USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 HIS : no HD1:sc= -0.911 K(o=0.056,f=-2) USER MOD Set 1.2: A 13 THR OG1 : rot -73:sc= 0.967 USER MOD Single : A 1 ARG N :NH3+ -136:sc= 0.433! (180deg=-4.52!) USER MOD Single : A 4 TYR OH : rot 115:sc= 0.937 USER MOD Single : A 5 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.86) USER MOD Single : A 9 THR OG1 : rot 6:sc= 0.705 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= -0.962 X(o=-0.96,f=-1.1) USER MOD Single : A 21 SER OG : rot -79:sc= 1.45 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 2.08 (180deg=1.81) USER MOD Single : A 25 ASN : amide:sc= -2.69! C(o=-2.7!,f=-5.2!) USER MOD Single : A 28 THR OG1 : rot -79:sc= 0.44 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 101:sc= 0.296 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0188 USER MOD Single : A 54 SER OG : rot 180:sc= 0.133 USER MOD Single : A 56 LYS NZ :NH3+ -107:sc= -2.17! (180deg=-8.66!) USER MOD Single : A 58 ASN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 41.440 25.625 67.313 1.00 0.00 N ATOM 2 CA ARG A 1 40.078 25.256 66.708 1.00 0.00 C ATOM 3 C ARG A 1 40.121 25.530 65.160 1.00 0.00 C ATOM 4 O ARG A 1 41.117 26.046 64.660 1.00 0.00 O ATOM 5 CB ARG A 1 38.927 26.053 67.395 1.00 0.00 C ATOM 6 CG ARG A 1 37.826 25.217 68.092 1.00 0.00 C ATOM 7 CD ARG A 1 38.321 24.322 69.242 1.00 0.00 C ATOM 8 NE ARG A 1 38.973 25.030 70.389 1.00 0.00 N ATOM 9 CZ ARG A 1 38.378 25.883 71.212 1.00 0.00 C ATOM 10 NH1 ARG A 1 37.081 25.890 71.374 1.00 0.00 N ATOM 11 NH2 ARG A 1 39.101 26.735 71.888 1.00 0.00 N ATOM 0 H1 ARG A 1 41.735 24.885 67.982 1.00 0.00 H new ATOM 0 H2 ARG A 1 42.146 25.707 66.554 1.00 0.00 H new ATOM 0 H3 ARG A 1 41.363 26.533 67.813 1.00 0.00 H new ATOM 0 HA ARG A 1 39.876 24.199 66.879 1.00 0.00 H new ATOM 0 HB2 ARG A 1 39.369 26.720 68.136 1.00 0.00 H new ATOM 0 HB3 ARG A 1 38.452 26.682 66.643 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.067 25.896 68.480 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.340 24.589 67.345 1.00 0.00 H new ATOM 0 HD2 ARG A 1 37.473 23.755 69.625 1.00 0.00 H new ATOM 0 HD3 ARG A 1 39.030 23.601 68.836 1.00 0.00 H new ATOM 0 HE ARG A 1 39.962 24.840 70.552 1.00 0.00 H new ATOM 0 HH11 ARG A 1 36.499 25.228 70.861 1.00 0.00 H new ATOM 0 HH12 ARG A 1 36.651 26.558 72.014 1.00 0.00 H new ATOM 0 HH21 ARG A 1 40.115 26.741 71.781 1.00 0.00 H new ATOM 0 HH22 ARG A 1 38.651 27.394 72.523 1.00 0.00 H new ATOM 27 N ILE A 2 39.015 25.146 64.402 1.00 0.00 N ATOM 28 CA ILE A 2 38.986 25.349 62.929 1.00 0.00 C ATOM 29 C ILE A 2 38.558 26.835 62.626 1.00 0.00 C ATOM 30 O ILE A 2 37.499 27.293 63.054 1.00 0.00 O ATOM 31 CB ILE A 2 38.010 24.434 62.135 1.00 0.00 C ATOM 32 CG1 ILE A 2 38.349 22.929 62.287 1.00 0.00 C ATOM 33 CG2 ILE A 2 37.971 24.806 60.632 1.00 0.00 C ATOM 34 CD1 ILE A 2 37.418 21.959 61.536 1.00 0.00 C ATOM 0 H ILE A 2 38.176 24.714 64.789 1.00 0.00 H new ATOM 0 HA ILE A 2 39.994 25.099 62.599 1.00 0.00 H new ATOM 0 HB ILE A 2 37.025 24.605 62.569 1.00 0.00 H new ATOM 0 HG12 ILE A 2 39.369 22.768 61.939 1.00 0.00 H new ATOM 0 HG13 ILE A 2 38.330 22.676 63.347 1.00 0.00 H new ATOM 0 HG21 ILE A 2 37.278 24.145 60.111 1.00 0.00 H new ATOM 0 HG22 ILE A 2 37.640 25.838 60.521 1.00 0.00 H new ATOM 0 HG23 ILE A 2 38.968 24.697 60.204 1.00 0.00 H new ATOM 0 HD11 ILE A 2 37.744 20.934 61.710 1.00 0.00 H new ATOM 0 HD12 ILE A 2 36.397 22.081 61.898 1.00 0.00 H new ATOM 0 HD13 ILE A 2 37.453 22.175 60.468 1.00 0.00 H new ATOM 46 N CYS A 3 39.388 27.589 61.800 1.00 0.00 N ATOM 47 CA CYS A 3 39.049 28.955 61.394 1.00 0.00 C ATOM 48 C CYS A 3 39.734 29.206 59.987 1.00 0.00 C ATOM 49 O CYS A 3 40.875 28.804 59.768 1.00 0.00 O ATOM 50 CB CYS A 3 39.439 30.019 62.440 1.00 0.00 C ATOM 51 SG CYS A 3 39.640 29.277 64.111 1.00 0.00 S ATOM 0 H CYS A 3 40.274 27.250 61.426 1.00 0.00 H new ATOM 0 HA CYS A 3 37.966 29.054 61.314 1.00 0.00 H new ATOM 0 HB2 CYS A 3 40.369 30.502 62.141 1.00 0.00 H new ATOM 0 HB3 CYS A 3 38.674 30.795 62.475 1.00 0.00 H new ATOM 56 N TYR A 4 39.027 29.894 58.994 1.00 0.00 N ATOM 57 CA TYR A 4 39.478 29.750 57.589 1.00 0.00 C ATOM 58 C TYR A 4 40.448 30.853 57.067 1.00 0.00 C ATOM 59 O TYR A 4 40.390 32.017 57.446 1.00 0.00 O ATOM 60 CB TYR A 4 38.262 29.794 56.628 1.00 0.00 C ATOM 61 CG TYR A 4 37.007 29.130 57.170 1.00 0.00 C ATOM 62 CD1 TYR A 4 37.017 27.990 57.977 1.00 0.00 C ATOM 63 CD2 TYR A 4 35.779 29.748 56.943 1.00 0.00 C ATOM 64 CE1 TYR A 4 35.875 27.545 58.622 1.00 0.00 C ATOM 65 CE2 TYR A 4 34.629 29.312 57.570 1.00 0.00 C ATOM 66 CZ TYR A 4 34.672 28.232 58.455 1.00 0.00 C ATOM 67 OH TYR A 4 33.565 27.893 59.197 1.00 0.00 O ATOM 0 H TYR A 4 38.217 30.495 59.146 1.00 0.00 H new ATOM 0 HA TYR A 4 40.010 28.799 57.597 1.00 0.00 H new ATOM 0 HB2 TYR A 4 38.036 30.835 56.396 1.00 0.00 H new ATOM 0 HB3 TYR A 4 38.538 29.311 55.691 1.00 0.00 H new ATOM 0 HD1 TYR A 4 37.939 27.441 58.101 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.726 30.585 56.263 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.915 26.669 59.252 1.00 0.00 H new ATOM 0 HE2 TYR A 4 33.690 29.809 57.375 1.00 0.00 H new ATOM 0 HH TYR A 4 33.331 28.635 59.793 1.00 0.00 H new ATOM 77 N ASN A 5 41.311 30.446 56.062 1.00 0.00 N ATOM 78 CA ASN A 5 42.209 31.406 55.404 1.00 0.00 C ATOM 79 C ASN A 5 41.939 31.192 53.895 1.00 0.00 C ATOM 80 O ASN A 5 42.841 30.884 53.126 1.00 0.00 O ATOM 81 CB ASN A 5 43.674 31.214 55.813 1.00 0.00 C ATOM 82 CG ASN A 5 44.621 32.153 55.074 1.00 0.00 C ATOM 83 OD1 ASN A 5 44.287 33.222 54.594 1.00 0.00 O ATOM 84 ND2 ASN A 5 45.894 31.699 55.001 1.00 0.00 N ATOM 0 H ASN A 5 41.384 29.488 55.719 1.00 0.00 H new ATOM 0 HA ASN A 5 42.017 32.438 55.697 1.00 0.00 H new ATOM 0 HB2 ASN A 5 43.771 31.378 56.886 1.00 0.00 H new ATOM 0 HB3 ASN A 5 43.968 30.182 55.620 1.00 0.00 H new ATOM 0 HD21 ASN A 5 46.608 32.257 54.533 1.00 0.00 H new ATOM 0 HD22 ASN A 5 46.139 30.799 55.414 1.00 0.00 H new ATOM 91 N HIS A 6 40.616 31.367 53.526 1.00 0.00 N ATOM 92 CA HIS A 6 40.031 31.324 52.178 1.00 0.00 C ATOM 93 C HIS A 6 39.837 32.774 51.596 1.00 0.00 C ATOM 94 O HIS A 6 40.330 33.738 52.173 1.00 0.00 O ATOM 95 CB HIS A 6 40.615 30.229 51.202 1.00 0.00 C ATOM 96 CG HIS A 6 41.868 30.605 50.475 1.00 0.00 C ATOM 97 ND1 HIS A 6 42.887 29.679 50.175 1.00 0.00 N ATOM 98 CD2 HIS A 6 42.368 31.791 50.015 1.00 0.00 C ATOM 99 CE1 HIS A 6 43.949 30.263 49.627 1.00 0.00 C ATOM 100 NE2 HIS