USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 871 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 57 ASN : amide:sc= -2.91! C(o=-2.9!,f=-3.2!) USER MOD Set 1.2: A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -5.87! C(o=-5.9!,f=-10!) USER MOD Single : A 12 HIS : no HD1:sc= -4 X(o=-4,f=-3.8!) USER MOD Single : A 14 TYR OH : rot -153:sc= -1.62! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 30:sc= -6.26! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 44 SER OG : rot -27:sc= -6.48! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0651 X(o=-0.065,f=-0.29) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.0014) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= -0.0636 (180deg=-0.38) USER MOD Single : A 99 THR OG1 : rot 108:sc= -2.64! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.332 -4.179 2.091 1.00 1.24 N ATOM 45 CA VAL A 4 7.621 -4.626 2.692 1.00 0.12 C ATOM 46 C VAL A 4 8.299 -5.729 1.859 1.00 0.78 C ATOM 47 O VAL A 4 8.110 -5.833 0.662 1.00 3.11 O ATOM 48 CB VAL A 4 7.339 -5.125 4.112 1.00 1.93 C ATOM 49 CG1 VAL A 4 6.152 -4.352 4.688 1.00 1.84 C ATOM 50 CG2 VAL A 4 6.998 -6.619 4.093 1.00 4.18 C ATOM 0 HA VAL A 4 8.312 -3.783 2.711 1.00 0.12 H new ATOM 0 HB VAL A 4 8.226 -4.969 4.725 1.00 1.93 H new ATOM 0 HG11 VAL A 4 5.946 -4.703 5.699 1.00 1.84 H new ATOM 0 HG12 VAL A 4 6.389 -3.288 4.714 1.00 1.84 H new ATOM 0 HG13 VAL A 4 5.274 -4.513 4.062 1.00 1.84 H new ATOM 0 HG21 VAL A 4 6.800 -6.960 5.109 1.00 4.18 H new ATOM 0 HG22 VAL A 4 6.114 -6.783 3.477 1.00 4.18 H new ATOM 0 HG23 VAL A 4 7.837 -7.179 3.680 1.00 4.18 H new ATOM 60 N LEU A 5 9.116 -6.531 2.496 1.00 1.12 N ATOM 61 CA LEU A 5 9.853 -7.615 1.778 1.00 0.47 C ATOM 62 C LEU A 5 9.314 -8.996 2.218 1.00 0.26 C ATOM 63 O LEU A 5 8.325 -9.075 2.918 1.00 0.46 O ATOM 64 CB LEU A 5 11.337 -7.457 2.114 1.00 0.43 C ATOM 65 CG LEU A 5 11.583 -5.998 2.540 1.00 1.08 C ATOM 66 CD1 LEU A 5 13.070 -5.765 2.791 1.00 0.97 C ATOM 67 CD2 LEU A 5 11.099 -5.049 1.432 1.00 1.51 C ATOM 0 H LEU A 5 9.306 -6.479 3.497 1.00 1.12 H new ATOM 0 HA LEU A 5 9.712 -7.544 0.699 1.00 0.47 H new ATOM 0 HB2 LEU A 5 11.620 -8.139 2.916 1.00 0.43 H new ATOM 0 HB3 LEU A 5 11.951 -7.709 1.249 1.00 0.43 H new ATOM 0 HG LEU A 5 11.031 -5.802 3.459 1.00 1.08 H new ATOM 0 HD11 LEU A 5 13.230 -4.730 3.091 1.00 0.97 H new ATOM 0 HD12 LEU A 5 13.414 -6.430 3.583 1.00 0.97 H new ATOM 0 HD13 LEU A 5 13.629 -5.969 1.878 1.00 