USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 ASN : amide:sc= 0 K(o=1.3,f=-0.072) USER MOD Set 1.2: A 6 HIS : no HD1:sc= -0.0157 K(o=1.3,f=-1.9) USER MOD Set 1.3: A 13 THR OG1 : rot -49:sc= 1.33 USER MOD Single : A 1 ARG N :NH3+ -151:sc= 0.429! (180deg=-3.14!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 13:sc= 0.78 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 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 7:sc= 0.0554 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 138:sc= 2.35 (180deg=-2.65!) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.68! C(o=-4.2!,f=-2.7!) USER MOD Single : A 28 THR OG1 : rot -87:sc= 1.54 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 37:sc= 0.394 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 26:sc= 0.209 USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= -1.3! (180deg=-6.81!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.544 24.573 67.294 1.00 0.00 N ATOM 2 CA ARG A 1 40.288 24.067 66.579 1.00 0.00 C ATOM 3 C ARG A 1 40.352 24.518 65.084 1.00 0.00 C ATOM 4 O ARG A 1 41.283 25.213 64.689 1.00 0.00 O ATOM 5 CB ARG A 1 39.019 24.615 67.261 1.00 0.00 C ATOM 6 CG ARG A 1 38.590 23.818 68.510 1.00 0.00 C ATOM 7 CD ARG A 1 37.125 24.066 68.971 1.00 0.00 C ATOM 8 NE ARG A 1 36.748 25.111 69.953 1.00 0.00 N ATOM 9 CZ ARG A 1 37.432 26.104 70.503 1.00 0.00 C ATOM 10 NH1 ARG A 1 38.592 26.481 70.071 1.00 0.00 N ATOM 11 NH2 ARG A 1 36.914 26.752 71.515 1.00 0.00 N ATOM 0 H1 ARG A 1 41.782 23.929 68.075 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.336 24.609 66.621 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.368 25.526 67.672 1.00 0.00 H new ATOM 0 HA ARG A 1 40.246 22.979 66.632 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.190 25.653 67.545 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.201 24.612 66.541 1.00 0.00 H new ATOM 0 HG2 ARG A 1 38.717 22.755 68.306 1.00 0.00 H new ATOM 0 HG3 ARG A 1 39.262 24.068 69.331 1.00 0.00 H new ATOM 0 HD2 ARG A 1 36.548 24.269 68.069 1.00 0.00 H new ATOM 0 HD3 ARG A 1 36.764 23.120 69.374 1.00 0.00 H new ATOM 0 HE ARG A 1 35.778 25.055 70.264 1.00 0.00 H new ATOM 0 HH11 ARG A 1 39.018 26.008 69.274 1.00 0.00 H new ATOM 0 HH12 ARG A 1 39.081 27.251 70.528 1.00 0.00 H new ATOM 0 HH21 ARG A 1 35.995 26.491 71.871 1.00 0.00 H new ATOM 0 HH22 ARG A 1 37.430 27.518 71.948 1.00 0.00 H new ATOM 27 N ILE A 2 39.341 24.059 64.244 1.00 0.00 N ATOM 28 CA ILE A 2 39.350 24.359 62.799 1.00 0.00 C ATOM 29 C ILE A 2 38.718 25.775 62.597 1.00 0.00 C ATOM 30 O ILE A 2 37.537 26.009 62.855 1.00 0.00 O ATOM 31 CB ILE A 2 38.563 23.403 61.855 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.962 21.910 61.937 1.00 0.00 C ATOM 33 CG2 ILE A 2 38.703 23.864 60.378 1.00 0.00 C ATOM 34 CD1 ILE A 2 38.459 21.123 63.158 1.00 0.00 C ATOM 0 H ILE A 2 38.547 23.500 64.556 1.00 0.00 H new ATOM 0 HA ILE A 2 40.399 24.258 62.520 1.00 0.00 H new ATOM 0 HB ILE A 2 37.533 23.468 62.207 1.00 0.00 H new ATOM 0 HG12 ILE A 2 38.598 21.412 61.038 1.00 0.00 H new ATOM 0 HG13 ILE A 2 40.050 21.848 61.918 1.00 0.00 H new ATOM 0 HG21 ILE A 2 38.147 23.185 59.731 1.00 0.00 H new ATOM 0 HG22 ILE A 2 38.305 24.873 60.273 1.00 0.00 H new ATOM 0 HG23 ILE A 2 39.755 23.857 60.093 1.00 0.00 H new ATOM 0 HD11 ILE A 2 38.807 20.092 63.095 1.00 0.00 H new ATOM 0 HD12 ILE A 2 38.844 21.581 64.069 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.369 21.138 63.177 1.00 0.00 H new ATOM 46 N CYS A 3 39.535 26.744 62.042 1.00 0.00 N ATOM 47 CA CYS A 3 38.986 28.006 61.586 1.00 0.00 C ATOM 48 C CYS A 3 39.735 28.453 60.295 1.00 0.00 C ATOM 49 O CYS A 3 40.904 28.149 60.064 1.00 0.00 O ATOM 50 CB CYS A 3 38.888 29.073 62.692 1.00 0.00 C ATOM 51 SG CYS A 3 40.333 29.228 63.774 1.00 0.00 S ATOM 0 H CYS A 3 40.543 26.646 61.918 1.00 0.00 H new ATOM 0 HA CYS A 3 37.939 27.862 61.318 1.00 0.00 H new ATOM 0 HB2 CYS A 3 38.705 30.039 62.222 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.018 28.849 63.310 1.00 0.00 H new ATOM 56 N TYR A 4 38.963 29.172 59.391 1.00 0.00 N ATOM 57 CA TYR A 4 39.405 29.268 57.996 1.00 0.00 C ATOM 58 C TYR A 4 40.380 30.438 57.673 1.00 0.00 C ATOM 59 O TYR A 4 40.711 31.242 58.537 1.00 0.00 O ATOM 60 CB TYR A 4 38.143 29.409 57.115 1.00 0.00 C ATOM 61 CG TYR A 4 37.037 28.380 57.363 1.00 0.00 C ATOM 62 CD1 TYR A 4 37.229 27.119 57.930 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.732 28.711 56.994 1.00 0.00 C ATOM 64 CE1 TYR A 4 36.183 26.228 58.111 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.669 27.840 57.165 1.00 0.00 C ATOM 66 CZ TYR A 4 34.879 26.571 57.708 1.00 0.00 C ATOM 67 OH TYR A 4 33.875 25.661 57.856 1.00 0.00 O ATOM 0 H TYR A 4 38.092 29.654 59.612 1.00 0.00 H new ATOM 0 HA TYR A 4 39.978 28.363 57.794 1.00 0.00 H new ATOM 0 HB2 TYR A 4 37.727 30.405 57.267 1.00 0.00 H new ATOM 0 HB3 TYR A 4 38.444 29.345 56.069 1.00 0.00 H new ATOM 0 HD1 TYR A 4 38.223 26.829 58.237 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.545 29.682 56.559 1.00 0.00 H new ATOM 0 HE1 TYR A 4 36.370 25.265 58.564 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.673 28.144 56.877 1.00 0.00 H new ATOM 0 HH TYR A 4 33.034 26.047 57.533 1.00 0.00 H new ATOM 77 N ASN A 5 40.841 30.501 56.366 1.00 0.00 N ATOM 78 CA ASN A 5 41.636 31.646 55.908 1.00 0.00 C ATOM 79 C ASN A 5 41.337 31.857 54.389 1.00 0.00 C ATOM 80 O ASN A 5 42.231 32.124 53.592 1.00 0.00 O ATOM 81 CB ASN A 5 43.140 31.563 56.265 1.00 0.00 C ATOM 82 CG ASN A 5 43.908 30.438 55.581 1.00 0.00 C ATOM 83 OD1 ASN A 5 43.411 29.408 55.164 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.238 30.670 55.490 1.00 0.00 N ATOM 0 H ASN A 5 40.669 29.787 55.658 1.00 0.00 H new ATOM 0 HA ASN A 5 41.332 32.538 56.456 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.611 32.512 56.008 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.235 31.442 57.344 1.00 0.00 H new ATOM 0 HD21 ASN A 5 45.849 29.973 55.064 1.00 0.00 H new ATOM 0 HD22 ASN A 5 45.629 31.542 55.847 1.00 0.00 H new ATOM 91 N HIS A 6 39.994 31.793 54.040 1.00 0.00 N ATOM 92 CA HIS A 6 39.413 31.867 52.704 1.00 0.00 C ATOM 93 C HIS A 6 39.252 33.335 52.139 1.00 0.00 C ATOM 94 O HIS A 6 39.834 34.283 52.659 1.00 0.00 O ATOM 95 CB HIS A 6 39.943 30.782 51.684 1.00 0.00 C ATOM 96 CG HIS A 6 41.205 31.125 50.962 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.155 30.159 50.583 1.00 0.00 N ATOM 98 CD2 HIS A 6 41.732 32.290 50.488 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.203 30.700 49.970 1.00 0.00 C ATOM 100 NE2 HIS A 6 42.942 32.009 49.876 1.00 0.00 N ATOM 0 H HIS A 6 39.274 31.681 54.754 1.00 0.00 H new ATOM 0 HA HIS A 6 38.379 