A 6 43.634 31.560 49.505 1.00 0.00 N ATOM 0 H HIS A 6 39.903 31.553 54.231 1.00 0.00 H new ATOM 0 HA HIS A 6 39.024 30.923 52.289 1.00 0.00 H new ATOM 0 HB2 HIS A 6 40.809 29.324 51.777 1.00 0.00 H new ATOM 0 HB3 HIS A 6 39.851 29.981 50.465 1.00 0.00 H new ATOM 0 HD2 HIS A 6 41.862 32.745 50.044 1.00 0.00 H new ATOM 0 HE1 HIS A 6 44.876 29.789 49.339 1.00 0.00 H new ATOM 0 HE2 HIS A 6 44.239 32.273 49.096 1.00 0.00 H new ATOM 109 N LEU A 7 39.023 32.919 50.485 1.00 0.00 N ATOM 110 CA LEU A 7 38.583 34.210 49.953 1.00 0.00 C ATOM 111 C LEU A 7 39.652 35.018 49.132 1.00 0.00 C ATOM 112 O LEU A 7 40.723 34.516 48.802 1.00 0.00 O ATOM 113 CB LEU A 7 37.750 35.023 50.980 1.00 0.00 C ATOM 114 CG LEU A 7 36.360 34.387 51.258 1.00 0.00 C ATOM 115 CD1 LEU A 7 36.337 33.508 52.521 1.00 0.00 C ATOM 116 CD2 LEU A 7 35.259 35.455 51.360 1.00 0.00 C ATOM 0 H LEU A 7 38.669 32.123 49.954 1.00 0.00 H new ATOM 0 HA LEU A 7 37.880 33.963 49.158 1.00 0.00 H new ATOM 0 HB2 LEU A 7 38.305 35.097 51.915 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.613 36.039 50.609 1.00 0.00 H new ATOM 0 HG LEU A 7 36.162 33.742 50.402 1.00 0.00 H new ATOM 0 HD11 LEU A 7 35.338 33.094 52.658 1.00 0.00 H new ATOM 0 HD12 LEU A 7 37.055 32.695 52.412 1.00 0.00 H new ATOM 0 HD13 LEU A 7 36.602 34.111 53.389 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.301 34.973 51.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 35.492 36.141 52.174 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.202 36.009 50.423 1.00 0.00 H new ATOM 128 N GLY A 8 39.222 36.249 48.651 1.00 0.00 N ATOM 129 CA GLY A 8 40.015 37.049 47.710 1.00 0.00 C ATOM 130 C GLY A 8 39.688 36.708 46.237 1.00 0.00 C ATOM 131 O GLY A 8 39.513 37.603 45.415 1.00 0.00 O ATOM 0 H GLY A 8 38.335 36.678 48.915 1.00 0.00 H new ATOM 0 HA2 GLY A 8 39.827 38.108 47.887 1.00 0.00 H new ATOM 0 HA3 GLY A 8 41.076 36.879 47.894 1.00 0.00 H new ATOM 135 N THR A 9 39.707 35.368 45.901 1.00 0.00 N ATOM 136 CA THR A 9 39.521 34.856 44.541 1.00 0.00 C ATOM 137 C THR A 9 39.280 33.321 44.666 1.00 0.00 C ATOM 138 O THR A 9 38.462 32.766 43.935 1.00 0.00 O ATOM 139 CB THR A 9 40.722 35.068 43.560 1.00 0.00 C ATOM 140 OG1 THR A 9 41.012 36.452 43.335 1.00 0.00 O ATOM 141 CG2 THR A 9 40.556 34.503 42.138 1.00 0.00 C ATOM 0 H THR A 9 39.855 34.631 46.590 1.00 0.00 H new ATOM 0 HA THR A 9 38.691 35.417 44.112 1.00 0.00 H new ATOM 0 HB THR A 9 41.506 34.527 44.090 1.00 0.00 H new ATOM 0 HG1 THR A 9 40.448 37.003 43.917 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.453 34.713 41.556 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.402 33.425 42.190 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.695 34.970 41.659 1.00 0.00 H new ATOM 149 N LYS A 10 40.011 32.631 45.624 1.00 0.00 N ATOM 150 CA LYS A 10 39.915 31.165 45.837 1.00 0.00 C ATOM 151 C LYS A 10 39.279 30.907 47.259 1.00 0.00 C ATOM 152 O LYS A 10 39.950 31.113 48.263 1.00 0.00 O ATOM 153 CB LYS A 10 41.284 30.445 45.726 1.00 0.00 C ATOM 154 CG LYS A 10 41.758 30.373 44.255 1.00 0.00 C ATOM 155 CD LYS A 10 43.037 29.553 44.000 1.00 0.00 C ATOM 156 CE LYS A 10 43.452 29.622 42.523 1.00 0.00 C ATOM 157 NZ LYS A 10 44.785 28.908 42.265 1.00 0.00 N ATOM 0 H LYS A 10 40.670 33.089 46.253 1.00 0.00 H new ATOM 0 HA LYS A 10 39.288 30.751 45.048 1.00 0.00 H new ATOM 0 HB2 LYS A 10 42.026 30.973 46.325 1.00 0.00 H new ATOM 0 HB3 LYS A 10 41.203 29.438 46.135 1.00 0.00 H new ATOM 0 HG2 LYS A 10 40.953 29.950 43.654 1.00 0.00 H new ATOM 0 HG3 LYS A 10 41.923 31.389 43.897 1.00 0.00 H new ATOM 0 HD2 LYS A 10 43.846 29.930 44.626 1.00 0.00 H new ATOM 0 HD3 LYS A 10 42.870 28.515 44.286 1.00 0.00 H new ATOM 0 HE2 LYS A 10 42.674 29.171 41.907 1.00 0.00 H new ATOM 0 HE3 LYS A 10 43.535 30.665 42.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 45.027 28.979 41.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.533 29.354 42.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 44.699 27.906 42.531 1.00 0.00 H new ATOM 171 N PRO A 11 38.004 30.342 47.358 1.00 0.00 N ATOM 172 CA PRO A 11 37.370 30.065 48.675 1.00 0.00 C ATOM 173 C PRO A 11 37.646 28.685 49.422 1.00 0.00 C ATOM 174 O PRO A 11 37.242 28.624 50.584 1.00 0.00 O ATOM 175 CB PRO A 11 35.846 30.176 48.436 1.00 0.00 C ATOM 176 CG PRO A 11 35.733 31.037 47.173 1.00 0.00 C ATOM 177 CD PRO A 11 36.942 30.570 46.367 1.00 0.00 C ATOM 0 HA PRO A 11 37.828 30.786 49.352 1.00 0.00 H new ATOM 0 HB2 PRO A 11 35.391 29.196 48.293 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.342 30.641 49.283 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.797 30.864 46.643 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.779 32.102 47.399 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.718 29.658 45.814 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.241 31.321 45.636 1.00 0.00 H new ATOM 185 N PRO A 12 38.416 27.646 48.891 1.00 0.00 N ATOM 186 CA PRO A 12 38.494 26.334 49.567 1.00 0.00 C ATOM 187 C PRO A 12 39.332 26.001 50.845 1.00 0.00 C ATOM 188 O PRO A 12 38.966 24.990 51.452 1.00 0.00 O ATOM 189 CB PRO A 12 39.106 25.419 48.482 1.00 0.00 C ATOM 190 CG PRO A 12 38.477 25.944 47.194 1.00 0.00 C ATOM 191 CD PRO A 12 38.504 27.450 47.442 1.00 0.00 C ATOM 0 HA PRO A 12 37.482 26.239 49.961 1.00 0.00 H new ATOM 0 HB2 PRO A 12 40.193 25.492 48.459 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.861 24.371 48.653 1.00 0.00 H new ATOM 0 HG2 PRO A 12 39.051 25.662 46.311 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.464 25.569 47.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 39.420 27.890 47.048 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.672 27.939 46.935 1.00 0.00 H new ATOM 199 N THR A 13 40.438 26.723 51.290 1.00 0.00 N ATOM 200 CA THR A 13 41.210 26.194 52.438 1.00 0.00 C ATOM 201 C THR A 13 40.769 26.725 53.834 1.00 0.00 C ATOM 202 O THR A 13 40.519 27.903 54.089 1.00 0.00 O ATOM 203 CB THR A 13 42.741 26.402 52.365 1.00 0.00 C ATOM 204 OG1 THR A 13 43.168 27.763 52.388 1.00 0.00 O ATOM 205 CG2 THR A 13 43.367 25.738 51.130 1.00 0.00 C ATOM 0 H THR A 13 40.774 27.600 50.892 1.00 0.00 H new ATOM 0 HA THR A 13 40.974 25.134 52.344 1.00 0.00 H new ATOM 0 HB THR A 13 43.090 25.924 53.