USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 679 hydrogens (29 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 NoAdj-H: A 91 E2P HXT : A 91 E2P O20 : A 91 E2P C20 :(short bond) USER MOD Set 1.1: A 62 ASN : amide:sc= -1.37 K(o=-2.3,f=-6.3!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.919 K(o=-2.3,f=-7) USER MOD Set 2.1: A 16 TYR OH : rot 100:sc= -0.511 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -179:sc= -0.451 (180deg=0) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.485 K(o=-1.6,f=-6.2!) USER MOD Set 3.2: A 37 GLN : amide:sc= -1.08 K(o=-1.6,f=-2.8!) USER MOD Single : A 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0705 K(o=-0.071,f=-1.1!) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0375) USER MOD Single : A 33 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.26) USER MOD Single : A 35 HIS : no HD1:sc= -0.123 K(o=-0.12,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.2) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-3.1e-05) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.019 K(o=-0.019,f=-2.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.027 K(o=0.027,f=-7.8!) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= 1.39 (180deg=1.22) USER MOD Single : A 59 HIS : no HE2:sc= 0.741 K(o=0.74,f=-2.9!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 67:sc= 0.0017 USER MOD Single : A 76 ASN : amide:sc= 0.808 K(o=0.81,f=-0.22) USER MOD Single : A 79 TYR OH : rot 40:sc= 0.0855 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 82 SER OG : rot -173:sc= 1.38 USER MOD Single : A 84 ASN : amide:sc= 1.05 K(o=1.1,f=-1.5) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 E2P O6 : rot -101:sc= -0.835 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -12.417 -4.487 5.909 1.00 -0.46 N ATOM 2 CA ILE A 1 -10.981 -4.801 5.955 1.00 0.04 C ATOM 3 C ILE A 1 -10.177 -3.592 5.495 1.00 0.62 C ATOM 4 O ILE A 1 -9.540 -2.965 6.330 1.00 -0.50 O ATOM 5 CB ILE A 1 -10.603 -6.183 5.306 1.00 -0.01 C ATOM 6 CG1 ILE A 1 -9.076 -6.322 5.027 1.00 -0.05 C ATOM 7 CG2 ILE A 1 -11.406 -6.564 4.025 1.00 -0.09 C ATOM 8 CD1 ILE A 1 -8.203 -6.235 6.307 1.00 -0.09 C ATOM 0 H1 ILE A 1 -12.963 -5.314 6.224 1.00 -0.46 H new ATOM 0 H2 ILE A 1 -12.616 -3.681 6.536 1.00 -0.46 H new ATOM 0 H3 ILE A 1 -12.688 -4.243 4.935 1.00 -0.46 H new ATOM 0 HA ILE A 1 -10.692 -4.980 6.991 1.00 0.04 H new ATOM 0 HB ILE A 1 -10.897 -6.897 6.076 1.00 -0.01 H new ATOM 0 HG12 ILE A 1 -8.890 -7.276 4.534 1.00 -0.05 H new ATOM 0 HG13 ILE A 1 -8.769 -5.540 4.333 1.00 -0.05 H new ATOM 0 HG21 ILE A 1 -11.068 -7.533 3.658 1.00 -0.09 H new ATOM 0 HG22 ILE A 1 -12.468 -6.617 4.264 1.00 -0.09 H new ATOM 0 HG23 ILE A 1 -11.244 -5.809 3.256 1.00 -0.09 H new ATOM 0 HD11 ILE A 1 -7.152 -6.340 6.038 1.00 -0.09 H new ATOM 0 HD12 ILE A 1 -8.360 -5.270 6.790 1.00 -0.09 H new ATOM 0 HD13 ILE A 1 -8.483 -7.034 6.994 1.00 -0.09 H new ATOM 22 N ASP A 2 -10.192 -3.211 4.196 1.00 -0.46 N ATOM 23 CA ASP A 2 -9.520 -1.986 3.759 1.00 0.04 C ATOM 24 C ASP A 2 -10.554 -0.880 3.736 1.00 0.62 C ATOM 25 O ASP A 2 -11.703 -1.160 4.035 1.00 -0.50 O ATOM 26 CB ASP A 2 -8.784 -2.254 2.420 1.00 -0.40 C ATOM 27 CG ASP A 2 -7.690 -1.249 2.145 1.00 0.71 C ATOM 28 OD1 ASP A 2 -7.968 -0.028 2.256 1.00 -0.72 O ATOM 29 OD2 ASP A 2 -6.545 -1.659 1.819 1.00 -0.72 O ATOM 0 H ASP A 2 -10.656 -3.731 3.451 1.00 -0.46 H new ATOM 0 HA ASP A 2 -8.735 -1.658 4.441 1.00 0.04 H new ATOM 0 HB2 ASP A 2 -8.355 -3.256 2.440 1.00 -0.40 H new ATOM 0 HB3 ASP A 2 -9.505 -2.233 1.603 1.00 -0.40 H new ATOM 34 N CYS A 3 -10.188 0.387 3.436 1.00 -0.46 N ATOM 35 CA CYS A 3 -11.086 1.500 3.734 1.00 0.04 C ATOM 36 C CYS A 3 -11.417 1.472 5.220 1.00 0.62 C ATOM 37 O CYS A 3 -12.500 1.889 5.598 1.00 -0.50 O ATOM 38 CB CYS A 3 -12.353 1.511 2.834 1.00 -0.10 C ATOM 39 SG CYS A 3 -12.025 1.672 1.043 1.00 0.82 S ATOM 0 H CYS A 3 -9.303 0.649 3.001 1.00 -0.46 H new ATOM 0 HA CYS A 3 -10.580 2.437 3.500 1.00 0.04 H new ATOM 0 HB2 CYS A 3 -12.910 0.590 3.005 1.00 -0.10 H new ATOM 0 HB3 CYS A 3 -12.995 2.334 3.146 1.00 -0.10 H new ATOM 44 N GLY A 4 -10.493 0.982 6.085 1.00 -0.46 N ATOM 45 CA GLY A 4 -10.755 0.942 7.523 1.00 0.04 C ATOM 46 C GLY A 4 -9.581 0.385 8.308 1.00 0.62 C ATOM 47 O GLY A 4 -8.790 1.157 8.829 1.00 -0.50 O ATOM 0 H GLY A 4 -9.581 0.619 5.807 1.00 -0.46 H new ATOM 0 HA2 GLY A 4 -10.981 1.948 7.877 1.00 0.04 H new ATOM 0 HA3 GLY A 4 -11.638 0.332 7.712 1.00 0.04 H new ATOM 51 N HIS A 5 -9.426 -0.958 8.407 1.00 -0.46 N ATOM 52 CA HIS A 5 -8.321 -1.515 9.195 1.00 0.04 C ATOM 53 C HIS A 5 -7.011 -1.416 8.444 1.00 0.62 C ATOM 54 O HIS A 5 -6.036 -0.952 9.015 1.00 -0.50 O ATOM 55 CB HIS A 5 -8.582 -2.989 9.606 1.00 -0.10 C ATOM 56 CG HIS A 5 -7.348 -3.615 10.207 1.00 0.06 C ATOM 57 ND1 HIS A 5 -6.649 -3.152 11.202 1.00 -0.06 N ATOM 58 CD2 HIS A 5 -6.752 -4.748 9.824 1.00 -0.04 C ATOM 59 CE1 HIS A 5 -5.635 -3.917 11.479 1.00 0.11 C ATOM 60 NE2 HIS A 5 -5.730 -4.887 10.617 1.00 -0.06 N ATOM 0 H HIS A 5 -10.034 -1.648 7.965 1.00 -0.46 H new ATOM 0 HA HIS A 5 -8.255 -0.918 10.105 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -9.400 -3.029 10.325 1.00 -0.10 H new ATOM 0 HB3 HIS A 5 -8.896 -3.562 8.734 1.00 -0.10 H new ATOM 0 HD2 HIS A 5 -7.055 -5.409 9.025 1.00 -0.04 H new ATOM 0 HE1 HIS A 5 -4.888 -3.779 12.246 1.00 0.11 H new ATOM 0 HE2 HIS A 5 -5.077 -5.669 10.568 1.00 -0.06 H new ATOM 69 N VAL A 6 -6.950 -1.843 7.163 1.00 -0.46 N ATOM 70 CA VAL A 6 -5.702 -1.674 6.412 1.00 0.04 C ATOM 71 C VAL A 6 -5.411 -0.188 6.407 1.00 0.62 C ATOM 72 O VAL A 6 -4.313 0.213 6.760 1.00 -0.50 O ATOM 73 CB VAL A 6 -5.720 -2.216 4.950 1.00 -0.01 C ATOM 74 CG1 VAL A 6 -4.316 -2.142 4.292 1.00 -0.09 C ATOM 75 CG2 VAL A 6 -6.230 -3.679 4.847 1.00 -0.09 C ATOM 0 H VAL A 6 -7.715 -2.286 6.653 1.00 -0.46 H new ATOM 0 HA VAL A 6 -4.933 -2.269 6.904 1.00 0.04 H new ATOM 0 HB VAL A 6 -6.417 -1.567 4.419 1.00 -0.01 H new ATOM 0 HG11 VAL A 6 -4.370 -2.529 3.274 1.00 -0.09 H new ATOM 0 HG12 VAL A 6 -3.979 -1.106 4.269 1.00 -0.09 H new ATOM 0 HG13 VAL A 6 -3.611 -2.740 4.870 1.00 -0.09 H new ATOM 0 HG21 VAL A 6 -6.218 -3.996 3.804 1.00 -0.09 H new ATOM 0 HG22 VAL A 6 -5.583 -4.332 5.432 1.00 -0.09 H new ATOM 0 HG23 VAL A 6 -7.248 -3.737 5.232 1.00 -0.09 H new ATOM 85 N ASP A 7 -6.418 0.634 6.029 1.00 -0.46 N ATOM 86 CA ASP A 7 -6.248 2.085 6.033 1.00 0.04 C ATOM 87 C ASP A 7 -5.555 2.539 7.303 1.00 0.62 C ATOM 88 O ASP A 7 -4.554 3.232 7.222 1.00 -0.50 O ATOM 89 CB ASP A 7 -7.607 2.814 5.865 1.00 -0.40 C ATOM 90 CG ASP A 7 -7.422 4.306 5.881 1.00 0.71 C ATOM 91 OD1 ASP A 7 -6.705 4.828 4.988 1.00 -0.72 O ATOM 92 OD2 ASP A 7 -7.992 4.976 6.788 1.00 -0.72 O ATOM 0 H ASP A 7 -7.337 0.313 5.724 1.00 -0.46 H new ATOM 0 HA ASP A 7 -5.620 2.347 5.181 1.00 0.04 H new ATOM 0 HB2 ASP A 7 -8.073 2.511 4.927 1.00 -0.40 H new ATOM 0 HB3 ASP A 7 -8.284 2.519 6.667 1.00 -0.40 H new ATOM 97 N SER A 8 -6.043 2.141 8.499 1.00 -0.46 N ATOM 98 CA SER A 8 -5.367 2.556 9.731 1.00 0.04 C ATOM 99 C SER A 8 -3.868 2.352 9.639 1.00 0.62 C ATOM 100 O SER A 8 -3.124 3.233 10.044 1.00 -0.50 O ATOM 101 CB SER A 8 -5.897 1.786 10.970 1.00 0.02 C ATOM 102 OG SER A 8 -5.340 2.302 12.192 1.00 -0.55 O ATOM 0 H SER A 8 -6.869 1.557 8.629 1.00 -0.46 H new ATOM 0 HA SER A 8 -5.583 3.618 9.851 1.00 0.04 H new ATOM 0 HB2 SER A 8 -6.984 1.858 11.006 1.00 0.02 H new ATOM 0 HB3 SER A 8 -5.650 0.729 10.875 1.00 0.02 H new ATOM 0 HG SER A 8 -5.695 1.796 12.953 1.00 -0.55 H new ATOM 108 N LEU A 9 -3.401 1.198 9.110 1.00 -0.46 N ATOM 109 CA LEU A 9 -1.959 0.965 8.992 1.00 0.04 C ATOM 110 C LEU A 9 -1.330 1.705 7.823 1.00 0.62 C ATOM 111 O LEU A 9 -0.125 1.906 7.864 1.00 -0.50 O ATOM 112 CB LEU A 9 -1.633 -0.551 8.869 1.00 -0.06 C ATOM 113 CG LEU A 9 -2.207 -1.473 9.987 1.00 -0.01 C ATOM 114 CD1 LEU A 9 -1.581 -2.892 9.849 1.00 -0.11 C ATOM 115 CD2 LEU A 9 -1.945 -0.922 11.414 1.00 -0.11 C ATOM 0 H LEU A 9 -3.989 0.438 8.769 1.00 -0.46 H new ATOM 0 HA LEU A 9 -1.527 1.359 9.912 1.00 0.04 H new ATOM 0 HB2 LEU A 9 -2.007 -0.905 7.908 1.00 -0.06 H new ATOM 0 HB3 LEU A 9 -0.549 -0.668 8.852 1.00 -0.06 H new ATOM 0 HG LEU A 9 -3.288 -1.514 9.856 1.00 -0.01 H new ATOM 0 HD11 LEU A 9 -1.978 -3.542 10.628 1.00 -0.11 H new ATOM 0 HD12 LEU A 9 -1.828 -3.305 8.871 1.00 -0.11 H new ATOM 0 HD13 LEU A 9 -0.498 -2.823 9.951 1.00 -0.11 H new ATOM 0 HD21 LEU A 9 -2.367 -1.605 12.151 1.00 -0.11 H new ATOM 0 HD22 LEU A 9 -0.871 -0.830 11.577 1.00 -0.11 H new ATOM 0 HD23 LEU A 9 -2.413 0.057 11.518 1.00 -0.11 H new ATOM 127 N VAL A 10 -2.071 2.130 6.769 1.00 -0.46 N ATOM 128 CA VAL A 10 -1.443 2.924 5.703 1.00 0.04 C ATOM 129 C VAL A 10 -1.229 4.344 6.182 1.00 0.62 C ATOM 130 O VAL A 10 -0.235 4.938 5.796 1.00 -0.50 O ATOM 131 CB VAL A 10 -2.164 2.968 4.317 1.00 -0.01 C ATOM 132 CG1 VAL A 10 -2.728 1.578 3.920 1.00 -0.09 C ATOM 133 CG2 VAL A 10 -3.255 4.072 4.207 1.00 -0.09 C ATOM 0 H VAL A 10 -3.065 1.942 6.642 1.00 -0.46 H new ATOM 0 HA VAL A 10 -0.511 2.393 5.510 1.00 0.04 H new ATOM 0 HB VAL A 10 -1.391 3.243 3.599 1.00 -0.01 H new ATOM 0 HG11 VAL A 10 -3.222 1.649 2.951 1.00 -0.09 H new ATOM 0 HG12 VAL A 10 -1.912 0.858 3.859 1.00 -0.09 H new ATOM 0 HG13 VAL A 10 -3.447 1.249 4.670 1.00 -0.09 H new ATOM 0 HG21 VAL A 10 -3.709 4.038 3.216 1.00 -0.09 H new ATOM 0 HG22 VAL A 10 -4.022 3.903 4.963 1.00 -0.09 H new ATOM 0 HG23 VAL A 10 -2.800 5.050 4.364 1.00 -0.09 H new ATOM 143 N ARG A 11 -2.133 4.923 7.007 1.00 -0.46 N ATOM 144 CA ARG A 11 -1.981 6.326 7.403 1.00 0.04 C ATOM 145 C ARG A 11 -0.548 6.696 7.762 1.00 0.62 C ATOM 146 O ARG A 11 -0.049 7.624 7.141 1.00 -0.50 O ATOM 147 CB ARG A 11 -2.972 6.806 8.505 1.00 -0.08 C ATOM 148 CG ARG A 11 -4.490 6.612 8.202 1.00 -0.10 C ATOM 149 CD ARG A 11 -4.982 7.255 6.874 1.00 -0.23 C ATOM 150 NE ARG A 11 -6.427 7.063 6.702 1.00 -0.32 N ATOM 151 CZ ARG A 11 -7.123 7.537 5.690 1.00 0.76 C ATOM 152 NH1 ARG A 11 -6.592 8.269 4.743 1.00 -0.62 N ATOM 153 NH2 ARG A 11 -8.404 7.269 5.616 1.00 -0.62 N ATOM 0 H ARG A 11 -2.949 4.450 7.397 1.00 -0.46 H new ATOM 0 HA ARG A 11 -2.251 6.872 6.499 1.00 0.04 H new ATOM 0 HB2 ARG A 11 -2.738 6.278 9.429 1.00 -0.08 H new ATOM 0 HB3 ARG A 11 -2.792 7.865 8.689 1.00 -0.08 H new ATOM 0 HG2 ARG A 11 -4.706 5.544 8.173 1.00 -0.10 H new ATOM 0 HG3 ARG A 11 -5.066 7.031 9.027 1.00 -0.10 H new ATOM 0 HD2 ARG A 11 -4.750 8.320 6.873 1.00 -0.23 H new ATOM 0 HD3 ARG A 11 -4.450 6.812 6.032 1.00 -0.23 H new ATOM 0 HE ARG A 11 -6.925 6.527 7.413 1.00 -0.32 H new ATOM 0 HH11 ARG A 11 -5.598 8.495 4.770 1.00 -0.62 H new ATOM 0 HH12 ARG A 11 -7.173 8.614 3.979 1.00 -0.62 H new ATOM 0 HH21 ARG A 11 -8.848 6.700 6.337 1.00 -0.62 H new ATOM 0 HH22 ARG A 11 -8.956 7.629 4.838 1.00 -0.62 H new ATOM 167 N PRO A 12 0.198 6.050 8.698 1.00 -0.23 N ATOM 168 CA PRO A 12 1.580 6.465 8.929 1.00 0.04 C ATOM 169 C PRO A 12 2.453 6.305 7.701 1.00 0.53 C ATOM 170 O PRO A 12 3.422 7.036 7.567 1.00 -0.50 O ATOM 171 CB PRO A 12 1.988 5.479 10.053 1.00 -0.12 C ATOM 172 CG PRO A 12 1.038 4.274 9.871 1.00 -0.12 C ATOM 173 CD PRO A 12 -0.304 4.941 9.497 1.00 -0.01 C ATOM 0 HA PRO A 12 1.689 7.520 9.179 1.00 0.04 H new ATOM 0 HB2 PRO A 12 3.032 5.180 9.959 1.00 -0.12 H new ATOM 0 HB3 PRO A 12 1.873 5.930 11.038 1.00 -0.12 H new ATOM 0 HG2 PRO A 12 1.386 3.601 9.088 1.00 -0.12 H new ATOM 0 HG3 PRO A 12 0.955 3.684 10.784 1.00 -0.12 H new ATOM 0 HD2 PRO A 12 -0.958 4.278 8.931 1.00 -0.01 H new ATOM 0 HD3 PRO A 12 -0.865 5.273 10.370 1.00 -0.01 H new ATOM 181 N CYS A 13 2.145 5.364 6.780 1.00 -0.46 N ATOM 182 CA CYS A 13 2.954 5.234 5.570 1.00 0.04 C ATOM 183 C CYS A 13 2.879 6.499 4.739 1.00 0.62 C ATOM 184 O CYS A 13 3.882 6.879 4.155 1.00 -0.50 O ATOM 185 CB CYS A 13 2.507 4.021 4.710 1.00 -0.10 C ATOM 186 SG CYS A 13 2.441 2.491 5.699 1.00 0.82 S ATOM 0 H CYS A 13 1.367 4.709 6.855 1.00 -0.46 H new ATOM 0 HA CYS A 13 3.984 5.069 5.887 1.00 0.04 H new ATOM 0 HB2 CYS A 13 1.526 4.220 4.280 1.00 -0.10 H new ATOM 0 HB3 CYS A 13 3.199 3.888 3.878 1.00 -0.10 H new ATOM 191 N LEU A 14 1.697 7.153 4.681 1.00 -0.46 N ATOM 192 CA LEU A 14 1.509 8.313 3.803 1.00 0.04 C ATOM 193 C LEU A 14 2.668 9.299 3.791 1.00 0.62 C ATOM 194 O LEU A 14 2.895 9.899 2.753 1.00 -0.50 O ATOM 195 CB LEU A 14 0.190 9.080 4.107 1.00 -0.06 C ATOM 196 CG LEU A 14 -1.125 8.308 3.760 1.00 -0.01 C ATOM 197 CD1 LEU A 14 -2.346 9.141 4.237 1.00 -0.11 C ATOM 198 CD2 LEU A 14 -1.281 7.994 2.241 1.00 -0.11 C ATOM 0 H LEU A 14 0.874 6.896 5.226 1.00 -0.46 H new ATOM 0 HA LEU A 14 1.456 7.870 2.809 1.00 0.04 H new ATOM 0 HB2 LEU A 14 0.173 9.336 5.166 1.00 -0.06 H new ATOM 0 HB3 LEU A 14 0.198 10.018 3.553 1.00 -0.06 H new ATOM 0 HG LEU A 14 -1.073 7.349 4.275 1.00 -0.01 H new ATOM 0 HD11 LEU A 14 -3.266 8.608 3.998 1.00 -0.11 H new ATOM 0 HD12 LEU A 14 -2.284 9.293 5.315 1.00 -0.11 H new ATOM 0 HD13 LEU A 14 -2.346 10.108 3.734 1.00 -0.11 H new ATOM 0 HD21 LEU A 14 -2.215 7.458 2.074 1.00 -0.11 H new ATOM 0 HD22 LEU A 14 -1.292 8.926 1.676 1.00 -0.11 H new ATOM 0 HD23 LEU A 14 -0.445 7.378 1.909 1.00 -0.11 H new ATOM 210 N SER A 15 3.420 9.512 4.895 1.00 -0.46 N ATOM 211 CA SER A 15 4.464 10.546 4.878 1.00 0.04 C ATOM 212 C SER A 15 5.504 10.347 3.785 1.00 0.62 C ATOM 213 O SER A 15 5.449 11.045 2.783 1.00 -0.50 O ATOM 214 CB SER A 15 5.133 10.733 6.270 1.00 0.02 C ATOM 215 OG SER A 15 4.233 11.346 7.211 1.00 -0.55 O ATOM 0 H SER A 15 3.326 9.001 5.773 1.00 -0.46 H new ATOM 0 HA SER A 15 3.942 11.471 4.634 1.00 0.04 H new ATOM 0 HB2 SER A 15 5.456 9.765 6.652 1.00 0.02 H new ATOM 0 HB3 SER A 15 6.026 11.349 6.165 1.00 0.02 H new ATOM 0 HG SER A 15 4.683 11.448 8.076 1.00 -0.55 H new ATOM 221 N TYR A 16 6.481 9.420 3.931 1.00 -0.46 N ATOM 222 CA TYR A 16 7.503 9.261 2.886 1.00 0.04 C ATOM 223 C TYR A 16 6.819 8.868 1.593 1.00 0.62 C ATOM 224 O TYR A 16 7.153 9.392 0.543 1.00 -0.50 O ATOM 225 CB TYR A 16 8.567 8.209 3.312 1.00 -0.10 C ATOM 226 CG TYR A 16 9.713 7.897 2.326 1.00 -0.03 C ATOM 227 CD1 TYR A 16 10.024 8.684 1.210 1.00 0.00 C ATOM 228 CD2 TYR A 16 10.496 6.760 2.561 1.00 0.00 C ATOM 229 CE1 TYR A 16 11.039 8.311 0.322 1.00 -0.26 C ATOM 230 CE2 TYR A 16 11.505 6.375 1.676 1.00 -0.26 C ATOM 231 CZ TYR A 16 11.779 7.146 0.545 1.00 0.46 C ATOM 232 OH TYR A 16 12.784 6.735 -0.337 1.00 -0.53 O ATOM 0 H TYR A 16 6.577 8.796 4.732 1.00 -0.46 H new ATOM 0 HA TYR A 16 8.030 10.203 2.737 1.00 0.04 H new ATOM 0 HB2 TYR A 16 9.014 8.546 4.247 1.00 -0.10 H new ATOM 0 HB3 TYR A 16 8.047 7.275 3.525 1.00 -0.10 H new ATOM 0 HD1 TYR A 16 9.471 9.594 1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.315 6.168 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.252 8.926 -0.540 1.00 -0.26 H new ATOM 0 HE2 TYR A 16 12.075 5.478 1.867 1.00 -0.26 H new ATOM 0 HH TYR A 16 13.659 6.991 0.022 1.00 -0.53 H new ATOM 242 N VAL A 17 5.826 7.954 1.659 1.00 -0.46 N ATOM 243 CA VAL A 17 5.039 7.614 0.467 1.00 0.04 C ATOM 244 C VAL A 17 4.781 8.840 -0.380 1.00 0.62 C ATOM 245 O VAL A 17 5.136 8.838 -1.548 1.00 -0.50 O ATOM 246 CB VAL A 17 3.679 6.993 0.896 1.00 -0.01 C ATOM 247 CG1 VAL A 17 2.571 7.051 -0.193 1.00 -0.09 C ATOM 248 CG2 VAL A 17 3.864 5.536 1.387 1.00 -0.09 C ATOM 0 H VAL A 17 5.559 7.452 2.506 1.00 -0.46 H new ATOM 0 HA VAL A 17 5.608 6.895 -0.123 1.00 0.04 H new ATOM 0 HB VAL A 17 3.329 7.620 1.716 1.00 -0.01 H new ATOM 0 HG11 VAL A 17 1.658 6.596 0.192 1.00 -0.09 H new ATOM 0 HG12 VAL A 17 2.375 8.090 -0.458 1.00 -0.09 H new ATOM 0 HG13 VAL A 17 2.902 6.507 -1.078 1.00 -0.09 H new ATOM 0 HG21 VAL A 17 2.898 5.126 1.681 1.00 -0.09 H new ATOM 0 HG22 VAL A 17 4.286 4.932 0.584 1.00 -0.09 H new ATOM 0 HG23 VAL A 17 4.539 5.523 2.243 1.00 -0.09 H new ATOM 258 N GLN A 18 4.166 9.901 0.190 1.00 -0.46 N ATOM 259 CA GLN A 18 3.931 11.097 -0.613 1.00 0.04 C ATOM 260 C GLN A 18 5.267 11.717 -0.958 1.00 0.62 C ATOM 261 O GLN A 18 5.531 11.974 -2.123 1.00 -0.50 O ATOM 262 CB GLN A 18 3.045 12.160 0.093 1.00 -0.10 C ATOM 263 CG GLN A 18 1.570 11.701 0.263 1.00 -0.10 C ATOM 264 CD GLN A 18 0.752 12.740 0.997 1.00 0.68 C ATOM 265 OE1 GLN A 18 1.119 13.903 1.010 1.00 -0.47 O ATOM 266 NE2 GLN A 18 -0.381 12.364 1.623 1.00 -0.87 N ATOM 0 H GLN A 18 3.841 9.946 1.156 1.00 -0.46 H new ATOM 0 HA GLN A 18 3.387 10.782 -1.504 1.00 0.04 H new ATOM 0 HB2 GLN A 18 3.466 12.384 1.073 1.00 -0.10 H new ATOM 0 HB3 GLN A 18 3.068 13.085 -0.483 1.00 -0.10 H new ATOM 0 HG2 GLN A 18 1.130 11.514 -0.717 1.00 -0.10 H new ATOM 0 HG3 GLN A 18 1.541 10.759 0.810 1.00 -0.10 H new ATOM 0 HE21 GLN A 18 -0.675 11.387 1.603 1.00 -0.87 H new ATOM 0 HE22 GLN A 18 -0.945 13.056 2.117 1.00 -0.87 H new ATOM 275 N GLY A 19 6.112 11.961 0.068 1.00 -0.46 N ATOM 276 CA GLY A 19 7.401 12.610 -0.162 1.00 0.04 C ATOM 277 C GLY A 19 7.889 13.187 1.149 1.00 0.62 C ATOM 278 O GLY A 19 7.263 14.115 1.635 1.00 -0.50 O ATOM 0 H GLY A 19 5.922 11.720 1.041 1.00 -0.46 H new ATOM 0 HA2 GLY A 19 8.122 11.892 -0.552 1.00 0.04 H new ATOM 0 HA3 GLY A 19 7.301 13.398 -0.909 1.00 0.04 H new ATOM 282 N GLY A 20 8.969 12.650 1.762 1.00 -0.46 N ATOM 283 CA GLY A 20 9.349 13.088 3.104 1.00 0.04 C ATOM 284 C GLY A 20 10.184 12.043 3.810 1.00 0.62 C ATOM 285 O GLY A 20 10.435 11.013 3.204 1.00 -0.50 O ATOM 0 H GLY A 20 9.571 11.934 1.355 1.00 -0.46 H new ATOM 0 HA2 GLY A 20 9.909 14.021 3.039 1.00 0.04 H new ATOM 0 HA3 GLY A 20 8.452 13.295 3.688 1.00 0.04 H new ATOM 289 N PRO A 21 10.639 12.247 5.071 1.00 -0.23 N ATOM 290 CA PRO A 21 11.436 11.222 5.731 1.00 0.04 C ATOM 291 C PRO A 21 10.549 10.149 6.321 1.00 0.53 C ATOM 292 O PRO A 21 9.337 10.245 6.211 1.00 -0.50 O ATOM 293 CB PRO A 21 12.075 12.093 6.841 1.00 -0.12 C ATOM 294 CG PRO A 21 10.951 13.097 7.188 1.00 -0.12 C ATOM 295 CD PRO A 21 10.374 13.479 5.804 1.00 -0.01 C ATOM 0 HA PRO A 21 12.137 10.681 5.096 1.00 0.04 H new ATOM 0 HB2 PRO A 21 12.364 11.496 7.706 1.00 -0.12 H new ATOM 0 HB3 PRO A 21 12.974 12.599 6.489 1.00 -0.12 H new ATOM 0 HG2 PRO A 21 10.193 12.647 7.829 1.00 -0.12 H new ATOM 0 HG3 PRO A 21 11.339 13.968 7.716 1.00 -0.12 H new ATOM 0 HD2 PRO A 21 9.311 13.718 5.847 1.00 -0.01 H new ATOM 0 HD3 PRO A 21 10.877 14.341 5.366 1.00 -0.01 H new ATOM 303 N GLY A 22 11.148 9.121 6.966 1.00 -0.46 N ATOM 304 CA GLY A 22 10.350 8.084 7.619 1.00 0.04 C ATOM 305 C GLY A 22 10.073 6.931 6.676 1.00 0.62 C ATOM 306 O GLY A 22 11.003 6.574 5.970 1.00 -0.50 O ATOM 0 H GLY A 22 12.158 8.997 7.042 1.00 -0.46 H new ATOM 0 HA2 GLY A 22 10.876 7.718 8.501 1.00 0.04 H new ATOM 0 HA3 GLY A 22 9.408 8.510 7.964 1.00 0.04 H new ATOM 310 N PRO A 23 8.878 6.285 6.625 1.00 -0.23 N ATOM 311 CA PRO A 23 7.721 6.708 7.405 1.00 0.04 C ATOM 312 C PRO A 23 7.921 6.351 8.859 1.00 0.53 C ATOM 313 O PRO A 23 8.965 5.815 9.194 1.00 -0.50 O ATOM 314 CB PRO A 23 6.641 5.809 6.759 1.00 -0.12 C ATOM 315 CG PRO A 23 7.421 4.519 6.413 1.00 -0.12 C ATOM 316 CD PRO A 23 8.737 5.074 5.827 1.00 -0.01 C ATOM 0 HA PRO A 23 7.502 7.776 7.395 1.00 0.04 H new ATOM 0 HB2 PRO A 23 5.818 5.611 7.446 1.00 -0.12 H new ATOM 0 HB3 PRO A 23 6.211 6.271 5.870 1.00 -0.12 H new ATOM 0 HG2 PRO A 23 7.597 3.902 7.294 1.00 -0.12 H new ATOM 0 HG3 PRO A 23 6.885 3.901 5.693 1.00 -0.12 H new ATOM 0 HD2 PRO A 23 9.574 4.388 5.959 1.00 -0.01 H new ATOM 0 HD3 PRO A 23 8.662 5.284 4.760 1.00 -0.01 H new ATOM 324 N SER A 24 6.942 6.631 9.748 1.00 -0.46 N ATOM 325 CA SER A 24 7.138 6.295 11.159 1.00 0.04 C ATOM 326 C SER A 24 7.210 4.794 11.354 1.00 0.62 C ATOM 327 O SER A 24 6.764 4.050 10.493 1.00 -0.50 O ATOM 328 CB SER A 24 6.029 