31.554 52.846 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.099 29.849 52.225 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.164 30.595 50.945 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.281 33.268 50.575 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.086 30.187 49.619 1.00 0.00 H new ATOM 0 HE2 HIS A 6 43.544 32.696 49.422 1.00 0.00 H new ATOM 109 N LEU A 7 38.383 33.490 51.068 1.00 0.00 N ATOM 110 CA LEU A 7 38.012 34.771 50.468 1.00 0.00 C ATOM 111 C LEU A 7 39.190 35.454 49.684 1.00 0.00 C ATOM 112 O LEU A 7 40.193 34.830 49.346 1.00 0.00 O ATOM 113 CB LEU A 7 37.189 35.714 51.379 1.00 0.00 C ATOM 114 CG LEU A 7 35.875 35.164 51.993 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.059 34.185 53.163 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.007 36.339 52.481 1.00 0.00 C ATOM 0 H LEU A 7 37.932 32.696 50.615 1.00 0.00 H new ATOM 0 HA LEU A 7 37.285 34.512 49.698 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.833 36.034 52.198 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.941 36.605 50.802 1.00 0.00 H new ATOM 0 HG LEU A 7 35.401 34.599 51.190 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.083 33.859 53.521 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.630 33.320 52.827 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.595 34.681 53.972 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.083 35.954 52.913 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.552 36.905 53.236 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.770 36.991 51.640 1.00 0.00 H new ATOM 128 N GLY A 8 38.964 36.751 49.252 1.00 0.00 N ATOM 129 CA GLY A 8 39.902 37.415 48.339 1.00 0.00 C ATOM 130 C GLY A 8 39.537 37.111 46.875 1.00 0.00 C ATOM 131 O GLY A 8 39.447 38.011 46.046 1.00 0.00 O ATOM 0 H GLY A 8 38.161 37.317 49.526 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.883 38.492 48.509 1.00 0.00 H new ATOM 0 HA3 GLY A 8 40.918 37.078 48.544 1.00 0.00 H new ATOM 135 N THR A 9 39.417 35.770 46.565 1.00 0.00 N ATOM 136 CA THR A 9 39.250 35.262 45.211 1.00 0.00 C ATOM 137 C THR A 9 38.896 33.756 45.347 1.00 0.00 C ATOM 138 O THR A 9 37.940 33.276 44.742 1.00 0.00 O ATOM 139 CB THR A 9 40.521 35.391 44.311 1.00 0.00 C ATOM 140 OG1 THR A 9 40.815 36.753 43.979 1.00 0.00 O ATOM 141 CG2 THR A 9 40.461 34.675 42.957 1.00 0.00 C ATOM 0 H THR A 9 39.438 35.036 47.272 1.00 0.00 H new ATOM 0 HA THR A 9 38.477 35.856 44.723 1.00 0.00 H new ATOM 0 HB THR A 9 41.277 34.922 44.941 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.289 37.350 44.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.396 34.833 42.420 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.311 33.607 43.116 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.634 35.074 42.371 1.00 0.00 H new ATOM 149 N LYS A 10 39.713 33.010 46.178 1.00 0.00 N ATOM 150 CA LYS A 10 39.556 31.554 46.369 1.00 0.00 C ATOM 151 C LYS A 10 38.793 31.261 47.720 1.00 0.00 C ATOM 152 O LYS A 10 39.235 31.741 48.756 1.00 0.00 O ATOM 153 CB LYS A 10 40.928 30.840 46.429 1.00 0.00 C ATOM 154 CG LYS A 10 41.722 30.909 45.106 1.00 0.00 C ATOM 155 CD LYS A 10 42.886 29.902 44.989 1.00 0.00 C ATOM 156 CE LYS A 10 43.429 29.910 43.553 1.00 0.00 C ATOM 157 NZ LYS A 10 44.590 28.937 43.326 1.00 0.00 N ATOM 0 H LYS A 10 40.480 33.414 46.716 1.00 0.00 H new ATOM 0 HA LYS A 10 38.989 31.177 45.518 1.00 0.00 H new ATOM 0 HB2 LYS A 10 41.525 31.286 47.225 1.00 0.00 H new ATOM 0 HB3 LYS A 10 40.772 29.794 46.695 1.00 0.00 H new ATOM 0 HG2 LYS A 10 41.033 30.743 44.278 1.00 0.00 H new ATOM 0 HG3 LYS A 10 42.121 31.917 44.992 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.679 30.163 45.690 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.543 28.902 45.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 42.619 29.661 42.867 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.759 30.919 43.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 44.904 28.997 42.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.379 29.186 43.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.275 27.967 43.531 1.00 0.00 H new ATOM 171 N PRO A 11 37.690 30.379 47.741 1.00 0.00 N ATOM 172 CA PRO A 11 36.968 30.122 49.025 1.00 0.00 C ATOM 173 C PRO A 11 37.340 28.812 49.857 1.00 0.00 C ATOM 174 O PRO A 11 36.971 28.829 51.032 1.00 0.00 O ATOM 175 CB PRO A 11 35.455 30.177 48.691 1.00 0.00 C ATOM 176 CG PRO A 11 35.390 29.871 47.188 1.00 0.00 C ATOM 177 CD PRO A 11 36.693 30.489 46.664 1.00 0.00 C ATOM 0 HA PRO A 11 37.295 30.894 49.721 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.892 29.446 49.271 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.033 31.156 48.917 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.343 28.799 46.994 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.513 30.318 46.721 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.034 29.968 45.769 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.540 31.532 46.386 1.00 0.00 H new ATOM 185 N PRO A 12 38.162 27.777 49.391 1.00 0.00 N ATOM 186 CA PRO A 12 38.347 26.544 50.196 1.00 0.00 C ATOM 187 C PRO A 12 39.418 26.359 51.322 1.00 0.00 C ATOM 188 O PRO A 12 39.233 25.388 52.061 1.00 0.00 O ATOM 189 CB PRO A 12 38.778 25.494 49.147 1.00 0.00 C ATOM 190 CG PRO A 12 37.975 25.883 47.911 1.00 0.00 C ATOM 191 CD PRO A 12 38.047 27.408 47.977 1.00 0.00 C ATOM 0 HA PRO A 12 37.412 26.507 50.755 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.851 25.531 48.958 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.547 24.480 49.474 1.00 0.00 H new ATOM 0 HG2 PRO A 12 38.415 25.490 46.994 1.00 0.00 H new ATOM 0 HG3 PRO A 12 36.949 25.517 47.955 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.903 27.777 47.412 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.157 27.854 47.534 1.00 0.00 H new ATOM 199 N THR A 13 40.538 27.171 51.499 1.00 0.00 N ATOM 200 CA THR A 13 41.529 26.754 52.525 1.00 0.00 C ATOM 201 C THR A 13 41.136 27.098 53.998 1.00 0.00 C ATOM 202 O THR A 13 40.496 28.092 54.331 1.00 0.00 O ATOM 203 CB THR A 13 43.008 27.181 52.317 1.00 0.00 C ATOM 204 OG1 THR A 13 43.298 28.561 52.495 1.00 0.00 O ATOM 205 CG2 THR A 13 43.555 26.749 50.945 1.00 0.00 C ATOM 0 H THR A 13 40.745 28.030 50.989 1.00 0.00 H new ATOM 0 HA THR A 13 41.482 25.677 52.361 1.00 0.00 H new ATOM 0 HB THR A 13 43.510 26.650 53.126 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.657 29.098 51.984 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.592 27.071 50.849 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.502 25.664 50.858 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.959 27.206 50.155 1.00 0.00 H new ATOM 213 