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 42.961 28.185 51.528 1.00 0.00 H new ATOM 0 HG21 THR A 13 44.443 25.915 51.128 1.00 0.00 H new ATOM 0 HG22 THR A 13 43.176 24.665 51.157 1.00 0.00 H new ATOM 0 HG23 THR A 13 42.928 26.162 50.227 1.00 0.00 H new ATOM 213 N THR A 14 40.833 25.746 54.803 1.00 0.00 N ATOM 214 CA THR A 14 40.427 25.938 56.190 1.00 0.00 C ATOM 215 C THR A 14 41.584 25.471 57.122 1.00 0.00 C ATOM 216 O THR A 14 42.307 24.514 56.843 1.00 0.00 O ATOM 217 CB THR A 14 39.119 25.208 56.497 1.00 0.00 C ATOM 218 OG1 THR A 14 39.294 23.792 56.387 1.00 0.00 O ATOM 219 CG2 THR A 14 37.994 25.707 55.563 1.00 0.00 C ATOM 0 H THR A 14 41.175 24.804 54.611 1.00 0.00 H new ATOM 0 HA THR A 14 40.234 26.996 56.367 1.00 0.00 H new ATOM 0 HB THR A 14 38.828 25.428 57.524 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.448 23.341 56.588 1.00 0.00 H new ATOM 0 HG21 THR A 14 37.069 25.178 55.793 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.847 26.777 55.710 1.00 0.00 H new ATOM 0 HG23 THR A 14 38.271 25.518 54.526 1.00 0.00 H new ATOM 227 N GLU A 15 41.756 26.212 58.278 1.00 0.00 N ATOM 228 CA GLU A 15 42.977 26.042 59.097 1.00 0.00 C ATOM 229 C GLU A 15 42.542 25.394 60.439 1.00 0.00 C ATOM 230 O GLU A 15 42.043 26.045 61.355 1.00 0.00 O ATOM 231 CB GLU A 15 43.810 27.330 59.302 1.00 0.00 C ATOM 232 CG GLU A 15 43.998 28.155 58.011 1.00 0.00 C ATOM 233 CD GLU A 15 45.148 29.140 58.098 1.00 0.00 C ATOM 234 OE1 GLU A 15 46.197 29.063 57.474 1.00 0.00 O ATOM 235 OE2 GLU A 15 44.881 30.153 58.917 1.00 0.00 O ATOM 0 H GLU A 15 41.088 26.896 58.634 1.00 0.00 H new ATOM 0 HA GLU A 15 43.668 25.396 58.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 43.323 27.952 60.053 1.00 0.00 H new ATOM 0 HB3 GLU A 15 44.789 27.060 59.697 1.00 0.00 H new ATOM 0 HG2 GLU A 15 44.170 27.477 57.175 1.00 0.00 H new ATOM 0 HG3 GLU A 15 43.078 28.698 57.796 1.00 0.00 H new ATOM 243 N THR A 16 42.747 24.021 60.531 1.00 0.00 N ATOM 244 CA THR A 16 42.554 23.315 61.805 1.00 0.00 C ATOM 245 C THR A 16 43.835 23.721 62.597 1.00 0.00 C ATOM 246 O THR A 16 44.909 23.143 62.426 1.00 0.00 O ATOM 247 CB THR A 16 42.421 21.770 61.710 1.00 0.00 C ATOM 248 OG1 THR A 16 41.285 21.349 60.950 1.00 0.00 O ATOM 249 CG2 THR A 16 42.252 21.128 63.095 1.00 0.00 C ATOM 0 H THR A 16 43.035 23.428 59.752 1.00 0.00 H new ATOM 0 HA THR A 16 41.606 23.592 62.265 1.00 0.00 H new ATOM 0 HB THR A 16 43.343 21.452 61.224 1.00 0.00 H new ATOM 0 HG1 THR A 16 41.254 20.370 60.923 1.00 0.00 H new ATOM 0 HG21 THR A 16 42.162 20.047 62.987 1.00 0.00 H new ATOM 0 HG22 THR A 16 43.120 21.360 63.712 1.00 0.00 H new ATOM 0 HG23 THR A 16 41.353 21.521 63.571 1.00 0.00 H new ATOM 257 N CYS A 17 43.695 24.732 63.531 1.00 0.00 N ATOM 258 CA CYS A 17 44.855 25.306 64.230 1.00 0.00 C ATOM 259 C CYS A 17 44.774 25.005 65.753 1.00 0.00 C ATOM 260 O CYS A 17 43.715 24.841 66.358 1.00 0.00 O ATOM 261 CB CYS A 17 44.916 26.808 64.003 1.00 0.00 C ATOM 262 SG CYS A 17 46.410 27.635 64.615 1.00 0.00 S ATOM 0 H CYS A 17 42.799 25.142 63.796 1.00 0.00 H new ATOM 0 HA CYS A 17 45.760 24.849 63.829 1.00 0.00 H new ATOM 0 HB2 CYS A 17 44.829 26.999 62.933 1.00 0.00 H new ATOM 0 HB3 CYS A 17 44.049 27.265 64.480 1.00 0.00 H new ATOM 267 N GLN A 18 46.008 24.989 66.356 1.00 0.00 N ATOM 268 CA GLN A 18 46.257 24.563 67.734 1.00 0.00 C ATOM 269 C GLN A 18 46.379 25.783 68.698 1.00 0.00 C ATOM 270 O GLN A 18 46.378 25.575 69.912 1.00 0.00 O ATOM 271 CB GLN A 18 47.512 23.668 67.812 1.00 0.00 C ATOM 272 CG GLN A 18 47.457 22.310 67.063 1.00 0.00 C ATOM 273 CD GLN A 18 47.198 22.489 65.563 1.00 0.00 C ATOM 274 OE1 GLN A 18 47.961 23.091 64.828 1.00 0.00 O ATOM 275 NE2 GLN A 18 46.052 21.930 65.109 1.00 0.00 N ATOM 0 H GLN A 18 46.856 25.281 65.871 1.00 0.00 H new ATOM 0 HA GLN A 18 45.398 23.976 68.059 1.00 0.00 H new ATOM 0 HB2 GLN A 18 48.357 24.235 67.423 1.00 0.00 H new ATOM 0 HB3 GLN A 18 47.720 23.467 68.863 1.00 0.00 H new ATOM 0 HG2 GLN A 18 48.398 21.779 67.207 1.00 0.00 H new ATOM 0 HG3 GLN A 18 46.671 21.690 67.495 1.00 0.00 H new ATOM 0 HE21 GLN A 18 45.437 21.433 65.753 1.00 0.00 H new ATOM 0 HE22 GLN A 18 45.804 22.006 64.123 1.00 0.00 H new ATOM 284 N GLU A 19 46.507 27.075 68.189 1.00 0.00 N ATOM 285 CA GLU A 19 46.426 28.238 69.077 1.00 0.00 C ATOM 286 C GLU A 19 44.907 28.259 69.477 1.00 0.00 C ATOM 287 O GLU A 19 44.030 28.510 68.654 1.00 0.00 O ATOM 288 CB GLU A 19 46.881 29.551 68.408 1.00 0.00 C ATOM 289 CG GLU A 19 48.403 29.624 68.152 1.00 0.00 C ATOM 290 CD GLU A 19 49.147 29.592 69.483 1.00 0.00 C ATOM 291 OE1 GLU A 19 49.225 30.518 70.269 1.00 0.00 O ATOM 292 OE2 GLU A 19 49.712 28.406 69.706 1.00 0.00 O ATOM 0 H GLU A 19 46.660 27.296 67.205 1.00 0.00 H new ATOM 0 HA GLU A 19 47.098 28.161 69.932 1.00 0.00 H new ATOM 0 HB2 GLU A 19 46.356 29.666 67.460 1.00 0.00 H new ATOM 0 HB3 GLU A 19 46.587 30.390 69.038 1.00 0.00 H new ATOM 0 HG2 GLU A 19 48.718 28.788 67.528 1.00 0.00 H new ATOM 0 HG3 GLU A 19 48.647 30.537 67.609 1.00 0.00 H new ATOM 300 N ASP A 20 44.640 27.989 70.813 1.00 0.00 N ATOM 301 CA ASP A 20 43.371 27.724 71.493 1.00 0.00 C ATOM 302 C ASP A 20 42.267 28.844 71.412 1.00 0.00 C ATOM 303 O ASP A 20 41.275 28.755 72.142 1.00 0.00 O ATOM 304 CB ASP A 20 42.785 26.315 71.277 1.00 0.00 C ATOM 305 CG ASP A 20 42.001 26.051 69.970 1.00 0.00 C ATOM 306 OD1 ASP A 20 41.575 27.019 69.338 1.00 0.00 O ATOM 307 OD2 ASP A 20 41.814 24.857 69.704 1.00 0.00 O ATOM 0 H ASP A 20 45.411 27.956 71.480 1.00 0.00 H new ATOM 0 HA ASP A 20 43.709 27.759 72.529 1.00 0.00 H new ATOM 0 HB2 ASP A 20 43.606 25.600 71.325 1.00 0.00 H new ATOM 0 HB3 ASP A 20 42.123 26.096 72.115 1.00 0.00 H new ATOM 312 N SER A 21 42.446 29.930 70.584 1.00 0.00 N ATOM 313 CA SER A 21 41.416 30.922 70.312 1.00 0.00 C ATOM 314 C SER A 21 41.751 31.508 68.909 1.00 0.00 C ATOM 315 O SER A 21 42.908 31.568 68.480 1.00 0.00 O ATOM 316 CB SER A 21 41.290 32.061 71.335 1.00 0.00 C ATOM 317 OG SER A 21 42.435 32.889 71.478 1.00 0.00 O ATOM 0 H SER A 21 43.324 30.116 70.099 1.00 0.00 H new ATOM 0 HA SER A 21 40.450 30.421 70.368 1.00 0.00 H new ATOM 0 HB2 SER A 21 40.444 32.687 71.052 1.00 0.00 H new ATOM 0 HB3 SER A 21 41.054 31.628 72.307 1.00 0.00 H new ATOM 0 HG SER A 21 43.096 32.438 72.044 1.00 0.00 H new ATOM 323 N CYS A 22 40.675 31.939 68.160 1.00 0.00 N ATOM 324 CA CYS A 22 40.926 32.391 66.803 1.00 0.00 C ATOM 325 C CYS A 22 40.064 33.603 66.394 1.00 0.00 C ATOM 326 O CYS A 22 39.086 33.953 67.050 1.00 0.00 O ATOM 327 CB CYS A 22 40.803 31.209 65.812 1.00 0.00 C ATOM 328 SG CYS A 22 39.095 30.802 65.372 1.00 0.00 S ATOM 0 H CYS A 22 39.705 31.971 68.472 1.00 0.00 H new ATOM 0 HA CYS