00 H new ATOM 0 HB3 PRO A 47 44.066 48.323 67.399 1.00 0.00 H new ATOM 0 HG2 PRO A 47 45.953 50.219 67.237 1.00 0.00 H new ATOM 0 HG3 PRO A 47 45.605 49.604 68.840 1.00 0.00 H new ATOM 0 HD2 PRO A 47 47.874 48.774 66.954 1.00 0.00 H new ATOM 0 HD3 PRO A 47 47.981 49.152 68.661 1.00 0.00 H new ATOM 735 N GLY A 48 44.936 44.533 67.736 1.00 0.00 N ATOM 736 CA GLY A 48 44.769 43.224 67.068 1.00 0.00 C ATOM 737 C GLY A 48 43.335 42.951 66.521 1.00 0.00 C ATOM 738 O GLY A 48 42.402 43.696 66.808 1.00 0.00 O ATOM 0 H GLY A 48 44.532 44.567 68.672 1.00 0.00 H new ATOM 0 HA2 GLY A 48 45.477 43.160 66.242 1.00 0.00 H new ATOM 0 HA3 GLY A 48 45.031 42.435 67.773 1.00 0.00 H new ATOM 742 N PRO A 49 43.170 41.763 65.815 1.00 0.00 N ATOM 743 CA PRO A 49 41.852 41.300 65.336 1.00 0.00 C ATOM 744 C PRO A 49 40.802 41.013 66.449 1.00 0.00 C ATOM 745 O PRO A 49 41.123 40.925 67.634 1.00 0.00 O ATOM 746 CB PRO A 49 42.170 39.957 64.665 1.00 0.00 C ATOM 747 CG PRO A 49 43.490 40.304 63.986 1.00 0.00 C ATOM 748 CD PRO A 49 44.231 41.062 65.086 1.00 0.00 C ATOM 0 HA PRO A 49 41.410 42.075 64.710 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.273 39.146 65.386 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.402 39.655 63.953 1.00 0.00 H new ATOM 0 HG2 PRO A 49 44.032 39.412 63.670 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.342 40.918 63.098 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.780 40.382 65.738 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.957 41.760 64.669 1.00 0.00 H new ATOM 756 N TYR A 50 39.517 40.796 65.982 1.00 0.00 N ATOM 757 CA TYR A 50 38.393 40.507 66.905 1.00 0.00 C ATOM 758 C TYR A 50 38.057 38.967 66.851 1.00 0.00 C ATOM 759 O TYR A 50 38.015 38.356 65.783 1.00 0.00 O ATOM 760 CB TYR A 50 37.113 41.413 66.742 1.00 0.00 C ATOM 761 CG TYR A 50 35.979 40.786 65.958 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.880 40.886 64.572 1.00 0.00 C ATOM 763 CD2 TYR A 50 34.957 40.110 66.625 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.805 40.347 63.876 1.00 0.00 C ATOM 765 CE2 TYR A 50 33.881 39.556 65.952 1.00 0.00 C ATOM 766 CZ TYR A 50 33.779 39.684 64.562 1.00 0.00 C ATOM 767 OH TYR A 50 32.712 39.150 63.870 1.00 0.00 O ATOM 0 H TYR A 50 39.258 40.819 64.996 1.00 0.00 H new ATOM 0 HA TYR A 50 38.743 40.778 67.901 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.746 41.678 67.733 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.404 42.342 66.251 1.00 0.00 H new ATOM 0 HD1 TYR A 50 36.659 41.396 64.024 1.00 0.00 H new ATOM 0 HD2 TYR A 50 35.007 40.016 67.700 1.00 0.00 H new ATOM 0 HE1 TYR A 50 34.760 40.440 62.801 1.00 0.00 H new ATOM 0 HE2 TYR A 50 33.118 39.024 66.501 1.00 0.00 H new ATOM 0 HH TYR A 50 32.825 39.322 62.912 1.00 0.00 H new ATOM 777 N CYS A 51 37.808 38.328 68.066 1.00 0.00 N ATOM 778 CA CYS A 51 37.813 36.852 68.144 1.00 0.00 C ATOM 779 C CYS A 51 36.496 36.140 68.594 1.00 0.00 C ATOM 780 O CYS A 51 35.666 36.671 69.325 1.00 0.00 O ATOM 781 CB CYS A 51 38.881 36.431 69.174 1.00 0.00 C ATOM 782 SG CYS A 51 40.442 37.337 68.992 1.00 0.00 S ATOM 0 H CYS A 51 37.614 38.807 68.945 1.00 0.00 H new ATOM 0 HA CYS A 51 37.988 36.544 67.113 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.490 36.590 70.179 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.074 35.363 69.073 1.00 0.00 H new ATOM 787 N CYS