6.913 12.053 1.00 0.02 C ATOM 329 OG SER A 24 4.735 6.396 11.705 1.00 -0.55 O ATOM 0 H SER A 24 6.049 7.069 9.520 1.00 -0.46 H new ATOM 0 HA SER A 24 8.090 6.727 11.468 1.00 0.04 H new ATOM 0 HB2 SER A 24 6.240 6.698 13.100 1.00 0.02 H new ATOM 0 HB3 SER A 24 6.032 7.997 11.944 1.00 0.02 H new ATOM 0 HG SER A 24 4.055 6.800 12.284 1.00 -0.55 H new ATOM 335 N GLY A 25 7.774 4.327 12.493 1.00 -0.46 N ATOM 336 CA GLY A 25 7.938 2.888 12.700 1.00 0.04 C ATOM 337 C GLY A 25 6.661 2.113 12.476 1.00 0.62 C ATOM 338 O GLY A 25 6.715 1.055 11.870 1.00 -0.50 O ATOM 0 H GLY A 25 8.111 4.914 13.256 1.00 -0.46 H new ATOM 0 HA2 GLY A 25 8.707 2.514 12.024 1.00 0.04 H new ATOM 0 HA3 GLY A 25 8.292 2.710 13.716 1.00 0.04 H new ATOM 342 N GLN A 26 5.504 2.619 12.961 1.00 -0.46 N ATOM 343 CA GLN A 26 4.248 1.885 12.787 1.00 0.04 C ATOM 344 C GLN A 26 4.094 1.406 11.360 1.00 0.62 C ATOM 345 O GLN A 26 3.725 0.262 11.155 1.00 -0.50 O ATOM 346 CB GLN A 26 3.019 2.762 13.156 1.00 -0.10 C ATOM 347 CG GLN A 26 1.685 1.965 13.100 1.00 -0.10 C ATOM 348 CD GLN A 26 0.478 2.825 13.393 1.00 0.68 C ATOM 349 OE1 GLN A 26 0.610 4.026 13.564 1.00 -0.47 O ATOM 350 NE2 GLN A 26 -0.732 2.234 13.448 1.00 -0.87 N ATOM 0 H GLN A 26 5.422 3.505 13.460 1.00 -0.46 H new ATOM 0 HA GLN A 26 4.288 1.028 13.459 1.00 0.04 H new ATOM 0 HB2 GLN A 26 3.154 3.169 14.158 1.00 -0.10 H new ATOM 0 HB3 GLN A 26 2.962 3.609 12.473 1.00 -0.10 H new ATOM 0 HG2 GLN A 26 1.576 1.517 12.112 1.00 -0.10 H new ATOM 0 HG3 GLN A 26 1.725 1.146 13.818 1.00 -0.10 H new ATOM 0 HE21 GLN A 26 -0.815 1.228 13.301 1.00 -0.87 H new ATOM 0 HE22 GLN A 26 -1.564 2.793 13.636 1.00 -0.87 H new ATOM 359 N CYS A 27 4.376 2.254 10.346 1.00 -0.46 N ATOM 360 CA CYS A 27 4.276 1.776 8.968 1.00 0.04 C ATOM 361 C CYS A 27 5.359 0.757 8.690 1.00 0.62 C ATOM 362 O CYS A 27 5.054 -0.248 8.072 1.00 -0.50 O ATOM 363 CB CYS A 27 4.454 2.915 7.937 1.00 -0.10 C ATOM 364 SG CYS A 27 4.376 2.220 6.249 1.00 0.82 S ATOM 0 H CYS A 27 4.661 3.227 10.455 1.00 -0.46 H new ATOM 0 HA CYS A 27 3.280 1.344 8.866 1.00 0.04 H new ATOM 0 HB2 CYS A 27 3.675 3.666 8.070 1.00 -0.10 H new ATOM 0 HB3 CYS A 27 5.410 3.416 8.093 1.00 -0.10 H new ATOM 369 N CYS A 28 6.626 0.997 9.097 1.00 -0.46 N ATOM 370 CA CYS A 28 7.689 0.036 8.785 1.00 0.04 C ATOM 371 C CYS A 28 7.334 -1.325 9.346 1.00 0.62 C ATOM 372 O CYS A 28 7.562 -2.316 8.671 1.00 -0.50 O ATOM 373 CB CYS A 28 9.053 0.534 9.334 1.00 -0.10 C ATOM 374 SG CYS A 28 10.487 -0.477 8.825 1.00 0.82 S ATOM 0 H CYS A 28 6.923 1.819 9.623 1.00 -0.46 H new ATOM 0 HA CYS A 28 7.782 -0.053 7.703 1.00 0.04 H new ATOM 0 HB2 CYS A 28 9.211 1.560 9.002 1.00 -0.10 H new ATOM 0 HB3 CYS A 28 9.007 0.555 10.423 1.00 -0.10 H new ATOM 379 N ASP A 29 6.758 -1.398 10.566 1.00 -0.46 N ATOM 380 CA ASP A 29 6.218 -2.673 11.035 1.00 0.04 C ATOM 381 C ASP A 29 5.068 -3.055 10.125 1.00 0.62 C ATOM 382 O ASP A 29 5.048 -4.158 9.600 1.00 -0.50 O ATOM 383 CB ASP A 29 5.727 -2.582 12.504 1.00 -0.40 C ATOM 384 CG ASP A 29 5.060 -3.878 12.877 1.00 0.71 C ATOM 385 OD1 ASP A 29 3.867 -4.050 12.505 1.00 -0.72 O ATOM 386 OD2 ASP A 29 5.723 -4.732 13.522 1.00 -0.72 O ATOM 0 H ASP A 29 6.661 -0.617 11.215 1.00 -0.46 H new ATOM 0 HA ASP A 29 7.003 -3.428 11.007 1.00 0.04 H new ATOM 0 HB2 ASP A 29 6.567 -2.385 13.170 1.00 -0.40 H new ATOM 0 HB3 ASP A 29 5.029 -1.753 12.617 1.00 -0.40 H new ATOM 391 N GLY A 30 4.106 -2.127 9.919 1.00 -0.46 N ATOM 392 CA GLY A 30 2.967 -2.407 9.051 1.00 0.04 C ATOM 393 C GLY A 30 3.393 -3.081 7.772 1.00 0.62 C ATOM 394 O GLY A 30 2.727 -4.015 7.365 1.00 -0.50 O ATOM 0 H GLY A 30 4.105 -1.197 10.339 1.00 -0.46 H new ATOM 0 HA2 GLY A 30 2.256 -3.043 9.578 1.00 0.04 H new ATOM 0 HA3 GLY A 30 2.450 -1.476 8.817 1.00 0.04 H new ATOM 398 N VAL A 31 4.487 -2.645 7.111 1.00 -0.46 N ATOM 399 CA VAL A 31 4.913 -3.284 5.860 1.00 0.04 C ATOM 400 C VAL A 31 4.812 -4.793 5.979 1.00 0.62 C ATOM 401 O VAL A 31 4.380 -5.434 5.032 1.00 -0.50 O ATOM 402 CB VAL A 31 6.347 -2.825 5.455 1.00 -0.01 C ATOM 403 CG1 VAL A 31 6.945 -3.735 4.349 1.00 -0.09 C ATOM 404 CG2 VAL A 31 6.346 -1.344 4.963 1.00 -0.09 C ATOM 0 H VAL A 31 5.076 -1.871 7.418 1.00 -0.46 H new ATOM 0 HA VAL A 31 4.242 -2.968 5.061 1.00 0.04 H new ATOM 0 HB VAL A 31 6.968 -2.904 6.347 1.00 -0.01 H new ATOM 0 HG11 VAL A 31 7.945 -3.386 4.092 1.00 -0.09 H new ATOM 0 HG12 VAL A 31 7.002 -4.761 4.713 1.00 -0.09 H new ATOM 0 HG13 VAL A 31 6.309 -3.699 3.465 1.00 -0.09 H new ATOM 0 HG21 VAL A 31 7.359 -1.051 4.687 1.00 -0.09 H new ATOM 0 HG22 VAL A 31 5.692 -1.249 4.096 1.00 -0.09 H new ATOM 0 HG23 VAL A 31 5.986 -0.696 5.762 1.00 -0.09 H new ATOM 414 N LYS A 32 5.187 -5.377 7.139 1.00 -0.46 N ATOM 415 CA LYS A 32 5.028 -6.821 7.310 1.00 0.04 C ATOM 416 C LYS A 32 3.548 -7.149 7.400 1.00 0.62 C ATOM 417 O LYS A 32 3.049 -7.910 6.583 1.00 -0.50 O ATOM 418 CB LYS A 32 5.748 -7.376 8.576 1.00 -0.10 C ATOM 419 CG LYS A 32 7.301 -7.453 8.481 1.00 -0.16 C ATOM 420 CD LYS A 32 7.999 -6.072 8.338 1.00 -0.18 C ATOM 421 CE LYS A 32 9.552 -6.166 8.373 1.00 -0.04 C ATOM 422 NZ LYS A 32 10.096 -6.711 9.642 1.00 -0.14 N ATOM 0 H LYS A 32 5.586 -4.885 7.938 1.00 -0.46 H new ATOM 0 HA LYS A 32 5.491 -7.297 6.445 1.00 0.04 H new ATOM 0 HB2 LYS A 32 5.484 -6.749 9.428 1.00 -0.10 H new ATOM 0 HB3 LYS A 32 5.364 -8.375 8.783 1.00 -0.10 H new ATOM 0 HG2 LYS A 32 7.684 -7.951 9.372 1.00 -0.16 H new ATOM 0 HG3 LYS A 32 7.571 -8.074 7.627 1.00 -0.16 H new ATOM 0 HD2 LYS A 32 7.690 -5.611 7.400 1.00 -0.18 H new ATOM 0 HD3 LYS A 32 7.662 -5.417 9.141 1.00 -0.18 H new ATOM 0 HE2 LYS A 32 9.886 -6.794 7.547 1.00 -0.04 H new ATOM 0 HE3 LYS A 32 9.970 -5.173 8.208 1.00 -0.04 H new ATOM 0 HZ1 LYS A 32 11.135 -6.680 9.616 1.00 -0.14 H new ATOM 0 HZ2 LYS A 32 9.752 -6.140 10.441 1.00 -0.14 H new ATOM 0 HZ3 LYS A 32 9.782 -7.695 9.760 1.00 -0.14 H new ATOM 436 N ASN A 33 2.822 -6.594 8.398 1.00 -0.46 N ATOM 437 CA ASN A 33 1.420 -6.977 8.587 1.00 0.04 C ATOM 438 C ASN A 33 0.605 -6.626 7.357 1.00 0.62 C ATOM 439 O ASN A 33 -0.050 -7.496 6.808 1.00 -0.50 O ATOM 440 CB ASN A 33 0.812 -6.340 9.867 1.00 -0.09 C ATOM 441 CG ASN A 33 1.517 -6.874 11.093 1.00 0.68 C ATOM 442 OD1 ASN A 33 1.215 -7.987 11.492 1.00 -0.47 O ATOM 443 ND2 ASN A 33 2.458 -6.139 11.721 1.00 -0.87 N ATOM 0 H ASN A 33 3.176 -5.903 9.060 1.00 -0.46 H new ATOM 0 HA ASN A 33 1.387 -8.058 8.726 1.00 0.04 H new ATOM 0 HB2 ASN A 33 0.909 -5.255 9.825 1.00 -0.09 H new ATOM 0 HB3 ASN A 33 -0.253 -6.563 9.924 1.00 -0.09 H new ATOM 0 HD21 ASN A 33 2.931 -6.512 12.544 1.00 -0.87 H new ATOM 0 HD22 ASN A 33 2.697 -5.211 11.372 1.00 -0.87 H new ATOM 450 N LEU A 34 0.655 -5.353 6.908 1.00 -0.46 N ATOM 451 CA LEU A 34 -0.011 -4.924 5.675 1.00 0.04 C ATOM 452 C LEU A 34 -0.022 -6.018 4.623 1.00 0.62 C ATOM 453 O LEU A 34 -1.087 -6.335 4.116 1.00 -0.50 O ATOM 454 CB LEU A 34 0.687 -3.663 5.074 1.00 -0.06 C ATOM 455 CG LEU A 34 0.392 -2.324 5.830 1.00 -0.01 C ATOM 456 CD1 LEU A 34 1.450 -1.225 5.532 1.00 -0.11 C ATOM 457 CD2 LEU A 34 -1.011 -1.772 5.453 1.00 -0.11 C ATOM 0 H LEU A 34 1.155 -4.606 7.390 1.00 -0.46 H new ATOM 0 HA LEU A 34 -1.040 -4.687 5.947 1.00 0.04 H new ATOM 0 HB2 LEU A 34 1.764 -3.830 5.068 1.00 -0.06 H new ATOM 0 HB3 LEU A 34 0.375 -3.553 4.035 1.00 -0.06 H new ATOM 0 HG LEU A 34 0.431 -2.564 6.893 1.00 -0.01 H new ATOM 0 HD11 LEU A 34 1.197 -0.318 6.081 1.00 -0.11 H new ATOM 0 HD12 LEU A 34 2.435 -1.574 5.842 1.00 -0.11 H new ATOM 0 HD13 LEU A 34 1.461 -1.011 4.463 1.00 -0.11 H new ATOM 0 HD21 LEU A 34 -1.193 -0.842 5.991 1.00 -0.11 H new ATOM 0 HD22 LEU A 34 -1.052 -1.585 4.380 1.00 -0.11 H new ATOM 0 HD23 LEU A 34 -1.774 -2.502 5.723 1.00 -0.11 H new ATOM 469 N HIS A 35 1.142 -6.613 4.266 1.00 -0.46 N ATOM 470 CA HIS A 35 1.128 -7.642 3.221 1.00 0.04 C ATOM 471 C HIS A 35 0.445 -8.891 3.734 1.00 0.62 C ATOM 472 O HIS A 35 -0.354 -9.474 3.018 1.00 -0.50 O ATOM 473 CB HIS A 35 2.541 -8.052 2.724 1.00 -0.10 C ATOM 474 CG HIS A 35 3.461 -6.901 2.421 1.00 0.06 C ATOM 475 ND1 HIS A 35 3.156 -5.645 2.277 1.00 -0.06 N ATOM 476 CD2 HIS A 35 4.783 -6.991 2.254 1.00 -0.04 C ATOM 477 CE1 HIS A 35 4.211 -4.923 2.050 1.00 0.11 C ATOM 478 NE2 HIS A 35 5.192 -5.778 2.029 1.00 -0.06 N ATOM 0 H HIS A 35 2.056 -6.406 4.668 1.00 -0.46 H new ATOM 0 HA HIS A 35 0.592 -7.198 2.383 1.00 0.04 H new ATOM 0 HB2 HIS A 35 3.008 -8.683 3.480 1.00 -0.10 H new ATOM 0 HB3 HIS A 35 2.433 -8.659 1.825 1.00 -0.10 H new ATOM 0 HD2 HIS A 35 5.387 -7.886 2.297 1.00 -0.04 H new ATOM 0 HE1 HIS A 35 4.263 -3.853 1.910 1.00 0.11 H new ATOM 0 HE2 HIS A 35 6.165 -5.526 1.857 1.00 -0.06 H new ATOM 487 N ASN A 36 0.760 -9.324 4.977 1.00 -0.46 N ATOM 488 CA ASN A 36 0.119 -10.522 5.521 1.00 0.04 C ATOM 489 C ASN A 36 -1.387 -10.406 5.400 1.00 0.62 C ATOM 490 O ASN A 36 -2.024 -11.366 4.999 1.00 -0.50 O ATOM 491 CB ASN A 36 0.493 -10.749 7.012 1.00 -0.09 C ATOM 492 CG ASN A 36 -0.010 -12.062 7.561 1.00 0.68 C ATOM 493 OD1 ASN A 36 -0.475 -12.902 6.808 1.00 -0.47 O ATOM 494 ND2 ASN A 36 0.079 -12.277 8.889 1.00 -0.87 N ATOM 0 H ASN A 36 1.433 -8.873 5.597 1.00 -0.46 H new ATOM 0 HA ASN A 36 0.477 -11.374 4.943 1.00 0.04 H new ATOM 0 HB2 ASN A 36 1.577 -10.711 7.117 1.00 -0.09 H new ATOM 0 HB3 ASN A 36 0.086 -9.933 7.610 1.00 -0.09 H new ATOM 0 HD21 ASN A 36 -0.247 -13.158 9.286 1.00 -0.87 H new ATOM 0 HD22 ASN A 36 0.472 -11.558 9.497 1.00 -0.87 H new ATOM 501 N GLN A 37 -1.962 -9.221 5.720 1.00 -0.46 N ATOM 502 CA GLN A 37 -3.409 -9.015 5.586 1.00 0.04 C ATOM 503 C GLN A 37 -3.819 -8.529 4.204 1.00 0.62 C ATOM 504 O GLN A 37 -4.776 -7.779 4.095 1.00 -0.50 O ATOM 505 CB GLN A 37 -3.961 -8.134 6.747 1.00 -0.10 C ATOM 506 CG GLN A 37 -3.506 -6.649 6.701 1.00 -0.10 C ATOM 507 CD GLN A 37 -4.044 -5.842 7.855 1.00 