A 22 41.952 32.757 66.766 1.00 0.00 H new ATOM 0 HB2 CYS A 22 41.355 31.449 64.904 1.00 0.00 H new ATOM 0 HB3 CYS A 22 41.276 30.329 66.249 1.00 0.00 H new ATOM 333 N TYR A 23 40.513 34.268 65.270 1.00 0.00 N ATOM 334 CA TYR A 23 40.042 35.626 64.995 1.00 0.00 C ATOM 335 C TYR A 23 39.519 35.860 63.548 1.00 0.00 C ATOM 336 O TYR A 23 39.967 35.274 62.565 1.00 0.00 O ATOM 337 CB TYR A 23 41.196 36.636 65.314 1.00 0.00 C ATOM 338 CG TYR A 23 42.403 36.439 64.420 1.00 0.00 C ATOM 339 CD1 TYR A 23 42.461 37.019 63.156 1.00 0.00 C ATOM 340 CD2 TYR A 23 43.486 35.654 64.813 1.00 0.00 C ATOM 341 CE1 TYR A 23 43.534 36.824 62.299 1.00 0.00 C ATOM 342 CE2 TYR A 23 44.573 35.451 63.978 1.00 0.00 C ATOM 343 CZ TYR A 23 44.606 36.020 62.691 1.00 0.00 C ATOM 344 OH TYR A 23 45.667 35.746 61.882 1.00 0.00 O ATOM 0 H TYR A 23 41.168 33.886 64.587 1.00 0.00 H new ATOM 0 HA TYR A 23 39.177 35.785 65.639 1.00 0.00 H new ATOM 0 HB2 TYR A 23 40.825 37.655 65.199 1.00 0.00 H new ATOM 0 HB3 TYR A 23 41.497 36.522 66.355 1.00 0.00 H new ATOM 0 HD1 TYR A 23 41.642 37.643 62.831 1.00 0.00 H new ATOM 0 HD2 TYR A 23 43.478 35.194 65.790 1.00 0.00 H new ATOM 0 HE1 TYR A 23 43.540 37.295 61.327 1.00 0.00 H new ATOM 0 HE2 TYR A 23 45.403 34.850 64.318 1.00 0.00 H new ATOM 0 HH TYR A 23 46.299 35.167 62.357 1.00 0.00 H new ATOM 354 N LYS A 24 38.531 36.827 63.483 1.00 0.00 N ATOM 355 CA LYS A 24 37.809 37.253 62.275 1.00 0.00 C ATOM 356 C LYS A 24 38.370 38.689 61.937 1.00 0.00 C ATOM 357 O LYS A 24 38.183 39.683 62.634 1.00 0.00 O ATOM 358 CB LYS A 24 36.269 37.172 62.467 1.00 0.00 C ATOM 359 CG LYS A 24 35.798 35.692 62.409 1.00 0.00 C ATOM 360 CD LYS A 24 34.368 35.294 62.857 1.00 0.00 C ATOM 361 CE LYS A 24 33.206 35.441 61.840 1.00 0.00 C ATOM 362 NZ LYS A 24 32.384 34.138 61.765 1.00 0.00 N ATOM 0 H LYS A 24 38.224 37.333 64.314 1.00 0.00 H new ATOM 0 HA LYS A 24 37.977 36.592 61.425 1.00 0.00 H new ATOM 0 HB2 LYS A 24 35.991 37.612 63.424 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.768 37.751 61.692 1.00 0.00 H new ATOM 0 HG2 LYS A 24 35.914 35.360 61.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 36.496 35.110 63.012 1.00 0.00 H new ATOM 0 HD2 LYS A 24 34.399 34.252 63.177 1.00 0.00 H new ATOM 0 HD3 LYS A 24 34.118 35.890 63.735 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.560 36.269 62.134 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.606 35.683 60.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.526 34.301 61.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.956 33.392 61.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.115 33.842 62.725 1.00 0.00 H new ATOM 376 N ASN A 25 39.095 38.747 60.759 1.00 0.00 N ATOM 377 CA ASN A 25 39.864 39.888 60.208 1.00 0.00 C ATOM 378 C ASN A 25 39.135 40.278 58.854 1.00 0.00 C ATOM 379 O ASN A 25 38.929 39.435 57.982 1.00 0.00 O ATOM 380 CB ASN A 25 41.283 39.391 59.975 1.00 0.00 C ATOM 381 CG ASN A 25 42.210 40.425 59.388 1.00 0.00 C ATOM 382 OD1 ASN A 25 43.063 41.008 60.028 1.00 0.00 O ATOM 383 ND2 ASN A 25 42.025 40.647 58.075 1.00 0.00 N ATOM 0 H ASN A 25 39.148 37.935 60.144 1.00 0.00 H new ATOM 0 HA ASN A 25 39.911 40.761 60.859 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.695 39.045 60.923 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.250 38.529 59.309 1.00 0.00 H new ATOM 0 HD21 ASN A 25 42.611 41.323 57.585 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.299 40.139 57.569 1.00 0.00 H new ATOM 390 N ILE A 26 38.796 41.630 58.682 1.00 0.00 N ATOM 391 CA ILE A 26 37.621 42.000 57.835 1.00 0.00 C ATOM 392 C ILE A 26 37.796 43.244 56.877 1.00 0.00 C ATOM 393 O ILE A 26 36.839 43.777 56.319 1.00 0.00 O ATOM 394 CB ILE A 26 36.440 42.249 58.810 1.00 0.00 C ATOM 395 CG1 ILE A 26 36.399 43.620 59.549 1.00 0.00 C ATOM 396 CG2 ILE A 26 36.321 41.119 59.859 1.00 0.00 C ATOM 397 CD1 ILE A 26 37.611 44.022 60.407 1.00 0.00 C ATOM 0 H ILE A 26 39.297 42.415 59.098 1.00 0.00 H new ATOM 0 HA ILE A 26 37.461 41.175 57.141 1.00 0.00 H new ATOM 0 HB ILE A 26 35.588 42.264 58.131 1.00 0.00 H new ATOM 0 HG12 ILE A 26 36.250 44.397 58.800 1.00 0.00 H new ATOM 0 HG13 ILE A 26 35.520 43.625 60.193 1.00 0.00 H new ATOM 0 HG21 ILE A 26 35.483 41.327 60.525 1.00 0.00 H new ATOM 0 HG22 ILE A 26 36.154 40.168 59.352 1.00 0.00 H new ATOM 0 HG23 ILE A 26 37.241 41.064 60.440 1.00 0.00 H new ATOM 0 HD11 ILE A 26 37.432 44.999 60.855 1.00 0.00 H new ATOM 0 HD12 ILE A 26 37.760 43.284 61.195 1.00 0.00 H new ATOM 0 HD13 ILE A 26 38.501 44.068 59.780 1.00 0.00 H new ATOM 409 N TRP A 27 39.087 43.650 56.671 1.00 0.00 N ATOM 410 CA TRP A 27 39.638 44.846 55.998 1.00 0.00 C ATOM 411 C TRP A 27 40.530 44.293 54.816 1.00 0.00 C ATOM 412 O TRP A 27 40.061 44.040 53.709 1.00 0.00 O ATOM 413 CB TRP A 27 40.429 45.803 56.992 1.00 0.00 C ATOM 414 CG TRP A 27 40.889 45.133 58.265 1.00 0.00 C ATOM 415 CD1 TRP A 27 41.250 43.766 58.364 1.00 0.00 C ATOM 416 CD2 TRP A 27 40.923 45.576 59.588 1.00 0.00 C ATOM 417 NE1 TRP A 27 41.347 43.328 59.648 1.00 0.00 N ATOM 418 CE2 TRP A 27 41.187 44.474 60.408 1.00 0.00 C ATOM 419 CE3 TRP A 27 40.669 46.818 60.226 1.00 0.00 C ATOM 420 CZ2 TRP A 27 41.211 44.492 61.763 1.00 0.00 C ATOM 421 CZ3 TRP A 27 40.696 46.880 61.612 1.00 0.00 C ATOM 422 CH2 TRP A 27 40.967 45.726 62.379 1.00 0.00 C ATOM 0 H TRP A 27 39.849 43.068 57.019 1.00 0.00 H new ATOM 0 HA TRP A 27 38.844 45.487 55.615 1.00 0.00 H new ATOM 0 HB2 TRP A 27 41.298 46.208 56.474 1.00 0.00 H new ATOM 0 HB3 TRP A 27 39.790 46.648 57.250 1.00 0.00 H new ATOM 0 HD1 TRP A 27 41.430 43.135 57.506 1.00 0.00 H new ATOM 0 HE1 TRP A 27 41.502 42.375 59.976 1.00 0.00 H new ATOM 0 HE3 TRP A 27 40.458 47.701 59.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 41.408 43.600 62.