0.97 H new ATOM 0 HD21 LEU A 5 11.274 -4.017 1.735 1.00 1.51 H new ATOM 0 HD22 LEU A 5 11.646 -5.255 0.512 1.00 1.51 H new ATOM 0 HD23 LEU A 5 10.033 -5.202 1.262 1.00 1.51 H new ATOM 79 N GLU A 6 9.916 -10.088 1.783 1.00 0.37 N ATOM 80 CA GLU A 6 9.360 -11.439 2.166 1.00 0.54 C ATOM 81 C GLU A 6 10.452 -12.466 2.538 1.00 0.44 C ATOM 82 O GLU A 6 11.579 -12.402 2.086 1.00 0.46 O ATOM 83 CB GLU A 6 8.526 -11.994 1.008 1.00 0.94 C ATOM 84 CG GLU A 6 9.458 -12.521 -0.085 1.00 1.08 C ATOM 85 CD GLU A 6 8.631 -13.230 -1.160 1.00 1.48 C ATOM 86 OE1 GLU A 6 7.638 -13.843 -0.805 1.00 1.73 O ATOM 87 OE2 GLU A 6 9.005 -13.147 -2.318 1.00 1.78 O ATOM 0 H GLU A 6 10.748 -10.105 1.194 1.00 0.37 H new ATOM 0 HA GLU A 6 8.747 -11.286 3.054 1.00 0.54 H new ATOM 0 HB2 GLU A 6 7.877 -12.794 1.364 1.00 0.94 H new ATOM 0 HB3 GLU A 6 7.880 -11.214 0.605 1.00 0.94 H new ATOM 0 HG2 GLU A 6 10.020 -11.698 -0.527 1.00 1.08 H new ATOM 0 HG3 GLU A 6 10.186 -13.210 0.343 1.00 1.08 H new ATOM 94 N ASN A 7 10.085 -13.418 3.375 1.00 0.59 N ATOM 95 CA ASN A 7 11.026 -14.494 3.838 1.00 0.52 C ATOM 96 C ASN A 7 10.907 -15.737 2.952 1.00 0.55 C ATOM 97 O ASN A 7 10.285 -16.714 3.318 1.00 0.62 O ATOM 98 CB ASN A 7 10.646 -14.888 5.264 1.00 0.61 C ATOM 99 CG ASN A 7 9.217 -15.432 5.277 1.00 0.79 C ATOM 100 OD1 ASN A 7 8.269 -14.692 5.111 1.00 0.83 O ATOM 101 ND2 ASN A 7 9.022 -16.708 5.468 1.00 0.93 N ATOM 0 H ASN A 7 9.146 -13.493 3.765 1.00 0.59 H new ATOM 0 HA ASN A 7 12.047 -14.115 3.788 1.00 0.52 H new ATOM 0 HB2 ASN A 7 11.337 -15.642 5.641 1.00 0.61 H new ATOM 0 HB3 ASN A 7 10.724 -14.025 5.925 1.00 0.61 H new ATOM 0 HD21 ASN A 7 8.074 -17.083 5.478 1.00 0.93 H new ATOM 0 HD22 ASN A 7 9.818 -17.330 5.608 1.00 0.93 H new ATOM 108 N ARG A 8 11.485 -15.703 1.792 1.00 0.55 N ATOM 109 CA ARG A 8 11.396 -16.876 0.873 1.00 0.61 C ATOM 110 C ARG A 8 12.364 -18.013 1.249 1.00 0.53 C ATOM 111 O ARG A 8 12.029 -19.168 1.146 1.00 0.53 O ATOM 112 CB ARG A 8 11.759 -16.431 -0.540 1.00 0.73 C ATOM 113 CG ARG A 8 12.130 -17.668 -1.359 1.00 1.13 C ATOM 114 CD ARG A 8 11.690 -17.479 -2.810 1.00 1.64 C ATOM 115 NE ARG A 8 12.612 -16.526 -3.486 1.00 1.82 N ATOM 116 CZ ARG A 8 12.172 -15.771 -4.452 1.00 2.36 C ATOM 117 NH1 ARG A 8 11.166 -14.967 -4.244 1.00 2.17 N ATOM 118 NH2 ARG A 8 12.735 -15.822 -5.628 1.00 3.31 N ATOM 0 H ARG A 8 12.020 -14.912 1.433 1.00 0.55 H new ATOM 0 HA ARG A 8 10.375 -17.250 0.946 1.00 0.61 H new ATOM 0 HB2 ARG A 