0.68 C ATOM 508 OE1 GLN A 37 -4.619 -6.391 8.781 1.00 -0.47 O ATOM 509 NE2 GLN A 37 -3.855 -4.509 7.838 1.00 -0.87 N ATOM 0 H GLN A 37 -1.448 -8.411 6.066 1.00 -0.46 H new ATOM 0 HA GLN A 37 -3.884 -9.991 5.681 1.00 0.04 H new ATOM 0 HB2 GLN A 37 -5.050 -8.168 6.726 1.00 -0.10 H new ATOM 0 HB3 GLN A 37 -3.647 -8.568 7.696 1.00 -0.10 H new ATOM 0 HG2 GLN A 37 -2.417 -6.606 6.709 1.00 -0.10 H new ATOM 0 HG3 GLN A 37 -3.836 -6.201 5.764 1.00 -0.10 H new ATOM 0 HE21 GLN A 37 -3.371 -4.072 7.053 1.00 -0.87 H new ATOM 0 HE22 GLN A 37 -4.195 -3.936 8.610 1.00 -0.87 H new ATOM 518 N ALA A 38 -3.120 -8.966 3.130 1.00 -0.46 N ATOM 519 CA ALA A 38 -3.559 -8.686 1.762 1.00 0.04 C ATOM 520 C ALA A 38 -3.208 -9.895 0.919 1.00 0.62 C ATOM 521 O ALA A 38 -2.492 -9.787 -0.065 1.00 -0.50 O ATOM 522 CB ALA A 38 -2.870 -7.402 1.258 1.00 -0.10 C ATOM 0 H ALA A 38 -2.258 -9.508 3.193 1.00 -0.46 H new ATOM 0 HA ALA A 38 -4.634 -8.514 1.706 1.00 0.04 H new ATOM 0 HB1 ALA A 38 -3.195 -7.191 0.239 1.00 -0.10 H new ATOM 0 HB2 ALA A 38 -3.139 -6.567 1.905 1.00 -0.10 H new ATOM 0 HB3 ALA A 38 -1.789 -7.539 1.273 1.00 -0.10 H new ATOM 528 N ARG A 39 -3.708 -11.070 1.365 1.00 -0.46 N ATOM 529 CA ARG A 39 -3.280 -12.358 0.809 1.00 0.04 C ATOM 530 C ARG A 39 -4.424 -13.228 0.311 1.00 0.62 C ATOM 531 O ARG A 39 -4.249 -13.900 -0.693 1.00 -0.50 O ATOM 532 CB ARG A 39 -2.521 -13.034 1.985 1.00 -0.08 C ATOM 533 CG ARG A 39 -1.658 -14.271 1.600 1.00 -0.10 C ATOM 534 CD ARG A 39 -0.325 -13.930 0.867 1.00 -0.23 C ATOM 535 NE ARG A 39 0.609 -13.141 1.685 1.00 -0.32 N ATOM 536 CZ ARG A 39 1.783 -12.722 1.263 1.00 0.76 C ATOM 537 NH1 ARG A 39 2.251 -13.006 0.073 1.00 -0.62 N ATOM 538 NH2 ARG A 39 2.527 -11.993 2.058 1.00 -0.62 N ATOM 0 H ARG A 39 -4.405 -11.145 2.106 1.00 -0.46 H new ATOM 0 HA ARG A 39 -2.668 -12.216 -0.082 1.00 0.04 H new ATOM 0 HB2 ARG A 39 -1.873 -12.292 2.452 1.00 -0.08 H new ATOM 0 HB3 ARG A 39 -3.249 -13.340 2.737 1.00 -0.08 H new ATOM 0 HG2 ARG A 39 -1.426 -14.832 2.505 1.00 -0.10 H new ATOM 0 HG3 ARG A 39 -2.251 -14.927 0.962 1.00 -0.10 H new ATOM 0 HD2 ARG A 39 0.162 -14.857 0.566 1.00 -0.23 H new ATOM 0 HD3 ARG A 39 -0.552 -13.378 -0.045 1.00 -0.23 H new ATOM 0 HE ARG A 39 0.330 -12.904 2.637 1.00 -0.32 H new ATOM 0 HH11 ARG A 39 1.699 -13.574 -0.570 1.00 -0.62 H new ATOM 0 HH12 ARG A 39 3.167 -12.659 -0.211 1.00 -0.62 H new ATOM 0 HH21 ARG A 39 2.194 -11.756 2.993 1.00 -0.62 H new ATOM 0 HH22 ARG A 39 3.439 -11.662 1.742 1.00 -0.62 H new ATOM 552 N SER A 40 -5.602 -13.257 0.975 1.00 -0.46 N ATOM 553 CA SER A 40 -6.725 -14.061 0.484 1.00 0.04 C ATOM 554 C SER A 40 -7.345 -13.454 -0.756 1.00 0.62 C ATOM 555 O SER A 40 -7.153 -12.278 -1.015 1.00 -0.50 O ATOM 556 CB SER A 40 -7.798 -14.178 1.605 1.00 0.02 C ATOM 557 OG SER A 40 -8.940 -14.968 1.230 1.00 -0.55 O ATOM 0 H SER A 40 -5.790 -12.741 1.835 1.00 -0.46 H new ATOM 0 HA SER A 40 -6.349 -15.049 0.217 1.00 0.04 H new ATOM 0 HB2 SER A 40 -7.339 -14.616 2.491 1.00 0.02 H new ATOM 0 HB3 SER A 40 -8.133 -13.178 1.881 1.00 0.02 H new ATOM 0 HG SER A 40 -9.573 -15.003 1.977 1.00 -0.55 H new ATOM 563 N GLN A 41 -8.126 -14.224 -1.547 1.00 -0.46 N ATOM 564 CA GLN A 41 -8.854 -13.631 -2.675 1.00 0.04 C ATOM 565 C GLN A 41 -10.033 -12.838 -2.137 1.00 0.62 C ATOM 566 O GLN A 41 -11.171 -13.208 -2.375 1.00 -0.50 O ATOM 567 CB GLN A 41 -9.302 -14.742 -3.669 1.00 -0.10 C ATOM 568 CG GLN A 41 -8.085 -15.445 -4.334 1.00 -0.10 C ATOM 569 CD GLN A 41 -8.469 -16.745 -5.002 1.00 0.68 C ATOM 570 OE1 GLN A 41 -7.921 -17.778 -4.651 1.00 -0.47 O ATOM 571 NE2 GLN A 41 -9.405 -16.750 -5.973 1.00 -0.87 N ATOM 0 H GLN A 41 -8.262 -15.228 -1.426 1.00 -0.46 H new ATOM 0 HA GLN A 41 -8.206 -12.951 -3.228 1.00 0.04 H new ATOM 0 HB2 GLN A 41 -9.905 -15.481 -3.141 1.00 -0.10 H new ATOM 0 HB3 GLN A 41 -9.936 -14.306 -4.441 1.00 -0.10 H new ATOM 0 HG2 GLN A 41 -7.641 -14.777 -5.072 1.00 -0.10 H new ATOM 0 HG3 GLN A 41 -7.323 -15.638 -3.579 1.00 -0.10 H new ATOM 0 HE21 GLN A 41 -9.853 -15.878 -6.254 1.00 -0.87 H new ATOM 0 HE22 GLN A 41 -9.665 -17.626 -6.426 1.00 -0.87 H new ATOM 580 N SER A 42 -9.771 -11.735 -1.398 1.00 -0.46 N ATOM 581 CA SER A 42 -10.843 -10.945 -0.783 1.00 0.04 C ATOM 582 C SER A 42 -10.267 -9.696 -0.140 1.00 0.62 C ATOM 583 O SER A 42 -10.625 -8.597 -0.536 1.00 -0.50 O ATOM 584 CB SER A 42 -11.621 -11.761 0.283 1.00 0.02 C ATOM 585 OG SER A 42 -12.490 -10.903 1.042 1.00 -0.55 O ATOM 0 H SER A 42 -8.832 -11.381 -1.219 1.00 -0.46 H new ATOM 0 HA SER A 42 -11.540 -10.668 -1.574 1.00 0.04 H new ATOM 0 HB2 SER A 42 -12.206 -12.541 -0.204 1.00 0.02 H new ATOM 0 HB3 SER A 42 -10.919 -12.259 0.951 1.00 0.02 H new ATOM 0 HG SER A 42 -12.974 -11.434 1.708 1.00 -0.55 H new ATOM 591 N ASP A 43 -9.339 -9.841 0.834 1.00 -0.46 N ATOM 592 CA ASP A 43 -8.607 -8.676 1.329 1.00 0.04 C ATOM 593 C ASP A 43 -7.831 -8.095 0.163 1.00 0.62 C ATOM 594 O ASP A 43 -7.853 -6.891 -0.027 1.00 -0.50 O ATOM 595 CB ASP A 43 -7.687 -9.057 2.525 1.00 -0.40 C ATOM 596 CG ASP A 43 -6.748 -10.195 2.236 1.00 0.71 C ATOM 597 OD1 ASP A 43 -6.905 -10.842 1.170 1.00 -0.72 O ATOM 598 OD2 ASP A 43 -5.840 -10.473 3.065 1.00 -0.72 O ATOM 0 H ASP A 43 -9.092 -10.727 1.274 1.00 -0.46 H new ATOM 0 HA ASP A 43 -9.295 -7.924 1.716 1.00 0.04 H new ATOM 0 HB2 ASP A 43 -7.104 -8.183 2.814 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 -8.310 -9.322 3.379 1.00 -0.40 H new ATOM 603 N ARG A 44 -7.166 -8.939 -0.659 1.00 -0.46 N ATOM 604 CA ARG A 44 -6.536 -8.444 -1.885 1.00 0.04 C ATOM 605 C ARG A 44 -7.540 -7.644 -2.698 1.00 0.62 C ATOM 606 O ARG A 44 -7.231 -6.549 -3.143 1.00 -0.50 O ATOM 607 CB ARG A 44 -6.047 -9.606 -2.801 1.00 -0.08 C ATOM 608 CG ARG A 44 -4.881 -10.446 -2.204 1.00 -0.10 C ATOM 609 CD ARG A 44 -4.610 -11.709 -3.066 1.00 -0.23 C ATOM 610 NE ARG A 44 -4.268 -11.371 -4.452 1.00 -0.32 N ATOM 611 CZ ARG A 44 -3.045 -11.304 -4.939 1.00 0.76 C ATOM 612 NH1 ARG A 44 -1.960 -11.432 -4.218 1.00 -0.62 N ATOM 613 NH2 ARG A 44 -2.904 -11.099 -6.227 1.00 -0.62 N ATOM 0 H ARG A 44 -7.058 -9.940 -0.494 1.00 -0.46 H new ATOM 0 HA ARG A 44 -5.687 -7.835 -1.573 1.00 0.04 H new ATOM 0 HB2 ARG A 44 -6.888 -10.268 -3.007 1.00 -0.08 H new ATOM 0 HB3 ARG A 44 -5.727 -9.190 -3.756 1.00 -0.08 H new ATOM 0 HG2 ARG A 44 -3.979 -9.837 -2.151 1.00 -0.10 H new ATOM 0 HG3 ARG A 44 -5.126 -10.743 -1.184 1.00 -0.10 H new ATOM 0 HD2 ARG A 44 -3.796 -12.282 -2.622 1.00 -0.23 H new ATOM 0 HD3 ARG A 44 -5.492 -12.349 -3.057 1.00 -0.23 H new ATOM 0 HE ARG A 44 -5.038 -11.172 -5.090 1.00 -0.32 H new ATOM 0 HH11 ARG A 44 -2.031 -11.595 -3.214 1.00 -0.62 H new ATOM 0 HH12 ARG A 44 -1.043 -11.369 -4.661 1.00 -0.62 H new ATOM 0 HH21 ARG A 44 -3.727 -10.997 -6.820 1.00 -0.62 H new ATOM 0 HH22 ARG A 44 -1.971 -11.042 -6.635 1.00 -0.62 H new ATOM 627 N GLN A 45 -8.758 -8.195 -2.914 1.00 -0.46 N ATOM 628 CA GLN A 45 -9.741 -7.518 -3.763 1.00 0.04 C ATOM 629 C GLN A 45 -10.103 -6.169 -3.176 1.00 0.62 C ATOM 630 O GLN A 45 -10.030 -5.160 -3.862 1.00 -0.50 O ATOM 631 CB GLN A 45 -11.034 -8.374 -3.929 1.00 -0.10 C ATOM 632 CG GLN A 45 -11.934 -7.865 -5.091 1.00 -0.10 C ATOM 633 CD GLN A 45 -11.401 -8.232 -6.456 1.00 0.68 C ATOM 634 OE1 GLN A 45 -10.539 -9.088 -6.560 1.00 -0.47 O ATOM 635 NE2 GLN A 45 -11.905 -7.615 -7.543 1.00 -0.87 N ATOM 0 H GLN A 45 -9.069 -9.083 -2.520 1.00 -0.46 H new ATOM 0 HA GLN A 45 -9.288 -7.380 -4.745 1.00 0.04 H new ATOM 0 HB2 GLN A 45 -10.758 -9.412 -4.114 1.00 -0.10 H new ATOM 0 HB3 GLN A 45 -11.601 -8.356 -2.998 1.00 -0.10 H new ATOM 0 HG2 GLN A 45 -12.936 -8.279 -4.975 1.00 -0.10 H new ATOM 0 HG3 GLN A 45 -12.027 -6.781 -5.023 1.00 -0.10 H new ATOM 0 HE21 GLN A 45 -12.626 -6.901 -7.436 1.00 -0.87 H new ATOM 0 HE22 GLN A 45 -11.566 -7.862 -8.473 1.00 -0.87 H new ATOM 644 N SER A 46 -10.508 -6.149 -1.886 1.00 -0.46 N ATOM 645 CA SER A 46 -10.941 -4.898 -1.264 1.00 0.04 C ATOM 646 C SER A 46 -9.787 -3.928 -1.225 1.00 0.62 C ATOM 647 O SER A 46 -9.957 -2.767 -1.564 1.00 -0.50 O ATOM 648 CB SER A 46 -11.429 -5.117 0.194 1.00 0.02 C ATOM 649 OG SER A 46 -12.655 -5.866 0.238 1.00 -0.55 O ATOM 0 H SER A 46 -10.541 -6.967 -1.277 1.00 -0.46 H new ATOM 0 HA SER A 46 -11.766 -4.508 -1.860 1.00 0.04 H new ATOM 0 HB2 SER A 46 -10.660 -5.644 0.760 1.00 0.02 H new ATOM 0 HB3 SER A 46 -11.575 -4.151 0.678 1.00 0.02 H new ATOM 0 HG SER A 46 -12.932 -5.986 1.170 1.00 -0.55 H new ATOM 655 N ALA A 47 -8.598 -4.401 -0.799 1.00 -0.46 N ATOM 656 CA ALA A 47 -7.456 -3.504 -0.704 1.00 0.04 C ATOM 657 C ALA A 47 -7.139 -2.897 -2.043 1.00 0.62 C ATOM 658 O ALA A 47 -6.989 -1.689 -2.123 1.00 -0.50 O ATOM 659 CB ALA A 47 -6.201 -4.206 -0.136 1.00 -0.10 C ATOM 0 H ALA A 47 -8.418 -5.367 -0.526 1.00 -0.46 H new ATOM 0 HA ALA A 47 -7.738 -2.714 -0.007 1.00 0.04 H new ATOM 0 HB1 ALA A 47 -5.377 -3.494 -0.085 1.00 -0.10 H new ATOM 0 HB2 ALA A 47 -6.416 -4.583 0.864 1.00 -0.10 H new ATOM 0 HB3 ALA A 47 -5.923 -5.036 -0.785 1.00 -0.10 H new ATOM 665 N CYS A 48 -7.037 -3.696 -3.123 1.00 -0.46 N ATOM 666 CA CYS A 48 -6.702 -3.094 -4.411 1.00 0.04 C ATOM 667 C CYS A 48 -7.731 -2.034 -4.757 1.00 0.62 C ATOM 668 O CYS A 48 -7.361 -0.989 -5.269 1.00 -0.50 O ATOM 669 CB CYS A 48 -6.584 -4.178 -5.514 1.00 -0.10 C ATOM 670 SG CYS A 48 -5.558 -3.582 -6.898 1.00 0.82 S ATOM 0 H CYS A 48 -7.175 -4.707 -3.127 1.00 -0.46 H new ATOM 0 HA CYS A 48 -5.727 -2.611 -4.344 1.00 0.04 H new ATOM 0 HB2 CYS A 48 -6.147 -5.084 -5.095 1.00 -0.10 H new ATOM 0 HB3 CYS A 48 -7.577 -4.442 -5.878 1.00 -0.10 H new ATOM 675 N ASN A 49 -9.034 -2.275 -4.488 1.00 -0.46 N ATOM 676 CA ASN A 49 -10.041 -1.254 -4.791 1.00 0.04 C ATOM 677 C ASN A 49 -9.864 -0.032 -3.907 1.00 0.62 C ATOM 678 O ASN A 49 -9.686 1.057 -4.431 1.00 -0.50 O ATOM 679 CB ASN A 49 -11.473 -1.842 -4.664 1.00 -0.09 C ATOM 680 CG ASN A 49 -11.693 -3.011 -5.596 1.00 0.68 C ATOM 681 OD1 ASN A 49 -10.852 -3.295 -6.434 1.00 -0.47 O ATOM 682 ND2 ASN A 49 -12.835 -3.717 -5.481 1.00 -0.87 N ATOM 0 H ASN A 49 -9.396 -3.136 -4.077 1.00 -0.46 H new ATOM 0 HA ASN A 49 -9.901 -0.933 -5.823 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -11.643 -2.162 -3.636 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -12.204 -1.064 -4.881 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -13.011 -4.507 -6.102 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -13.524 -3.461 -4.773 1.00 -0.87 H new ATOM 689 N CYS A 50 -9.897 -0.179 -2.561 1.00 -0.46 N ATOM 690 CA CYS A 50 -9.680 0.979 -1.686 1.00 0.04 C ATOM 691 C CYS A 50 -8.415 1.706 -2.091 1.00 0.62 C ATOM 692 O CYS A 50 -8.403 2.926 -2.128 1.00 -0.50 O ATOM 693 CB CYS A 50 -9.502 0.554 -0.201 1.00 -0.10 C ATOM 694 SG CYS A 50 -11.070 -0.043 0.511 1.00 0.82 S ATOM 0 H CYS A 50 -10.067 -1.061 -2.077 1.00 -0.46 H new ATOM 0 HA CYS A 50 -10.558 1.617 -1.786 1.00 0.04 H new ATOM 0 HB2 CYS A 50 -8.748 -0.230 -0.133 1.00 -0.10 H new ATOM 0 HB3 CYS A 50 -9.135 1.400 0.380 1.00 -0.10 H new ATOM 699 N LEU A 51 -7.337 0.952 -2.392 1.00 -0.46 N ATOM 700 CA LEU A 51 -6.049 1.573 -2.685 1.00 0.04 C ATOM 701 C LEU A 51 -6.161 2.635 -3.749 1.00 0.62 C ATOM 702 O LEU A 51 -5.598 3.703 -3.568 1.00 -0.50 O ATOM 703 CB LEU A 51 -5.026 0.504 -3.154 1.00 -0.06 C ATOM 704 CG LEU A 51 -3.608 1.051 -3.489 1.00 -0.01 C ATOM 705 CD1 LEU A 51 -3.004 1.805 -2.277 1.00 -0.11 C ATOM 706 CD2 LEU A 51 -2.707 -0.151 -3.881 1.00 -0.11 C ATOM 0 H LEU A 51 -7.341 -0.067 -2.436 1.00 -0.46 H new ATOM 0 HA LEU A 51 -5.709 2.042 -1.762 1.00 0.04 H new ATOM 0 HB2 LEU A 51 -4.932 -0.253 -2.375 1.00 -0.06 H new ATOM 0 HB3 LEU A 51 -5.424 0.005 -4.037 1.00 -0.06 H new ATOM 0 HG LEU A 51 -3.673 1.760 -4.315 1.00 -0.01 H new ATOM 0 HD11 LEU A 51 -2.013 2.177 -2.537 1.00 -0.11 H new ATOM 0 HD12 LEU A 51 -3.648 2.643 -2.012 1.00 -0.11 H new ATOM 0 HD13 LEU A 51 -2.925 1.126 -1.428 1.00 -0.11 H new ATOM 0 HD21 LEU A 51 -1.706 0.208 -4.121 1.00 -0.11 H new ATOM 0 HD22 LEU A 51 -2.652 -0.851 -3.048 1.00 -0.11 H new ATOM 0 HD23 LEU A 51 -3.130 -0.654 -4.750 1.00 -0.11 H new ATOM 718 N LYS A 52 -6.874 2.389 -4.871 1.00 -0.46 N ATOM 719 CA LYS A 52 -6.983 3.450 -5.872 1.00 0.04 C ATOM 720 C LYS A 52 -7.687 4.632 -5.243 1.00 0.62 C ATOM 721 O LYS A 52 -7.225 5.754 -5.381 1.00 -0.50 O ATOM 722 CB LYS A 52 -7.662 3.014 -7.202 1.00 -0.10 C ATOM 723 CG LYS A 52 -6.821 1.913 -7.908 1.00 -0.16 C ATOM 724 CD LYS A 52 -7.227 1.623 -9.383 1.00 -0.18 C ATOM 725 CE LYS A 52 -6.719 2.662 -10.428 1.00 -0.04 C ATOM 726 NZ LYS A 52 -5.254 2.617 -10.674 1.00 -0.14 N ATOM 0 H LYS A 52 -7.353 1.516 -5.091 1.00 -0.46 H new ATOM 0 HA LYS A 52 -5.972 3.724 -6.172 1.00 0.04 H new ATOM 0 HB2 LYS A 52 -8.665 2.639 -6.999 1.00 -0.10 H new ATOM 0 HB3 LYS A 52 -7.771 3.875 -7.861 1.00 -0.10 H new ATOM 0 HG2 LYS A 52 -5.772 2.208 -7.887 1.00 -0.16 H new ATOM 0 HG3 LYS A 52 -6.904 0.989 -7.335 1.00 -0.16 H new ATOM 0 HD2 LYS A 52 -6.849 0.639 -9.660 1.00 -0.18 H new ATOM 0 HD3 LYS A 52 -8.314 1.575 -9.441 1.00 -0.18 H new ATOM 0 HE2 LYS A 52 -7.239 2.495 -11.371 1.00 -0.04 H new ATOM 0 HE3 LYS A 52 -6.988 3.662 -10.089 1.00 -0.04 H new ATOM 0 HZ1 LYS A 52 -4.948 3.510 -11.110 1.00 -0.14 H new ATOM 0 HZ2 LYS A 52 -4.754 2.483 -9.772 1.00 -0.14 H new ATOM 0 HZ3 LYS A 52 -5.033 1.826 -11.312 1.00 -0.14 H new ATOM 740 N GLY A 53 -8.803 4.396 -4.518 1.00 -0.46 N ATOM 741 CA GLY A 53 -9.464 5.507 -3.836 1.00 0.04 C ATOM 742 C GLY A 53 -8.518 6.261 -2.927 1.00 0.62 C ATOM 743 O GLY A 53 -8.575 7.480 -2.901 1.00 -0.50 O ATOM 0 H GLY A 53 -9.243 3.483 -4.398 1.00 -0.46 H new ATOM 0 HA2 GLY A 53 -9.877 6.192 -4.576 1.00 0.04 H new ATOM 0 HA3 GLY A 53 -10.301 5.126 -3.251 1.00 0.04 H new ATOM 747 N ILE A 54 -7.651 5.559 -2.159 1.00 -0.46 N ATOM 748 CA ILE A 54 -6.769 6.249 -1.214 1.00 0.04 C ATOM 749 C ILE A 54 -5.562 6.802 -1.947 1.00 0.62 C ATOM 750 O ILE A 54 -5.385 8.009 -1.993 1.00 -0.50 O ATOM 751 CB ILE A 54 -6.331 5.333 -0.025 1.00 -0.01 C ATOM 752 CG1 ILE A 54 -7.569 4.810 0.771 1.00 -0.05 C ATOM 753 CG2 ILE A 54 -5.348 6.103 0.907 1.00 -0.09 C ATOM 754 CD1 ILE A 54 -7.242 3.621 1.718 1.00 -0.09 C ATOM 0 H ILE A 54 -7.551 4.544 -2.179 1.00 -0.46 H new ATOM 0 HA ILE A 54 -7.333 7.073 -0.776 1.00 0.04 H new ATOM 0 HB ILE A 54 -5.815 4.463 -0.431 1.00 -0.01 H new ATOM 0 HG12 ILE A 54 -7.985 5.628 1.359 1.00 -0.05 H new ATOM 0 HG13 ILE A 54 -8.340 4.500 0.065 1.00 -0.05 H new ATOM 0 HG21 ILE A 54 -5.048 5.457 1.732 1.00 -0.09 H new ATOM 0 HG22 ILE A 54 -4.466 6.400 0.340 1.00 -0.09 H new ATOM 0 HG23 ILE A 54 -5.841 6.991 1.302 1.00 -0.09 H new ATOM 0 HD11 ILE A 54 -8.148 3.310 2.238 1.00 -0.09 H new ATOM 0 HD12 ILE A 54 -6.854 2.786 1.134 1.00 -0.09 H new ATOM 0 HD13 ILE A 54 -6.494 3.932 2.447 1.00 -0.09 H new ATOM 766 N ALA A 55 -4.693 5.935 -2.512 1.00 -0.46 N ATOM 767 CA ALA A 55 -3.419 6.407 -3.052 1.00 0.04 C ATOM 768 C ALA A 55 -3.585 7.115 -4.378 1.00 0.62 C ATOM 769 O ALA A 55 -3.139 8.244 -4.503 1.00 -0.50 O ATOM 770 CB ALA A 55 -2.430 5.227 -3.233 1.00 -0.10 C ATOM 0 H ALA A 55 -4.853 4.931 -2.601 1.00 -0.46 H new ATOM 0 HA ALA A 55 -3.022 7.120 -2.329 1.00 0.04 H new ATOM 0 HB1 ALA A 55 -1.488 5.600 -3.636 1.00 -0.10 H new ATOM 0 HB2 ALA A 55 -2.249 4.752 -2.269 1.00 -0.10 H new ATOM 0 HB3 ALA A 55 -2.856 4.498 -3.922 1.00 -0.10 H new ATOM 776 N ARG A 56 -4.209 6.473 -5.392 1.00 -0.46 N ATOM 777 CA ARG A 56 -4.300 7.111 -6.709 1.00 0.04 C ATOM 778 C ARG A 56 -5.033 8.422 -6.536 1.00 0.62 C ATOM 779 O ARG A 56 -4.578 9.436 -7.042 1.00 -0.50 O ATOM 780 CB ARG A 56 -4.954 6.174 -7.771 1.00 -0.08 C ATOM 781 CG ARG A 56 -4.711 6.587 -9.254 1.00 -0.10 C ATOM 782 CD ARG A 56 -5.617 7.741 -9.762 1.00 -0.23 C ATOM 783 NE ARG A 56 -5.252 8.068 -11.149 1.00 -0.32 N ATOM 784 CZ ARG A 56 -5.681 7.424 -12.215 1.00 0.76 C ATOM 785 NH1 ARG A 56 -6.490 6.395 -12.163 1.00 -0.62 N ATOM 786 NH2 ARG A 56 -5.280 7.826 -13.397 1.00 -0.62 N ATOM 0 H ARG A 56 -4.639 5.551 -5.323 1.00 -0.46 H new ATOM 0 HA ARG A 56 -3.303 7.311 -7.102 1.00 0.04 H new ATOM 0 HB2 ARG A 56 -4.574 5.163 -7.624 1.00 -0.08 H new ATOM 0 HB3 ARG A 56 -6.028 6.140 -7.591 1.00 -0.08 H new ATOM 0 HG2 ARG A 56 -3.669 6.884 -9.368 1.00 -0.10 H new ATOM 0 HG3 ARG A 56 -4.865 5.715 -9.890 1.00 -0.10 H new ATOM 0 HD2 ARG A 56 -6.665 7.447 -9.709 1.00 -0.23 H new ATOM 0 HD3 ARG A 56 -5.500 8.618 -9.126 1.00 -0.23 H new ATOM 0 HE ARG A 56 -4.618 8.853 -11.297 1.00 -0.32 H new ATOM 0 HH11 ARG A 56 -6.822 6.052 -11.261 1.00 -0.62 H new ATOM 0 HH12 ARG A 56 -6.788 5.937 -13.024 1.00 -0.62 H new ATOM 0 HH21 ARG A 56 -4.648 8.623 -13.477 1.00 -0.62 H new ATOM 0 HH22 ARG A 56 -5.600 7.342 -14.236 1.00 -0.62 H new ATOM 800 N GLY A 57 -6.166 8.430 -5.797 1.00 -0.46 N ATOM 801 CA GLY A 57 -6.870 9.688 -5.551 1.00 0.04 C ATOM 802 C GLY A 57 -5.934 10.809 -5.152 1.00 0.62 C ATOM 803 O GLY A 57 -6.064 11.909 -5.673 1.00 -0.50 O ATOM 0 H GLY A 57 -6.593 7.604 -5.377 1.00 -0.46 H new ATOM 0 HA2 GLY A 57 -7.415 9.977 -6.450 1.00 0.04 H new ATOM 0 HA3 GLY A 57 -7.609 9.539 -4.764 1.00 0.04 H new ATOM 807 N ILE A 58 -4.974 10.561 -4.230 1.00 -0.46 N ATOM 808 CA ILE A 58 -4.034 11.623 -3.862 1.00 0.04 C ATOM 809 C ILE A 58 -3.219 11.930 -5.101 1.00 0.62 C ATOM 810 O ILE A 58 -2.640 11.014 -5.661 1.00 -0.50 O ATOM 811 CB ILE A 58 -3.095 11.256 -2.676 1.00 -0.01 C ATOM 812 CG1 ILE A 58 -3.915 11.000 -1.373 1.00 -0.05 C ATOM 813 CG2 ILE A 58 -2.024 12.368 -2.454 1.00 -0.09 C ATOM 814 CD1 ILE A 58 -3.153 10.121 -0.346 1.00 -0.09 C ATOM 0 H ILE A 58 -4.839 9.671 -3.750 1.00 -0.46 H new ATOM 0 HA ILE A 58 -4.602 12.485 -3.512 1.00 0.04 H new ATOM 0 HB ILE A 58 -2.575 10.332 -2.929 1.00 -0.01 H new ATOM 0 HG12 ILE A 58 -4.164 11.956 -0.912 1.00 -0.05 H new ATOM 0 HG13 ILE A 58 -4.857 10.516 -1.631 1.00 -0.05 H new ATOM 0 HG21 ILE A 58 -1.379 12.091 -1.620 1.00 -0.09 H new ATOM 0 HG22 ILE A 58 -1.423 12.480 -3.356 1.00 -0.09 H new ATOM 0 HG23 ILE A 58 -2.521 13.312 -2.230 1.00 -0.09 H new ATOM 0 HD11 ILE A 58 -3.772 9.977 0.540 1.00 -0.09 H new ATOM 0 HD12 ILE A 58 -2.927 9.153 -0.793 1.00 -0.09 H new ATOM 0 HD13 ILE A 58 -2.224 10.615 -0.063 1.00 -0.09 H new ATOM 826 N HIS A 59 -3.163 13.201 -5.560 1.00 -0.46 N ATOM 827 CA HIS A 59 -2.479 13.495 -6.820 1.00 0.04 C ATOM 828 C HIS A 59 -0.988 13.611 -6.586 1.00 0.62 C ATOM 829 O HIS A 59 -0.222 12.922 -7.240 1.00 -0.50 O ATOM 830 CB HIS A 59 -3.034 14.796 -7.461 1.00 -0.10 C ATOM 831 CG HIS A 59 -4.440 14.648 -7.996 1.00 0.06 C ATOM 832 ND1 HIS A 59 -5.400 13.893 -7.540 1.00 -0.06 N ATOM 833 CD2 HIS A 59 -4.945 15.288 -9.057 1.00 -0.04 C ATOM 834 CE1 HIS A 59 -6.487 14.012 -8.243 1.00 0.11 C ATOM 835 NE2 HIS A 59 -6.174 14.875 -9.164 1.00 -0.06 N ATOM 0 H HIS A 59 -3.571 14.008 -5.089 1.00 -0.46 H new ATOM 0 HA HIS A 59 -2.663 12.674 -7.513 1.00 0.04 H new ATOM 0 HB2 HIS A 59 -3.018 15.594 -6.719 1.00 -0.10 H new ATOM 0 HB3 HIS A 59 -2.374 15.102 -8.273 1.00 -0.10 H new ATOM 0 HD1 HIS A 59 -5.309 13.282 -6.728 1.00 -0.06 H new ATOM 0 HD2 HIS A 59 -4.438 15.999 -9.692 1.00 -0.04 H new ATOM 0 HE1 HIS A 59 -7.432 13.510 -8.096 1.00 0.11 H new ATOM 844 N ASN A 60 -0.550 14.489 -5.656 1.00 -0.46 N ATOM 845 CA ASN A 60 0.885 14.663 -5.426 1.00 0.04 C ATOM 846 C ASN A 60 1.412 13.498 -4.615 1.00 0.62 C ATOM 847 O ASN A 60 1.636 13.660 -3.426 1.00 -0.50 O ATOM 848 CB ASN A 60 1.140 16.030 -4.735 1.00 -0.09 C ATOM 849 CG ASN A 60 0.594 17.133 -5.609 1.00 0.68 C ATOM 850 OD1 ASN A 60 -0.485 17.632 -5.334 1.00 -0.47 O ATOM 851 ND2 ASN A 60 1.304 17.530 -6.684 1.00 -0.87 N ATOM 0 H ASN A 60 -1.155 15.068 -5.073 1.00 -0.46 H new ATOM 0 HA ASN