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 40.508 47.820 62.109 1.00 0.00 H new ATOM 0 HH2 TRP A 27 40.986 45.796 63.457 1.00 0.00 H new ATOM 433 N THR A 28 41.873 44.108 55.111 1.00 0.00 N ATOM 434 CA THR A 28 42.886 43.516 54.236 1.00 0.00 C ATOM 435 C THR A 28 43.353 44.605 53.187 1.00 0.00 C ATOM 436 O THR A 28 44.318 45.324 53.430 1.00 0.00 O ATOM 437 CB THR A 28 42.609 42.150 53.566 1.00 0.00 C ATOM 438 OG1 THR A 28 43.766 41.642 52.897 1.00 0.00 O ATOM 439 CG2 THR A 28 42.027 41.069 54.487 1.00 0.00 C ATOM 0 H THR A 28 42.262 44.390 56.011 1.00 0.00 H new ATOM 0 HA THR A 28 43.681 43.227 54.924 1.00 0.00 H new ATOM 0 HB THR A 28 41.828 42.376 52.841 1.00 0.00 H new ATOM 0 HG1 THR A 28 43.868 42.092 52.032 1.00 0.00 H new ATOM 0 HG21 THR A 28 41.871 40.152 53.919 1.00 0.00 H new ATOM 0 HG22 THR A 28 42.721 40.875 55.305 1.00 0.00 H new ATOM 0 HG23 THR A 28 41.075 41.411 54.893 1.00 0.00 H new ATOM 447 N PHE A 29 42.672 44.677 51.979 1.00 0.00 N ATOM 448 CA PHE A 29 43.043 45.588 50.900 1.00 0.00 C ATOM 449 C PHE A 29 41.906 45.474 49.836 1.00 0.00 C ATOM 450 O PHE A 29 41.276 46.453 49.452 1.00 0.00 O ATOM 451 CB PHE A 29 44.393 45.318 50.207 1.00 0.00 C ATOM 452 CG PHE A 29 44.728 46.356 49.149 1.00 0.00 C ATOM 453 CD1 PHE A 29 44.934 47.696 49.494 1.00 0.00 C ATOM 454 CD2 PHE A 29 44.897 45.994 47.808 1.00 0.00 C ATOM 455 CE1 PHE A 29 45.292 48.648 48.539 1.00 0.00 C ATOM 456 CE2 PHE A 29 45.263 46.932 46.841 1.00 0.00 C ATOM 457 CZ PHE A 29 45.465 48.269 47.203 1.00 0.00 C ATOM 0 H PHE A 29 41.862 44.096 51.762 1.00 0.00 H new ATOM 0 HA PHE A 29 43.164 46.576 51.344 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.184 45.301 50.956 1.00 0.00 H new ATOM 0 HB3 PHE A 29 44.369 44.330 49.746 1.00 0.00 H new ATOM 0 HD1 PHE A 29 44.813 48.001 50.523 1.00 0.00 H new ATOM 0 HD2 PHE A 29 44.741 44.966 47.515 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.436 49.678 48.831 1.00 0.00 H new ATOM 0 HE2 PHE A 29 45.390 46.626 45.813 1.00 0.00 H new ATOM 0 HZ PHE A 29 45.751 48.999 46.460 1.00 0.00 H new ATOM 467 N ASP A 30 41.674 44.186 49.398 1.00 0.00 N ATOM 468 CA ASP A 30 40.662 43.672 48.494 1.00 0.00 C ATOM 469 C ASP A 30 39.195 43.803 49.063 1.00 0.00 C ATOM 470 O ASP A 30 38.253 43.561 48.308 1.00 0.00 O ATOM 471 CB ASP A 30 41.037 42.212 48.149 1.00 0.00 C ATOM 472 CG ASP A 30 41.518 41.218 49.255 1.00 0.00 C ATOM 473 OD1 ASP A 30 41.835 41.675 50.357 1.00 0.00 O ATOM 474 OD2 ASP A 30 41.596 40.043 48.874 1.00 0.00 O ATOM 0 H ASP A 30 42.274 43.429 49.725 1.00 0.00 H new ATOM 0 HA ASP A 30 40.649 44.277 47.587 1.00 0.00 H new ATOM 0 HB2 ASP A 30 40.165 41.763 47.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 41.823 42.255 47.395 1.00 0.00 H new ATOM 479 N ASN A 31 38.968 44.217 50.373 1.00 0.00 N ATOM 480 CA ASN A 31 37.670 44.435 51.025 1.00 0.00 C ATOM 481 C ASN A 31 37.076 43.017 51.272 1.00 0.00 C ATOM 482 O ASN A 31 36.104 42.627 50.625 1.00 0.00 O ATOM 483 CB ASN A 31 36.712 45.428 50.352 1.00 0.00 C ATOM 484 CG ASN A 31 35.803 46.051 51.403 1.00 0.00 C ATOM 485 OD1 ASN A 31 36.027 47.130 51.919 1.00 0.00 O ATOM 486 ND2 ASN A 31 34.730 45.304 51.747 1.00 0.00 N ATOM 0 H ASN A 31 39.745 44.408 51.006 1.00 0.00 H new ATOM 0 HA ASN A 31 37.828 44.969 51.962 1.00 0.00 H new ATOM 0 HB2 ASN A 31 37.279 46.205 49.839 1.00 0.00 H new ATOM 0 HB3 ASN A 31 36.115 44.918 49.596 1.00 0.00 H new ATOM 0 HD21 ASN A 31 34.081 45.641 52.458 1.00 0.00 H new ATOM 0 HD22 ASN A 31 34.570 44.403 51.296 1.00 0.00 H new ATOM 493 N ILE A 32 37.645 42.266 52.301 1.00 0.00 N ATOM 494 CA ILE A 32 37.264 40.856 52.404 1.00 0.00 C ATOM 495 C ILE A 32 37.465 40.232 53.832 1.00 0.00 C ATOM 496 O ILE A 32 38.240 40.738 54.642 1.00 0.00 O ATOM 497 CB ILE A 32 38.074 40.002 51.375 1.00 0.00 C ATOM 498 CG1 ILE A 32 37.316 38.816 50.747 1.00 0.00 C ATOM 499 CG2 ILE A 32 39.431 39.551 51.960 1.00 0.00 C ATOM 500 CD1 ILE A 32 36.075 39.227 49.939 1.00 0.00 C ATOM 0 H ILE A 32 38.308 42.607 52.997 1.00 0.00 H new ATOM 0 HA ILE A 32 36.195 40.833 52.191 1.00 0.00 H new ATOM 0 HB ILE A 32 38.248 40.684 50.542 1.00 0.00 H new ATOM 0 HG12 ILE A 32 37.996 38.267 50.096 1.00 0.00 H new ATOM 0 HG13 ILE A 32 37.011 38.132 51.539 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.968 38.960 51.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 40.023 40.427 52.223 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.260 38.947 52.851 1.00 0.00 H new ATOM 0 HD11 ILE A 32 35.597 38.337 49.529 1.00 0.00 H new ATOM 0 HD12 ILE A 32 35.374 39.749 50.590 1.00 0.00 H new ATOM 0 HD13 ILE A 32 36.373 39.886 49.124 1.00 0.00 H new ATOM 512 N ILE A 33 36.750 39.069 54.107 1.00 0.00 N ATOM 513 CA ILE A 33 36.937 38.324 55.377 1.00 0.00 C ATOM 514 C ILE A 33 37.963 37.189 55.027 1.00 0.00 C ATOM 515 O ILE A 33 37.641 36.165 54.430 1.00 0.00 O ATOM 516 CB ILE A 33 35.679 37.777 56.074 1.00 0.00 C ATOM 517 CG1 ILE A 33 34.718 38.923 56.482 1.00 0.00 C ATOM 518 CG2 ILE A 33 36.017 36.893 57.297 1.00 0.00 C ATOM 519 CD1 ILE A 33 33.328 38.477 56.969 1.00 0.00 C ATOM 0 H ILE A 33 36.065 38.657 53.473 1.00 0.00 H new ATOM 0 HA ILE A 33 37.288 39.023 56.136 1.00 0.00 H new ATOM 0 HB ILE A 33 35.174 37.143 55.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 35.191 39.507 57.272 1.00 0.00 H new ATOM 0 HG13 ILE A 33 34.589 39.588 55.628 1.00 0.00 H new ATOM 0 HG21 ILE A 33 35.094 36.533 57.752 1.00 0.00 H new ATOM 0 HG22 ILE A 33 36.619 36.043 56.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 36.576 37.479 58.026 1.00 0.00 H new ATOM 0 HD11 ILE A 33 32.735 39.354 57.229 1.00 0.00 H new ATOM 0 HD12 ILE A 33 32.826 37.921 56.177 1.00 0.00 H new ATOM 0 HD13 ILE A 33 33.437 37.840 57.846 1.00 0.00 H new ATOM 531 N ARG A 34 39.269 37.414 55.421 1.00 0.00 N ATOM 532 CA ARG A 34 40.378 36.478 55.149 1.00 0.00 C ATOM 533 C ARG A 34 41.190 36.544 56.470 1.00 0.00 C ATOM 534 O ARG A 34 41.714 37.583 56.874 1.00 0.00 O ATOM 535 CB ARG A 34 41.199 36.828 53.900 1.00 0.00 C ATOM 536 CG ARG A 34 42.377 35.891 53.562 1.00 0.00 C ATOM 537 CD ARG A 34 42.761 35.898 52.063 1.00 0.00 C ATOM 538 NE ARG A 34 43.168 37.124 51.350 1.00 0.00 N ATOM 539 CZ ARG A 34 43.417 38.332 51.817 1.00 0.00 C ATOM 540 NH1 ARG A 34 43.868 38.531 53.026 1.00 0.00 N ATOM 541 NH2 ARG A 34 43.245 39.351 51.026 1.00 0.00 N ATOM 0 H ARG A 34 39.558 38.249 55.931 1.00 0.00 H new ATOM 0 HA ARG A 34 40.037 35.473 54.902 1.00 0.00 H new ATOM 0 HB2 ARG A 34 40.524 36.849 53.044 1.00 0.00 H new ATOM 0 HB3 ARG A 34 41.591 37.838 54.022 1.00 0.00 H new ATOM 0 HG2 ARG A 34 43.245 36.184 54.153 1.00 0.00 H new ATOM 0 HG3 ARG A 34 42.119 34.874 53.858 1.00 0.00 H new ATOM 0 HD2 ARG A 34 43.578 35.186 51.948 1.00 0.00 H new ATOM 0 HD3 ARG A 34 41.906 35.493 51.521 1.00 0.00 H new ATOM 0 HE ARG A 34 43.273 37.021 50.341 1.00 0.00 H new ATOM 0 HH11 ARG A 34 44.039 37.737 53.