8 10.919 -15.910 -1.000 1.00 0.73 H new ATOM 0 HB3 ARG A 8 12.593 -15.730 -0.514 1.00 0.73 H new ATOM 0 HG2 ARG A 8 13.206 -17.836 -1.315 1.00 1.13 H new ATOM 0 HG3 ARG A 8 11.652 -18.552 -0.937 1.00 1.13 H new ATOM 0 HD2 ARG A 8 11.694 -18.437 -3.330 1.00 1.64 H new ATOM 0 HD3 ARG A 8 10.668 -17.101 -2.845 1.00 1.64 H new ATOM 0 HE ARG A 8 13.587 -16.464 -3.193 1.00 1.82 H new ATOM 0 HH11 ARG A 8 10.724 -14.930 -3.325 1.00 2.17 H new ATOM 0 HH12 ARG A 8 10.821 -14.376 -5.000 1.00 2.17 H new ATOM 0 HH21 ARG A 8 13.520 -16.453 -5.791 1.00 3.31 H new ATOM 0 HH22 ARG A 8 12.390 -15.231 -6.384 1.00 3.31 H new ATOM 132 N ARG A 9 13.581 -17.698 1.590 1.00 0.48 N ATOM 133 CA ARG A 9 14.602 -18.770 1.857 1.00 0.46 C ATOM 134 C ARG A 9 14.228 -19.754 2.977 1.00 0.39 C ATOM 135 O ARG A 9 14.543 -20.920 2.883 1.00 0.40 O ATOM 136 CB ARG A 9 15.939 -18.113 2.214 1.00 0.51 C ATOM 137 CG ARG A 9 16.695 -19.004 3.204 1.00 1.31 C ATOM 138 CD ARG A 9 18.169 -18.595 3.241 1.00 1.11 C ATOM 139 NE ARG A 9 19.023 -19.778 2.930 1.00 1.76 N ATOM 140 CZ ARG A 9 20.181 -19.611 2.351 1.00 0.20 C ATOM 141 NH1 ARG A 9 20.301 -18.757 1.374 1.00 2.38 N ATOM 142 NH2 ARG A 9 21.215 -20.304 2.741 1.00 1.21 N ATOM 0 H ARG A 9 13.922 -16.743 1.698 1.00 0.48 H new ATOM 0 HA ARG A 9 14.660 -19.356 0.940 1.00 0.46 H new ATOM 0 HB2 ARG A 9 16.535 -17.963 1.314 1.00 0.51 H new ATOM 0 HB3 ARG A 9 15.768 -17.129 2.650 1.00 0.51 H new ATOM 0 HG2 ARG A 9 16.257 -18.913 4.198 1.00 1.31 H new ATOM 0 HG3 ARG A 9 16.605 -20.050 2.910 1.00 1.31 H new ATOM 0 HD2 ARG A 9 18.355 -17.800 2.519 1.00 1.11 H new ATOM 0 HD3 ARG A 9 18.423 -18.199 4.224 1.00 1.11 H new ATOM 0 HE ARG A 9 18.702 -20.716 3.169 1.00 1.76 H new ATOM 0 HH11 ARG A 9 19.491 -18.221 1.063 1.00 2.38 H new ATOM 0 HH12 ARG A 9 21.205 -18.625 0.920 1.00 2.38 H new ATOM 0 HH21 ARG A 9 21.120 -20.979 3.500 1.00 1.21 H new ATOM 0 HH22 ARG A 9 22.119 -20.171 2.287 1.00 1.21 H new ATOM 156 N ALA A 10 13.634 -19.322 4.049 1.00 0.38 N ATOM 157 CA ALA A 10 13.331 -20.279 5.150 1.00 0.42 C ATOM 158 C ALA A 10 11.975 -20.938 4.960 1.00 0.49 C ATOM 159 O ALA A 10 11.826 -22.129 5.147 1.00 0.48 O ATOM 160 CB ALA A 10 13.358 -19.548 6.492 1.00 0.54 C ATOM 0 H ALA A 10 13.346 -18.357 4.213 1.00 0.38 H new ATOM 0 HA ALA A 10 14.093 -21.058 5.134 1.00 0.42 H new ATOM 0 HB1 ALA A 10 13.136 -20.252 7.294 1.00 0.54 H new ATOM 0 HB2 ALA A 10 14.346 -19.116 6.651 1.00 0.54 H new ATOM 0 HB3 ALA A 