USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 41 SER OG : rot 41:sc=-0.00634 USER MOD Set 1.2: A 43 THR OG1 : rot 85:sc= -0.948 USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 THR OG1 : rot 145:sc= 1.1 USER MOD Set 2.3: A 31 THR OG1 : rot 61:sc= 1.01 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.85 K(o=0.85,f=-5.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 0.975 (180deg=0.783) USER MOD Single : A 26 ASN : amide:sc= -4.13! K(o=-4.1!,f=-1) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 3:sc= 1.09 USER MOD Single : A 45 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.74) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 1.13 (180deg=1.01) USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= -0.196 (180deg=-0.732) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0934 K(o=-0.093,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 5.352 4.351 11.053 1.00 0.00 N ATOM 2 CA ARG A 1 5.100 4.496 9.601 1.00 0.00 C ATOM 3 C ARG A 1 6.166 3.742 8.810 1.00 0.00 C ATOM 4 O ARG A 1 7.219 4.300 8.482 1.00 0.00 O ATOM 5 CB ARG A 1 5.113 5.991 9.252 1.00 0.00 C ATOM 6 CG ARG A 1 4.647 6.302 7.836 1.00 0.00 C ATOM 7 CD ARG A 1 4.533 7.801 7.600 1.00 0.00 C ATOM 8 NE ARG A 1 4.009 8.110 6.269 1.00 0.00 N ATOM 9 CZ ARG A 1 3.868 9.350 5.800 1.00 0.00 C ATOM 10 NH1 ARG A 1 4.180 10.395 6.561 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.390 9.543 4.577 1.00 0.00 N ATOM 0 H1 ARG A 1 4.622 4.867 11.585 1.00 0.00 H new ATOM 0 H2 ARG A 1 5.322 3.344 11.312 1.00 0.00 H new ATOM 0 H3 ARG A 1 6.289 4.740 11.283 1.00 0.00 H new ATOM 0 HA ARG A 1 4.130 4.073 9.341 1.00 0.00 H new ATOM 0 HB2 ARG A 1 4.476 6.524 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 1 6.125 6.375 9.383 1.00 0.00 H new ATOM 0 HG2 ARG A 1 5.347 5.873 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.680 5.831 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.881 8.238 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.513 8.262 7.719 1.00 0.00 H new ATOM 0 HE ARG A 1 3.736 7.333 5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.529 10.250 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 1 4.070 11.342 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.132 8.744 3.998 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.281 10.491 4.216 1.00 0.00 H new ATOM 27 N ILE A 2 5.896 2.465 8.535 1.00 0.00 N ATOM 28 CA ILE A 2 6.828 1.615 7.805 1.00 0.00 C ATOM 29 C ILE A 2 7.111 2.133 6.404 1.00 0.00 C ATOM 30 O ILE A 2 6.300 2.835 5.801 1.00 0.00 O ATOM 31 CB ILE A 2 6.303 0.158 7.695 1.00 0.00 C ATOM 32 CG1 ILE A 2 4.802 0.160 7.403 1.00 0.00 C ATOM 33 CG2 ILE A 2 6.582 -0.654 8.961 1.00 0.00 C ATOM 34 CD1 ILE A 2 4.201 -1.227 7.297 1.00 0.00 C ATOM 0 H ILE A 2 5.032 1.997 8.811 1.00 0.00 H new ATOM 0 HA ILE A 2 7.754 1.632 8.380 1.00 0.00 H new ATOM 0 HB ILE A 2 6.839 -0.317 6.873 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.288 0.710 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.623 0.696 6.471 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.197 -1.666 8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.657 -0.694 9.138 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.092 -0.181 9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.134 -1.146 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 2 4.688 -1.774 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.348 -1.760 8.236 1.00 0.00 H new ATOM 46 N PRO A 3 8.290 1.775 5.888 1.00 0.00 N ATOM 47 CA PRO A 3 8.762 2.175 4.553 1.00 0.00 C ATOM 48 C PRO A 3 8.049 1.477 3.395 1.00 0.00 C ATOM 49 O PRO A 3 7.064 0.757 3.580 1.00 0.00 O ATOM 50 CB PRO A 3 10.225 1.731 4.570 1.00 0.00 C ATOM 51 CG PRO A 3 10.229 0.567 5.494 1.00 0.00 C ATOM 52 CD PRO A 3 9.286 0.944 6.593 1.00 0.00 C ATOM 0 HA PRO A 3 8.585 3.237 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.571 1.453 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.881 2.526 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 3 9.902 -0.341 4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.229 0.373 5.881 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.830 0.068 7.055 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.788 1.498 7.386 1.00 0.00 H new ATOM 60 N VAL A 4 8.599 1.682 2.204 1.00 0.00 N ATOM 61 CA VAL A 4 8.094 1.078 0.978 1.00 0.00 C ATOM 62 C VAL A 4 9.254 0.372 0.288 1.00 0.00 C ATOM 63 O VAL A 4 10.403 0.800 0.425 1.00 0.00 O ATOM 64 CB VAL A 4 7.488 2.136 0.019 1.00 0.00 C ATOM 65 CG1 VAL A 4 6.882 1.470 -1.201 1.00 0.00 C ATOM 66 CG2 VAL A 4 6.440 2.980 0.728 1.00 0.00 C ATOM 0 H VAL A 4 9.415 2.277 2.061 1.00 0.00 H new ATOM 0 HA VAL A 4 7.299 0.377 1.233 1.00 0.00 H new ATOM 0 HB VAL A 4 8.296 2.792 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.463 2.230 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.654 0.914 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.093 0.786 -0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.032 3.713 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.638 2.336 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.898 3.496 1.572 1.00 0.00 H new ATOM 76 N LYS A 5 8.983 -0.708 -0.438 1.00 0.00 N ATOM 77 CA LYS A 5 10.059 -1.432 -1.098 1.00 0.00 C ATOM 78 C LYS A 5 9.805 -1.652 -2.586 1.00 0.00 C ATOM 79 O LYS A 5 10.422 -1.003 -3.430 1.00 0.00 O ATOM 80 CB LYS A 5 10.304 -2.777 -0.406 1.00 0.00 C ATOM 81 CG LYS A 5 11.599 -2.836 0.392 1.00 0.00 C ATOM 82 CD LYS A 5 12.814 -2.516 -0.470 1.00 0.00 C ATOM 83 CE LYS A 5 14.038 -2.159 0.372 1.00 0.00 C ATOM 84 NZ LYS A 5 15.218 -1.862 -0.480 1.00 0.00 N ATOM 0 H LYS A 5 8.049 -1.093 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 5 10.948 -0.807 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.468 -2.988 0.261 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.317 -3.565 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.547 -2.131 1.221 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.713 -3.830 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.046 -3.374 -1.101 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.577 -1.686 -1.135 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.812 -1.294 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.272 -2.985 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.031 -1.624 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.448 -2.696 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.002 -1.058 -1.104 1.00 0.00 H new ATOM 98 N TYR A 6 8.935 -2.593 -2.917 1.00 0.00 N ATOM 99 CA TYR A 6 8.669 -2.904 -4.315 1.00 0.00 C ATOM 100 C TYR A 6 7.390 -2.237 -4.806 1.00 0.00 C ATOM 101 O TYR A 6 6.471 -1.987 -4.033 1.00 0.00 O ATOM 102 CB TYR