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 44.049 39.480 53.353 1.00 0.00 H new ATOM 0 HH21 ARG A 34 42.924 39.205 50.069 1.00 0.00 H new ATOM 0 HH22 ARG A 34 43.431 40.296 51.363 1.00 0.00 H new ATOM 555 N ARG A 35 41.258 35.352 57.187 1.00 0.00 N ATOM 556 CA ARG A 35 41.514 35.424 58.619 1.00 0.00 C ATOM 557 C ARG A 35 42.310 34.216 59.201 1.00 0.00 C ATOM 558 O ARG A 35 42.913 33.456 58.445 1.00 0.00 O ATOM 559 CB ARG A 35 40.148 35.764 59.269 1.00 0.00 C ATOM 560 CG ARG A 35 38.947 34.764 59.209 1.00 0.00 C ATOM 561 CD ARG A 35 39.084 33.478 60.077 1.00 0.00 C ATOM 562 NE ARG A 35 37.934 33.031 60.913 1.00 0.00 N ATOM 563 CZ ARG A 35 36.763 32.563 60.508 1.00 0.00 C ATOM 564 NH1 ARG A 35 36.324 32.743 59.292 1.00 0.00 N ATOM 565 NH2 ARG A 35 36.013 31.893 61.346 1.00 0.00 N ATOM 0 H ARG A 35 41.144 34.416 56.799 1.00 0.00 H new ATOM 0 HA ARG A 35 42.225 36.212 58.867 1.00 0.00 H new ATOM 0 HB2 ARG A 35 40.340 35.967 60.323 1.00 0.00 H new ATOM 0 HB3 ARG A 35 39.807 36.697 58.821 1.00 0.00 H new ATOM 0 HG2 ARG A 35 38.045 35.292 59.518 1.00 0.00 H new ATOM 0 HG3 ARG A 35 38.802 34.464 58.171 1.00 0.00 H new ATOM 0 HD2 ARG A 35 39.339 32.657 59.407 1.00 0.00 H new ATOM 0 HD3 ARG A 35 39.935 33.622 60.743 1.00 0.00 H new ATOM 0 HE ARG A 35 38.065 33.093 61.923 1.00 0.00 H new ATOM 0 HH11 ARG A 35 36.888 33.259 58.617 1.00 0.00 H new ATOM 0 HH12 ARG A 35 35.417 32.367 59.017 1.00 0.00 H new ATOM 0 HH21 ARG A 35 36.332 31.735 62.302 1.00 0.00 H new ATOM 0 HH22 ARG A 35 35.110 31.529 61.043 1.00 0.00 H new ATOM 579 N GLY A 36 42.417 34.130 60.588 1.00 0.00 N ATOM 580 CA GLY A 36 43.298 33.055 61.074 1.00 0.00 C ATOM 581 C GLY A 36 43.238 32.719 62.580 1.00 0.00 C ATOM 582 O GLY A 36 42.261 33.030 63.251 1.00 0.00 O ATOM 0 H GLY A 36 41.960 34.719 61.284 1.00 0.00 H new ATOM 0 HA2 GLY A 36 43.064 32.148 60.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 44.325 33.324 60.829 1.00 0.00 H new ATOM 586 N CYS A 37 44.307 31.987 63.074 1.00 0.00 N ATOM 587 CA CYS A 37 44.396 31.530 64.475 1.00 0.00 C ATOM 588 C CYS A 37 45.515 32.300 65.250 1.00 0.00 C ATOM 589 O CYS A 37 46.667 32.405 64.834 1.00 0.00 O ATOM 590 CB CYS A 37 44.636 30.004 64.622 1.00 0.00 C ATOM 591 SG CYS A 37 46.051 29.415 63.639 1.00 0.00 S ATOM 0 H CYS A 37 45.107 31.713 62.503 1.00 0.00 H new ATOM 0 HA CYS A 37 43.420 31.749 64.907 1.00 0.00 H new ATOM 0 HB2 CYS A 37 44.805 29.767 65.672 1.00 0.00 H new ATOM 0 HB3 CYS A 37 43.738 29.468 64.315 1.00 0.00 H new ATOM 596 N GLY A 38 45.109 32.914 66.432 1.00 0.00 N ATOM 597 CA GLY A 38 46.099 33.599 67.250 1.00 0.00 C ATOM 598 C GLY A 38 45.358 33.894 68.567 1.00 0.00 C ATOM 599 O GLY A 38 45.382 33.119 69.518 1.00 0.00 O ATOM 0 H GLY A 38 44.154 32.930 66.790 1.00 0.00 H new ATOM 0 HA2 GLY A 38 46.978 32.976 67.418 1.00 0.00 H new ATOM 0 HA3 GLY A 38 46.445 34.516 66.773 1.00 0.00 H new ATOM 603 N CYS A 39 44.660 35.094 68.566 1.00 0.00 N ATOM 604 CA CYS A 39 43.819 35.580 69.661 1.00 0.00 C ATOM 605 C CYS A 39 44.666 36.129 70.846 1.00 0.00 C ATOM 606 O CYS A 39 44.428 37.220 71.360 1.00 0.00 O ATOM 607 CB CYS A 39 42.802 36.583 69.108 1.00 0.00 C ATOM 608 SG CYS A 39 41.837 37.402 70.413 1.00 0.00 S ATOM 0 H CYS A 39 44.688 35.738 67.775 1.00 0.00 H new ATOM 0 HA CYS A 39 43.259 34.748 70.089 1.00 0.00 H new ATOM 0 HB2 CYS A 39 43.326 37.338 68.522 1.00 0.00 H new ATOM 0 HB3 CYS A 39 42.122 36.067 68.430 1.00 0.00 H new ATOM 613 N PHE A 40 45.665 35.295 71.305 1.00 0.00 N ATOM 614 CA PHE A 40 46.514 35.604 72.448 1.00 0.00 C ATOM 615 C PHE A 40 47.554 36.674 71.924 1.00 0.00 C ATOM 616 O PHE A 40 48.731 36.381 71.737 1.00 0.00 O ATOM 617 CB PHE A 40 47.146 34.292 72.976 1.00 0.00 C ATOM 618 CG PHE A 40 46.178 33.109 73.103 1.00 0.00 C ATOM 619 CD1 PHE A 40 44.948 33.180 73.771 1.00 0.00 C ATOM 620 CD2 PHE A 40 46.504 31.888 72.497 1.00 0.00 C ATOM 621 CE1 PHE A 40 44.088 32.082 73.838 1.00 0.00 C ATOM 622 CE2 PHE A 40 45.658 30.785 72.554 1.00 0.00 C ATOM 623 CZ PHE A 40 44.448 30.869 73.249 1.00 0.00 C ATOM 0 H PHE A 40 45.879 34.397 70.872 1.00 0.00 H new ATOM 0 HA PHE A 40 45.982 36.025 73.301 1.00 0.00 H new ATOM 0 HB2 PHE A 40 47.960 34.005 72.310 1.00 0.00 H new ATOM 0 HB3 PHE A 40 47.587 34.487 73.953 1.00 0.00 H new ATOM 0 HD1 PHE A 40 44.658 34.106 74.245 1.00 0.00 H new ATOM 0 HD2 PHE A 40 47.442 31.801 71.969 1.00 0.00 H new ATOM 0 HE1 PHE A 40 43.140 32.172 74.348 1.00 0.00 H new ATOM 0 HE2 PHE A 40 45.936 29.865 72.062 1.00 0.00 H new ATOM 0 HZ PHE A 40 43.801 30.008 73.329 1.00 0.00 H new ATOM 633 N THR A 41 47.069 37.961 71.735 1.00 0.00 N ATOM 634 CA THR A 41 47.855 39.146 71.317 1.00 0.00 C ATOM 635 C THR A 41 47.631 40.152 72.501 1.00 0.00 C ATOM 636 O THR A 41 46.813 41.064 72.371 1.00 0.00 O ATOM 637 CB THR A 41 47.457 39.768 69.956 1.00 0.00 C ATOM 638 OG1 THR A 41 48.065 41.039 69.703 1.00 0.00 O ATOM 639 CG2 THR A 41 47.720 38.870 68.740 1.00 0.00 C ATOM 0 H THR A 41 46.085 38.185 71.880 1.00 0.00 H new ATOM 0 HA THR A 41 48.896 38.874 71.141 1.00 0.00 H new ATOM 0 HB THR A 41 46.380 39.893 70.070 1.00 0.00 H new ATOM 0 HG1 THR A 41 48.825 40.923 69.096 1.00 0.00 H new ATOM 0 HG21 THR A 41 47.411 39.387 67.832 1.00 0.00 H new ATOM 0 HG22 THR A 41 48.784 38.639 68.682 1.00 0.00 H new ATOM 0 HG23 THR A 41 47.153 37.945 68.841 1.00 0.00 H new ATOM 647 N PRO A 42 48.424 40.034 73.647 1.00 0.00 N ATOM 648 CA PRO A 42 48.119 40.859 74.836 1.00 0.00 C ATOM 649 C PRO A 42 48.994 42.146 74.761 1.00 0.00 C ATOM 650 O PRO A 42 49.825 42.395 75.630 1.00 0.00 O ATOM 651 CB PRO A 42 48.358 39.914 76.028 1.00 0.00 C ATOM 652 CG PRO A 42 49.468 38.970 75.539 1.00 0.00 C ATOM 653 CD PRO A 42 49.177 38.836 74.037 1.00 0.00 C ATOM 0 HA PRO A 42 47.101 41.240 74.922 1.00 0.00 H new ATOM 0 HB2 PRO A 42 48.665 40.464 76.918 1.00 0.00 H new ATOM 0 HB3 PRO A 42 47.454 39.365 76.289 1.00 0.00 H new ATOM 0 HG2 PRO A 42 50.459 39.385 75.722 1.00 0.00 H new ATOM 0 HG3 PRO A 42 49.428 38.005 76.045 1.00 0.00 H new ATOM 0 HD2 PRO A 42 50.104 38.759 73.468 1.00 0.00 H new ATOM 0 HD3 PRO A 42 48.601 37.933 73.833 1.00 0.00 H new ATOM 661 N ARG A 43 48.732 42.992 73.696 1.00 0.00 N ATOM 662 CA ARG A 43 49.427 44.261 73.454 1.00 0.00 C ATOM 663 C ARG A 43 48.400 45.293 72.853 1.00 0.00 C ATOM 664 O ARG A 43 47.546 44.947 72.039 1.00 0.00 O ATOM 665 CB ARG A 43 50.603 44.177 72.450 1.00 0.00 C ATOM 666 CG ARG A 43 51.870 43.382 72.862 1.00 0.00 C ATOM 667 CD ARG A 43 52.582 43.731 74.192 1.00 0.00 C ATOM 668 NE ARG A 43 52.992 45.108 74.551 1.00 0.00 N ATOM 669 CZ ARG A 43 53.191 46.166 73.785 1.00 0.00 C ATOM 670 NH1 ARG A 43 53.443 46.061 72.512 1.00 0.00 N ATOM 671 NH2 ARG A 43 53.144 47.356 74.323 1.00 0.00 N ATOM 0 H ARG A 43 48.023 42.785 72.993 1.00 0.00 H new ATOM 0 HA ARG A 43 49.836 44.556 74.420 1.00 0.00 H new ATOM 0 HB2 ARG A 43 50.221 43.739 71.528 1.00 0.00 H new ATOM 0 HB3 ARG A 43 50.912 45.195 72.215 1.00 0.00 H new ATOM 0 HG2 ARG A 43 51.597 42.328 72.903 1.00 0.00 H new ATOM 0 HG3 ARG A 43 52.601 43.491 72.060 1.00 0.00 H new ATOM 0 HD2 ARG A 43 51.929 43.384 74.993 1.00 0.00 H new ATOM 0 HD3 ARG A 43 53.484 43.120 74.229 1.00 0.00 H new ATOM 0 HE ARG A 43 53.145 45.264 75.547 1.00 0.00 H new ATOM 0 HH11 ARG A 43 53.492 45.140 72.076 1.00 0.00 H new ATOM 0 HH12 ARG A 43 53.591 46.900 71.