10 12.611 -18.754 6.489 1.00 0.54 H new ATOM 166 N ARG A 11 10.983 -20.194 4.596 1.00 0.61 N ATOM 167 CA ARG A 11 9.656 -20.822 4.408 1.00 0.75 C ATOM 168 C ARG A 11 9.722 -21.713 3.176 1.00 0.72 C ATOM 169 O ARG A 11 9.015 -22.693 3.063 1.00 0.77 O ATOM 170 CB ARG A 11 8.593 -19.739 4.203 1.00 0.93 C ATOM 171 CG ARG A 11 7.222 -20.285 4.608 1.00 0.88 C ATOM 172 CD ARG A 11 6.905 -19.865 6.046 1.00 1.18 C ATOM 173 NE ARG A 11 6.520 -21.068 6.838 1.00 2.92 N ATOM 174 CZ ARG A 11 7.205 -21.399 7.898 1.00 3.88 C ATOM 175 NH1 ARG A 11 8.322 -22.061 7.774 1.00 4.07 N ATOM 176 NH2 ARG A 11 6.769 -21.071 9.084 1.00 5.42 N ATOM 0 H ARG A 11 11.028 -19.190 4.422 1.00 0.61 H new ATOM 0 HA ARG A 11 9.391 -21.410 5.287 1.00 0.75 H new ATOM 0 HB2 ARG A 11 8.836 -18.859 4.798 1.00 0.93 H new ATOM 0 HB3 ARG A 11 8.577 -19.423 3.160 1.00 0.93 H new ATOM 0 HG2 ARG A 11 6.455 -19.908 3.931 1.00 0.88 H new ATOM 0 HG3 ARG A 11 7.214 -21.372 4.526 1.00 0.88 H new ATOM 0 HD2 ARG A 11 7.773 -19.382 6.495 1.00 1.18 H new ATOM 0 HD3 ARG A 11 6.095 -19.136 6.054 1.00 1.18 H new ATOM 0 HE ARG A 11 5.721 -21.633 6.551 1.00 2.92 H new ATOM 0 HH11 ARG A 11 8.661 -22.320 6.848 1.00 4.07 H new ATOM 0 HH12 ARG A 11 8.857 -22.319 8.603 1.00 4.07 H new ATOM 0 HH21 ARG A 11 5.894 -20.557 9.181 1.00 5.42 H new ATOM 0 HH22 ARG A 11 7.304 -21.329 9.913 1.00 5.42 H new ATOM 190 N HIS A 12 10.568 -21.370 2.246 1.00 0.70 N ATOM 191 CA HIS A 12 10.681 -22.193 1.011 1.00 0.77 C ATOM 192 C HIS A 12 11.809 -23.220 1.120 1.00 0.66 C ATOM 193 O HIS A 12 11.687 -24.338 0.662 1.00 0.70 O ATOM 194 CB HIS A 12 10.970 -21.291 -0.193 1.00 0.91 C ATOM 195 CG HIS A 12 9.845 -20.306 -0.379 1.00 1.13 C ATOM 196 ND1 HIS A 12 9.658 -19.618 -1.569 1.00 1.11 N ATOM 197 CD2 HIS A 12 8.839 -19.889 0.456 1.00 3.51 C ATOM 198 CE1 HIS A 12 8.576 -18.834 -1.418 1.00 2.91 C ATOM 199 NE2 HIS A 12 8.038 -18.959 -0.202 1.00 4.58 N ATOM 0 H HIS A 12 11.184 -20.558 2.287 1.00 0.70 H new ATOM 0 HA HIS A 12 9.734 -22.717 0.883 1.00 0.77 H new ATOM 0 HB2 HIS A 12 11.909 -20.759 -0.042 1.00 0.91 H new ATOM 0 HB3 HIS A 12 11.087 -21.896 -1.092 1.00 0.91 H new ATOM 0 HD2 HIS A 12 8.691 -20.230 1.470 1.00 3.51 H new ATOM 0 HE1 HIS A 12 8.189 -18.182 -2.187 1.00 2.91 H new ATOM 0 HE2 HIS A 12 7.217 -18.477 0.165 1.00 4.58 H new ATOM 207 N ASP A 13 12.943 -22.822 1.633 1.00 0.57 N ATOM 208 CA ASP A 13 14.096 -23.764 1.648 1.00 0.55 C ATOM 209 C ASP A 13 14.583 -24.207 