A 52 36.417 34.825 68.171 1.00 0.00 N ATOM 788 CA CYS A 52 35.408 33.855 68.594 1.00 0.00 C ATOM 789 C CYS A 52 36.150 32.560 69.092 1.00 0.00 C ATOM 790 O CYS A 52 37.239 32.224 68.628 1.00 0.00 O ATOM 791 CB CYS A 52 34.438 33.508 67.477 1.00 0.00 C ATOM 792 SG CYS A 52 32.772 33.049 68.068 1.00 0.00 S ATOM 0 H CYS A 52 37.085 34.430 67.509 1.00 0.00 H new ATOM 0 HA CYS A 52 34.815 34.295 69.396 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.353 34.361 66.804 1.00 0.00 H new ATOM 0 HB3 CYS A 52 34.848 32.682 66.895 1.00 0.00 H new ATOM 797 N GLU A 53 35.528 31.795 70.056 1.00 0.00 N ATOM 798 CA GLU A 53 36.186 30.601 70.643 1.00 0.00 C ATOM 799 C GLU A 53 35.363 29.308 70.372 1.00 0.00 C ATOM 800 O GLU A 53 35.381 28.352 71.146 1.00 0.00 O ATOM 801 CB GLU A 53 36.556 30.826 72.122 1.00 0.00 C ATOM 802 CG GLU A 53 35.382 30.891 73.126 1.00 0.00 C ATOM 803 CD GLU A 53 34.305 31.865 72.676 1.00 0.00 C ATOM 804 OE1 GLU A 53 33.266 31.568 72.115 1.00 0.00 O ATOM 805 OE2 GLU A 53 34.637 33.127 72.947 1.00 0.00 O ATOM 0 H GLU A 53 34.597 31.989 70.425 1.00 0.00 H new ATOM 0 HA GLU A 53 37.138 30.445 70.136 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.225 30.024 72.432 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.119 31.757 72.195 1.00 0.00 H new ATOM 0 HG2 GLU A 53 34.948 29.898 73.242 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.757 31.191 74.104 1.00 0.00 H new ATOM 813 N SER A 54 34.703 29.269 69.161 1.00 0.00 N ATOM 814 CA SER A 54 33.916 28.127 68.716 1.00 0.00 C ATOM 815 C SER A 54 34.190 27.836 67.202 1.00 0.00 C ATOM 816 O SER A 54 35.055 28.450 66.579 1.00 0.00 O ATOM 817 CB SER A 54 32.409 28.240 69.079 1.00 0.00 C ATOM 818 OG SER A 54 31.773 26.966 69.002 1.00 0.00 O ATOM 0 H SER A 54 34.721 30.039 68.492 1.00 0.00 H new ATOM 0 HA SER A 54 34.248 27.252 69.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.302 28.645 70.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.918 28.938 68.401 1.00 0.00 H new ATOM 0 HG SER A 54 30.826 27.059 69.236 1.00 0.00 H new ATOM 824 N ASP A 55 33.463 26.795 66.657 1.00 0.00 N ATOM 825 CA ASP A 55 33.778 26.264 65.328 1.00 0.00 C ATOM 826 C ASP A 55 33.144 27.248 64.285 1.00 0.00 C ATOM 827 O ASP A 55 31.940 27.244 64.037 1.00 0.00 O ATOM 828 CB ASP A 55 33.296 24.798 65.154 1.00 0.00 C ATOM 829 CG ASP A 55 34.360 23.941 64.419 1.00 0.00 C ATOM 830 OD1 ASP A 55 35.510 24.049 64.858 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.941 23.251 63.488 1.00 0.00 O ATOM 0 H ASP A 55 32.681 26.336 67.124 1.00 0.00 H new ATOM 0 HA ASP A 55 34.856 26.211 65.178 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.087 24.363 66.131 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.362 24.784 64.592 1.00 0.00 H new ATOM 836 N LYS A 56 34.020 28.132 63.658 1.00 0.00 N ATOM 837 CA LYS A 56 33.669 29.138 62.667 1.00 0.00 C ATOM 838 C LYS A 56 32.927 30.342 63.331 1.00 0.00 C ATOM 839 O LYS A 56 33.348 31.483 63.143 1.00 0.00 O ATOM 840 CB LYS A 56 32.942 28.635 61.401 1.00 0.00 C ATOM 841 CG LYS A 56 33.794 27.644 60.570 1.00 0.00 C ATOM 842 CD LYS A 56 33.880 26.177 61.040 1.00 0.00 C ATOM 843 CE LYS A 56 32.538 25.443 61.032 1.00 0.00 C ATOM 844 NZ LYS A 56 32.753 23.981 61.452 1.00 0.00 N ATOM 0 H LYS A 56 35.019 28.129 63.866 1.00 0.00 H new ATOM 0 HA LYS A 56 34.630 29.474 62.277 