A 60 1.424 14.672 -6.374 1.00 0.04 H new ATOM 0 HB2 ASN A 60 0.660 16.053 -3.757 1.00 -0.09 H new ATOM 0 HB3 ASN A 60 2.208 16.175 -4.569 1.00 -0.09 H new ATOM 0 HD21 ASN A 60 0.942 18.265 -7.291 1.00 -0.87 H new ATOM 0 HD22 ASN A 60 2.203 17.095 -6.890 1.00 -0.87 H new ATOM 858 N LEU A 61 1.612 12.319 -5.253 1.00 -0.46 N ATOM 859 CA LEU A 61 2.121 11.144 -4.542 1.00 0.04 C ATOM 860 C LEU A 61 3.270 10.547 -5.333 1.00 0.62 C ATOM 861 O LEU A 61 3.041 10.158 -6.466 1.00 -0.50 O ATOM 862 CB LEU A 61 0.947 10.141 -4.373 1.00 -0.06 C ATOM 863 CG LEU A 61 1.233 8.973 -3.382 1.00 -0.01 C ATOM 864 CD1 LEU A 61 -0.028 8.075 -3.256 1.00 -0.11 C ATOM 865 CD2 LEU A 61 2.459 8.118 -3.808 1.00 -0.11 C ATOM 0 H LEU A 61 1.429 12.167 -6.245 1.00 -0.46 H new ATOM 0 HA LEU A 61 2.502 11.405 -3.554 1.00 0.04 H new ATOM 0 HB2 LEU A 61 0.067 10.685 -4.029 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 0.701 9.721 -5.348 1.00 -0.06 H new ATOM 0 HG LEU A 61 1.474 9.415 -2.415 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 0.174 7.259 -2.562 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -0.862 8.669 -2.883 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -0.282 7.666 -4.234 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 2.614 7.318 -3.084 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 2.277 7.686 -4.792 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 3.347 8.749 -3.847 1.00 -0.11 H new ATOM 877 N ASN A 62 4.505 10.451 -4.783 1.00 -0.46 N ATOM 878 CA ASN A 62 5.594 9.828 -5.538 1.00 0.04 C ATOM 879 C ASN A 62 5.393 8.326 -5.602 1.00 0.62 C ATOM 880 O ASN A 62 5.839 7.627 -4.704 1.00 -0.50 O ATOM 881 CB ASN A 62 6.964 10.164 -4.888 1.00 -0.09 C ATOM 882 CG ASN A 62 8.122 9.588 -5.667 1.00 0.68 C ATOM 883 OD1 ASN A 62 7.917 8.900 -6.654 1.00 -0.47 O ATOM 884 ND2 ASN A 62 9.376 9.847 -5.248 1.00 -0.87 N ATOM 0 H ASN A 62 4.757 10.786 -3.853 1.00 -0.46 H new ATOM 0 HA ASN A 62 5.587 10.225 -6.553 1.00 0.04 H new ATOM 0 HB2 ASN A 62 7.076 11.246 -4.820 1.00 -0.09 H new ATOM 0 HB3 ASN A 62 6.985 9.777 -3.869 1.00 -0.09 H new ATOM 0 HD21 ASN A 62 10.173 9.466 -5.758 1.00 -0.87 H new ATOM 0 HD22 ASN A 62 9.528 10.424 -4.421 1.00 -0.87 H new ATOM 891 N GLU A 63 4.733 7.789 -6.655 1.00 -0.46 N ATOM 892 CA GLU A 63 4.540 6.342 -6.726 1.00 0.04 C ATOM 893 C GLU A 63 5.850 5.586 -6.663 1.00 0.62 C ATOM 894 O GLU A 63 5.849 4.471 -6.164 1.00 -0.50 O ATOM 895 CB GLU A 63 3.711 5.845 -7.948 1.00 -0.18 C ATOM 896 CG GLU A 63 4.428 5.917 -9.328 1.00 -0.40 C ATOM 897 CD GLU A 63 4.469 7.305 -9.913 1.00 0.71 C ATOM 898 OE1 GLU A 63 4.945 8.234 -9.208 1.00 -0.72 O ATOM 899 OE2 GLU A 63 4.024 7.472 -11.084 1.00 -0.72 O ATOM 0 H GLU A 63 4.343 8.320 -7.433 1.00 -0.46 H new ATOM 0 HA GLU A 63 3.945 6.123 -5.839 1.00 0.04 H new ATOM 0 HB2 GLU A 63 3.416 4.811 -7.767 1.00 -0.18 H new ATOM 0 HB3 GLU A 63 2.795 6.433 -8.005 1.00 -0.18 H new ATOM 0 HG2 GLU A 63 5.448 5.547 -9.218 1.00 -0.40 H new ATOM 0 HG3 GLU A 63 3.921 5.252 -10.027 1.00 -0.40 H new ATOM 906 N ASP A 64 6.981 6.136 -7.165 1.00 -0.46 N ATOM 907 CA ASP A 64 8.210 5.344 -7.187 1.00 0.04 C ATOM 908 C ASP A 64 8.740 5.082 -5.794 1.00 0.62 C ATOM 909 O ASP A 64 8.901 3.924 -5.438 1.00 -0.50 O ATOM 910 CB ASP A 64 9.313 5.968 -8.080 1.00 -0.40 C ATOM 911 CG ASP A 64 10.464 4.999 -8.162 1.00 0.71 C ATOM 912 OD1 ASP A 64 10.388 4.059 -9.004 1.00 -0.72 O ATOM 913 OD2 ASP A 64 11.435 5.157 -7.377 1.00 -0.72 O ATOM 0 H ASP A 64 7.059 7.081 -7.541 1.00 -0.46 H new ATOM 0 HA ASP A 64 7.936 4.388 -7.633 1.00 0.04 H new ATOM 0 HB2 ASP A 64 8.922 6.177 -9.076 1.00 -0.40 H new ATOM 0 HB3 ASP A 64 9.646 6.918 -7.663 1.00 -0.40 H new ATOM 918 N ASN A 65 9.027 6.114 -4.965 1.00 -0.46 N ATOM 919 CA ASN A 65 9.522 5.806 -3.625 1.00 0.04 C ATOM 920 C ASN A 65 8.469 4.990 -2.911 1.00 0.62 C ATOM 921 O ASN A 65 8.827 4.040 -2.234 1.00 -0.50 O ATOM 922 CB ASN A 65 10.053 7.000 -2.785 1.00 -0.09 C ATOM 923 CG ASN A 65 9.055 8.037 -2.332 1.00 0.68 C ATOM 924 OD1 ASN A 65 9.147 9.174 -2.763 1.00 -0.47 O ATOM 925 ND2 ASN A 65 8.106 7.709 -1.435 1.00 -0.87 N ATOM 0 H ASN A 65 8.929 7.104 -5.190 1.00 -0.46 H new ATOM 0 HA ASN A 65 10.436 5.227 -3.752 1.00 0.04 H new ATOM 0 HB2 ASN A 65 10.542 6.596 -1.899 1.00 -0.09 H new ATOM 0 HB3 ASN A 65 10.821 7.506 -3.370 1.00 -0.09 H new ATOM 0 HD21 ASN A 65 7.449 8.417 -1.105 1.00 -0.87 H new ATOM 0 HD22 ASN A 65 8.044 6.753 -1.085 1.00 -0.87 H new ATOM 932 N ALA A 66 7.165 5.310 -3.068 1.00 -0.46 N ATOM 933 CA ALA A 66 6.137 4.465 -2.459 1.00 0.04 C ATOM 934 C ALA A 66 6.336 3.017 -2.857 1.00 0.62 C ATOM 935 O ALA A 66 6.323 2.151 -1.998 1.00 -0.50 O ATOM 936 CB ALA A 66 4.714 4.924 -2.863 1.00 -0.10 C ATOM 0 H ALA A 66 6.818 6.115 -3.590 1.00 -0.46 H new ATOM 0 HA ALA A 66 6.235 4.560 -1.378 1.00 0.04 H new ATOM 0 HB1 ALA A 66 3.975 4.275 -2.393 1.00 -0.10 H new ATOM 0 HB2 ALA A 66 4.556 5.951 -2.534 1.00 -0.10 H new ATOM 0 HB3 ALA A 66 4.608 4.870 -3.946 1.00 -0.10 H new ATOM 942 N ARG A 67 6.539 2.737 -4.163 1.00 -0.46 N ATOM 943 CA ARG A 67 6.812 1.367 -4.609 1.00 0.04 C ATOM 944 C ARG A 67 8.101 0.830 -4.020 1.00 0.62 C ATOM 945 O ARG A 67 8.169 -0.360 -3.755 1.00 -0.50 O ATOM 946 CB ARG A 67 6.866 1.325 -6.165 1.00 -0.08 C ATOM 947 CG ARG A 67 7.307 -0.049 -6.733 1.00 -0.10 C ATOM 948 CD ARG A 67 7.119 -0.119 -8.280 1.00 -0.23 C ATOM 949 NE ARG A 67 7.142 1.185 -8.966 1.00 -0.32 N ATOM 950 CZ ARG A 67 8.219 1.912 -9.172 1.00 0.76 C ATOM 951 NH1 ARG A 67 9.411 1.565 -8.757 1.00 -0.62 N ATOM 952 NH2 ARG A 67 8.105 3.046 -9.821 1.00 -0.62 N ATOM 0 H ARG A 67 6.518 3.432 -4.909 1.00 -0.46 H new ATOM 0 HA ARG A 67 6.004 0.727 -4.255 1.00 0.04 H new ATOM 0 HB2 ARG A 67 5.882 1.574 -6.561 1.00 -0.08 H new ATOM 0 HB3 ARG A 67 7.555 2.093 -6.517 1.00 -0.08 H new ATOM 0 HG2 ARG A 67 8.353 -0.227 -6.485 1.00 -0.10 H new ATOM 0 HG3 ARG A 67 6.728 -0.842 -6.259 1.00 -0.10 H new ATOM 0 HD2 ARG A 67 7.905 -0.748 -8.699 1.00 -0.23 H new ATOM 0 HD3 ARG A 67 6.170 -0.610 -8.494 1.00 -0.23 H new ATOM 0 HE ARG A 67 6.254 1.553 -9.308 1.00 -0.32 H new ATOM 0 HH11 ARG A 67 9.539 0.692 -8.246 1.00 -0.62 H new ATOM 0 HH12 ARG A 67 10.212 2.168 -8.945 1.00 -0.62 H new ATOM 0 HH21 ARG A 67 7.192 3.352 -10.157 1.00 -0.62 H new ATOM 0 HH22 ARG A 67 8.930 3.622 -9.990 1.00 -0.62 H new ATOM 966 N SER A 68 9.138 1.670 -3.806 1.00 -0.46 N ATOM 967 CA SER A 68 10.391 1.176 -3.228 1.00 0.04 C ATOM 968 C SER A 68 10.321 1.003 -1.722 1.00 0.62 C ATOM 969 O SER A 68 11.090 0.215 -1.197 1.00 -0.50 O ATOM 970 CB SER A 68 11.576 2.120 -3.560 1.00 0.02 C ATOM 971 OG SER A 68 11.751 2.296 -4.977 1.00 -0.55 O ATOM 0 H SER A 68 9.128 2.667 -4.021 1.00 -0.46 H new ATOM 0 HA SER A 68 10.552 0.197 -3.680 1.00 0.04 H new ATOM 0 HB2 SER A 68 11.407 3.090 -3.093 1.00 0.02 H new ATOM 0 HB3 SER A 68 12.492 1.715 -3.130 1.00 0.02 H new ATOM 0 HG SER A 68 10.982 2.780 -5.344 1.00 -0.55 H new ATOM 977 N ILE A 69 9.439 1.712 -0.980 1.00 -0.46 N ATOM 978 CA ILE A 69 9.373 1.519 0.474 1.00 0.04 C ATOM 979 C ILE A 69 9.242 0.062 0.895 1.00 0.62 C ATOM 980 O ILE A 69 10.056 -0.344 1.710 1.00 -0.50 O ATOM 981 CB ILE A 69 8.296 2.417 1.167 1.00 -0.01 C ATOM 982 CG1 ILE A 69 8.763 3.907 1.216 1.00 -0.05 C ATOM 983 CG2 ILE A 69 7.949 1.906 2.599 1.00 -0.09 C ATOM 984 CD1 ILE A 69 7.628 4.901 1.584 1.00 -0.09 C ATOM 0 H ILE A 69 8.786 2.400 -1.355 1.00 -0.46 H new ATOM 0 HA ILE A 69 10.345 1.854 0.835 1.00 0.04 H new ATOM 0 HB ILE A 69 7.389 2.355 0.566 1.00 -0.01 H new ATOM 0 HG12 ILE A 69 9.569 4.003 1.944 1.00 -0.05 H new ATOM 0 HG13 ILE A 69 9.175 4.182 0.245 1.00 -0.05 H new ATOM 0 HG21 ILE A 69 7.198 2.557 3.046 1.00 -0.09 H new ATOM 0 HG22 ILE A 69 7.559 0.890 2.538 1.00 -0.09 H new ATOM 0 HG23 ILE A 69 8.848 1.913 3.216 1.00 -0.09 H new ATOM 0 HD11 ILE A 69 8.024 5.916 1.599 1.00 -0.09 H new ATOM 0 HD12 ILE A 69 6.831 4.834 0.843 1.00 -0.09 H new ATOM 0 HD13 ILE A 69 7.231 4.652 2.568 1.00 -0.09 H new ATOM 996 N PRO A 70 8.271 -0.783 0.456 1.00 -0.23 N ATOM 997 CA PRO A 70 8.119 -2.086 1.083 1.00 0.04 C ATOM 998 C PRO A 70 9.392 -2.896 1.266 1.00 0.53 C ATOM 999 O PRO A 70 9.672 -3.230 2.408 1.00 -0.50 O ATOM 1000 CB PRO A 70 6.987 -2.728 0.237 1.00 -0.12 C ATOM 1001 CG PRO A 70 6.740 -1.787 -0.971 1.00 -0.12 C ATOM 1002 CD PRO A 70 7.269 -0.404 -0.524 1.00 -0.01 C ATOM 0 HA PRO A 70 7.856 -2.024 2.139 1.00 0.04 H new ATOM 0 HB2 PRO A 70 7.275 -3.724 -0.101 1.00 -0.12 H new ATOM 0 HB3 PRO A 70 6.079 -2.842 0.830 1.00 -0.12 H new ATOM 0 HG2 PRO A 70 7.264 -2.141 -1.859 1.00 -0.12 H new ATOM 0 HG3 PRO A 70 5.681 -1.740 -1.223 1.00 -0.12 H new ATOM 0 HD2 PRO A 70 7.698 0.159 -1.353 1.00 -0.01 H new ATOM 0 HD3 PRO A 70 6.484 0.215 -0.090 1.00 -0.01 H new ATOM 1010 N PRO A 71 10.231 -3.244 0.260 1.00 -0.23 N ATOM 1011 CA PRO A 71 11.428 -4.016 0.569 1.00 0.04 C ATOM 1012 C PRO A 71 12.367 -3.265 1.491 1.00 0.53 C ATOM 1013 O PRO A 71 13.110 -3.926 2.201 1.00 -0.50 O ATOM 1014 CB PRO A 71 12.000 -4.234 -0.855 1.00 -0.12 C ATOM 1015 CG PRO A 71 11.448 -3.043 -1.668 1.00 -0.12 C ATOM 1016 CD PRO A 71 10.007 -2.878 -1.129 1.00 -0.01 C ATOM 0 HA PRO A 71 11.253 -4.942 1.116 1.00 0.04 H new ATOM 0 HB2 PRO A 71 13.090 -4.242 -0.850 1.00 -0.12 H new ATOM 0 HB3 PRO A 71 11.676 -5.187 -1.273 1.00 -0.12 H new ATOM 0 HG2 PRO A 71 12.041 -2.141 -1.513 1.00 -0.12 H new ATOM 0 HG3 PRO A 71 11.456 -3.249 -2.738 1.00 -0.12 H new ATOM 0 HD2 PRO A 71 9.632 -1.861 -1.239 1.00 -0.01 H new ATOM 0 HD3 PRO A 71 9.295 -3.536 -1.627 1.00 -0.01 H new ATOM 1024 N LYS A 72 12.366 -1.910 1.541 1.00 -0.46 N ATOM 1025 CA LYS A 72 13.244 -1.225 2.494 1.00 0.04 C ATOM 1026 C LYS A 72 12.937 -1.702 3.900 1.00 0.62 C ATOM 1027 O LYS A 72 13.866 -1.842 4.678 1.00 -0.50 O ATOM 1028 CB