N THR A 14 41.670 26.188 54.892 1.00 0.00 N ATOM 214 CA THR A 14 41.327 26.118 56.306 1.00 0.00 C ATOM 215 C THR A 14 42.578 25.779 57.177 1.00 0.00 C ATOM 216 O THR A 14 43.567 25.247 56.671 1.00 0.00 O ATOM 217 CB THR A 14 40.226 25.063 56.496 1.00 0.00 C ATOM 218 OG1 THR A 14 40.699 23.754 56.168 1.00 0.00 O ATOM 219 CG2 THR A 14 38.976 25.383 55.648 1.00 0.00 C ATOM 0 H THR A 14 42.357 25.487 54.614 1.00 0.00 H new ATOM 0 HA THR A 14 40.963 27.091 56.635 1.00 0.00 H new ATOM 0 HB THR A 14 39.948 25.088 57.550 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.978 23.103 56.300 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.220 24.614 55.810 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.575 26.353 55.942 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.249 25.408 54.593 1.00 0.00 H new ATOM 227 N GLU A 15 42.518 26.107 58.522 1.00 0.00 N ATOM 228 CA GLU A 15 43.691 25.898 59.395 1.00 0.00 C ATOM 229 C GLU A 15 43.203 25.108 60.649 1.00 0.00 C ATOM 230 O GLU A 15 42.582 25.632 61.571 1.00 0.00 O ATOM 231 CB GLU A 15 44.463 27.179 59.783 1.00 0.00 C ATOM 232 CG GLU A 15 45.061 27.897 58.549 1.00 0.00 C ATOM 233 CD GLU A 15 46.072 28.964 58.954 1.00 0.00 C ATOM 234 OE1 GLU A 15 45.889 29.851 59.768 1.00 0.00 O ATOM 235 OE2 GLU A 15 47.215 28.823 58.282 1.00 0.00 O ATOM 0 H GLU A 15 41.699 26.498 58.987 1.00 0.00 H new ATOM 0 HA GLU A 15 44.431 25.332 58.830 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.793 27.860 60.308 1.00 0.00 H new ATOM 0 HB3 GLU A 15 45.264 26.923 60.476 1.00 0.00 H new ATOM 0 HG2 GLU A 15 45.543 27.166 57.901 1.00 0.00 H new ATOM 0 HG3 GLU A 15 44.259 28.356 57.971 1.00 0.00 H new ATOM 243 N THR A 16 43.527 23.754 60.656 1.00 0.00 N ATOM 244 CA THR A 16 43.263 22.904 61.829 1.00 0.00 C ATOM 245 C THR A 16 44.412 23.320 62.804 1.00 0.00 C ATOM 246 O THR A 16 45.572 22.939 62.647 1.00 0.00 O ATOM 247 CB THR A 16 43.272 21.370 61.589 1.00 0.00 C ATOM 248 OG1 THR A 16 42.221 21.040 60.677 1.00 0.00 O ATOM 249 CG2 THR A 16 43.074 20.584 62.894 1.00 0.00 C ATOM 0 H THR A 16 43.959 23.267 59.871 1.00 0.00 H new ATOM 0 HA THR A 16 42.247 23.064 62.191 1.00 0.00 H new ATOM 0 HB THR A 16 44.244 21.095 61.179 1.00 0.00 H new ATOM 0 HG1 THR A 16 42.218 20.073 60.517 1.00 0.00 H new ATOM 0 HG21 THR A 16 43.087 19.515 62.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.878 20.825 63.589 1.00 0.00 H new ATOM 0 HG23 THR A 16 42.116 20.854 63.339 1.00 0.00 H new ATOM 257 N CYS A 17 44.049 24.108 63.884 1.00 0.00 N ATOM 258 CA CYS A 17 45.058 24.750 64.744 1.00 0.00 C ATOM 259 C CYS A 17 44.997 24.207 66.209 1.00 0.00 C ATOM 260 O CYS A 17 43.943 23.802 66.698 1.00 0.00 O ATOM 261 CB CYS A 17 44.765 26.246 64.777 1.00 0.00 C ATOM 262 SG CYS A 17 46.163 27.309 65.209 1.00 0.00 S ATOM 0 H CYS A 17 43.083 24.295 64.154 1.00 0.00 H new ATOM 0 HA CYS A 17 46.047 24.536 64.339 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.393 26.546 63.798 1.00 0.00 H new ATOM 0 HB3 CYS A 17 43.962 26.425 65.492 1.00 0.00 H new ATOM 267 N GLN A 18 46.181 24.276 66.920 1.00 0.00 N ATOM 268 CA GLN A 18 46.327 23.894 68.331 1.00 0.00 C ATOM 269 C GLN A 18 46.451 25.164 69.250 1.00 0.00 C ATOM 270 O GLN A 18 47.001 25.096 70.348 1.00 0.00 O ATOM 271 CB GLN A 18 47.431 22.840 68.585 1.00 0.00 C ATOM 272 CG GLN A 18 47.029 21.409 68.171 1.00 0.00 C ATOM 273 CD GLN A 18 48.163 20.450 68.533 1.00 0.00 C ATOM 274 OE1 GLN A 18 49.149 20.296 67.836 1.00 0.00 O ATOM 275 NE2 GLN A 18 47.994 19.782 69.698 1.00 0.00 N ATOM 0 H GLN A 18 47.052 24.604 66.503 1.00 0.00 H new ATOM 0 HA GLN A 18 45.407 23.381 68.612 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.329 23.128 68.038 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.688 22.844 69.644 1.00 0.00 H new ATOM 0 HG2 GLN A 18 46.110 21.114 68.678 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.829 21.369 67.100 1.00 0.00 H new ATOM 0 HE21 GLN A 18 47.155 19.936 70.257 1.00 0.00 H new ATOM 0 HE22 GLN A 18 48.706 19.125 70.017 1.00 0.00 H new ATOM 284 N GLU A 19 45.874 26.337 68.800 1.00 0.00 N ATOM 285 CA GLU A 19 45.737 27.556 69.605 1.00 0.00 C ATOM 286 C GLU A 19 44.192 27.609 69.819 1.00 0.00 C ATOM 287 O GLU A 19 43.434 27.797 68.868 1.00 0.00 O ATOM 288 CB GLU A 19 46.221 28.827 68.895 1.00 0.00 C ATOM 289 CG GLU A 19 47.712 28.852 68.520 1.00 0.00 C ATOM 290 CD GLU A 19 47.996 30.159 67.793 1.00 0.00 C ATOM 291 OE1 GLU A 19 48.381 31.186 68.307 1.00 0.00 O ATOM 292 OE2 GLU A 19 47.739 30.047 66.487 1.00 0.00 O ATOM 0 H GLU A 19 45.497 26.436 67.858 1.00 0.00 H new ATOM 0 HA GLU A 19 46.340 27.523 70.512 1.00 0.00 H new ATOM 0 HB2 GLU A 19 45.634 28.960 67.986 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.012 29.682 69.537 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.331 28.772 69.414 1.00 0.00 H new ATOM 0 HG3 GLU A 19 47.959 28.002 67.884 1.00 0.00 H new ATOM 300 N ASP A 20 43.735 27.462 71.117 1.00 0.00 N ATOM 301 CA ASP A 20 42.347 27.303 71.546 1.00 0.00 C ATOM 302 C ASP A 20 41.337 28.448 71.123 1.00 0.00 C ATOM 303 O ASP A 20 40.181 28.407 71.557 1.00 0.00 O ATOM 304 CB ASP A 20 41.795 25.873 71.391 1.00 0.00 C ATOM 305 CG ASP A 20 41.617 25.351 69.941 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.088 26.130 69.141 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.973 24.190 69.716 1.00 0.00 O ATOM 0 H ASP A 20 44.380 27.455 71.907 1.00 0.00 H new ATOM 0 HA ASP A 20 42.422 27.460 72.622 1.00 0.00 H new ATOM 0 HB2 ASP A 20 42.462 25.191 71.919 1.00 0.00 H new ATOM 0 HB3 ASP A 20 40.828 25.825 71.892 1.00 0.00 H new ATOM 312 N SER A 21 41.755 29.523 70.363 1.00 0.00 N ATOM 313 CA SER A 21 40.899 30.628 69.955 1.00 0.00 C ATOM 314 C SER A 21 41.431 31.211 68.613 1.00 0.00 C ATOM 315 O SER A 21 42.612 31.111 68.262 1.00 0.00 O ATOM 316 CB SER A 21 40.865 31.778 71.004 1.00 0.00 C ATOM 317 OG SER A 21 40.243 31.434 72.239 1.00 0.00 O ATOM 0 H SER A 21 42.714 29.617 70.029 1.00 0.00 H new ATOM 0 HA SER A 21 39.888 30.234 69.853 1.00 0.00 H new ATOM 0 HB2 SER A 21 41.887 32.100 71.204 1.00 0.00 H new ATOM 0 HB3 SER A 21 40.340 32.631 70.573 1.00 0.00 H new ATOM 0 HG SER A 21 40.044 30.474 72.249 1.00 0.00 H new ATOM 323 N CYS A 22 40.491 31.876 67.848 1.00 0.00 N ATOM 324 CA CYS A 22 40.915 32.393 66.564 1.00 0.00 C ATOM 325 C CYS A 22 40.151 33.673 66.160 1.00 0.00 C ATOM 326 O CYS A 22 39.010 33.928 66.537 1.00 0.00 O ATOM 327 CB CYS A 22 40.901 31.279 65.488 1.00 0.00 C ATOM 328 SG CYS A 22 39.311 30.534 65.048 1.00 0.00 S ATOM 0 H CYS A 22 39.517 32.040 68.103 1.00 0.00 H new ATOM 0 HA CYS A 22 41.952 32.715 66.654 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.339 31.689 64.578 