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.010 28.150 61.692 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.676 29.489 60.778 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.405 27.644 59.552 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.809 28.038 60.523 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.580 25.641 60.399 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.290 26.153 62.050 1.00 0.00 H new ATOM 0 HE2 LYS A 56 31.841 25.930 61.714 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.094 25.486 60.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.854 23.581 61.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 33.092 23.432 60.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 33.459 23.939 62.215 1.00 0.00 H new ATOM 858 N CYS A 57 31.799 30.057 64.075 1.00 0.00 N ATOM 859 CA CYS A 57 30.871 30.980 64.736 1.00 0.00 C ATOM 860 C CYS A 57 29.917 31.563 63.655 1.00 0.00 C ATOM 861 O CYS A 57 28.702 31.527 63.852 1.00 0.00 O ATOM 862 CB CYS A 57 31.454 32.080 65.647 1.00 0.00 C ATOM 863 SG CYS A 57 32.360 31.326 67.030 1.00 0.00 S ATOM 0 H CYS A 57 31.516 29.089 64.224 1.00 0.00 H new ATOM 0 HA CYS A 57 30.344 30.372 65.472 1.00 0.00 H new ATOM 0 HB2 CYS A 57 32.120 32.724 65.073 1.00 0.00 H new ATOM 0 HB3 CYS A 57 30.651 32.711 66.028 1.00 0.00 H new ATOM 868 N ASN A 58 30.465 32.102 62.501 1.00 0.00 N ATOM 869 CA ASN A 58 29.599 32.588 61.437 1.00 0.00 C ATOM 870 C ASN A 58 30.545 32.715 60.197 1.00 0.00 C ATOM 871 O ASN A 58 30.631 31.831 59.346 1.00 0.00 O ATOM 872 CB ASN A 58 28.773 33.898 61.728 1.00 0.00 C ATOM 873 CG ASN A 58 29.357 34.749 62.860 1.00 0.00 C ATOM 874 OD1 ASN A 58 30.377 35.410 62.751 1.00 0.00 O ATOM 875 ND2 ASN A 58 28.636 34.727 64.004 1.00 0.00 N ATOM 0 H ASN A 58 31.465 32.193 62.321 1.00 0.00 H new ATOM 0 HA ASN A 58 28.779 31.886 61.287 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.727 34.498 60.819 1.00 0.00 H new ATOM 0 HB3 ASN A 58 27.749 33.624 61.981 1.00 0.00 H new ATOM 0 HD21 ASN A 58 28.940 35.274 64.809 1.00 0.00 H new ATOM 0 HD22 ASN A 58 27.788 34.163 64.061 1.00 0.00 H new ATOM 882 N LEU A 59 31.283 33.873 60.156 1.00 0.00 N ATOM 883 CA LEU A 59 32.277 34.224 59.152 1.00 0.00 C ATOM 884 C LEU A 59 33.333 34.924 60.087 1.00 0.00 C ATOM 885 O LEU A 59 33.180 36.133 60.303 1.00 0.00 O ATOM 886 CB LEU A 59 31.689 35.064 58.005 1.00 0.00 C ATOM 887 CG LEU A 59 32.511 35.199 56.698 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.806 33.843 56.035 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.737 36.076 55.696 1.00 0.00 C ATOM 890 OXT LEU A 59 34.193 34.175 60.569 1.00 0.00 O ATOM 0 H LEU A 59 31.176 34.600 60.864 1.00 0.00 H new ATOM 0 HA LEU A 59 32.705 33.410 58.568 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.719 34.640 57.746 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.506 36.068 58.388 1.00 0.00 H new ATOM 0 HG LEU A 59 33.465 35.652 56.968 1.00 0.00 H new ATOM 0 HD11 LEU A 59 33.384 34.001 55.125 1.00 0.00 H new ATOM 0 HD12 LEU A 59 33.376 33.218 56.723 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.867 33.347 55.787 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.313 36.172 54.776 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.775 35.613 55.475 1.00 0.00 H new ATOM 0 HD23 LEU A 59 31.574 37.064 56.127 1.00 0.00 H new TER 902 LEU A 59