LYS A 72 13.175 0.329 2.438 1.00 -0.10 C ATOM 1029 CG LYS A 72 13.729 0.892 1.099 1.00 -0.16 C ATOM 1030 CD LYS A 72 13.647 2.444 1.038 1.00 -0.18 C ATOM 1031 CE LYS A 72 14.219 2.982 -0.303 1.00 -0.04 C ATOM 1032 NZ LYS A 72 14.069 4.451 -0.423 1.00 -0.14 N ATOM 0 H LYS A 72 11.792 -1.302 0.957 1.00 -0.46 H new ATOM 0 HA LYS A 72 14.262 -1.485 2.204 1.00 0.04 H new ATOM 0 HB2 LYS A 72 12.141 0.650 2.566 1.00 -0.10 H new ATOM 0 HB3 LYS A 72 13.743 0.747 3.269 1.00 -0.10 H new ATOM 0 HG2 LYS A 72 14.766 0.579 0.976 1.00 -0.16 H new ATOM 0 HG3 LYS A 72 13.167 0.467 0.267 1.00 -0.16 H new ATOM 0 HD2 LYS A 72 12.610 2.761 1.148 1.00 -0.18 H new ATOM 0 HD3 LYS A 72 14.202 2.874 1.872 1.00 -0.18 H new ATOM 0 HE2 LYS A 72 15.274 2.718 -0.378 1.00 -0.04 H new ATOM 0 HE3 LYS A 72 13.709 2.497 -1.135 1.00 -0.04 H new ATOM 0 HZ1 LYS A 72 14.448 4.765 -1.339 1.00 -0.14 H new ATOM 0 HZ2 LYS A 72 13.062 4.703 -0.360 1.00 -0.14 H new ATOM 0 HZ3 LYS A 72 14.591 4.917 0.346 1.00 -0.14 H new ATOM 1046 N CYS A 73 11.657 -1.981 4.251 1.00 -0.46 N ATOM 1047 CA CYS A 73 11.356 -2.613 5.540 1.00 0.04 C ATOM 1048 C CYS A 73 11.232 -4.113 5.371 1.00 0.62 C ATOM 1049 O CYS A 73 10.213 -4.689 5.716 1.00 -0.50 O ATOM 1050 CB CYS A 73 10.114 -1.974 6.215 1.00 -0.10 C ATOM 1051 SG CYS A 73 10.545 -0.301 6.798 1.00 0.82 S ATOM 0 H CYS A 73 10.843 -1.781 3.670 1.00 -0.46 H new ATOM 0 HA CYS A 73 12.187 -2.432 6.221 1.00 0.04 H new ATOM 0 HB2 CYS A 73 9.286 -1.924 5.508 1.00 -0.10 H new ATOM 0 HB3 CYS A 73 9.782 -2.590 7.051 1.00 -0.10 H new ATOM 1056 N GLY A 74 12.300 -4.775 4.872 1.00 -0.46 N ATOM 1057 CA GLY A 74 12.407 -6.227 5.021 1.00 0.04 C ATOM 1058 C GLY A 74 11.624 -7.102 4.071 1.00 0.62 C ATOM 1059 O GLY A 74 12.051 -8.235 3.916 1.00 -0.50 O ATOM 0 H GLY A 74 13.075 -4.334 4.377 1.00 -0.46 H new ATOM 0 HA2 GLY A 74 13.460 -6.494 4.929 1.00 0.04 H new ATOM 0 HA3 GLY A 74 12.101 -6.481 6.036 1.00 0.04 H new ATOM 1063 N VAL A 75 10.495 -6.684 3.447 1.00 -0.46 N ATOM 1064 CA VAL A 75 9.722 -7.648 2.656 1.00 0.04 C ATOM 1065 C VAL A 75 8.822 -7.005 1.618 1.00 0.62 C ATOM 1066 O VAL A 75 8.283 -5.940 1.880 1.00 -0.50 O ATOM 1067 CB VAL A 75 8.915 -8.568 3.621 1.00 -0.01 C ATOM 1068 CG1 VAL A 75 7.925 -7.748 4.493 1.00 -0.09 C ATOM 1069 CG2 VAL A 75 8.172 -9.700 2.861 1.00 -0.09 C ATOM 0 H VAL A 75 10.121 -5.735 3.476 1.00 -0.46 H new ATOM 0 HA VAL A 75 10.431 -8.243 2.081 1.00 0.04 H new ATOM 0 HB VAL A 75 9.640 -9.040 4.284 1.00 -0.01 H new ATOM 0 HG11 VAL A 75 7.379 -8.421 5.154 1.00 -0.09 H new ATOM 0 HG12 VAL A 75 8.480 -7.024 5.090 1.00 -0.09 H new ATOM 0 HG13 VAL A 75 7.221 -7.223 3.848 1.00 -0.09 H new ATOM 0 HG21 VAL A 75 7.623 -10.317 3.573 1.00 -0.09 H new ATOM 0 HG22 VAL A 75 7.475 -9.262 2.147 1.00 -0.09 H new ATOM 0 HG23 VAL A 75 8.896 -10.317 2.329 1.00 -0.09 H new ATOM 1079 N ASN A 76 8.647 -7.642 0.431 1.00 -0.46 N ATOM 1080 CA ASN A 76 7.813 -7.063 -0.622 1.00 0.04 C ATOM 1081 C ASN A 76 6.398 -7.601 -0.566 1.00 0.62 C ATOM 1082 O ASN A 76 6.197 -8.687 -0.048 1.00 -0.50 O ATOM 1083 CB ASN A 76 8.421 -7.349 -2.021 1.00 -0.09 C ATOM 1084 CG ASN A 76 8.375 -8.828 -2.317 1.00 0.68 C ATOM 1085 OD1 ASN A 76 9.314 -9.524 -1.968 1.00 -0.47 O ATOM 1086 ND2 ASN A 76 7.298 -9.349 -2.939 1.00 -0.87 N ATOM 0 H ASN A 76 9.069 -8.540 0.194 1.00 -0.46 H new ATOM 0 HA ASN A 76 7.781 -5.986 -0.456 1.00 0.04 H new ATOM 0 HB2 ASN A 76 7.869 -6.801 -2.784 1.00 -0.09 H new ATOM 0 HB3 ASN A 76 9.451 -6.995 -2.057 1.00 -0.09 H new ATOM 0 HD21 ASN A 76 7.254 -10.350 -3.129 1.00 -0.87 H new ATOM 0 HD22 ASN A 76 6.528 -8.742 -3.219 1.00 -0.87 H new ATOM 1093 N LEU A 77 5.409 -6.856 -1.113 1.00 -0.46 N ATOM 1094 CA LEU A 77 4.036 -7.372 -1.210 1.00 0.04 C ATOM 1095 C LEU A 77 3.940 -8.336 -2.380 1.00 0.62 C ATOM 1096 O LEU A 77 4.759 -8.201 -3.276 1.00 -0.50 O ATOM 1097 CB LEU A 77 2.891 -6.302 -1.278 1.00 -0.06 C ATOM 1098 CG LEU A 77 3.303 -4.814 -1.490 1.00 -0.01 C ATOM 1099 CD1 LEU A 77 3.880 -4.517 -2.905 1.00 -0.11 C ATOM 1100 CD2 LEU A 77 2.054 -3.918 -1.268 1.00 -0.11 C ATOM 0 H LEU A 77 5.538 -5.915 -1.485 1.00 -0.46 H new ATOM 0 HA LEU A 77 3.857 -7.878 -0.261 1.00 0.04 H new ATOM 0 HB2 LEU A 77 2.217 -6.582 -2.088 1.00 -0.06 H new ATOM 0 HB3 LEU A 77 2.319 -6.363 -0.352 1.00 -0.06 H new ATOM 0 HG LEU A 77 4.097 -4.601 -0.774 1.00 -0.01 H new ATOM 0 HD11 LEU A 77 4.144 -3.462 -2.976 1.00 -0.11 H new ATOM 0 HD12 LEU A 77 4.769 -5.125 -3.070 1.00 -0.11 H new ATOM 0 HD13 LEU A 77 3.132 -4.756 -3.661 1.00 -0.11 H new ATOM 0 HD21 LEU A 77 2.326 -2.872 -1.413 1.00 -0.11 H new ATOM 0 HD22 LEU A 77 1.277 -4.193 -1.982 1.00 -0.11 H new ATOM 0 HD23 LEU A 77 1.681 -4.059 -0.254 1.00 -0.11 H new ATOM 1112 N PRO A 78 3.001 -9.321 -2.436 1.00 -0.23 N ATOM 1113 CA PRO A 78 3.005 -10.268 -3.548 1.00 0.04 C ATOM 1114 C PRO A 78 2.750 -9.647 -4.908 1.00 0.53 C ATOM 1115 O PRO A 78 3.379 -10.086 -5.858 1.00 -0.50 O ATOM 1116 CB PRO A 78 1.878 -11.241 -3.110 1.00 -0.12 C ATOM 1117 CG PRO A 78 1.012 -10.442 -2.106 1.00 -0.12 C ATOM 1118 CD PRO A 78 2.036 -9.551 -1.365 1.00 -0.01 C ATOM 0 HA PRO A 78 3.977 -10.735 -3.707 1.00 0.04 H new ATOM 0 HB2 PRO A 78 1.287 -11.568 -3.965 1.00 -0.12 H new ATOM 0 HB3 PRO A 78 2.291 -12.137 -2.647 1.00 -0.12 H new ATOM 0 HG2 PRO A 78 0.257 -9.844 -2.616 1.00 -0.12 H new ATOM 0 HG3 PRO A 78 0.485 -11.103 -1.418 1.00 -0.12 H new ATOM 0 HD2 PRO A 78 1.593 -8.625 -0.998 1.00 -0.01 H new ATOM 0 HD3 PRO A 78 2.480 -10.054 -0.506 1.00 -0.01 H new ATOM 1126 N TYR A 79 1.856 -8.638 -5.030 1.00 -0.46 N ATOM 1127 CA TYR A 79 1.681 -7.906 -6.298 1.00 0.04 C ATOM 1128 C TYR A 79 2.213 -6.518 -6.047 1.00 0.62 C ATOM 1129 O TYR A 79 2.460 -6.220 -4.891 1.00 -0.50 O ATOM 1130 CB TYR A 79 0.223 -7.869 -6.850 1.00 -0.10 C ATOM 1131 CG TYR A 79 -0.771 -7.300 -5.817 1.00 -0.03 C ATOM 1132 CD1 TYR A 79 -1.214 -8.128 -4.785 1.00 0.00 C ATOM 1133 CD2 TYR A 79 -1.254 -5.987 -5.870 1.00 0.00 C ATOM 1134 CE1 TYR A 79 -2.133 -7.678 -3.833 1.00 -0.26 C ATOM 1135 CE2 TYR A 79 -2.227 -5.552 -4.959 1.00 -0.26 C ATOM 1136 CZ TYR A 79 -2.680 -6.398 -3.943 1.00 0.46 C ATOM 1137 OH TYR A 79 -3.669 -5.954 -3.062 1.00 -0.53 O ATOM 0 H TYR A 79 1.253 -8.318 -4.273 1.00 -0.46 H new ATOM 0 HA TYR A 79 2.223 -8.430 -7.085 1.00 0.04 H new ATOM 0 HB2 TYR A 79 0.193 -7.262 -7.755 1.00 -0.10 H new ATOM 0 HB3 TYR A 79 -0.084 -8.876 -7.132 1.00 -0.10 H new ATOM 0 HD1 TYR A 79 -0.839 -9.139 -4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.875 -5.305 -6.617 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.420 -8.320 -3.013 1.00 -0.26 H new ATOM 0 HE2 TYR A 79 -2.630 -4.554 -5.043 1.00 -0.26 H new ATOM 0 HH TYR A 79 -3.462 -6.263 -2.155 1.00 -0.53 H new ATOM 1147 N THR A 80 2.411 -5.662 -7.075 1.00 -0.46 N ATOM 1148 CA THR A 80 2.920 -4.318 -6.808 1.00 0.04 C ATOM 1149 C THR A 80 1.779 -3.476 -6.277 1.00 0.62 C ATOM 1150 O THR A 80 1.275 -3.802 -5.214 1.00 -0.50 O ATOM 1151 CB THR A 80 3.657 -3.721 -8.039 1.00 0.17 C ATOM 1152 OG1 THR A 80 2.687 -3.600 -9.093 1.00 -0.55 O ATOM 1153 CG2 THR A 80 4.841 -4.622 -8.483 1.00 -0.19 C ATOM 0 H THR A 80 2.232 -5.875 -8.056 1.00 -0.46 H new ATOM 0 HA THR A 80 3.693 -4.344 -6.040 1.00 0.04 H new ATOM 0 HB THR A 80 4.083 -2.750 -7.788 1.00 0.17 H new ATOM 0 HG1 THR A 80 3.115 -3.223 -9.890 1.00 -0.55 H new ATOM 0 HG21 THR A 80 5.334 -4.175 -9.346 1.00 -0.19 H new ATOM 0 HG22 THR A 80 5.555 -4.714 -7.664 1.00 -0.19 H new ATOM 0 HG23 THR A 80 4.466 -5.610 -8.751 1.00 -0.19 H new ATOM 1161 N ILE A 81 1.339 -2.391 -6.952 1.00 -0.46 N ATOM 1162 CA ILE A 81 0.395 -1.453 -6.338 1.00 0.04 C ATOM 1163 C ILE A 81 -0.554 -0.971 -7.420 1.00 0.62 C ATOM 1164 O ILE A 81 -0.545 -1.586 -8.472 1.00 -0.50 O ATOM 1165 CB ILE A 81 1.221 -0.371 -5.568 1.00 -0.01 C ATOM 1166 CG1 ILE A 81 2.140 0.438 -6.531 1.00 -0.05 C ATOM 1167 CG2 ILE A 81 2.034 -1.003 -4.399 1.00 -0.09 C ATOM 1168 CD1 ILE A 81 2.930 1.569 -5.816 1.00 -0.09 C ATOM 0 H ILE A 81 1.620 -2.153 -7.903 1.00 -0.46 H new ATOM 0 HA ILE A 81 -0.254 -1.891 -5.580 1.00 0.04 H new ATOM 0 HB ILE A 81 0.512 0.332 -5.130 1.00 -0.01 H new ATOM 0 HG12 ILE A 81 2.845 -0.243 -7.008 1.00 -0.05 H new ATOM 0 HG13 ILE A 81 1.531 0.874 -7.323 1.00 -0.05 H new ATOM 0 HG21 ILE A 81 2.597 -0.224 -3.884 1.00 -0.09 H new ATOM 0 HG22 ILE A 81 1.351 -1.481 -3.697 1.00 -0.09 H new ATOM 0 HG23 ILE A 81 2.724 -1.747 -4.796 1.00 -0.09 H new ATOM 0 HD11 ILE A 81 3.551 2.094 -6.542 1.00 -0.09 H new ATOM 0 HD12 ILE A 81 2.230 2.271 -5.362 1.00 -0.09 H new ATOM 0 HD13 ILE A 81 3.564 1.137 -5.042 1.00 -0.09 H new ATOM 1180 N SER A 82 -1.392 0.072 -7.209 1.00 -0.46 N ATOM 1181 CA SER A 82 -2.413 0.442 -8.194 1.00 0.04 C ATOM 1182 C SER A 82 -2.417 1.933 -8.449 1.00 0.62 C ATOM 1183 O SER A 82 -3.478 2.498 -8.662 1.00 -0.50 O ATOM 1184 CB SER A 82 -3.784 -0.004 -7.622 1.00 0.02 C ATOM 1185 OG SER A 82 -3.837 -1.425 -7.416 1.00 -0.55 O ATOM 0 H SER A 82 -1.375 0.659 -6.375 1.00 -0.46 H new ATOM 0 HA SER A 82 -2.205 -0.045 -9.147 1.00 0.04 H new ATOM 0 HB2 SER A 82 -3.968 0.508 -6.677 1.00 0.02 H new ATOM 0 HB3 SER A 82 -4.578 0.294 -8.306 1.00 0.02 H new ATOM 0 HG SER A 82 -4.748 -1.686 -7.166 1.00 -0.55 H new ATOM 1191 N LEU A 83 -1.250 2.608 -8.424 1.00 -0.46 N ATOM 1192 CA LEU A 83 -1.245 4.066 -8.539 1.00 0.04 C ATOM 1193 C LEU A 83 -1.232 4.447 -10.002 1.00 0.62 C ATOM 1194 O LEU A 83 -2.209 5.003 -10.477 1.00 -0.50 O ATOM 1195 CB LEU A 83 -0.054 4.698 -7.765 1.00 -0.06 C ATOM 1196 CG LEU A 83 -0.273 4.737 -6.222 1.00 -0.01 C ATOM 1197 CD1 LEU A 83 -0.659 3.353 -5.633 1.00 -0.11 C ATOM 1198 CD2 LEU A 83 1.015 5.258 -5.533 1.00 -0.11 C ATOM 0 H LEU A 83 -0.330 2.177 -8.328 1.00 -0.46 H new ATOM 0 HA LEU A 83 -2.150 4.463 -8.080 1.00 0.04 H new ATOM 0 HB2 LEU A 83 0.852 