3.036 1.00 0.42 C ATOM 210 O ASP A 13 15.144 -25.281 3.142 1.00 0.46 O ATOM 211 CB ASP A 13 15.259 -23.112 0.899 1.00 0.64 C ATOM 212 CG ASP A 13 15.246 -23.571 -0.561 1.00 0.42 C ATOM 213 OD1 ASP A 13 15.478 -24.747 -0.795 1.00 0.83 O ATOM 214 OD2 ASP A 13 15.005 -22.741 -1.421 1.00 0.87 O ATOM 0 H ASP A 13 13.118 -21.901 2.035 1.00 0.57 H new ATOM 0 HA ASP A 13 13.737 -24.676 1.170 1.00 0.55 H new ATOM 0 HB2 ASP A 13 15.176 -22.026 0.951 1.00 0.64 H new ATOM 0 HB3 ASP A 13 16.205 -23.382 1.368 1.00 0.64 H new ATOM 219 N TYR A 14 14.486 -23.439 4.096 1.00 0.34 N ATOM 220 CA TYR A 14 15.103 -23.999 5.345 1.00 0.29 C ATOM 221 C TYR A 14 14.389 -23.627 6.670 1.00 0.22 C ATOM 222 O TYR A 14 13.745 -22.604 6.796 1.00 0.17 O ATOM 223 CB TYR A 14 16.564 -23.528 5.391 1.00 0.28 C ATOM 224 CG TYR A 14 17.294 -24.363 6.394 1.00 0.26 C ATOM 225 CD1 TYR A 14 17.206 -24.000 7.722 1.00 0.32 C ATOM 226 CD2 TYR A 14 18.013 -25.515 6.019 1.00 0.28 C ATOM 227 CE1 TYR A 14 17.825 -24.784 8.699 1.00 0.29 C ATOM 228 CE2 TYR A 14 18.639 -26.289 6.998 1.00 0.33 C ATOM 229 CZ TYR A 14 18.536 -25.927 8.341 1.00 0.29 C ATOM 230 OH TYR A 14 19.131 -26.704 9.315 1.00 0.36 O ATOM 0 H TYR A 14 14.045 -22.521 4.158 1.00 0.34 H new ATOM 0 HA TYR A 14 15.009 -25.083 5.283 1.00 0.29 H new ATOM 0 HB2 TYR A 14 17.025 -23.625 4.408 1.00 0.28 H new ATOM 0 HB3 TYR A 14 16.615 -22.474 5.665 1.00 0.28 H new ATOM 0 HD1 TYR A 14 16.660 -23.112 8.006 1.00 0.32 H new ATOM 0 HD2 TYR A 14 18.080 -25.798 4.979 1.00 0.28 H new ATOM 0 HE1 TYR A 14 17.752 -24.502 9.739 1.00 0.29 H new ATOM 0 HE2 TYR A 14 19.202 -27.166 6.716 1.00 0.33 H new ATOM 0 HH TYR A 14 19.902 -27.173 8.934 1.00 0.36 H new ATOM 240 N GLU A 15 14.563 -24.488 7.672 1.00 0.25 N ATOM 241 CA GLU A 15 13.976 -24.274 9.047 1.00 0.24 C ATOM 242 C GLU A 15 14.926 -23.367 9.817 1.00 0.25 C ATOM 243 O GLU A 15 16.088 -23.582 9.846 1.00 0.34 O ATOM 244 CB GLU A 15 13.918 -25.610 9.781 1.00 0.31 C ATOM 245 CG GLU A 15 13.737 -25.349 11.278 1.00 0.32 C ATOM 246 CD GLU A 15 12.950 -26.497 11.911 1.00 0.53 C ATOM 247 OE1 GLU A 15 12.527 -27.373 11.176 1.00 1.76 O ATOM 248 OE2 GLU A 15 12.788 -26.482 13.120 1.00 1.12 O ATOM 0 H GLU A 15 15.102 -25.349 7.584 1.00 0.25 H new ATOM 0 HA GLU A 15 12.978 -23.842 8.969 1.00 0.24 H new ATOM 0 HB2 GLU A 15 13.093 -26.212 9.401 1.00 0.31 H new ATOM 0 HB3 GLU A 15 14.833 -26.176 9.605 1.00 0.31 H new ATOM 0 HG2 GLU A 15 14.710 -25.253 11.760 1.00 