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.560 30.480 65.827 1.00 0.00 H new ATOM 333 N TYR A 23 40.857 34.505 65.309 1.00 0.00 N ATOM 334 CA TYR A 23 40.451 35.905 65.150 1.00 0.00 C ATOM 335 C TYR A 23 39.904 36.209 63.734 1.00 0.00 C ATOM 336 O TYR A 23 40.350 35.688 62.709 1.00 0.00 O ATOM 337 CB TYR A 23 41.665 36.853 65.422 1.00 0.00 C ATOM 338 CG TYR A 23 42.815 36.643 64.454 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.811 37.236 63.194 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.924 35.869 64.788 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.871 37.102 62.312 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.995 35.710 63.919 1.00 0.00 C ATOM 343 CZ TYR A 23 44.981 36.332 62.667 1.00 0.00 C ATOM 344 OH TYR A 23 46.038 36.209 61.793 1.00 0.00 O ATOM 0 H TYR A 23 41.668 34.223 64.759 1.00 0.00 H new ATOM 0 HA TYR A 23 39.653 36.079 65.871 1.00 0.00 H new ATOM 0 HB2 TYR A 23 41.330 37.888 65.360 1.00 0.00 H new ATOM 0 HB3 TYR A 23 42.021 36.694 66.440 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.953 37.820 62.894 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.951 35.379 65.750 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.839 37.593 61.350 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.841 35.105 64.211 1.00 0.00 H new ATOM 0 HH TYR A 23 46.729 35.641 62.193 1.00 0.00 H new ATOM 354 N LYS A 24 38.866 37.123 63.740 1.00 0.00 N ATOM 355 CA LYS A 24 38.202 37.638 62.551 1.00 0.00 C ATOM 356 C LYS A 24 38.843 39.046 62.324 1.00 0.00 C ATOM 357 O LYS A 24 38.727 39.995 63.098 1.00 0.00 O ATOM 358 CB LYS A 24 36.670 37.688 62.679 1.00 0.00 C ATOM 359 CG LYS A 24 36.027 36.318 63.008 1.00 0.00 C ATOM 360 CD LYS A 24 34.529 36.192 62.674 1.00 0.00 C ATOM 361 CE LYS A 24 34.212 36.068 61.171 1.00 0.00 C ATOM 362 NZ LYS A 24 34.046 34.595 60.786 1.00 0.00 N ATOM 0 H LYS A 24 38.485 37.509 64.604 1.00 0.00 H new ATOM 0 HA LYS A 24 38.350 36.980 61.694 1.00 0.00 H new ATOM 0 HB2 LYS A 24 36.403 38.401 63.459 1.00 0.00 H new ATOM 0 HB3 LYS A 24 36.248 38.062 61.746 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.569 35.543 62.466 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.163 36.118 64.071 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.128 35.319 63.189 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.008 37.063 63.071 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.300 36.618 60.938 1.00 0.00 H new ATOM 0 HE3 LYS A 24 35.014 36.517 60.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.236 34.494 60.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.909 34.260 60.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.879 34.029 61.642 1.00 0.00 H new ATOM 376 N ASN A 25 39.555 39.140 61.151 1.00 0.00 N ATOM 377 CA ASN A 25 40.340 40.289 60.671 1.00 0.00 C ATOM 378 C ASN A 25 39.554 40.719 59.372 1.00 0.00 C ATOM 379 O ASN A 25 39.358 39.922 58.455 1.00 0.00 O ATOM 380 CB ASN A 25 41.758 39.812 60.417 1.00 0.00 C ATOM 381 CG ASN A 25 42.680 40.951 60.085 1.00 0.00 C ATOM 382 OD1 ASN A 25 42.584 41.373 58.810 1.00 0.00 O flip ATOM 383 ND2 ASN A 25 43.424 41.476 60.892 1.00 0.00 N flip ATOM 0 H ASN A 25 39.586 38.362 60.492 1.00 0.00 H new ATOM 0 HA ASN A 25 40.440 41.133 61.353 1.00 0.00 H new ATOM 0 HB2 ASN A 25 42.129 39.290 61.299 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.758 39.094 59.597 1.00 0.00 H new ATOM 0 HD21 ASN A 25 43.467 41.126 61.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 44.005 42.266 60.612 1.00 0.00 H new ATOM 390 N ILE A 26 39.108 42.050 59.311 1.00 0.00 N ATOM 391 CA ILE A 26 37.823 42.314 58.588 1.00 0.00 C ATOM 392 C ILE A 26 37.771 43.534 57.603 1.00 0.00 C ATOM 393 O ILE A 26 36.781 43.751 56.905 1.00 0.00 O ATOM 394 CB ILE A 26 36.727 42.509 59.670 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.583 43.933 60.284 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.850 41.461 60.799 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.755 44.521 61.091 1.00 0.00 C ATOM 0 H ILE A 26 39.577 42.861 59.714 1.00 0.00 H new ATOM 0 HA ILE A 26 37.682 41.453 57.934 1.00 0.00 H new ATOM 0 HB ILE A 26 35.808 42.362 59.103 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.367 44.623 59.468 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.708 43.924 60.934 1.00 0.00 H new ATOM 0 HG21 ILE A 26 36.067 41.629 61.538 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.745 40.460 60.380 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.825 41.554 61.277 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.489 45.517 61.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.969 43.877 61.944 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.638 44.586 60.455 1.00 0.00 H new ATOM 409 N TRP A 27 38.875 44.341 57.588 1.00 0.00 N ATOM 410 CA TRP A 27 39.180 45.571 56.853 1.00 0.00 C ATOM 411 C TRP A 27 39.806 45.119 55.477 1.00 0.00 C ATOM 412 O TRP A 27 39.103 44.659 54.580 1.00 0.00 O ATOM 413 CB TRP A 27 40.127 46.493 57.725 1.00 0.00 C ATOM 414 CG TRP A 27 40.913 45.734 58.769 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.414 44.413 58.630 1.00 0.00 C ATOM 416 CD2 TRP A 27 41.085 46.017 60.124 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.739 43.851 59.828 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.568 44.865 60.749 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.719 47.107 60.953 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.721 44.702 62.088 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.853 46.978 62.328 1.00 0.00 C ATOM 422 CH2 TRP A 27 41.360 45.789 62.894 1.00 0.00 C ATOM 0 H TRP A 27 39.669 44.093 58.179 1.00 0.00 H new ATOM 0 HA TRP A 27 38.299 46.180 56.651 1.00 0.00 H new ATOM 0 HB2 TRP A 27 40.822 47.013 57.066 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.524 47.255 58.219 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.525 43.910 57.681 1.00 0.00 H new ATOM 0 HE1 TRP A 27 42.042 42.893 60.005 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.342 48.023 60.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 42.101 43.783 62.