A 6 8.602 -4.424 -4.521 1.00 0.00 C ATOM 103 CG TYR A 6 9.791 -5.168 -3.926 1.00 0.00 C ATOM 104 CD1 TYR A 6 9.820 -5.519 -2.578 1.00 0.00 C ATOM 105 CD2 TYR A 6 10.896 -5.499 -4.707 1.00 0.00 C ATOM 106 CE1 TYR A 6 10.907 -6.172 -2.030 1.00 0.00 C ATOM 107 CE2 TYR A 6 11.982 -6.157 -4.164 1.00 0.00 C ATOM 108 CZ TYR A 6 11.982 -6.489 -2.828 1.00 0.00 C ATOM 109 OH TYR A 6 13.067 -7.134 -2.285 1.00 0.00 O ATOM 0 H TYR A 6 8.406 -3.150 -2.246 1.00 0.00 H new ATOM 0 HA TYR A 6 9.493 -2.506 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.684 -4.804 -4.073 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.547 -4.636 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.976 -5.276 -1.949 1.00 0.00 H new ATOM 0 HD2 TYR A 6 10.904 -5.237 -5.755 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.913 -6.432 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 6 12.828 -6.410 -4.785 1.00 0.00 H new ATOM 0 HH TYR A 6 13.739 -7.286 -2.981 1.00 0.00 H new ATOM 119 N GLY A 7 7.356 -1.947 -6.099 1.00 0.00 N ATOM 120 CA GLY A 7 6.210 -1.300 -6.702 1.00 0.00 C ATOM 121 C GLY A 7 6.628 -0.120 -7.544 1.00 0.00 C ATOM 122 O GLY A 7 7.758 -0.075 -8.032 1.00 0.00 O ATOM 0 H GLY A 7 8.115 -2.152 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.668 -2.016 -7.319 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.524 -0.969 -5.922 1.00 0.00 H new ATOM 126 N ASN A 8 5.735 0.840 -7.727 1.00 0.00 N ATOM 127 CA ASN A 8 6.068 2.008 -8.536 1.00 0.00 C ATOM 128 C ASN A 8 6.335 3.242 -7.666 1.00 0.00 C ATOM 129 O ASN A 8 6.348 4.371 -8.155 1.00 0.00 O ATOM 130 CB ASN A 8 4.979 2.285 -9.582 1.00 0.00 C ATOM 131 CG ASN A 8 3.718 2.889 -9.000 1.00 0.00 C ATOM 132 OD1 ASN A 8 3.303 2.557 -7.887 1.00 0.00 O ATOM 133 ND2 ASN A 8 3.075 3.752 -9.773 1.00 0.00 N ATOM 0 H ASN A 8 4.793 0.838 -7.337 1.00 0.00 H new ATOM 0 HA ASN A 8 6.992 1.784 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.378 2.959 -10.340 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.726 1.352 -10.086 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.201 4.170 -9.454 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.454 3.999 -10.687 1.00 0.00 H new ATOM 140 N ALA A 9 6.578 3.006 -6.383 1.00 0.00 N ATOM 141 CA ALA A 9 6.885 4.071 -5.437 1.00 0.00 C ATOM 142 C ALA A 9 8.380 4.084 -5.153 1.00 0.00 C ATOM 143 O ALA A 9 9.121 3.240 -5.659 1.00 0.00 O ATOM 144 CB ALA A 9 6.131 3.875 -4.135 1.00 0.00 C ATOM 0 H ALA A 9 6.568 2.074 -5.970 1.00 0.00 H new ATOM 0 HA ALA A 9 6.579 5.020 -5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.378 4.683 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.059 3.880 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.414 2.921 -3.691 1.00 0.00 H new ATOM 150 N ASP A 10 8.818 5.013 -4.321 1.00 0.00 N ATOM 151 CA ASP A 10 10.223 5.096 -3.952 1.00 0.00 C ATOM 152 C ASP A 10 10.387 4.818 -2.467 1.00 0.00 C ATOM 153 O ASP A 10 9.641 4.025 -1.894 1.00 0.00 O ATOM 154 CB ASP A 10 10.806 6.466 -4.312 1.00 0.00 C ATOM 155 CG ASP A 10 10.988 6.642 -5.803 1.00 0.00 C ATOM 156 OD1 ASP A 10 11.742 5.854 -6.407 1.00 0.00 O ATOM 157 OD2 ASP A 10 10.380 7.570 -6.368 1.00 0.00 O ATOM 0 H ASP A 10 8.223 5.720 -3.888 1.00 0.00 H new ATOM 0 HA ASP A 10 10.773 4.342 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.148 7.248 -3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.768 6.591 -3.814 1.00 0.00 H new ATOM 162 N GLY A 11 11.362 5.466 -1.846 1.00 0.00 N ATOM 163 CA GLY A 11 11.605 5.267 -0.433 1.00 0.00 C ATOM 164 C GLY A 11 10.649 6.046 0.455 1.00 0.00 C ATOM 165 O GLY A 11 11.077 6.747 1.375 1.00 0.00 O ATOM 0 H GLY A 11 11.991 6.129 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.521 4.205 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.628 5.563 -0.202 1.00 0.00 H new ATOM 169 N GLU A 12 9.354 5.918 0.195 1.00 0.00 N ATOM 170 CA GLU A 12 8.336 6.592 0.986 1.00 0.00 C ATOM 171 C GLU A 12 7.914 5.704 2.144 1.00 0.00 C ATOM 172 O GLU A 12 8.545 4.680 2.409 1.00 0.00 O ATOM 173 CB GLU A 12 7.120 6.936 0.117 1.00 0.00 C ATOM 174 CG GLU A 12 7.204 8.311 -0.522 1.00 0.00 C ATOM 175 CD GLU A 12 6.470 8.404 -1.839 1.00 0.00 C ATOM 176 OE1 GLU A 12 6.042 7.357 -2.364 1.00 0.00 O ATOM 177 OE2 GLU A 12 6.330 9.529 -2.353 1.00 0.00 O ATOM 0 H GLU A 12 8.983 5.348 -0.565 1.00 0.00 H new ATOM 0 HA GLU A 12 8.754 7.519 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.019 6.185 -0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.219 6.882 0.728 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.795 9.050 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.252 8.568 -0.679 1.00 0.00 H new ATOM 184 N TYR A 13 6.843 6.085 2.820 1.00 0.00 N ATOM 185 CA TYR A 13 6.337 5.301 3.932 1.00 0.00 C ATOM 186 C TYR A 13 4.824 5.155 3.804 1.00 0.00 C ATOM 187 O TYR A 13 4.148 6.054 3.299 1.00 0.00 O ATOM 188 CB TYR A 13 6.706 5.909 5.293 1.00 0.00 C ATOM 189 CG TYR A 13 7.887 6.853 5.280 1.00 0.00 C ATOM 190 CD1 TYR A 13 7.767 8.148 4.794 1.00 0.00 C ATOM 191 CD2 TYR A 13 9.119 6.447 5.765 1.00 0.00 C ATOM 192 CE1 TYR A 13 8.841 9.012 4.792 1.00 0.00 C ATOM 193 CE2 TYR A 13 10.202 7.303 5.764 1.00 0.00 C ATOM 194 CZ TYR A 13 10.058 8.587 5.278 1.00 0.00 C ATOM 195 OH TYR A 13 11.134 9.444 5.286 1.00 0.00 O ATOM 0 H TYR A 13 6.309 6.930 2.618 1.00 0.00 H new ATOM 0 HA TYR A 13 6.808 4.319 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.839 6.444 5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.918 5.098 5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.815 8.484 4.411 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.234 5.445 6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.729 10.017 4.412 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.157 6.970 6.142 1.00 0.00 H new ATOM 0 HH TYR A 13 11.914 8.986 5.662 1.00 0.00 H new ATOM 205 N CYS A 14 4.309 4.013 4.240 1.00 0.00 N ATOM 206 CA CYS A 14 2.885 3.715 4.154 1.00 0.00 C ATOM 207 C CYS A 14 2.010 4.765 4.828 1.00 0.00 C ATOM 208 O CYS A 14 2.293 5.219 5.936 1.00 0.00 O ATOM 209 CB CYS A 14 2.604 2.353 4.781 1.00 0.00 C ATOM 210 SG CYS A 14 3.326 0.950 3.877 1.00 0.00 S ATOM 0 H CYS A 14 4.864 3.269 4.662 1.00 0.00 H new ATOM 0 HA CYS A 14 2.631 3.714 3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.988 2.349 5.801 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.525 2.212 4.846 1.00 0.00 H new ATOM 215 N LYS A 15 0.926 5.116 4.152 1.00 0.00 N ATOM 216 CA LYS A 15 -0.032 6.077 4.669 1.00 0.00 C ATOM 217 C LYS A 15 -1.130 5.335 5.422 1.00 0.00 C ATOM 218 O LYS A 15 -1.890 4.571 4.823 1.00 0.00 O ATOM 219 CB LYS A 15 -0.633 6.884 3.515 1.00 0.00 C ATOM 220 CG LYS A 15 -1.756 7.827 3.929 1.00 0.00 C ATOM 221 CD LYS A 15 -1.226 