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 52.956 47.458 75.320 1.00 0.00 H new ATOM 0 HH22 ARG A 43 53.295 48.183 73.746 1.00 0.00 H new ATOM 685 N GLY A 44 48.535 46.620 73.250 1.00 0.00 N ATOM 686 CA GLY A 44 47.669 47.690 72.724 1.00 0.00 C ATOM 687 C GLY A 44 48.273 48.376 71.474 1.00 0.00 C ATOM 688 O GLY A 44 47.511 48.745 70.583 1.00 0.00 O ATOM 0 H GLY A 44 49.232 46.940 73.922 1.00 0.00 H new ATOM 0 HA2 GLY A 44 46.694 47.273 72.471 1.00 0.00 H new ATOM 0 HA3 GLY A 44 47.505 48.436 73.501 1.00 0.00 H new ATOM 692 N ASP A 45 49.646 48.571 71.408 1.00 0.00 N ATOM 693 CA ASP A 45 50.322 49.119 70.219 1.00 0.00 C ATOM 694 C ASP A 45 50.535 48.012 69.121 1.00 0.00 C ATOM 695 O ASP A 45 51.345 48.141 68.205 1.00 0.00 O ATOM 696 CB ASP A 45 51.591 49.905 70.594 1.00 0.00 C ATOM 697 CG ASP A 45 52.575 49.097 71.475 1.00 0.00 C ATOM 698 OD1 ASP A 45 53.189 48.192 70.905 1.00 0.00 O ATOM 699 OD2 ASP A 45 52.594 49.392 72.674 1.00 0.00 O ATOM 0 H ASP A 45 50.280 48.349 72.176 1.00 0.00 H new ATOM 0 HA ASP A 45 49.667 49.858 69.757 1.00 0.00 H new ATOM 0 HB2 ASP A 45 52.101 50.214 69.682 1.00 0.00 H new ATOM 0 HB3 ASP A 45 51.304 50.814 71.122 1.00 0.00 H new ATOM 704 N MET A 46 49.666 46.941 69.188 1.00 0.00 N ATOM 705 CA MET A 46 49.530 45.888 68.176 1.00 0.00 C ATOM 706 C MET A 46 47.995 45.929 67.793 1.00 0.00 C ATOM 707 O MET A 46 47.128 45.659 68.625 1.00 0.00 O ATOM 708 CB MET A 46 49.973 44.470 68.610 1.00 0.00 C ATOM 709 CG MET A 46 50.210 43.546 67.396 1.00 0.00 C ATOM 710 SD MET A 46 50.778 41.835 67.796 1.00 0.00 S ATOM 711 CE MET A 46 52.502 41.914 67.239 1.00 0.00 C ATOM 0 H MET A 46 49.036 46.807 69.979 1.00 0.00 H new ATOM 0 HA MET A 46 50.205 46.085 67.344 1.00 0.00 H new ATOM 0 HB2 MET A 46 50.888 44.539 69.198 1.00 0.00 H new ATOM 0 HB3 MET A 46 49.211 44.033 69.256 1.00 0.00 H new ATOM 0 HG2 MET A 46 49.283 43.478 66.827 1.00 0.00 H new ATOM 0 HG3 MET A 46 50.950 44.013 66.746 1.00 0.00 H new ATOM 0 HE1 MET A 46 52.985 40.953 67.413 1.00 0.00 H new ATOM 0 HE2 MET A 46 52.530 42.147 66.174 1.00 0.00 H new ATOM 0 HE3 MET A 46 53.028 42.690 67.794 1.00 0.00 H new ATOM 721 N PRO A 47 47.647 46.249 66.478 1.00 0.00 N ATOM 722 CA PRO A 47 46.239 46.459 66.070 1.00 0.00 C ATOM 723 C PRO A 47 45.651 45.040 65.755 1.00 0.00 C ATOM 724 O PRO A 47 45.790 44.507 64.654 1.00 0.00 O ATOM 725 CB PRO A 47 46.325 47.407 64.856 1.00 0.00 C ATOM 726 CG PRO A 47 47.698 47.082 64.246 1.00 0.00 C ATOM 727 CD PRO A 47 48.558 46.820 65.486 1.00 0.00 C ATOM 0 HA PRO A 47 45.581 46.910 66.813 1.00 0.00 H new ATOM 0 HB2 PRO A 47 45.517 47.226 64.147 1.00 0.00 H new ATOM 0 HB3 PRO A 47 46.256 48.452 65.157 1.00 0.00 H new ATOM 0 HG2 PRO A 47 47.655 46.212 63.591 1.00 0.00 H new ATOM 0 HG3 PRO A 47 48.084 47.910 63.652 1.00 0.00 H new ATOM 0 HD2 PRO A 47 49.374 46.133 65.260 1.00 0.00 H new ATOM 0 HD3 PRO A 47 49.010 47.742 65.852 1.00 0.00 H new ATOM 735 N GLY A 48 44.925 44.417 66.766 1.00 0.00 N ATOM 736 CA GLY A 48 44.368 43.075 66.564 1.00 0.00 C ATOM 737 C GLY A 48 42.880 43.033 66.064 1.00 0.00 C ATOM 738 O GLY A 48 42.031 43.813 66.485 1.00 0.00 O ATOM 0 H GLY A 48 44.735 44.829 67.680 1.00 0.00 H new ATOM 0 HA2 GLY A 48 44.991 42.546 65.843 1.00 0.00 H new ATOM 0 HA3 GLY A 48 44.433 42.527 67.504 1.00 0.00 H new ATOM 742 N PRO A 49 42.577 41.958 65.237 1.00 0.00 N ATOM 743 CA PRO A 49 41.218 41.566 64.825 1.00 0.00 C ATOM 744 C PRO A 49 40.290 41.186 66.007 1.00 0.00 C ATOM 745 O PRO A 49 40.735 41.029 67.143 1.00 0.00 O ATOM 746 CB PRO A 49 41.459 40.278 64.028 1.00 0.00 C ATOM 747 CG PRO A 49 42.748 40.636 63.305 1.00 0.00 C ATOM 748 CD PRO A 49 43.566 41.241 64.433 1.00 0.00 C ATOM 0 HA PRO A 49 40.734 42.389 64.300 1.00 0.00 H new ATOM 0 HB2 PRO A 49 41.574 39.407 64.673 1.00 0.00 H new ATOM 0 HB3 PRO A 49 40.644 40.059 63.338 1.00 0.00 H new ATOM 0 HG2 PRO A 49 43.232 39.761 62.870 1.00 0.00 H new ATOM 0 HG3 PRO A 49 42.581 41.344 62.493 1.00 0.00 H new ATOM 0 HD2 PRO A 49 44.074 40.472 65.016 1.00 0.00 H new ATOM 0 HD3 PRO A 49 44.336 41.913 64.053 1.00 0.00 H new ATOM 756 N TYR A 50 38.956 40.992 65.680 1.00 0.00 N ATOM 757 CA TYR A 50 38.024 40.592 66.754 1.00 0.00 C ATOM 758 C TYR A 50 38.039 39.038 66.927 1.00 0.00 C ATOM 759 O TYR A 50 38.243 38.298 65.966 1.00 0.00 O ATOM 760 CB TYR A 50 36.542 41.106 66.671 1.00 0.00 C ATOM 761 CG TYR A 50 35.641 40.351 65.720 1.00 0.00 C ATOM 762 CD1 TYR A 50 34.891 39.254 66.151 1.00 0.00 C ATOM 763 CD2 TYR A 50 35.453 40.784 64.412 1.00 0.00 C ATOM 764 CE1 TYR A 50 33.967 38.634 65.324 1.00 0.00 C ATOM 765 CE2 TYR A 50 34.527 40.186 63.569 1.00 0.00 C ATOM 766 CZ TYR A 50 33.750 39.115 64.021 1.00 0.00 C ATOM 767 OH TYR A 50 32.796 38.527 63.242 1.00 0.00 O ATOM 0 H TYR A 50 38.549 41.101 64.751 1.00 0.00 H new ATOM 0 HA TYR A 50 38.420 41.109 67.628 1.00 0.00 H new ATOM 0 HB2 TYR A 50 36.105 41.063 67.669 1.00 0.00 H new ATOM 0 HB3 TYR A 50 36.556 42.155 66.374 1.00 0.00 H new ATOM 0 HD1 TYR A 50 35.035 38.879 67.154 1.00 0.00 H new ATOM 0 HD2 TYR A 50 36.044 41.609 64.042 1.00 0.00 H new ATOM 0 HE1 TYR A 50 33.412 37.779 65.682 1.00 0.00 H new ATOM 0 HE2 TYR A 50 34.406 40.549 62.559 1.00 0.00 H new ATOM 0 HH TYR A 50 32.766 38.973 62.370 1.00 0.00 H new ATOM 777 N CYS A 51 37.787 38.547 68.203 1.00 0.00 N ATOM 778 CA CYS A 51 38.077 37.136 68.505 1.00 0.00 C ATOM 779 C CYS A 51 36.915 36.268 69.069 1.00 0.00 C ATOM 780 O CYS A 51 35.884 36.757 69.520 1.00 0.00 O ATOM 781 CB CYS A 51 39.230 37.106 69.514 1.00 0.00 C ATOM 782 SG CYS A 51 40.562 38.257 69.067 1.00 0.00 S ATOM 0 H CYS A 51 37.407 39.092 68.977 1.00 0.00 H new ATOM 0 HA CYS A 51 38.304 36.684 67.539 1.00 0.00 H new ATOM 0 HB2 CYS A 51 38.851 37.359 70.504 1.00 0.00 H new ATOM 0 HB3 CYS A 51 39.631 36.094 69.575 1.00 0.00 H new ATOM 787 N CYS A 52 37.191 34.915 69.051 1.00 0.00 N ATOM 