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.566 47.796 62.972 1.00 0.00 H new ATOM 0 HH2 TRP A 27 41.471 45.716 63.966 1.00 0.00 H new ATOM 433 N THR A 28 41.179 45.272 55.316 1.00 0.00 N ATOM 434 CA THR A 28 41.909 44.879 54.111 1.00 0.00 C ATOM 435 C THR A 28 41.670 45.900 52.925 1.00 0.00 C ATOM 436 O THR A 28 40.726 46.685 52.927 1.00 0.00 O ATOM 437 CB THR A 28 41.719 43.397 53.673 1.00 0.00 C ATOM 438 OG1 THR A 28 42.709 42.977 52.734 1.00 0.00 O ATOM 439 CG2 THR A 28 41.608 42.354 54.808 1.00 0.00 C ATOM 0 H THR A 28 41.778 45.674 56.037 1.00 0.00 H new ATOM 0 HA THR A 28 42.961 44.931 54.392 1.00 0.00 H new ATOM 0 HB THR A 28 40.737 43.420 53.200 1.00 0.00 H new ATOM 0 HG1 THR A 28 42.416 43.203 51.827 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.478 41.361 54.378 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.517 42.373 55.410 1.00 0.00 H new ATOM 0 HG23 THR A 28 40.751 42.591 55.438 1.00 0.00 H new ATOM 447 N PHE A 29 42.601 45.889 51.894 1.00 0.00 N ATOM 448 CA PHE A 29 42.506 46.797 50.741 1.00 0.00 C ATOM 449 C PHE A 29 41.269 46.482 49.844 1.00 0.00 C ATOM 450 O PHE A 29 40.664 47.392 49.279 1.00 0.00 O ATOM 451 CB PHE A 29 43.814 46.782 49.866 1.00 0.00 C ATOM 452 CG PHE A 29 44.351 45.380 49.635 1.00 0.00 C ATOM 453 CD1 PHE A 29 43.846 44.544 48.635 1.00 0.00 C ATOM 454 CD2 PHE A 29 45.357 44.873 50.464 1.00 0.00 C ATOM 455 CE1 PHE A 29 44.296 43.230 48.492 1.00 0.00 C ATOM 456 CE2 PHE A 29 45.827 43.568 50.328 1.00 0.00 C ATOM 457 CZ PHE A 29 45.288 42.732 49.343 1.00 0.00 C ATOM 0 H PHE A 29 43.404 45.260 51.864 1.00 0.00 H new ATOM 0 HA PHE A 29 42.382 47.796 51.159 1.00 0.00 H new ATOM 0 HB2 PHE A 29 43.607 47.250 48.904 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.580 47.384 50.355 1.00 0.00 H new ATOM 0 HD1 PHE A 29 43.093 44.922 47.960 1.00 0.00 H new ATOM 0 HD2 PHE A 29 45.780 45.508 51.228 1.00 0.00 H new ATOM 0 HE1 PHE A 29 43.878 42.597 47.723 1.00 0.00 H new ATOM 0 HE2 PHE A 29 46.605 43.202 50.981 1.00 0.00 H new ATOM 0 HZ PHE A 29 45.634 41.714 49.241 1.00 0.00 H new ATOM 467 N ASP A 30 40.926 45.159 49.706 1.00 0.00 N ATOM 468 CA ASP A 30 39.851 44.569 48.932 1.00 0.00 C ATOM 469 C ASP A 30 38.474 44.588 49.682 1.00 0.00 C ATOM 470 O ASP A 30 37.475 44.310 49.018 1.00 0.00 O ATOM 471 CB ASP A 30 40.246 43.140 48.489 1.00 0.00 C ATOM 472 CG ASP A 30 40.874 42.155 49.527 1.00 0.00 C ATOM 473 OD1 ASP A 30 41.372 42.648 50.541 1.00 0.00 O ATOM 474 OD2 ASP A 30 40.862 40.963 49.201 1.00 0.00 O ATOM 0 H ASP A 30 41.462 44.439 50.190 1.00 0.00 H new ATOM 0 HA ASP A 30 39.706 45.186 48.045 1.00 0.00 H new ATOM 0 HB2 ASP A 30 39.351 42.664 48.088 1.00 0.00 H new ATOM 0 HB3 ASP A 30 40.952 43.238 47.664 1.00 0.00 H new ATOM 479 N ASN A 31 38.363 44.942 51.025 1.00 0.00 N ATOM 480 CA ASN A 31 37.099 44.993 51.776 1.00 0.00 C ATOM 481 C ASN A 31 36.652 43.508 51.936 1.00 0.00 C ATOM 482 O ASN A 31 35.755 43.044 51.233 1.00 0.00 O ATOM 483 CB ASN A 31 36.014 45.907 51.193 1.00 0.00 C ATOM 484 CG ASN A 31 36.468 47.357 51.217 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.372 48.067 52.202 1.00 0.00 O ATOM 486 ND2 ASN A 31 36.984 47.809 50.052 1.00 0.00 N ATOM 0 H ASN A 31 39.172 45.196 51.591 1.00 0.00 H new ATOM 0 HA ASN A 31 37.264 45.472 52.741 1.00 0.00 H new ATOM 0 HB2 ASN A 31 35.790 45.607 50.169 1.00 0.00 H new ATOM 0 HB3 ASN A 31 35.093 45.799 51.766 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.308 48.773 49.978 1.00 0.00 H new ATOM 0 HD22 ASN A 31 37.049 47.186 49.247 1.00 0.00 H new ATOM 493 N ILE A 32 37.271 42.761 52.933 1.00 0.00 N ATOM 494 CA ILE A 32 36.978 41.334 53.011 1.00 0.00 C ATOM 495 C ILE A 32 37.302 40.741 54.425 1.00 0.00 C ATOM 496 O ILE A 32 38.134 41.253 55.172 1.00 0.00 O ATOM 497 CB ILE A 32 37.775 40.506 51.945 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.043 39.291 51.334 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.163 40.064 52.464 1.00 0.00 C ATOM 500 CD1 ILE A 32 35.829 39.631 50.439 1.00 0.00 C ATOM 0 H ILE A 32 37.923 43.122 53.629 1.00 0.00 H new ATOM 0 HA ILE A 32 35.909 41.251 52.814 1.00 0.00 H new ATOM 0 HB ILE A 32 37.886 41.221 51.130 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.758 38.716 50.745 1.00 0.00 H new ATOM 0 HG13 ILE A 32 36.706 38.646 52.145 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.676 39.494 51.690 1.00 0.00 H new ATOM 0 HG22 ILE A 32 39.754 40.944 52.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.039 39.442 53.350 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.387 38.710 50.060 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.088 40.176 51.023 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.156 40.247 49.602 1.00 0.00 H new ATOM 512 N ILE A 33 36.627 39.573 54.754 1.00 0.00 N ATOM 513 CA ILE A 33 36.977 38.794 55.959 1.00 0.00 C ATOM 514 C ILE A 33 38.016 37.733 55.449 1.00 0.00 C ATOM 515 O ILE A 33 37.717 36.823 54.680 1.00 0.00 O ATOM 516 CB ILE A 33 35.795 38.130 56.679 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.888 39.143 57.426 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.208 36.997 57.645 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.403 38.734 57.426 1.00 0.00 C ATOM 0 H ILE A 33 35.863 39.180 54.204 1.00 0.00 H new ATOM 0 HA ILE A 33 37.372 39.459 56.727 1.00 0.00 H new ATOM 0 HB ILE A 33 35.220 37.682 55.869 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.232 39.240 58.456 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.989 40.124 56.962 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.319 36.578 58.115 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.727 36.216 57.089 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.870 37.397 58.413 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.820 39.482 57.963 1.00 0.00 H new ATOM 0 HD12 ILE A 33 33.045 38.664 56.399 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.292 37.767 57.916 1.00 0.00 H new ATOM 531 N ARG A 34 39.313 37.872 55.905 1.00 0.00 N ATOM 532 CA ARG A 34 40.406 36.992 55.475 1.00 0.00 C ATOM 533 C ARG A 34 41.368 37.109 56.685 1.00 0.00 C ATOM 534 O ARG A 34 41.905 38.159 57.038 1.00 0.00 O ATOM 535 CB ARG A 34 41.037 37.388 54.136 1.00 0.00 C ATOM 536 CG ARG A 34 42.224 36.535 53.648 1.00 0.00 C ATOM 537 CD ARG A 34 42.427 36.633 52.119 1.00 0.00 C ATOM 538 NE ARG A 34 42.660 37.936 51.453 1.00 0.00 N ATOM 539 CZ ARG A 34 42.971 39.107 51.981 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.656 39.202 53.090 1.00 0.00 N ATOM 541 NH2 ARG A 34 42.597 40.195 51.371 1.00 0.00 N ATOM 0 H ARG A 34 39.600 38.592 56.568 1.00 0.00 H new ATOM 0 HA ARG A 34 40.092 35.971 55.257 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.260 37.358 53.372 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.370 38.423 54.210 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.133 36.858 54.155 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.058 35.494 53.924 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.274 35.993 51.870 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.546 36.192 51.653 1.00 0.00 H new ATOM 0 HE ARG A 34 42.567 37.928 50.437 1.00 0.00 H new ATOM 0 HH11 ARG A 34 43.966 38.358 53.572 1.00 0.00 H new ATOM 0 HH12 ARG A 34 43.881 40.120 53.473 1.00 0.00 H new ATOM 0 HH21 ARG A 34 42.072 40.136 50.499 1.00 0.00 H new ATOM 0 HH22 ARG A 34 42.829 41.106 51.766 1.00 0.00 H new ATOM 555 N ARG A 35 41.541 35.916 57.374 1.00 0.00 N ATOM 556 CA ARG A 35 41.904 35.973 58.777 1.00 0.00 C ATOM 557 C ARG A 35 42.600 34.682 59.284 1.00 0.00 C ATOM 558 O ARG A 35 43.043 33.870 58.472 1.00 0.00 O ATOM 559 CB ARG A 35 40.607 36.341 59.535 1.00 0.00 C ATOM 560 CG ARG A 35 39.385 35.387 59.434 1.00 0.00 C ATOM 561 CD ARG A 35 39.654 33.913 59.754 1.00 0.00 C ATOM 562 NE ARG A 35 38.500 33.066 60.160 1.00 0.00 N ATOM 563 CZ ARG A 35 38.082 32.868 61.403 1.00 0.00 C ATOM 564 NH1 ARG A 35 38.574 33.526 62.412 1.00 0.00 N ATOM 565 NH2 ARG A 35 37.160 31.976 61.614 1.00 0.00 N ATOM 0 H ARG A 35 41.435 34.982 56.979 1.00 0.00 H new ATOM 0 HA ARG A 35 42.668 36.729 58.957 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.859 36.444 60.590 1.00 0.00 H new ATOM 0 HB3 ARG A 35 40.288 37.323 59.