9.103 4.548 1.00 0.00 C ATOM 222 CE LYS A 15 -2.369 9.997 4.999 1.00 0.00 C ATOM 223 NZ LYS A 15 -1.948 11.413 5.147 1.00 0.00 N ATOM 0 H LYS A 15 0.688 4.743 3.233 1.00 0.00 H new ATOM 0 HA LYS A 15 0.469 6.765 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.159 7.466 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.013 6.193 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.363 8.072 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.409 7.323 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.588 8.863 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.606 9.634 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.183 9.935 4.277 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.758 9.634 5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.759 11.986 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.189 11.477 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.601 11.769 4.234 1.00 0.00 H new ATOM 237 N PHE A 16 -1.213 5.549 6.726 1.00 0.00 N ATOM 238 CA PHE A 16 -2.227 4.881 7.534 1.00 0.00 C ATOM 239 C PHE A 16 -3.124 5.888 8.237 1.00 0.00 C ATOM 240 O PHE A 16 -2.655 6.731 9.008 1.00 0.00 O ATOM 241 CB PHE A 16 -1.586 3.952 8.568 1.00 0.00 C ATOM 242 CG PHE A 16 -0.831 2.796 7.973 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.407 1.989 7.003 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.452 2.510 8.396 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.713 0.917 6.471 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.153 1.444 7.870 1.00 0.00 C ATOM 247 CZ PHE A 16 0.573 0.639 6.904 1.00 0.00 C ATOM 0 H PHE A 16 -0.597 6.174 7.246 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.836 4.284 6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.906 4.534 9.191 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.365 3.564 9.224 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.409 2.200 6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.914 3.130 9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.174 0.296 5.717 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.156 1.237 8.212 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.118 -0.197 6.492 1.00 0.00 H new ATOM 257 N PRO A 17 -4.438 5.816 7.984 1.00 0.00 N ATOM 258 CA PRO A 17 -5.023 4.832 7.079 1.00 0.00 C ATOM 259 C PRO A 17 -5.045 5.309 5.631 1.00 0.00 C ATOM 260 O PRO A 17 -4.936 6.504 5.362 1.00 0.00 O ATOM 261 CB PRO A 17 -6.452 4.688 7.605 1.00 0.00 C ATOM 262 CG PRO A 17 -6.764 5.976 8.318 1.00 0.00 C ATOM 263 CD PRO A 17 -5.460 6.697 8.568 1.00 0.00 C ATOM 0 HA PRO A 17 -4.453 3.903 7.064 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.153 4.515 6.788 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.535 3.838 8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.432 6.593 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.276 5.776 9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.453 7.680 8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.289 6.852 9.633 1.00 0.00 H new ATOM 271 N PHE A 18 -5.207 4.379 4.701 1.00 0.00 N ATOM 272 CA PHE A 18 -5.272 4.739 3.293 1.00 0.00 C ATOM 273 C PHE A 18 -6.605 4.287 2.705 1.00 0.00 C ATOM 274 O PHE A 18 -7.204 3.314 3.167 1.00 0.00 O ATOM 275 CB PHE A 18 -4.065 4.190 2.506 1.00 0.00 C ATOM 276 CG PHE A 18 -4.071 2.713 2.217 1.00 0.00 C ATOM 277 CD1 PHE A 18 -4.742 2.211 1.117 1.00 0.00 C ATOM 278 CD2 PHE A 18 -3.387 1.832 3.038 1.00 0.00 C ATOM 279 CE1 PHE A 18 -4.732 0.858 0.837 1.00 0.00 C ATOM 280 CE2 PHE A 18 -3.376 0.479 2.769 1.00 0.00 C ATOM 281 CZ PHE A 18 -4.050 -0.013 1.662 1.00 0.00 C ATOM 0 H PHE A 18 -5.295 3.381 4.893 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.216 5.824 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.004 4.724 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.158 4.426 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.281 2.885 0.468 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.856 2.209 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.258 0.482 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.842 -0.197 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.041 -1.071 1.447 1.00 0.00 H new ATOM 291 N LEU A 19 -7.085 5.030 1.718 1.00 0.00 N ATOM 292 CA LEU A 19 -8.369 4.754 1.088 1.00 0.00 C ATOM 293 C LEU A 19 -8.244 3.835 -0.120 1.00 0.00 C ATOM 294 O LEU A 19 -7.542 4.143 -1.087 1.00 0.00 O ATOM 295 CB LEU A 19 -9.025 6.064 0.655 1.00 0.00 C ATOM 296 CG LEU A 19 -10.438 5.923 0.107 1.00 0.00 C ATOM 297 CD1 LEU A 19 -11.400 5.518 1.212 1.00 0.00 C ATOM 298 CD2 LEU A 19 -10.887 7.219 -0.541 1.00 0.00 C ATOM 0 H LEU A 19 -6.598 5.839 1.332 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.984 4.244 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.048 6.741 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.401 6.532 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.437 5.140 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.405 5.422 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.088 4.563 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.398 6.278 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.899 7.101 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.872 8.020 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.213 7.469 -1.360 1.00 0.00 H new ATOM 310 N PHE A 20 -8.961 2.721 -0.064 1.00 0.00 N ATOM 311 CA PHE A 20 -8.980 1.760 -1.152 1.00 0.00 C ATOM 312 C PHE A 20 -10.421 1.414 -1.496 1.00 0.00 C ATOM 313 O PHE A 20 -11.064 0.651 -0.771 1.00 0.00 O ATOM 314 CB PHE A 20 -8.266 0.475 -0.757 1.00 0.00 C ATOM 315 CG PHE A 20 -7.908 -0.409 -1.912 1.00 0.00 C ATOM 316 CD1 PHE A 20 -7.667 0.101 -3.180 1.00 0.00 C ATOM 317 CD2 PHE A 20 -7.808 -1.770 -1.712 1.00 0.00 C ATOM 318 CE1 PHE A 20 -7.332 -0.748 -4.221 1.00 0.00 C ATOM 319 CE2 PHE A 20 -7.477 -2.619 -2.745 1.00 0.00 C ATOM 320 CZ PHE A 20 -7.238 -2.109 -4.001 1.00 0.00 C ATOM 0 H PHE A 20 -9.542 2.461 0.733 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.472 2.207 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.356 0.730 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.901 -0.084 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.741 1.164 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.992 -2.177 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.144 -0.346 -5.206 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.405 -3.682 -2.570 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.977 -2.771 -4.813 1.00 0.00 H new ATOM 330 N ASN A 21 -10.917 1.960 -2.595 1.00 0.00 N ATOM 331 CA ASN A 21 -12.288 1.699 -3.053 1.00 0.00 C ATOM 332 C ASN A 21 -13.334 1.985 -1.972 1.00 0.00 C ATOM 333 O ASN A 21 -14.354 