4.133 -7.982 1.00 -0.06 H new ATOM 0 HB3 LEU A 83 0.109 5.713 -8.128 1.00 -0.06 H new ATOM 0 HG LEU A 83 -1.109 5.409 -6.030 1.00 -0.01 H new ATOM 0 HD11 LEU A 83 -0.798 3.442 -4.556 1.00 -0.11 H new ATOM 0 HD12 LEU A 83 -1.586 3.008 -6.092 1.00 -0.11 H new ATOM 0 HD13 LEU A 83 0.136 2.636 -5.838 1.00 -0.11 H new ATOM 0 HD21 LEU A 83 0.864 5.286 -4.454 1.00 -0.11 H new ATOM 0 HD22 LEU A 83 1.847 4.593 -5.766 1.00 -0.11 H new ATOM 0 HD23 LEU A 83 1.240 6.261 -5.894 1.00 -0.11 H new ATOM 1210 N ASN A 84 -0.132 4.147 -10.729 1.00 -0.46 N ATOM 1211 CA ASN A 84 0.002 4.596 -12.117 1.00 0.04 C ATOM 1212 C ASN A 84 -0.139 3.408 -13.046 1.00 0.62 C ATOM 1213 O ASN A 84 0.639 3.282 -13.976 1.00 -0.50 O ATOM 1214 CB ASN A 84 1.375 5.323 -12.195 1.00 -0.09 C ATOM 1215 CG ASN A 84 1.605 6.127 -13.450 1.00 0.68 C ATOM 1216 OD1 ASN A 84 0.824 6.042 -14.384 1.00 -0.47 O ATOM 1217 ND2 ASN A 84 2.685 6.933 -13.494 1.00 -0.87 N ATOM 0 H ASN A 84 0.658 3.605 -10.378 1.00 -0.46 H new ATOM 0 HA ASN A 84 -0.776 5.291 -12.433 1.00 0.04 H new ATOM 0 HB2 ASN A 84 1.466 5.987 -11.335 1.00 -0.09 H new ATOM 0 HB3 ASN A 84 2.167 4.579 -12.109 1.00 -0.09 H new ATOM 0 HD21 ASN A 84 2.869 7.495 -14.325 1.00 -0.87 H new ATOM 0 HD22 ASN A 84 3.318 6.981 -12.696 1.00 -0.87 H new ATOM 1224 N ILE A 85 -1.129 2.521 -12.782 1.00 -0.46 N ATOM 1225 CA ILE A 85 -1.289 1.283 -13.556 1.00 0.04 C ATOM 1226 C ILE A 85 -2.606 0.606 -13.199 1.00 0.62 C ATOM 1227 O ILE A 85 -3.259 1.038 -12.259 1.00 -0.50 O ATOM 1228 CB ILE A 85 -0.102 0.259 -13.420 1.00 -0.01 C ATOM 1229 CG1 ILE A 85 0.817 0.467 -12.177 1.00 -0.05 C ATOM 1230 CG2 ILE A 85 0.757 0.183 -14.717 1.00 -0.09 C ATOM 1231 CD1 ILE A 85 0.055 0.284 -10.841 1.00 -0.09 C ATOM 0 H ILE A 85 -1.820 2.646 -12.043 1.00 -0.46 H new ATOM 0 HA ILE A 85 -1.287 1.594 -14.601 1.00 0.04 H new ATOM 0 HB ILE A 85 -0.604 -0.696 -13.261 1.00 -0.01 H new ATOM 0 HG12 ILE A 85 1.646 -0.240 -12.219 1.00 -0.05 H new ATOM 0 HG13 ILE A 85 1.249 1.467 -12.211 1.00 -0.05 H new ATOM 0 HG21 ILE A 85 1.564 -0.536 -14.577 1.00 -0.09 H new ATOM 0 HG22 ILE A 85 0.130 -0.133 -15.551 1.00 -0.09 H new ATOM 0 HG23 ILE A 85 1.179 1.165 -14.932 1.00 -0.09 H new ATOM 0 HD11 ILE A 85 0.740 0.439 -10.007 1.00 -0.09 H new ATOM 0 HD12 ILE A 85 -0.757 1.009 -10.783 1.00 -0.09 H new ATOM 0 HD13 ILE A 85 -0.354 -0.725 -10.791 1.00 -0.09 H new ATOM 1243 N ASP A 86 -3.008 -0.455 -13.944 1.00 -0.46 N ATOM 1244 CA ASP A 86 -4.228 -1.196 -13.605 1.00 0.04 C ATOM 1245 C ASP A 86 -4.191 -1.685 -12.170 1.00 0.62 C ATOM 1246 O ASP A 86 -3.122 -1.710 -11.581 1.00 -0.50 O ATOM 1247 CB ASP A 86 -4.418 -2.406 -14.565 1.00 -0.40 C ATOM 1248 CG ASP A 86 -5.646 -3.227 -14.265 1.00 0.71 C ATOM 1249 OD1 ASP A 86 -6.644 -2.642 -13.759 1.00 -0.72 O ATOM 1250 OD2 ASP A 86 -5.624 -4.461 -14.511 1.00 -0.72 O ATOM 0 H ASP A 86 -2.511 -0.803 -14.764 1.00 -0.46 H new ATOM 0 HA ASP A 86 -5.070 -0.513 -13.718 1.00 0.04 H new ATOM 0 HB2 ASP A 86 -4.477 -2.040 -15.590 1.00 -0.40 H new ATOM 0 HB3 ASP A 86 -3.539 -3.048 -14.506 1.00 -0.40 H new ATOM 1255 N CYS A 87 -5.345 -2.067 -11.570 1.00 -0.46 N ATOM 1256 CA CYS A 87 -5.330 -2.450 -10.162 1.00 0.04 C ATOM 1257 C CYS A 87 -4.568 -3.738 -9.934 1.00 0.62 C ATOM 1258 O CYS A 87 -3.690 -3.739 -9.086 1.00 -0.50 O ATOM 1259 CB CYS A 87 -6.745 -2.528 -9.519 1.00 -0.10 C ATOM 1260 SG CYS A 87 -6.651 -2.095 -7.747 1.00 0.82 S ATOM 0 H CYS A 87 -6.256 -2.113 -12.027 1.00 -0.46 H new ATOM 0 HA CYS A 87 -4.803 -1.642 -9.654 1.00 0.04 H new ATOM 0 HB2 CYS A 87 -7.425 -1.848 -10.032 1.00 -0.10 H new ATOM 0 HB3 CYS A 87 -7.151 -3.533 -9.635 1.00 -0.10 H new ATOM 1265 N SER A 88 -4.920 -4.828 -10.656 1.00 -0.46 N ATOM 1266 CA SER A 88 -4.302 -6.141 -10.425 1.00 0.04 C ATOM 1267 C SER A 88 -4.694 -6.696 -9.068 1.00 0.62 C ATOM 1268 O SER A 88 -4.544 -5.978 -8.093 1.00 -0.50 O ATOM 1269 CB SER A 88 -2.760 -6.125 -10.592 1.00 0.02 C ATOM 1270 OG SER A 88 -2.455 -5.509 -11.855 1.00 -0.55 O ATOM 0 H SER A 88 -5.623 -4.818 -11.395 1.00 -0.46 H new ATOM 0 HA SER A 88 -4.690 -6.803 -11.199 1.00 0.04 H new ATOM 0 HB2 SER A 88 -2.294 -5.572 -9.776 1.00 0.02 H new ATOM 0 HB3 SER A 88 -2.363 -7.139 -10.557 1.00 0.02 H new ATOM 0 HG SER A 88 -1.483 -5.486 -11.982 1.00 -0.55 H new ATOM 1276 N ARG A 89 -5.203 -7.948 -8.955 1.00 -0.46 N ATOM 1277 CA ARG A 89 -5.656 -8.448 -7.652 1.00 0.04 C ATOM 1278 C ARG A 89 -6.011 -9.924 -7.642 1.00 0.62 C ATOM 1279 O ARG A 89 -5.513 -10.624 -6.774 1.00 -0.50 O ATOM 1280 CB ARG A 89 -6.826 -7.633 -7.020 1.00 -0.08 C ATOM 1281 CG ARG A 89 -8.156 -7.539 -7.823 1.00 -0.10 C ATOM 1282 CD ARG A 89 -8.027 -6.781 -9.173 1.00 -0.23 C ATOM 1283 NE ARG A 89 -9.356 -6.532 -9.751 1.00 -0.32 N ATOM 1284 CZ ARG A 89 -10.172 -5.573 -9.367 1.00 0.76 C ATOM 1285 NH1 ARG A 89 -9.892 -4.730 -8.404 1.00 -0.62 N ATOM 1286 NH2 ARG A 89 -11.330 -5.447 -9.969 1.00 -0.62 N ATOM 0 H ARG A 89 -5.305 -8.605 -9.729 1.00 -0.46 H new ATOM 0 HA ARG A 89 -4.773 -8.306 -7.029 1.00 0.04 H new ATOM 0 HB2 ARG A 89 -7.051 -8.069 -6.047 1.00 -0.08 H new ATOM 0 HB3 ARG A 89 -6.470 -6.619 -6.840 1.00 -0.08 H new ATOM 0 HG2 ARG A 89 -8.523 -8.547 -8.018 1.00 -0.10 H new ATOM 0 HG3 ARG A 89 -8.905 -7.040 -7.208 1.00 -0.10 H new ATOM 0 HD2 ARG A 89 -7.508 -5.835 -9.018 1.00 -0.23 H new ATOM 0 HD3 ARG A 89 -7.424 -7.365 -9.869 1.00 -0.23 H new ATOM 0 HE ARG A 89 -9.668 -7.146 -10.503 1.00 -0.32 H new ATOM 0 HH11 ARG A 89 -9.002 -4.798 -7.909 1.00 -0.62 H new ATOM 0 HH12 ARG A 89 -10.564 -4.006 -8.149 1.00 -0.62 H new ATOM 0 HH21 ARG A 89 -11.586 -6.086 -10.722 1.00 -0.62 H new ATOM 0 HH22 ARG A 89 -11.975 -4.710 -9.685 1.00 -0.62 H new ATOM 1300 N VAL A 90 -6.861 -10.431 -8.565 1.00 -0.46 N ATOM 1301 CA VAL A 90 -7.321 -11.821 -8.488 1.00 0.04 C ATOM 1302 C VAL A 90 -7.530 -12.339 -9.893 1.00 0.62 C ATOM 1303 O VAL A 90 -7.821 -11.574 -10.801 1.00 -0.50 O ATOM 1304 CB VAL A 90 -8.641 -11.905 -7.660 1.00 -0.01 C ATOM 1305 CG1 VAL A 90 -9.251 -13.334 -7.709 1.00 -0.09 C ATOM 1306 CG2 VAL A 90 -8.419 -11.484 -6.179 1.00 -0.09 C ATOM 1307 OXT VAL A 90 -7.370 -13.656 -10.068 1.00 0.00 O ATOM 0 H VAL A 90 -7.232 -9.903 -9.355 1.00 -0.46 H new ATOM 0 HA VAL A 90 -6.574 -12.436 -7.985 1.00 0.04 H new ATOM 0 HB VAL A 90 -9.341 -11.206 -8.118 1.00 -0.01 H new ATOM 0 HG11 VAL A 90 -10.169 -13.358 -7.122 1.00 -0.09 H new ATOM 0 HG12 VAL A 90 -9.474 -13.599 -8.742 1.00 -0.09 H new ATOM 0 HG13 VAL A 90 -8.538 -14.048 -7.297 1.00 -0.09 H new ATOM 0 HG21 VAL A 90 -9.361 -11.556 -5.635 1.00 -0.09 H new ATOM 0 HG22 VAL A 90 -7.683 -12.144 -5.719 1.00 -0.09 H new ATOM 0 HG23 VAL A 90 -8.057 -10.457 -6.143 1.00 -0.09 H new TER 1318 VAL A 90 HETATM 1319 C1 E2P A 91 1.476 -1.691 1.635 1.00 -0.12 C HETATM 1320 C2 E2P A 91 2.814 -1.287 0.977 1.00 -0.07 C HETATM 1321 C3 E2P A 91 3.815 -0.694 2.002 1.00 -0.07 C HETATM 1322 C4 E2P A 91 3.587 0.785 2.439 1.00 -0.07 C HETATM 1323 C5 E2P A 91 4.255 1.861 1.523 1.00 -0.06 C HETATM 1324 C6 E2P A 91 3.730 2.131 0.079 1.00 0.16 C HETATM 1325 O6 E2P A 91 3.851 0.994 -0.787 1.00 -0.46 O HETATM 1326 C7 E2P A 91 2.364 2.796 0.040 1.00 0.02 C HETATM 1327 C8 E2P A 91 1.227 2.223 0.451 1.00 -0.14 C HETATM 1328 C9 E2P A 91 -0.102 2.871 0.482 1.00 0.02 C HETATM 1329 C10 E2P A 91 -0.291 4.366 0.402 1.00 -0.01 C HETATM 1330 C11 E2P A 91 -1.791 4.614 0.728 1.00 -0.02 C HETATM 1331 C12 E2P A 91 -2.331 3.221 0.642 1.00 0.21 C HETATM 1332 O12 E2P A 91 -3.522 2.959 0.617 1.00 -0.34 O HETATM 1333 C13 E2P A 91 -1.262 2.220 0.605 1.00 -0.11 C HETATM 1334 C14 E2P A 91 -1.449 0.728 0.716 1.00 0.04 C HETATM 1335 C15 E2P A 91 -0.920 -0.027 -0.489 1.00 -0.12 C HETATM 1336 C16 E2P A 91 -1.422 -1.172 -0.978 1.00 -0.11 C HETATM 1337 C17 E2P A 91 -2.645 -1.888 -0.447 1.00 -0.01 C HETATM 1338 C18 E2P A 91 -2.274 -2.703 0.816 1.00 -0.07 C HETATM 1339 C19 E2P A 91 -1.374 -3.907 0.451 1.00 -0.01 C HETATM 1340 C20 E2P A 91 -2.047 -4.936 -0.414 1.00 0.35 C HETATM 1341 O21 E2P A 91 -3.372 -4.968 -0.389 1.00 -0.38 O HETATM 1342 O20 E2P A 91 -1.432 -5.720 -1.114 1.00 -0.35 O HETATM 0 H192 E2P A 91 -0.486 -3.540 -0.063 1.00 -0.01 H new HETATM 0 H191 E2P A 91 -1.035 -4.386 1.370 1.00 -0.01 H new HETATM 0 H182 E2P A 91 -1.758 -2.061 1.529 1.00 -0.07 H new HETATM 0 H181 E2P A 91 -3.182 -3.057 1.305 1.00 -0.07 H new HETATM 0 H172 E2P A 91 -3.425 -1.165 -0.207 1.00 -0.01 H new HETATM 0 H171 E2P A 91 -3.049 -2.551 -1.212 1.00 -0.01 H new HETATM 0 H142 E2P A 91 -0.944 0.370 1.613 1.00 0.04 H new HETATM 0 H141 E2P A 91 -2.510 0.508 0.839 1.00 0.04 H new HETATM 0 H102 E2P A 91 0.355 4.882 1.112 1.00 -0.01 H new HETATM 0 H101 E2P A 91 -0.038 4.741 -0.590 1.00 -0.01 H new HETATM 0 HO6 E2P A 91 4.633 1.106 -1.367 1.00 -0.46 H new HETATM 0 H8 E2P A 91 1.285 1.189 0.792 1.00 -0.14 H new HETATM 0 H79 E2P A 91 -1.932 5.052 1.716 1.00 -0.02 H new HETATM 0 H78 E2P A 91 -2.264 5.286 0.011 1.00 -0.02 H new HETATM 0 H7 E2P A 91 2.307 3.812 -0.351 1.00 0.02 H new HETATM 0 H6 E2P A 91 4.405 2.877 -0.340 1.00 0.16 H new HETATM 0 H52 E2P A 91 4.211 2.808 2.060 1.00 -0.06 H new HETATM 0 H51 E2P A 91 5.308 1.594 1.434 1.00 -0.06 H new HETATM 0 H42 E2P A 91 2.514 0.976 2.473 1.00 -0.07 H new HETATM 0 H41 E2P A 91 3.965 0.910 3.454 1.00 -0.07 H new HETATM 0 H32 E2P A 91 3.795 -1.318 2.895 1.00 -0.07 H new HETATM 0 H31 E2P A 91 4.817 -0.772 1.581 1.00 -0.07 H new HETATM 0 H22 E2P A 91 3.260 -2.159 0.499 1.00 -0.07 H new HETATM 0 H21 E2P A 91 2.624 -0.555 0.192 1.00 -0.07 H new HETATM 0 H16 E2P A 91 -0.907 -1.623 -1.826 1.00 -0.11 H new HETATM 0 H15 E2P A 91 -0.057 0.397 -1.002 1.00 -0.12 H new HETATM 0 H13 E2P A 91 0.807 -2.101 0.878 1.00 -0.12 H new HETATM 0 H12 E2P A 91 1.660 -2.443 2.402 1.00 -0.12 H new HETATM 0 H11 E2P A 91 1.015 -0.814 2.090 1.00 -0.12 H new