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.610 35.749 60.110 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.982 35.451 58.423 1.00 0.00 H new ATOM 0 HD2 ARG A 35 40.110 33.458 58.875 1.00 0.00 H new ATOM 0 HD3 ARG A 35 40.395 33.874 60.553 1.00 0.00 H new ATOM 0 HE ARG A 35 37.984 32.596 59.416 1.00 0.00 H new ATOM 0 HH11 ARG A 35 39.306 34.220 62.260 1.00 0.00 H new ATOM 0 HH12 ARG A 35 38.228 33.347 63.355 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.774 31.446 60.832 1.00 0.00 H new ATOM 0 HH22 ARG A 35 36.822 31.806 62.561 1.00 0.00 H new ATOM 579 N GLY A 36 42.765 34.538 60.661 1.00 0.00 N ATOM 580 CA GLY A 36 43.503 33.328 61.036 1.00 0.00 C ATOM 581 C GLY A 36 43.483 32.858 62.495 1.00 0.00 C ATOM 582 O GLY A 36 42.707 33.322 63.321 1.00 0.00 O ATOM 0 H GLY A 36 42.441 35.158 61.404 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.124 32.510 60.423 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.545 33.480 60.755 1.00 0.00 H new ATOM 586 N CYS A 37 44.368 31.824 62.748 1.00 0.00 N ATOM 587 CA CYS A 37 44.440 31.143 64.047 1.00 0.00 C ATOM 588 C CYS A 37 45.363 31.982 65.004 1.00 0.00 C ATOM 589 O CYS A 37 46.547 32.189 64.735 1.00 0.00 O ATOM 590 CB CYS A 37 44.966 29.712 63.902 1.00 0.00 C ATOM 591 SG CYS A 37 44.962 28.946 65.546 1.00 0.00 S ATOM 0 H CYS A 37 45.026 31.466 62.056 1.00 0.00 H new ATOM 0 HA CYS A 37 43.437 31.071 64.468 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.340 29.143 63.215 1.00 0.00 H new ATOM 0 HB3 CYS A 37 45.973 29.716 63.486 1.00 0.00 H new ATOM 596 N GLY A 38 44.788 32.535 66.155 1.00 0.00 N ATOM 597 CA GLY A 38 45.671 33.308 67.028 1.00 0.00 C ATOM 598 C GLY A 38 44.912 33.526 68.352 1.00 0.00 C ATOM 599 O GLY A 38 44.920 32.671 69.230 1.00 0.00 O ATOM 0 H GLY A 38 43.814 32.452 66.445 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.606 32.775 67.202 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.929 34.262 66.569 1.00 0.00 H new ATOM 603 N CYS A 39 44.225 34.722 68.490 1.00 0.00 N ATOM 604 CA CYS A 39 43.438 35.038 69.683 1.00 0.00 C ATOM 605 C CYS A 39 44.385 35.609 70.779 1.00 0.00 C ATOM 606 O CYS A 39 44.412 36.803 71.064 1.00 0.00 O ATOM 607 CB CYS A 39 42.289 35.983 69.351 1.00 0.00 C ATOM 608 SG CYS A 39 41.377 36.490 70.835 1.00 0.00 S ATOM 0 H CYS A 39 44.219 35.455 67.781 1.00 0.00 H new ATOM 0 HA CYS A 39 42.976 34.130 70.070 1.00 0.00 H new ATOM 0 HB2 CYS A 39 42.680 36.866 68.846 1.00 0.00 H new ATOM 0 HB3 CYS A 39 41.607 35.494 68.655 1.00 0.00 H new ATOM 613 N PHE A 40 45.170 34.661 71.402 1.00 0.00 N ATOM 614 CA PHE A 40 46.155 34.925 72.457 1.00 0.00 C ATOM 615 C PHE A 40 47.182 35.911 71.755 1.00 0.00 C ATOM 616 O PHE A 40 48.040 35.485 70.985 1.00 0.00 O ATOM 617 CB PHE A 40 46.775 33.571 72.915 1.00 0.00 C ATOM 618 CG PHE A 40 45.727 32.466 73.060 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.897 32.328 74.177 1.00 0.00 C ATOM 620 CD2 PHE A 40 45.500 31.596 71.986 1.00 0.00 C ATOM 621 CE1 PHE A 40 43.852 31.402 74.195 1.00 0.00 C ATOM 622 CE2 PHE A 40 44.438 30.700 71.971 1.00 0.00 C ATOM 623 CZ PHE A 40 43.605 30.592 73.086 1.00 0.00 C ATOM 0 H PHE A 40 45.114 33.672 71.159 1.00 0.00 H new ATOM 0 HA PHE A 40 45.762 35.375 73.369 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.530 33.259 72.194 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.284 33.712 73.869 1.00 0.00 H new ATOM 0 HD1 PHE A 40 45.068 32.950 75.043 1.00 0.00 H new ATOM 0 HD2 PHE A 40 46.173 31.622 71.142 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.230 31.312 75.074 1.00 0.00 H new ATOM 0 HE2 PHE A 40 44.258 30.089 71.099 1.00 0.00 H new ATOM 0 HZ PHE A 40 42.782 29.892 73.090 1.00 0.00 H new ATOM 633 N THR A 41 47.101 37.274 72.055 1.00 0.00 N ATOM 634 CA THR A 41 47.892 38.307 71.321 1.00 0.00 C ATOM 635 C THR A 41 49.022 38.809 72.305 1.00 0.00 C ATOM 636 O THR A 41 48.744 39.569 73.234 1.00 0.00 O ATOM 637 CB THR A 41 47.046 39.514 70.822 1.00 0.00 C ATOM 638 OG1 THR A 41 46.365 40.246 71.843 1.00 0.00 O ATOM 639 CG2 THR A 41 47.812 40.448 69.869 1.00 0.00 C ATOM 0 H THR A 41 46.502 37.654 72.788 1.00 0.00 H new ATOM 0 HA THR A 41 48.299 37.850 70.419 1.00 0.00 H new ATOM 0 HB THR A 41 46.258 39.034 70.242 1.00 0.00 H new ATOM 0 HG1 THR A 41 46.925 40.284 72.647 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.162 41.267 69.561 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.686 40.852 70.380 1.00 0.00 H new ATOM 0 HG23 THR A 41 48.132 39.888 68.990 1.00 0.00 H new ATOM 647 N PRO A 42 50.350 38.455 72.053 1.00 0.00 N ATOM 648 CA PRO A 42 51.451 38.852 72.963 1.00 0.00 C ATOM 649 C PRO A 42 52.003 40.220 72.459 1.00 0.00 C ATOM 650 O PRO A 42 53.207 40.369 72.252 1.00 0.00 O ATOM 651 CB PRO A 42 52.456 37.694 72.837 1.00 0.00 C ATOM 652 CG PRO A 42 52.322 37.346 71.348 1.00 0.00 C ATOM 653 CD PRO A 42 50.800 37.366 71.183 1.00 0.00 C ATOM 0 HA PRO A 42 51.179 38.999 74.008 1.00 0.00 H new ATOM 0 HB2 PRO A 42 53.469 37.998 73.099 1.00 0.00 H new ATOM 0 HB3 PRO A 42 52.198 36.853 73.481 1.00 0.00 H new ATOM 0 HG2 PRO A 42 52.817 38.076 70.707 1.00 0.00 H new ATOM 0 HG3 PRO A 42 52.750 36.372 71.111 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.516 37.544 70.146 1.00 0.00 H new ATOM 0 HD3 PRO A 42 50.357 36.415 71.477 1.00 0.00 H new ATOM 661 N ARG A 43 51.094 41.256 72.312 1.00 0.00 N ATOM 662 CA ARG A 43 51.548 42.542 71.798 1.00 0.00 C ATOM 663 C ARG A 43 50.432 43.558 72.201 1.00 0.00 C ATOM 664 O ARG A 43 49.422 43.715 71.518 1.00 0.00 O ATOM 665 CB ARG A 43 51.797 42.504 70.271 1.00 0.00 C ATOM 666 CG ARG A 43 52.585 43.676 69.648 1.00 0.00 C ATOM 667 CD ARG A 43 52.798 43.406 68.147 1.00 0.00 C ATOM 668 NE ARG A 43 53.726 44.220 67.326 1.00 0.00 N ATOM 669 CZ ARG A 43 53.989 45.514 67.415 1.00 0.00 C ATOM 670 NH1 ARG A 43 53.948 46.146 68.541 1.00 0.00 N ATOM 671 NH2 ARG A 43 54.326 46.172 66.335 1.00 0.00 N ATOM 0 H ARG A 43 50.101 41.201 72.538 1.00 0.00 H new ATOM 0 HA ARG A 43 52.513 42.828 72.217 1.00 0.00 H new ATOM 0 HB2 ARG A 43 52.328 41.581 70.040 1.00 0.00 H new ATOM 0 HB3 ARG A 43 50.829 42.448 69.774 1.00 0.00 H new ATOM 0 HG2 ARG A 43 52.041 44.610 69.787 1.00 0.00 H new ATOM 0 HG3 ARG A 43 53.546 43.790 70.