1.303 -1.888 1.00 0.00 O ATOM 334 CB ASN A 21 -12.429 0.253 -3.529 1.00 0.00 C ATOM 335 CG ASN A 21 -11.541 -0.051 -4.709 1.00 0.00 C ATOM 336 OD1 ASN A 21 -11.607 0.618 -5.741 1.00 0.00 O ATOM 337 ND2 ASN A 21 -10.705 -1.068 -4.571 1.00 0.00 N ATOM 0 H ASN A 21 -10.391 2.594 -3.197 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.474 2.381 -3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.184 -0.422 -2.709 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.467 0.062 -3.800 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.083 -1.324 -5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.683 -1.596 -3.698 1.00 0.00 H new ATOM 344 N GLY A 22 -13.090 3.004 -1.159 1.00 0.00 N ATOM 345 CA GLY A 22 -14.036 3.370 -0.120 1.00 0.00 C ATOM 346 C GLY A 22 -13.736 2.779 1.244 1.00 0.00 C ATOM 347 O GLY A 22 -14.391 3.127 2.226 1.00 0.00 O ATOM 0 H GLY A 22 -12.253 3.585 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.058 4.456 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.033 3.054 -0.427 1.00 0.00 H new ATOM 351 N LYS A 23 -12.757 1.901 1.324 1.00 0.00 N ATOM 352 CA LYS A 23 -12.409 1.290 2.599 1.00 0.00 C ATOM 353 C LYS A 23 -11.066 1.820 3.084 1.00 0.00 C ATOM 354 O LYS A 23 -10.161 2.054 2.287 1.00 0.00 O ATOM 355 CB LYS A 23 -12.383 -0.239 2.458 1.00 0.00 C ATOM 356 CG LYS A 23 -12.682 -1.005 3.748 1.00 0.00 C ATOM 357 CD LYS A 23 -11.463 -1.109 4.650 1.00 0.00 C ATOM 358 CE LYS A 23 -11.800 -1.787 5.972 1.00 0.00 C ATOM 359 NZ LYS A 23 -10.591 -2.000 6.815 1.00 0.00 N ATOM 0 H LYS A 23 -12.191 1.594 0.533 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.163 1.551 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.109 -0.533 1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.401 -0.540 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -13.488 -0.506 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.035 -2.006 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.680 -1.671 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.066 -0.112 4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.520 -1.178 6.518 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.278 -2.747 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.881 -2.189 7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.052 -2.812 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.995 -1.148 6.788 1.00 0.00 H new ATOM 373 N GLU A 24 -10.953 2.018 4.392 1.00 0.00 N ATOM 374 CA GLU A 24 -9.722 2.528 4.988 1.00 0.00 C ATOM 375 C GLU A 24 -8.928 1.404 5.639 1.00 0.00 C ATOM 376 O GLU A 24 -9.483 0.585 6.365 1.00 0.00 O ATOM 377 CB GLU A 24 -10.038 3.603 6.030 1.00 0.00 C ATOM 378 CG GLU A 24 -10.812 4.785 5.480 1.00 0.00 C ATOM 379 CD GLU A 24 -10.939 5.905 6.482 1.00 0.00 C ATOM 380 OE1 GLU A 24 -11.525 5.677 7.561 1.00 0.00 O ATOM 381 OE2 GLU A 24 -10.444 7.011 6.200 1.00 0.00 O ATOM 0 H GLU A 24 -11.700 1.833 5.062 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.121 2.966 4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.611 3.152 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.104 3.962 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.314 5.157 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.807 4.456 5.179 1.00 0.00 H new ATOM 388 N TYR A 25 -7.628 1.366 5.380 1.00 0.00 N ATOM 389 CA TYR A 25 -6.776 0.332 5.949 1.00 0.00 C ATOM 390 C TYR A 25 -5.761 0.917 6.919 1.00 0.00 C ATOM 391 O TYR A 25 -5.002 1.822 6.573 1.00 0.00 O ATOM 392 CB TYR A 25 -6.059 -0.433 4.844 1.00 0.00 C ATOM 393 CG TYR A 25 -6.993 -1.215 3.951 1.00 0.00 C ATOM 394 CD1 TYR A 25 -7.666 -2.333 4.424 1.00 0.00 C ATOM 395 CD2 TYR A 25 -7.212 -0.823 2.639 1.00 0.00 C ATOM 396 CE1 TYR A 25 -8.534 -3.040 3.608 1.00 0.00 C ATOM 397 CE2 TYR A 25 -8.076 -1.527 1.818 1.00 0.00 C ATOM 398 CZ TYR A 25 -8.733 -2.631 2.308 1.00 0.00 C ATOM 399 OH TYR A 25 -9.592 -3.331 1.496 1.00 0.00 O ATOM 0 H TYR A 25 -7.143 2.036 4.783 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.416 -0.354 6.503 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.491 0.270 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.340 -1.118 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.511 -2.656 5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.700 0.046 2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.052 -3.908 3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.233 -1.211 0.797 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.620 -2.911 0.611 1.00 0.00 H new ATOM 409 N ASN A 26 -5.746 0.378 8.131 1.00 0.00 N ATOM 410 CA ASN A 26 -4.810 0.819 9.164 1.00 0.00 C ATOM 411 C ASN A 26 -3.518 0.035 9.044 1.00 0.00 C ATOM 412 O ASN A 26 -2.527 0.332 9.708 1.00 0.00 O ATOM 413 CB ASN A 26 -5.394 0.630 10.570 1.00 0.00 C ATOM 414 CG ASN A 26 -6.493 1.617 10.916 1.00 0.00 C ATOM 415 OD1 ASN A 26 -6.957 1.664 12.055 1.00 0.00 O ATOM 416 ND2 ASN A 26 -6.918 2.407 9.944 1.00 0.00 N ATOM 0 H ASN A 26 -6.374 -0.369 8.427 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.620 1.882 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -5.788 -0.383 10.656 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.592 0.723 11.302 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -7.657 3.087 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -6.507 2.337 9.013 1.00 0.00 H new ATOM 423 N SER A 27 -3.541 -0.963 8.180 1.00 0.00 N ATOM 424 CA SER A 27 -2.385 -1.796 7.941 1.00 0.00 C ATOM 425 C SER A 27 -2.318 -2.166 6.466 1.00 0.00 C ATOM 426 O SER A 27 -3.185 -1.779 5.683 1.00 0.00 O ATOM 427 CB SER A 27 -2.439 -3.052 8.814 1.00 0.00 C ATOM 428 OG SER A 27 -3.681 -3.726 8.677 1.00 0.00 O ATOM 0 H SER A 27 -4.360 -1.216 7.628 1.00 0.00 H new ATOM 0 HA SER A 27 -1.485 -1.242 8.206 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.626 -3.724 8.538 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.285 -2.778 9.858 1.00 0.00 H new ATOM 0 HG SER A 27 -3.684 -4.524 9.245 1.00 0.00 H new ATOM 434 N CYS A 28 -1.293 -2.908 6.090 1.00 0.00 N ATOM 435 CA CYS A 28 -1.124 -3.325 4.706 1.00 0.00 C ATOM 436 C CYS A 28 -2.058 -4.486 4.387 1.00 0.00 C ATOM 437 O CYS A 28 -2.217 -5.398 5.194 1.00 0.00 O ATOM 438 CB CYS A 28 0.326 -3.719 4.469 1.00 0.00 C ATOM 439 SG CYS A 28 1.507 -2.446 5.016 1.00 0.00 S ATOM 0 H CYS A 28 -0.563 -3.236 6.723 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.377 -2.496 4.045 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.534 -4.650 4.995 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.475 -3.913 3.407 1.00 0.00 H new ATOM 444 N THR A 29 -2.684 -4.441 3.218 1.00 0.00 N ATOM 445 CA THR A 29 -3.612 -5.482 2.813 1.00 0.00 C ATOM 446 C THR A 29 -3.176 -6.119 1.495 1.00 0.00 C ATOM 447 O THR A 