788 CA CYS A 52 36.253 33.895 69.486 1.00 0.00 C ATOM 789 C CYS A 52 37.053 32.704 70.137 1.00 0.00 C ATOM 790 O CYS A 52 38.165 32.388 69.715 1.00 0.00 O ATOM 791 CB CYS A 52 35.473 33.331 68.305 1.00 0.00 C ATOM 792 SG CYS A 52 33.769 32.897 68.749 1.00 0.00 S ATOM 0 H CYS A 52 38.081 34.536 68.728 1.00 0.00 H new ATOM 0 HA CYS A 52 35.563 34.350 70.197 1.00 0.00 H new ATOM 0 HB2 CYS A 52 35.460 34.063 67.498 1.00 0.00 H new ATOM 0 HB3 CYS A 52 35.983 32.446 67.925 1.00 0.00 H new ATOM 797 N GLU A 53 36.437 31.980 71.144 1.00 0.00 N ATOM 798 CA GLU A 53 37.101 30.807 71.759 1.00 0.00 C ATOM 799 C GLU A 53 36.169 29.545 71.735 1.00 0.00 C ATOM 800 O GLU A 53 36.269 28.640 72.563 1.00 0.00 O ATOM 801 CB GLU A 53 37.793 31.127 73.103 1.00 0.00 C ATOM 802 CG GLU A 53 36.965 31.713 74.268 1.00 0.00 C ATOM 803 CD GLU A 53 36.268 33.022 73.915 1.00 0.00 C ATOM 804 OE1 GLU A 53 35.063 33.168 73.819 1.00 0.00 O ATOM 805 OE2 GLU A 53 37.146 34.011 73.719 1.00 0.00 O ATOM 0 H GLU A 53 35.514 32.194 71.522 1.00 0.00 H new ATOM 0 HA GLU A 53 37.949 30.530 71.132 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.252 30.205 73.461 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.603 31.826 72.894 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.217 30.983 74.576 1.00 0.00 H new ATOM 0 HG3 GLU A 53 37.620 31.878 75.123 1.00 0.00 H new ATOM 813 N SER A 54 35.331 29.471 70.642 1.00 0.00 N ATOM 814 CA SER A 54 34.404 28.390 70.290 1.00 0.00 C ATOM 815 C SER A 54 34.800 27.772 68.894 1.00 0.00 C ATOM 816 O SER A 54 35.811 28.132 68.294 1.00 0.00 O ATOM 817 CB SER A 54 32.925 28.867 70.334 1.00 0.00 C ATOM 818 OG SER A 54 32.013 27.772 70.267 1.00 0.00 O ATOM 0 H SER A 54 35.302 30.225 69.956 1.00 0.00 H new ATOM 0 HA SER A 54 34.487 27.601 71.037 1.00 0.00 H new ATOM 0 HB2 SER A 54 32.751 29.429 71.252 1.00 0.00 H new ATOM 0 HB3 SER A 54 32.738 29.547 69.503 1.00 0.00 H new ATOM 0 HG SER A 54 31.094 28.110 70.299 1.00 0.00 H new ATOM 824 N ASP A 55 33.972 26.773 68.425 1.00 0.00 N ATOM 825 CA ASP A 55 34.222 26.007 67.193 1.00 0.00 C ATOM 826 C ASP A 55 33.674 26.844 65.962 1.00 0.00 C ATOM 827 O ASP A 55 32.470 27.071 65.856 1.00 0.00 O ATOM 828 CB ASP A 55 33.499 24.654 67.339 1.00 0.00 C ATOM 829 CG ASP A 55 33.849 23.591 66.283 1.00 0.00 C ATOM 830 OD1 ASP A 55 34.904 23.738 65.657 1.00 0.00 O ATOM 831 OD2 ASP A 55 33.015 22.687 66.164 1.00 0.00 O ATOM 0 H ASP A 55 33.118 26.493 68.907 1.00 0.00 H new ATOM 0 HA ASP A 55 35.283 25.824 67.025 1.00 0.00 H new ATOM 0 HB2 ASP A 55 33.724 24.248 68.325 1.00 0.00 H new ATOM 0 HB3 ASP A 55 32.424 24.832 67.306 1.00 0.00 H new ATOM 836 N LYS A 56 34.579 27.339 65.012 1.00 0.00 N ATOM 837 CA LYS A 56 34.233 28.104 63.811 1.00 0.00 C ATOM 838 C LYS A 56 33.806 29.570 64.156 1.00 0.00 C ATOM 839 O LYS A 56 34.441 30.523 63.705 1.00 0.00 O ATOM 840 CB LYS A 56 33.246 27.458 62.809 1.00 0.00 C ATOM 841 CG LYS A 56 33.872 26.288 62.016 1.00 0.00 C ATOM 842 CD LYS A 56 34.079 24.933 62.713 1.00 0.00 C ATOM 843 CE LYS A 56 32.857 24.054 62.987 1.00 0.00 C ATOM 844 NZ LYS A 56 33.366 22.851 63.803 1.00 0.00 N ATOM 0 H LYS A 56 35.584 27.191 65.101 1.00 0.00 H new ATOM 0 HA LYS A 56 35.175 28.108 63.263 1.00 0.00 H new ATOM 0 HB2 LYS A 56 32.372 27.097 63.350 1.00 0.00 H new ATOM 0 HB3 LYS A 56 32.897 28.218 62.110 1.00 0.00 H new ATOM 0 HG2 LYS A 56 33.247 26.114 61.140 1.00 0.00 H new ATOM 0 HG3 LYS A 56 34.844 26.621 61.652 1.00 0.00 H new ATOM 0 HD2 LYS A 56 34.775 24.352 62.107 1.00 0.00 H new ATOM 0 HD3 LYS A 56 34.570 25.124 63.667 1.00 0.00 H new ATOM 0 HE2 LYS A 56 32.097 24.606 63.540 1.00 0.00 H new ATOM 0 HE3 LYS A 56 32.397 23.725 62.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 33.375 22.003 63.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 34.329 23.045 64.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 32.737 22.692 64.616 1.00 0.00 H new ATOM 858 N CYS A 57 32.668 29.708 64.917 1.00 0.00 N ATOM 859 CA CYS A 57 32.010 30.944 65.322 1.00 0.00 C ATOM 860 C CYS A 57 31.233 31.532 64.102 1.00 0.00 C ATOM 861 O CYS A 57 31.364 32.714 63.786 1.00 0.00 O ATOM 862 CB CYS A 57 32.849 31.977 66.091 1.00 0.00 C ATOM 863 SG CYS A 57 33.510 31.220 67.601 1.00 0.00 S ATOM 0 H CYS A 57 32.176 28.889 65.273 1.00 0.00 H new ATOM 0 HA CYS A 57 31.308 30.662 66.107 1.00 0.00 H new ATOM 0 HB2 CYS A 57 33.665 32.336 65.465 1.00 0.00 H new ATOM 0 HB3 CYS A 57 32.237 32.842 66.344 1.00 0.00 H new ATOM 868 N ASN A 58 30.341 30.669 63.479 1.00 0.00 N ATOM 869 CA ASN A 58 29.356 31.058 62.468 1.00 0.00 C ATOM 870 C ASN A 58 30.161 31.710 61.295 1.00 0.00 C ATOM 871 O ASN A 58 30.183 32.927 61.110 1.00 0.00 O ATOM 872 CB ASN A 58 28.216 31.907 63.037 1.00 0.00 C ATOM 873 CG ASN A 58 26.921 31.801 62.240 1.00 0.00 C ATOM 874 OD1 ASN A 58 27.033 32.071 60.921 1.00 0.00 O flip ATOM 875 ND2 ASN A 58 25.857 31.492 62.742 1.00 0.00 N flip ATOM 0 H ASN A 58 30.313 29.672 63.693 1.00 0.00 H new ATOM 0 HA ASN A 58 28.814 30.194 62.085 1.00 0.00 H new ATOM 0 HB2 ASN A 58 28.026 31.602 64.066 1.00 0.00 H new ATOM 0 HB3 ASN A 58 28.531 32.950 63.066 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.803 31.294 63.741 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.019 31.431 62.164 1.00 0.00 H new ATOM 882 N LEU A 59 30.797 30.805 60.466 1.00 0.00 N ATOM 883 CA LEU A 59 31.710 31.115 59.340 1.00 0.00 C ATOM 884 C LEU A 59 33.101 31.345 60.059 1.00 0.00 C ATOM 885 O LEU A 59 33.503 32.512 60.134 1.00 0.00 O ATOM 886 CB LEU A 59 31.291 32.240 58.368 1.00 0.00 C ATOM 887 CG LEU A 59 31.997 32.181 56.992 1.00 0.00 C ATOM 888 CD1 LEU A 59 31.490 31.000 56.146 1.00 0.00 C ATOM 889 CD2 LEU A 59 31.803 33.477 56.189 1.00 0.00 C ATOM 890 OXT LEU A 59 33.664 30.333 60.495 1.00 0.00 O ATOM 0 H LEU A 59 30.669 29.800 60.585 1.00 0.00 H new ATOM 0 HA LEU A 59 31.720 30.297 58.620 1.00 0.00 H new ATOM 0 HB2 LEU A 59 30.213 32.190 58.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 31.502 33.204 58.832 1.00 0.00 H new ATOM 0 HG LEU A 59 33.058 32.049 57.205 1.00 0.00 H new ATOM 0 HD11 LEU A 59 32.008 30.991 55.187 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.684 30.066 56.672 1.00 0.00 H new ATOM 0 HD13 LEU A 59 30.418 31.106 55.978 1.00 0.00 H new ATOM 0 HD21 LEU A 59 32.315 33.391 55.231 1.00 0.00 H new ATOM 0 HD22 LEU A 59 30.739 33.644 56.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 32.217 34.317 56.748 1.00 0.00 H new TER 902 LEU A 59