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 53.125 42.370 68.057 1.00 0.00 H new ATOM 0 HD3 ARG A 43 51.818 43.473 67.674 1.00 0.00 H new ATOM 0 HE ARG A 43 54.229 43.716 66.596 1.00 0.00 H new ATOM 0 HH11 ARG A 43 53.707 45.647 69.397 1.00 0.00 H new ATOM 0 HH12 ARG A 43 54.156 47.144 68.574 1.00 0.00 H new ATOM 0 HH21 ARG A 43 54.383 45.687 65.439 1.00 0.00 H new ATOM 0 HH22 ARG A 43 54.531 47.170 66.389 1.00 0.00 H new ATOM 685 N GLY A 44 50.624 44.265 73.384 1.00 0.00 N ATOM 686 CA GLY A 44 49.628 45.227 73.868 1.00 0.00 C ATOM 687 C GLY A 44 49.725 46.661 73.250 1.00 0.00 C ATOM 688 O GLY A 44 48.964 47.520 73.698 1.00 0.00 O ATOM 0 H GLY A 44 51.445 44.168 73.981 1.00 0.00 H new ATOM 0 HA2 GLY A 44 48.634 44.829 73.665 1.00 0.00 H new ATOM 0 HA3 GLY A 44 49.723 45.309 74.951 1.00 0.00 H new ATOM 692 N ASP A 45 50.599 46.938 72.215 1.00 0.00 N ATOM 693 CA ASP A 45 50.697 48.240 71.516 1.00 0.00 C ATOM 694 C ASP A 45 50.086 48.137 70.074 1.00 0.00 C ATOM 695 O ASP A 45 50.440 48.872 69.153 1.00 0.00 O ATOM 696 CB ASP A 45 52.127 48.805 71.521 1.00 0.00 C ATOM 697 CG ASP A 45 53.155 47.919 70.769 1.00 0.00 C ATOM 698 OD1 ASP A 45 53.172 46.724 71.094 1.00 0.00 O ATOM 699 OD2 ASP A 45 53.831 48.482 69.901 1.00 0.00 O ATOM 0 H ASP A 45 51.253 46.244 71.854 1.00 0.00 H new ATOM 0 HA ASP A 45 50.102 48.964 72.072 1.00 0.00 H new ATOM 0 HB2 ASP A 45 52.117 49.797 71.069 1.00 0.00 H new ATOM 0 HB3 ASP A 45 52.455 48.929 72.553 1.00 0.00 H new ATOM 704 N MET A 46 49.057 47.231 69.931 1.00 0.00 N ATOM 705 CA MET A 46 48.328 47.029 68.686 1.00 0.00 C ATOM 706 C MET A 46 46.955 46.408 69.126 1.00 0.00 C ATOM 707 O MET A 46 46.912 45.334 69.729 1.00 0.00 O ATOM 708 CB MET A 46 48.985 46.091 67.652 1.00 0.00 C ATOM 709 CG MET A 46 48.141 45.855 66.386 1.00 0.00 C ATOM 710 SD MET A 46 47.918 47.338 65.365 1.00 0.00 S ATOM 711 CE MET A 46 46.643 46.691 64.254 1.00 0.00 C ATOM 0 H MET A 46 48.733 46.635 70.693 1.00 0.00 H new ATOM 0 HA MET A 46 48.271 47.988 68.171 1.00 0.00 H new ATOM 0 HB2 MET A 46 49.948 46.509 67.360 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.185 45.130 68.126 1.00 0.00 H new ATOM 0 HG2 MET A 46 48.615 45.079 65.784 1.00 0.00 H new ATOM 0 HG3 MET A 46 47.162 45.477 66.679 1.00 0.00 H new ATOM 0 HE1 MET A 46 46.361 47.461 63.536 1.00 0.00 H new ATOM 0 HE2 MET A 46 47.031 45.823 63.722 1.00 0.00 H new ATOM 0 HE3 MET A 46 45.768 46.399 64.835 1.00 0.00 H new ATOM 721 N PRO A 47 45.781 47.090 68.808 1.00 0.00 N ATOM 722 CA PRO A 47 44.473 46.517 69.150 1.00 0.00 C ATOM 723 C PRO A 47 44.287 45.358 68.111 1.00 0.00 C ATOM 724 O PRO A 47 44.134 45.558 66.905 1.00 0.00 O ATOM 725 CB PRO A 47 43.474 47.677 69.014 1.00 0.00 C ATOM 726 CG PRO A 47 44.112 48.575 67.940 1.00 0.00 C ATOM 727 CD PRO A 47 45.622 48.401 68.174 1.00 0.00 C ATOM 0 HA PRO A 47 44.349 46.104 70.151 1.00 0.00 H new ATOM 0 HB2 PRO A 47 42.489 47.325 68.709 1.00 0.00 H new ATOM 0 HB3 PRO A 47 43.345 48.208 69.957 1.00 0.00 H new ATOM 0 HG2 PRO A 47 43.824 48.265 66.935 1.00 0.00 H new ATOM 0 HG3 PRO A 47 43.806 49.615 68.053 1.00 0.00 H new ATOM 0 HD2 PRO A 47 46.171 48.449 67.234 1.00 0.00 H new ATOM 0 HD3 PRO A 47 46.012 49.194 68.812 1.00 0.00 H new ATOM 735 N GLY A 48 44.290 44.062 68.616 1.00 0.00 N ATOM 736 CA GLY A 48 44.167 42.929 67.706 1.00 0.00 C ATOM 737 C GLY A 48 42.774 42.813 67.023 1.00 0.00 C ATOM 738 O GLY A 48 41.771 43.344 67.495 1.00 0.00 O ATOM 0 H GLY A 48 44.374 43.821 69.604 1.00 0.00 H new ATOM 0 HA2 GLY A 48 44.933 43.011 66.934 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.367 42.010 68.257 1.00 0.00 H new ATOM 742 N PRO A 49 42.755 42.039 65.868 1.00 0.00 N ATOM 743 CA PRO A 49 41.477 41.611 65.258 1.00 0.00 C ATOM 744 C PRO A 49 40.607 40.981 66.398 1.00 0.00 C ATOM 745 O PRO A 49 41.074 40.333 67.333 1.00 0.00 O ATOM 746 CB PRO A 49 41.860 40.568 64.203 1.00 0.00 C ATOM 747 CG PRO A 49 43.146 40.010 64.795 1.00 0.00 C ATOM 748 CD PRO A 49 43.849 41.266 65.285 1.00 0.00 C ATOM 0 HA PRO A 49 40.908 42.419 64.798 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.094 39.801 64.085 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.018 41.014 63.221 1.00 0.00 H new ATOM 0 HG2 PRO A 49 42.950 39.311 65.608 1.00 0.00 H new ATOM 0 HG3 PRO A 49 43.738 39.476 64.051 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.620 41.038 66.020 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.335 41.803 64.470 1.00 0.00 H new ATOM 756 N TYR A 50 39.237 41.190 66.262 1.00 0.00 N ATOM 757 CA TYR A 50 38.338 40.673 67.302 1.00 0.00 C ATOM 758 C TYR A 50 38.156 39.133 67.179 1.00 0.00 C ATOM 759 O TYR A 50 38.279 38.560 66.100 1.00 0.00 O ATOM 760 CB TYR A 50 36.919 41.343 67.422 1.00 0.00 C ATOM 761 CG TYR A 50 36.034 40.981 66.258 1.00 0.00 C ATOM 762 CD1 TYR A 50 35.245 39.831 66.275 1.00 0.00 C ATOM 763 CD2 TYR A 50 36.002 41.769 65.115 1.00 0.00 C ATOM 764 CE1 TYR A 50 34.500 39.445 65.174 1.00 0.00 C ATOM 765 CE2 TYR A 50 35.236 41.422 64.014 1.00 0.00 C ATOM 766 CZ TYR A 50 34.491 40.239 64.010 1.00 0.00 C ATOM 767 OH TYR A 50 33.776 39.817 62.929 1.00 0.00 O ATOM 0 H TYR A 50 38.787 41.680 65.489 1.00 0.00 H new ATOM 0 HA TYR A 50 38.862 40.946 68.218 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.445 41.028 68.352 1.00 0.00 H new ATOM 0 HB3 TYR A 50 37.031 42.426 67.472 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.215 39.227 67.170 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.589 42.675 65.084 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.924 38.532 65.207 1.00 0.00 H new ATOM 0 HE2 TYR A 50 35.214 42.071 63.151 1.00 0.00 H new ATOM 0 HH TYR A 50 33.865 40.469 62.203 1.00 0.00 H new ATOM 777 N CYS A 51 37.804 38.466 68.345 1.00 0.00 N ATOM 778 CA CYS A 51 37.905 37.002 68.380 1.00 0.00 C ATOM 779 C CYS A 51 36.594 36.215 68.630 1.00 0.00 C ATOM 780 O CYS A 51 35.612 36.700 69.184 1.00 0.00 O ATOM 781 CB CYS A 51 38.869 36.603 69.511 1.00 0.00 C ATOM 782 SG CYS A 51 40.240 37.776 69.721 1.00 0.00 S ATOM 0 H CYS A 51 37.473 38.908 69.202 1.00 0.00 H new ATOM 0 HA CYS A 51 38.237 36.737 67.376 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.313 