29 -2.403 -5.523 0.745 1.00 0.00 O ATOM 448 CB THR A 29 -5.031 -4.895 2.680 1.00 0.00 C ATOM 449 OG1 THR A 29 -5.972 -5.908 2.368 1.00 0.00 O ATOM 450 CG2 THR A 29 -5.152 -3.819 1.616 1.00 0.00 C ATOM 0 H THR A 29 -2.564 -3.693 2.535 1.00 0.00 H new ATOM 0 HA THR A 29 -3.616 -6.259 3.578 1.00 0.00 H new ATOM 0 HB THR A 29 -5.237 -4.445 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.825 -5.709 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.179 -3.455 1.582 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.482 -2.993 1.856 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.882 -4.235 0.645 1.00 0.00 H new ATOM 458 N ASP A 30 -3.686 -7.319 1.212 1.00 0.00 N ATOM 459 CA ASP A 30 -3.367 -8.013 -0.032 1.00 0.00 C ATOM 460 C ASP A 30 -4.519 -7.858 -1.008 1.00 0.00 C ATOM 461 O ASP A 30 -4.565 -8.524 -2.042 1.00 0.00 O ATOM 462 CB ASP A 30 -3.096 -9.497 0.182 1.00 0.00 C ATOM 463 CG ASP A 30 -2.794 -9.861 1.615 1.00 0.00 C ATOM 464 OD1 ASP A 30 -1.735 -9.456 2.118 1.00 0.00 O ATOM 465 OD2 ASP A 30 -3.619 -10.555 2.237 1.00 0.00 O ATOM 0 H ASP A 30 -4.320 -7.828 1.828 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.458 -7.562 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.963 -10.067 -0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.256 -9.797 -0.444 1.00 0.00 H new ATOM 470 N THR A 31 -5.450 -6.975 -0.664 1.00 0.00 N ATOM 471 CA THR A 31 -6.618 -6.711 -1.494 1.00 0.00 C ATOM 472 C THR A 31 -6.188 -6.125 -2.833 1.00 0.00 C ATOM 473 O THR A 31 -5.341 -5.237 -2.884 1.00 0.00 O ATOM 474 CB THR A 31 -7.551 -5.734 -0.781 1.00 0.00 C ATOM 475 OG1 THR A 31 -7.863 -6.195 0.526 1.00 0.00 O ATOM 476 CG2 THR A 31 -8.863 -5.511 -1.499 1.00 0.00 C ATOM 0 H THR A 31 -5.416 -6.425 0.194 1.00 0.00 H new ATOM 0 HA THR A 31 -7.144 -7.649 -1.669 1.00 0.00 H new ATOM 0 HB THR A 31 -7.002 -4.793 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.040 -6.266 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.472 -4.806 -0.933 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.670 -5.107 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.394 -6.459 -1.589 1.00 0.00 H new ATOM 484 N GLY A 32 -6.759 -6.632 -3.911 1.00 0.00 N ATOM 485 CA GLY A 32 -6.404 -6.157 -5.227 1.00 0.00 C ATOM 486 C GLY A 32 -5.215 -6.919 -5.790 1.00 0.00 C ATOM 487 O GLY A 32 -4.986 -6.929 -7.001 1.00 0.00 O ATOM 0 H GLY A 32 -7.465 -7.368 -3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.257 -6.265 -5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.168 -5.094 -5.180 1.00 0.00 H new ATOM 491 N ARG A 33 -4.467 -7.561 -4.896 1.00 0.00 N ATOM 492 CA ARG A 33 -3.295 -8.343 -5.266 1.00 0.00 C ATOM 493 C ARG A 33 -3.636 -9.828 -5.289 1.00 0.00 C ATOM 494 O ARG A 33 -4.237 -10.347 -4.348 1.00 0.00 O ATOM 495 CB ARG A 33 -2.163 -8.090 -4.268 1.00 0.00 C ATOM 496 CG ARG A 33 -1.670 -6.651 -4.247 1.00 0.00 C ATOM 497 CD ARG A 33 -1.032 -6.228 -5.569 1.00 0.00 C ATOM 498 NE ARG A 33 0.066 -7.110 -5.974 1.00 0.00 N ATOM 499 CZ ARG A 33 0.898 -6.851 -6.980 1.00 0.00 C ATOM 500 NH1 ARG A 33 0.805 -5.711 -7.650 1.00 0.00 N ATOM 501 NH2 ARG A 33 1.829 -7.734 -7.307 1.00 0.00 N ATOM 0 H ARG A 33 -4.658 -7.552 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.973 -8.039 -6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.505 -8.361 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.327 -8.747 -4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.506 -5.988 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.944 -6.532 -3.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.793 -6.220 -6.349 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.659 -5.208 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 33 0.201 -7.976 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.093 -5.027 -7.395 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.446 -5.518 -8.420 1.00 0.00 H new ATOM 0 HH21 ARG A 33 1.907 -8.609 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.469 -7.539 -8.077 1.00 0.00 H new ATOM 515 N SER A 34 -3.253 -10.510 -6.355 1.00 0.00 N ATOM 516 CA SER A 34 -3.529 -11.934 -6.480 1.00 0.00 C ATOM 517 C SER A 34 -2.404 -12.772 -5.874 1.00 0.00 C ATOM 518 O SER A 34 -2.536 -13.990 -5.729 1.00 0.00 O ATOM 519 CB SER A 34 -3.725 -12.302 -7.951 1.00 0.00 C ATOM 520 OG SER A 34 -4.804 -11.570 -8.522 1.00 0.00 O ATOM 0 H SER A 34 -2.752 -10.104 -7.145 1.00 0.00 H new ATOM 0 HA SER A 34 -4.444 -12.151 -5.929 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.809 -12.098 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.919 -13.371 -8.039 1.00 0.00 H new ATOM 0 HG SER A 34 -4.908 -11.822 -9.463 1.00 0.00 H new ATOM 526 N ASP A 35 -1.288 -12.128 -5.551 1.00 0.00 N ATOM 527 CA ASP A 35 -0.139 -12.827 -5.002 1.00 0.00 C ATOM 528 C ASP A 35 -0.152 -12.872 -3.483 1.00 0.00 C ATOM 529 O ASP A 35 0.760 -13.419 -2.861 1.00 0.00 O ATOM 530 CB ASP A 35 1.147 -12.171 -5.471 1.00 0.00 C ATOM 531 CG ASP A 35 0.955 -11.097 -6.519 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.395 -10.030 -6.181 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.360 -11.313 -7.675 1.00 0.00 O ATOM 0 H ASP A 35 -1.158 -11.122 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.194 -13.853 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.653 -11.735 -4.610 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.807 -12.940 -5.873 1.00 0.00 H new ATOM 538 N GLY A 36 -1.172 -12.285 -2.892 1.00 0.00 N ATOM 539 CA GLY A 36 -1.271 -12.257 -1.445 1.00 0.00 C ATOM 540 C GLY A 36 -0.184 -11.405 -0.810 1.00 0.00 C ATOM 541 O GLY A 36 0.281 -11.702 0.289 1.00 0.00 O ATOM 0 H GLY A 36 -1.938 -11.825 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.248 -11.869 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.205 -13.274 -1.059 1.00 0.00 H new ATOM 545 N PHE A 37 0.224 -10.344 -1.497 1.00 0.00 N ATOM 546 CA PHE A 37 1.258 -9.463 -0.974 1.00 0.00 C ATOM 547 C PHE A 37 0.638 -8.236 -0.325 1.00 0.00 C ATOM 548 O PHE A 37 -0.264 -7.617 -0.891 1.00 0.00 O ATOM 549 CB PHE A 37 2.226 -9.038 -2.078 1.00 0.00 C ATOM 550 CG PHE A 37 3.253 -10.085 -2.411 1.00 0.00 C ATOM 551 CD1 PHE A 37 4.081 -10.602 -1.426 1.00 0.00 C ATOM 552 CD2 PHE A 37 3.391 -10.552 -3.706 1.00 0.00 C ATOM 553 CE1 PHE A 37 5.025 -11.567 -1.729 1.00 0.00 C ATOM 554 CE2 PHE A 37 4.329 -11.515 -4.014 1.00 0.00 C ATOM 555 CZ PHE A 37 5.150 -12.024 -3.025 1.00 0.00 C ATOM 0 H PHE A 37 -0.143 -10.075 -2.410 1.00 0.00 H new ATOM 0 HA PHE A 37 1.817 -10.016 -0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.657 -8.799 -2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.736 -8.125 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.988 -10.247 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.756 -10.157 -4.486 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.663 -11.962 -0.952 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.422 -11.872 -5.029 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.886 -12.776 -3.266 1.00 0.00 H new ATOM 565 N LEU A 38 1.132 -7.889 0.857 1.00 0.00 N ATOM 566 CA LEU A 38 0.626 -6.736 1.587 1.00 0.00 C ATOM 567 C LEU A 38 1.208 -5.453 1.015 1.00 0.00 C ATOM 568 O LEU A 38 2.426 -5.296 0.928 1.00 0.00 O ATOM 569 CB LEU A 38 0.971 -6.834 3.073 1.00 0.00 C ATOM 570 CG LEU A 38 0.426 -8.060 3.817 1.00 0.00 C ATOM 571 CD1 LEU A 38 1.316 -9.276 3.606 1.00 0.00 C ATOM 572 CD2 LEU A 38 0.279 -7.755 5.298 1.00 0.00 C ATOM 0 H LEU A 38 1.883 -8.391 1.330 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.459 -6.722 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.056 -6.827 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.599 -5.938 3.571 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.557 -8.294 3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.902 -10.128 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.366 -9.510 2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.318 -9.062 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.109 -8.634 5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.251 -7.490 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.411 -6.922 5.431 1.00 0.00 H new ATOM 584 N TRP A 39 0.337 -4.538 0.627 1.00 0.00 N ATOM 585 CA TRP A 39 0.766 -3.266 0.061 1.00 0.00 C ATOM 586 C TRP A 39 0.086 -2.108 0.776 1.00 0.00 C ATOM 587 O TRP A 39 -0.804 -2.304 1.604 1.00 0.00 O ATOM 588 CB TRP A 39 0.459 -3.202 -1.447 1.00 0.00 C ATOM 589 CG TRP A 39 -1.008 -3.237 -1.782 1.00 0.00 C ATOM 590 CD1 TRP A 39 -1.798 -4.345 -1.886 1.00 0.00 C ATOM 591 CD2 TRP A 39 -1.865 -2.117 -2.055 1.00 0.00 C ATOM 592 NE1 TRP A 39 -3.080 -3.986 -2.191 1.00 0.00 N ATOM 593 CE2 TRP A 39 -3.150 -2.628 -2.305 1.00 0.00 C ATOM 594 CE3 TRP A 39 -1.677 -0.734 -2.113 1.00 0.00 C ATOM 595 CZ2 TRP A 39 -4.232 -1.808 -2.606 1.00 0.00 C ATOM 596 CZ3 TRP A 39 -2.758 0.077 -2.416 1.00 0.00 C ATOM 597 CH2 TRP A 39 -4.018 -0.465 -2.657 1.00 0.00 C ATOM 0 H TRP A 39 -0.675 -4.650 0.693 1.00 0.00 H new ATOM 0 HA TRP A 39 1.844 -3.185 0.199 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.891 -2.289 -1.856 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.953 -4.038 -1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -1.458 -5.361 -1.747 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.861 -4.631 -2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.704 -0.304 -1.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.211 -2.224 -2.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.622 1.147 -2.466 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.842 0.194 -2.889 1.00 0.00 H new ATOM 608 N CYS A 40 0.510 -0.901 0.451 1.00 0.00 N ATOM 609 CA CYS A 40 -0.046 0.297 1.045 1.00 0.00 C ATOM 610 C CYS A 40 0.083 1.451 0.061 1.00 0.00 C ATOM 611 O CYS A 40 0.858 1.371 -0.893 1.00 0.00 O ATOM 612 CB CYS A 40 0.711 0.631 2.330 1.00 0.00 C ATOM 613 SG CYS A 40 2.462 1.072 2.047 1.00 0.00 S ATOM 0 H CYS A 40 1.248 -0.725 -0.231 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.098 0.134 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.212 1.460 2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.664 -0.225 3.004 1.00 0.00 H new ATOM 618 N SER A 41 -0.648 2.527 0.294 1.00 0.00 N ATOM 619 CA SER A 41 -0.563 3.683 -0.576 1.00 0.00 C ATOM 620 C SER A 41 0.185 4.790 0.144 1.00 0.00 C ATOM 621 O SER A 41 0.326 4.756 1.366 1.00 0.00 O ATOM 622 CB SER A 41 -1.950 4.163 -0.995 1.00 0.00 C ATOM 623 OG SER A 41 -1.859 5.195 -1.962 1.00 0.00 O ATOM 0 H SER A 41 -1.301 2.623 1.072 1.00 0.00 H new ATOM 0 HA SER A 41 -0.026 3.404 -1.482 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.520 3.328 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.493 4.525 -0.122 1.00 0.00 H new ATOM 0 HG SER A 41 -1.153 4.979 -2.606 1.00 0.00 H new ATOM 629 N THR A 42 0.665 5.755 -0.609 1.00 0.00 N ATOM 630 CA THR A 42 1.407 6.862 -0.034 1.00 0.00 C ATOM 631 C THR A 42 0.608 8.153 -0.166 1.00 0.00 C ATOM 632 O THR A 42 0.924 9.167 0.455 1.00 0.00 O ATOM 633 CB THR A 42 2.760 6.998 -0.740 1.00 0.00 C ATOM 634 OG1 THR A 42 3.324 5.723 -0.989 1.00 0.00 O ATOM 635 CG2 THR A 42 3.776 7.790 0.047 1.00 0.00 C ATOM 0 H THR A 42 0.556 5.798 -1.622 1.00 0.00 H new ATOM 0 HA THR A 42 1.578 6.668 1.025 1.00 0.00 H new ATOM 0 HB THR A 42 2.544 7.531 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.187 5.830 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.709 7.845 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.397 8.797 0.220 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.957 7.301 1.004 1.00 0.00 H new ATOM 643 N THR A 43 -0.421 8.110 -0.999 1.00 0.00 N ATOM 644 CA THR A 43 -1.257 9.270 -1.240 1.00 0.00 C ATOM 645 C THR A 43 -2.662 9.073 -0.694 1.00 0.00 C ATOM 646 O THR A 43 -3.612 9.664 -1.209 1.00 0.00 O ATOM 647 CB THR A 43 -1.315 9.520 -2.741 1.00 0.00 C ATOM 648 OG1 THR A 43 -1.710 8.338 -3.426 1.00 0.00 O ATOM 649 CG2 THR A 43 0.009 9.953 -3.322 1.00 0.00 C ATOM 0 H THR A 43 -0.696 7.278 -1.521 1.00 0.00 H new ATOM 0 HA THR A 43 -0.825 10.128 -0.724 1.00 0.00 H new ATOM 0 HB THR A 43 -2.039 10.324 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.688 8.277 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.100 10.115 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.330 10.880 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.755 9.178 -3.146 1.00 0.00 H new ATOM 657 N TYR A 44 -2.784 8.227 0.331 1.00 0.00 N ATOM 658 CA TYR A 44 -4.074 7.918 0.946 1.00 0.00 C ATOM 659 C TYR A 44 -4.958 7.152 -0.039 1.00 0.00 C ATOM 660 O TYR A 44 -5.090 5.938 0.055 1.00 0.00 O ATOM 661 CB TYR A 44 -4.779 9.192 1.435 1.00 0.00 C ATOM 662 CG TYR A 44 -6.122 8.938 2.096 1.00 0.00 C ATOM 663 CD1 TYR A 44 -6.223 8.183 3.263 1.00 0.00 C ATOM 664 CD2 TYR A 44 -7.290 9.453 1.555 1.00 0.00 C ATOM 665 CE1 TYR A 44 -7.447 7.957 3.863 1.00 0.00 C ATOM 666 CE2 TYR A 44 -8.514 9.230 2.150 1.00 0.00 C ATOM 667 CZ TYR A 44 -8.588 8.482 3.301 1.00 0.00 C ATOM 668 OH TYR A 44 -9.811 8.265 3.890 1.00 0.00 O ATOM 0 H TYR A 44 -1.995 7.740 0.755 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.893 7.288 1.817 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.129 9.706 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.923 9.863 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.330 7.768 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.240 10.040 0.650 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.508 7.371 4.768 