36.531 70.446 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.274 35.613 69.303 1.00 0.00 H new ATOM 787 N CYS A 52 36.697 34.893 68.250 1.00 0.00 N ATOM 788 CA CYS A 52 35.651 33.920 68.482 1.00 0.00 C ATOM 789 C CYS A 52 36.342 32.566 68.866 1.00 0.00 C ATOM 790 O CYS A 52 37.357 32.141 68.312 1.00 0.00 O ATOM 791 CB CYS A 52 34.764 33.745 67.269 1.00 0.00 C ATOM 792 SG CYS A 52 33.068 33.299 67.713 1.00 0.00 S ATOM 0 H CYS A 52 37.517 34.510 67.779 1.00 0.00 H new ATOM 0 HA CYS A 52 35.003 34.265 69.288 1.00 0.00 H new ATOM 0 HB2 CYS A 52 34.754 34.670 66.693 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.183 32.972 66.624 1.00 0.00 H new ATOM 797 N GLU A 53 35.716 31.859 69.866 1.00 0.00 N ATOM 798 CA GLU A 53 36.254 30.606 70.409 1.00 0.00 C ATOM 799 C GLU A 53 35.085 29.583 70.395 1.00 0.00 C ATOM 800 O GLU A 53 34.657 29.074 71.428 1.00 0.00 O ATOM 801 CB GLU A 53 36.961 30.829 71.763 1.00 0.00 C ATOM 802 CG GLU A 53 36.172 31.539 72.887 1.00 0.00 C ATOM 803 CD GLU A 53 36.906 31.383 74.219 1.00 0.00 C ATOM 804 OE1 GLU A 53 37.183 30.323 74.751 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.196 32.562 74.765 1.00 0.00 O ATOM 0 H GLU A 53 34.840 32.154 70.298 1.00 0.00 H new ATOM 0 HA GLU A 53 37.059 30.192 69.802 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.275 29.856 72.140 1.00 0.00 H new ATOM 0 HB3 GLU A 53 37.867 31.406 71.575 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.055 32.596 72.649 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.170 31.116 72.963 1.00 0.00 H new ATOM 813 N SER A 54 34.618 29.263 69.130 1.00 0.00 N ATOM 814 CA SER A 54 33.468 28.386 68.920 1.00 0.00 C ATOM 815 C SER A 54 33.607 27.888 67.450 1.00 0.00 C ATOM 816 O SER A 54 32.881 28.342 66.566 1.00 0.00 O ATOM 817 CB SER A 54 32.050 29.004 69.170 1.00 0.00 C ATOM 818 OG SER A 54 31.712 28.984 70.552 1.00 0.00 O ATOM 0 H SER A 54 35.038 29.612 68.268 1.00 0.00 H new ATOM 0 HA SER A 54 33.502 27.595 69.670 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.029 30.030 68.803 1.00 0.00 H new ATOM 0 HB3 SER A 54 31.304 28.448 68.603 1.00 0.00 H new ATOM 0 HG SER A 54 32.532 28.989 71.089 1.00 0.00 H new ATOM 824 N ASP A 55 34.559 26.906 67.202 1.00 0.00 N ATOM 825 CA ASP A 55 34.718 26.354 65.859 1.00 0.00 C ATOM 826 C ASP A 55 35.061 27.553 64.875 1.00 0.00 C ATOM 827 O ASP A 55 35.726 28.536 65.202 1.00 0.00 O ATOM 828 CB ASP A 55 33.516 25.455 65.461 1.00 0.00 C ATOM 829 CG ASP A 55 33.752 24.405 64.351 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.840 24.402 63.773 1.00 0.00 O ATOM 831 OD2 ASP A 55 32.768 23.697 64.106 1.00 0.00 O ATOM 0 H ASP A 55 35.187 26.517 67.905 1.00 0.00 H new ATOM 0 HA ASP A 55 35.556 25.659 65.804 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.177 24.931 66.354 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.700 26.104 65.143 1.00 0.00 H new ATOM 836 N LYS A 56 34.594 27.381 63.586 1.00 0.00 N ATOM 837 CA LYS A 56 34.793 28.357 62.521 1.00 0.00 C ATOM 838 C LYS A 56 34.144 29.730 62.872 1.00 0.00 C ATOM 839 O LYS A 56 34.658 30.743 62.396 1.00 0.00 O ATOM 840 CB LYS A 56 34.379 27.868 61.126 1.00 0.00 C ATOM 841 CG LYS A 56 32.917 27.440 60.954 1.00 0.00 C ATOM 842 CD LYS A 56 32.487 26.047 61.478 1.00 0.00 C ATOM 843 CE LYS A 56 33.221 24.851 60.829 1.00 0.00 C ATOM 844 NZ LYS A 56 33.399 23.669 61.789 1.00 0.00 N ATOM 0 H LYS A 56 34.075 26.555 63.289 1.00 0.00 H new ATOM 0 HA LYS A 56 35.872 28.497 62.460 1.00 0.00 H new ATOM 0 HB2 LYS A 56 34.587 28.663 60.411 1.00 0.00 H new ATOM 0 HB3 LYS A 56 35.015 27.024 60.858 1.00 0.00 H new ATOM 0 HG2 LYS A 56 32.293 28.186 61.446 1.00 0.00 H new ATOM 0 HG3 LYS A 56 32.683 27.481 59.890 1.00 0.00 H new ATOM 0 HD2 LYS A 56 32.651 26.014 62.555 1.00 0.00 H new ATOM 0 HD3 LYS A 56 31.416 25.929 61.315 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.663 24.520 59.953 1.00 0.00 H new ATOM 0 HE3 LYS A 56 34.200 25.179 60.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.220 22.779 61.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.370 23.667 62.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.727 23.758 62.578 1.00 0.00 H new ATOM 858 N CYS A 57 33.014 29.804 63.673 1.00 0.00 N ATOM 859 CA CYS A 57 32.381 31.058 64.088 1.00 0.00 C ATOM 860 C CYS A 57 32.148 31.915 62.790 1.00 0.00 C ATOM 861 O CYS A 57 32.594 33.054 62.653 1.00 0.00 O ATOM 862 CB CYS A 57 33.080 31.738 65.271 1.00 0.00 C ATOM 863 SG CYS A 57 32.321 33.306 65.791 1.00 0.00 S ATOM 0 H CYS A 57 32.540 28.976 64.033 1.00 0.00 H new ATOM 0 HA CYS A 57 31.402 30.883 64.534 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.084 31.052 66.118 1.00 0.00 H new ATOM 0 HB3 CYS A 57 34.121 31.923 65.005 1.00 0.00 H new ATOM 868 N ASN A 58 31.344 31.289 61.848 1.00 0.00 N ATOM 869 CA ASN A 58 30.785 31.874 60.631 1.00 0.00 C ATOM 870 C ASN A 58 31.939 32.539 59.817 1.00 0.00 C ATOM 871 O ASN A 58 31.966 33.759 59.682 1.00 0.00 O ATOM 872 CB ASN A 58 29.574 32.772 60.885 1.00 0.00 C ATOM 873 CG ASN A 58 28.404 31.962 61.428 1.00 0.00 C ATOM 874 OD1 ASN A 58 28.142 31.872 62.613 1.00 0.00 O ATOM 875 ND2 ASN A 58 27.661 31.340 60.482 1.00 0.00 N ATOM 0 H ASN A 58 31.074 30.311 61.955 1.00 0.00 H new ATOM 0 HA ASN A 58 30.359 31.082 60.015 1.00 0.00 H new ATOM 0 HB2 ASN A 58 29.839 33.556 61.594 1.00 0.00 H new ATOM 0 HB3 ASN A 58 29.281 33.266 59.959 1.00 0.00 H new ATOM 0 HD21 ASN A 58 26.856 30.776 60.755 1.00 0.00 H new ATOM 0 HD22 ASN A 58 27.907 31.435 59.497 1.00 0.00 H new ATOM 882 N LEU A 59 32.835 31.669 59.209 1.00 0.00 N ATOM 883 CA LEU A 59 33.954 31.963 58.279 1.00 0.00 C ATOM 884 C LEU A 59 35.287 32.083 59.131 1.00 0.00 C ATOM 885 O LEU A 59 35.600 33.226 59.482 1.00 0.00 O ATOM 886 CB LEU A 59 33.771 33.225 57.415 1.00 0.00 C ATOM 887 CG LEU A 59 32.533 33.447 56.522 1.00 0.00 C ATOM 888 CD1 LEU A 59 32.413 34.934 56.151 1.00 0.00 C ATOM 889 CD2 LEU A 59 32.546 32.566 55.264 1.00 0.00 C ATOM 890 OXT LEU A 59 35.882 31.029 59.392 1.00 0.00 O ATOM 0 H LEU A 59 32.769 30.667 59.386 1.00 0.00 H new ATOM 0 HA LEU A 59 33.992 31.139 57.566 1.00 0.00 H new ATOM 0 HB2 LEU A 59 33.823 34.077 58.093 1.00 0.00 H new ATOM 0 HB3 LEU A 59 34.641 33.284 56.761 1.00 0.00 H new ATOM 0 HG LEU A 59 31.657 33.148 57.098 1.00 0.00 H new ATOM 0 HD11 LEU A 59 31.536 35.082 55.520 1.00 0.00 H new ATOM 0 HD12 LEU A 59 32.311 35.528 57.059 1.00 0.00 H new ATOM 0 HD13 LEU A 59 33.306 35.247 55.610 1.00 0.00 H new ATOM 0 HD21 LEU A 59 31.652 32.763 54.672 1.00 0.00 H new ATOM 0 HD22 LEU A 59 33.431 32.793 54.670 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.564 31.516 55.555 1.00 0.00 H new TER 902 LEU A 59