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.412 9.642 1.713 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.689 7.760 4.721 1.00 0.00 H new ATOM 678 N ASN A 45 -5.528 7.863 -1.003 1.00 0.00 N ATOM 679 CA ASN A 45 -6.370 7.243 -2.020 1.00 0.00 C ATOM 680 C ASN A 45 -5.483 6.747 -3.155 1.00 0.00 C ATOM 681 O ASN A 45 -4.814 7.539 -3.817 1.00 0.00 O ATOM 682 CB ASN A 45 -7.407 8.253 -2.536 1.00 0.00 C ATOM 683 CG ASN A 45 -8.500 7.681 -3.393 1.00 0.00 C ATOM 684 OD1 ASN A 45 -9.501 8.351 -3.635 1.00 0.00 O ATOM 685 ND2 ASN A 45 -8.345 6.477 -3.887 1.00 0.00 N ATOM 0 H ASN A 45 -5.423 8.873 -1.103 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.911 6.399 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.863 8.748 -1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.886 9.021 -3.108 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.065 6.076 -4.488 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.504 5.941 -3.671 1.00 0.00 H new ATOM 692 N PHE A 46 -5.456 5.439 -3.342 1.00 0.00 N ATOM 693 CA PHE A 46 -4.626 4.811 -4.368 1.00 0.00 C ATOM 694 C PHE A 46 -5.029 5.241 -5.783 1.00 0.00 C ATOM 695 O PHE A 46 -4.181 5.575 -6.604 1.00 0.00 O ATOM 696 CB PHE A 46 -4.738 3.289 -4.234 1.00 0.00 C ATOM 697 CG PHE A 46 -3.864 2.508 -5.192 1.00 0.00 C ATOM 698 CD1 PHE A 46 -2.703 3.053 -5.735 1.00 0.00 C ATOM 699 CD2 PHE A 46 -4.207 1.214 -5.550 1.00 0.00 C ATOM 700 CE1 PHE A 46 -1.920 2.323 -6.610 1.00 0.00 C ATOM 701 CE2 PHE A 46 -3.425 0.486 -6.423 1.00 0.00 C ATOM 702 CZ PHE A 46 -2.283 1.041 -6.953 1.00 0.00 C ATOM 0 H PHE A 46 -6.005 4.779 -2.791 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.596 5.134 -4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.479 3.007 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.777 2.999 -4.391 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.411 4.058 -5.469 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.101 0.768 -5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -1.023 2.759 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.710 -0.521 -6.691 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.672 0.471 -7.637 1.00 0.00 H new ATOM 712 N GLU A 47 -6.322 5.187 -6.053 1.00 0.00 N ATOM 713 CA GLU A 47 -6.883 5.516 -7.363 1.00 0.00 C ATOM 714 C GLU A 47 -6.495 6.902 -7.889 1.00 0.00 C ATOM 715 O GLU A 47 -6.160 7.049 -9.065 1.00 0.00 O ATOM 716 CB GLU A 47 -8.408 5.431 -7.283 1.00 0.00 C ATOM 717 CG GLU A 47 -9.096 5.405 -8.641 1.00 0.00 C ATOM 718 CD GLU A 47 -10.601 5.338 -8.532 1.00 0.00 C ATOM 719 OE1 GLU A 47 -11.113 5.193 -7.404 1.00 0.00 O ATOM 720 OE2 GLU A 47 -11.274 5.431 -9.575 1.00 0.00 O ATOM 0 H GLU A 47 -7.023 4.911 -5.366 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.465 4.793 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.684 4.533 -6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.780 6.283 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.816 6.296 -9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.738 4.546 -9.208 1.00 0.00 H new ATOM 727 N LYS A 48 -6.610 7.921 -7.049 1.00 0.00 N ATOM 728 CA LYS A 48 -6.338 9.300 -7.489 1.00 0.00 C ATOM 729 C LYS A 48 -4.879 9.553 -7.916 1.00 0.00 C ATOM 730 O LYS A 48 -4.639 10.329 -8.842 1.00 0.00 O ATOM 731 CB LYS A 48 -6.778 10.325 -6.430 1.00 0.00 C ATOM 732 CG LYS A 48 -6.004 10.285 -5.122 1.00 0.00 C ATOM 733 CD LYS A 48 -6.569 11.293 -4.131 1.00 0.00 C ATOM 734 CE LYS A 48 -5.703 11.412 -2.887 1.00 0.00 C ATOM 735 NZ LYS A 48 -4.362 11.985 -3.181 1.00 0.00 N ATOM 0 H LYS A 48 -6.885 7.831 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.940 9.434 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.687 11.324 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.834 10.167 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.052 9.283 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.952 10.502 -5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.650 12.268 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.577 10.994 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.210 12.039 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.583 10.427 -2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.842 12.125 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.832 11.332 -3.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.473 12.899 -3.664 1.00 0.00 H new ATOM 749 N ASP A 49 -3.904 8.929 -7.261 1.00 0.00 N ATOM 750 CA ASP A 49 -2.503 9.153 -7.629 1.00 0.00 C ATOM 751 C ASP A 49 -1.917 7.969 -8.386 1.00 0.00 C ATOM 752 O ASP A 49 -1.424 8.124 -9.503 1.00 0.00 O ATOM 753 CB ASP A 49 -1.661 9.484 -6.397 1.00 0.00 C ATOM 754 CG ASP A 49 -1.956 10.868 -5.864 1.00 0.00 C ATOM 755 OD1 ASP A 49 -3.050 11.071 -5.312 1.00 0.00 O ATOM 756 OD2 ASP A 49 -1.095 11.757 -6.000 1.00 0.00 O ATOM 0 H ASP A 49 -4.049 8.278 -6.489 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.479 10.010 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.854 8.747 -5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.603 9.411 -6.650 1.00 0.00 H new ATOM 761 N GLY A 50 -1.984 6.784 -7.799 1.00 0.00 N ATOM 762 CA GLY A 50 -1.472 5.609 -8.474 1.00 0.00 C ATOM 763 C GLY A 50 -0.165 5.090 -7.911 1.00 0.00 C ATOM 764 O GLY A 50 0.411 4.147 -8.457 1.00 0.00 O ATOM 0 H GLY A 50 -2.380 6.615 -6.875 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.219 4.817 -8.418 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.333 5.842 -9.530 1.00 0.00 H new ATOM 768 N LYS A 51 0.312 5.682 -6.824 1.00 0.00 N ATOM 769 CA LYS A 51 1.562 5.232 -6.222 1.00 0.00 C ATOM 770 C LYS A 51 1.297 4.224 -5.115 1.00 0.00 C ATOM 771 O LYS A 51 0.580 4.509 -4.151 1.00 0.00 O ATOM 772 CB LYS A 51 2.386 6.414 -5.687 1.00 0.00 C ATOM 773 CG LYS A 51 2.999 7.281 -6.775 1.00 0.00 C ATOM 774 CD LYS A 51 2.208 8.561 -7.000 1.00 0.00 C ATOM 775 CE LYS A 51 2.407 9.547 -5.858 1.00 0.00 C ATOM 776 NZ LYS A 51 3.850 9.849 -5.621 1.00 0.00 N ATOM 0 H LYS A 51 -0.138 6.463 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 51 2.145 4.744 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.747 7.035 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.183 6.030 -5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.024 7.532 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.045 6.715 -7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.518 9.022 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.149 8.323 -7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.876 10.472 -6.082 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.968 9.139 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.937 10.751 -5.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.275 9.088 -5.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.345 9.918 -6.533 1.00 0.00 H new ATOM 790 N TYR A 52 1.884 3.044 -5.264 1.00 0.00 N ATOM 791 CA TYR A 52 1.724 1.982 -4.297 1.00 0.00 C ATOM 792 C TYR A 52 3.053 1.264 -4.098 1.00 0.00 C ATOM 793 O TYR A 52 3.953 1.355 -4.938 1.00 0.00 O ATOM 794 CB TYR A 52 0.659 0.981 -4.771 1.00 0.00 C ATOM 795 CG TYR A 52 1.145 0.019 -5.838 1.00 0.00 C ATOM 796 CD1 TYR A 52 1.045 0.330 -7.188 1.00 0.00 C ATOM 797 CD2 TYR A 52 1.714 -1.197 -5.486 1.00 0.00 C ATOM 798 CE1 TYR A 52 1.496 -0.548 -8.155 1.00 0.00 C ATOM 799 CE2 TYR A 52 2.166 -2.078 -6.443 1.00 0.00 C ATOM 800 CZ TYR A 52 2.056 -1.752 -7.776 1.00 0.00 C ATOM 801 OH TYR A 52 2.508 -2.634 -8.729 1.00 0.00 O ATOM 0 H TYR A 52 2.480 2.803 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 52 1.400 2.415 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.307 0.408 -3.913 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.197 1.534 -5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.608 1.272 -7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.804 -1.457 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.411 -0.294 -9.201 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.605 -3.020 -6.149 1.00 0.00 H new ATOM 0 HH TYR A 52 2.873 -3.431 -8.290 1.00 0.00 H new ATOM 811 N GLY A 53 3.162 0.533 -3.005 1.00 0.00 N ATOM 812 CA GLY A 53 4.362 -0.213 -2.729 1.00 0.00 C ATOM 813 C GLY A 53 4.121 -1.288 -1.704 1.00 0.00 C ATOM 814 O GLY A 53 3.117 -1.259 -0.989 1.00 0.00 O ATOM 0 H GLY A 53 2.432 0.444 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.731 -0.664 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.138 0.464 -2.372 1.00 0.00 H new ATOM 818 N PHE A 54 5.031 -2.238 -1.631 1.00 0.00 N ATOM 819 CA PHE A 54 4.895 -3.325 -0.689 1.00 0.00 C ATOM 820 C PHE A 54 5.622 -2.997 0.603 1.00 0.00 C ATOM 821 O PHE A 54 6.770 -2.547 0.584 1.00 0.00 O ATOM 822 CB PHE A 54 5.415 -4.624 -1.289 1.00 0.00 C ATOM 823 CG PHE A 54 4.678 -5.032 -2.534 1.00 0.00 C ATOM 824 CD1 PHE A 54 3.328 -5.336 -2.490 1.00 0.00 C ATOM 825 CD2 PHE A 54 5.335 -5.095 -3.749 1.00 0.00 C ATOM 826 CE1 PHE A 54 2.649 -5.695 -3.637 1.00 0.00 C ATOM 827 CE2 PHE A 54 4.664 -5.457 -4.898 1.00 0.00 C ATOM 828 CZ PHE A 54 3.319 -5.756 -4.842 1.00 0.00 C ATOM 0 H PHE A 54 5.869 -2.278 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 54 3.837 -3.458 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.474 -4.512 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.333 -5.419 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.801 -5.292 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.387 -4.858 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.595 -5.928 -3.591 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.191 -5.506 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.790 -6.038 -5.741 1.00 0.00 H new ATOM 838 N CYS A 55 4.931 -3.203 1.712 1.00 0.00 N ATOM 839 CA CYS A 55 5.470 -2.919 3.041 1.00 0.00 C ATOM 840 C CYS A 55 6.564 -3.908 3.445 1.00 0.00 C ATOM 841 O CYS A 55 7.652 -3.487 3.839 1.00 0.00 O ATOM 842 CB CYS A 55 4.342 -2.935 4.072 1.00 0.00 C ATOM 843 SG CYS A 55 2.772 -2.258 3.448 1.00 0.00 S ATOM 0 H CYS A 55 3.980 -3.572 1.721 1.00 0.00 H new ATOM 0 HA CYS A 55 5.925 -1.929 3.006 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.179 -3.960 4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.652 -2.363 4.946 1.00 0.00 H new ATOM 848 N PRO A 56 6.315 -5.238 3.377 1.00 0.00 N ATOM 849 CA PRO A 56 7.325 -6.223 3.762 1.00 0.00 C ATOM 850 C PRO A 56 8.526 -6.238 2.821 1.00 0.00 C ATOM 851 O PRO A 56 8.374 -6.315 1.601 1.00 0.00 O ATOM 852 CB PRO A 56 6.587 -7.559 3.693 1.00 0.00 C ATOM 853 CG PRO A 56 5.453 -7.326 2.753 1.00 0.00 C ATOM 854 CD PRO A 56 5.056 -5.890 2.939 1.00 0.00 C ATOM 0 HA PRO A 56 7.736 -5.999 4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 56 7.241 -8.353 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.228 -7.863 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.753 -7.518 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.620 -7.994 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.679 -5.454 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.268 -5.784 3.685 1.00 0.00 H new ATOM 862 N HIS A 57 9.716 -6.188 3.405 1.00 0.00 N ATOM 863 CA HIS A 57 10.951 -6.226 2.636 1.00 0.00 C ATOM 864 C HIS A 57 11.211 -7.663 2.210 1.00 0.00 C ATOM 865 O HIS A 57 11.566 -7.935 1.061 1.00 0.00 O ATOM 866 CB HIS A 57 12.117 -5.673 3.471 1.00 0.00 C ATOM 867 CG HIS A 57 13.470 -5.872 2.850 1.00 0.00 C ATOM 868 ND1 HIS A 57 13.764 -5.506 1.554 1.00 0.00 N ATOM 869 CD2 HIS A 57 14.610 -6.396 3.358 1.00 0.00 C ATOM 870 CE1 HIS A 57 15.023 -5.799 1.292 1.00 0.00 C ATOM 871 NE2 HIS A 57 15.559 -6.337 2.369 1.00 0.00 N ATOM 0 H HIS A 57 9.851 -6.121 4.414 1.00 0.00 H new ATOM 0 HA HIS A 57 10.860 -5.600 1.749 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.958 -4.607 3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 57 12.106 -6.151 4.451 1.00 0.00 H new ATOM 0 HD2 HIS A 57 14.747 -6.787 4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 57 15.529 -5.627 0.354 1.00 0.00 H new ATOM 0 HE2 HIS A 57 16.524 -6.658 2.454 1.00 0.00 H new ATOM 879 N GLU A 58 10.993 -8.570 3.148 1.00 0.00 N ATOM 880 CA GLU A 58 11.159 -9.988 2.919 1.00 0.00 C ATOM 881 C GLU A 58 9.872 -10.716 3.295 1.00 0.00 C ATOM 882 O GLU A 58 9.042 -10.176 4.031 1.00 0.00 O ATOM 883 CB GLU A 58 12.356 -10.516 3.721 1.00 0.00 C ATOM 884 CG GLU A 58 12.533 -9.857 5.086 1.00 0.00 C ATOM 885 CD GLU A 58 11.658 -10.463 6.160 1.00 0.00 C ATOM 886 OE1 GLU A 58 11.822 -11.663 6.445 1.00 0.00 O ATOM 887 OE2 GLU A 58 10.819 -9.741 6.726 1.00 0.00 O ATOM 0 H GLU A 58 10.694 -8.337 4.095 1.00 0.00 H new ATOM 0 HA GLU A 58 11.362 -10.169 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.240 -11.591 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.264 -10.367 3.137 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.577 -9.939 5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.308 -8.794 5.001 1.00 0.00 H new ATOM 894 N ALA A 59 9.699 -11.924 2.783 1.00 0.00 N ATOM 895 CA ALA A 59 8.503 -12.700 3.069 1.00 0.00 C ATOM 896 C ALA A 59 8.814 -14.183 3.082 1.00 0.00 C ATOM 897 O ALA A 59 8.302 -14.883 3.972 1.00 0.00 O ATOM 898 CB ALA A 59 7.416 -12.401 2.049 1.00 0.00 C ATOM 0 H ALA A 59 10.369 -12.387 2.169 1.00 0.00 H new ATOM 0 HA ALA A 59 8.143 -12.414 4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.529 -12.991 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.166 -11.341 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.773 -12.657 1.051 1.00 0.00 H new TER 904 ALA A 59