0.32 H new ATOM 0 HG3 GLU A 15 13.211 -24.407 11.431 1.00 0.32 H new ATOM 255 N ILE A 16 14.499 -22.326 10.402 1.00 0.19 N ATOM 256 CA ILE A 16 15.525 -21.455 11.023 1.00 0.21 C ATOM 257 C ILE A 16 15.997 -21.841 12.437 1.00 0.24 C ATOM 258 O ILE A 16 15.249 -21.938 13.389 1.00 0.27 O ATOM 259 CB ILE A 16 15.012 -20.047 10.917 1.00 0.23 C ATOM 260 CG1 ILE A 16 15.186 -19.659 9.440 1.00 0.27 C ATOM 261 CG2 ILE A 16 15.797 -19.113 11.830 1.00 0.20 C ATOM 262 CD1 ILE A 16 16.649 -19.842 9.019 1.00 0.26 C ATOM 0 H ILE A 16 13.527 -22.030 10.488 1.00 0.19 H new ATOM 0 HA ILE A 16 16.458 -21.582 10.473 1.00 0.21 H new ATOM 0 HB ILE A 16 13.971 -19.970 11.230 1.00 0.23 H new ATOM 0 HG12 ILE A 16 14.539 -20.275 8.815 1.00 0.27 H new ATOM 0 HG13 ILE A 16 14.882 -18.623 9.289 1.00 0.27 H new ATOM 0 HG21 ILE A 16 15.407 -18.099 11.736 1.00 0.20 H new ATOM 0 HG22 ILE A 16 15.697 -19.445 12.863 1.00 0.20 H new ATOM 0 HG23 ILE A 16 16.849 -19.125 11.545 1.00 0.20 H new ATOM 0 HD11 ILE A 16 16.763 -19.565 7.971 1.00 0.26 H new ATOM 0 HD12 ILE A 16 17.287 -19.207 9.634 1.00 0.26 H new ATOM 0 HD13 ILE A 16 16.938 -20.884 9.152 1.00 0.26 H new ATOM 274 N LEU A 17 17.299 -22.060 12.511 1.00 0.25 N ATOM 275 CA LEU A 17 18.023 -22.452 13.759 1.00 0.32 C ATOM 276 C LEU A 17 18.222 -21.253 14.738 1.00 0.26 C ATOM 277 O LEU A 17 17.854 -21.345 15.893 1.00 0.41 O ATOM 278 CB LEU A 17 19.375 -23.032 13.291 1.00 0.61 C ATOM 279 CG LEU A 17 20.552 -22.497 14.105 1.00 1.32 C ATOM 280 CD1 LEU A 17 20.529 -23.109 15.507 1.00 2.69 C ATOM 281 CD2 LEU A 17 21.860 -22.883 13.390 1.00 2.53 C ATOM 0 H LEU A 17 17.915 -21.975 11.703 1.00 0.25 H new ATOM 0 HA LEU A 17 17.445 -23.181 14.327 1.00 0.32 H new ATOM 0 HB2 LEU A 17 19.347 -24.119 13.369 1.00 0.61 H new ATOM 0 HB3 LEU A 17 19.526 -22.791 12.239 1.00 0.61 H new ATOM 0 HG LEU A 17 20.483 -21.413 14.192 1.00 1.32 H new ATOM 0 HD11 LEU A 17 21.370 -22.726 16.085 1.00 2.69 H new ATOM 0 HD12 LEU A 17 19.596 -22.844 16.004 1.00 2.69 H new ATOM 0 HD13 LEU A 17 20.605 -24.194 15.432 1.00 2.69 H new ATOM 0 HD21 LEU A 17 22.710 -22.508 13.959 1.00 2.53 H new ATOM 0 HD22 LEU A 17 21.926 -23.968 13.312 1.00 2.53 H new ATOM 0 HD23 LEU A 17 21.871 -22.447 12.391 1.00 2.53 H new ATOM 293 N GLU A 18 18.788 -20.132 14.311 1.00 0.29 N ATOM 294 CA GLU A 18 18.976 -18.967 15.262 1.00 0.28 C ATOM 295 C GLU A 18 18.178 -17.755 14.733 1.00 0.46 C ATOM 296 O GLU A 18 17.988 -17.619 13.549 1.00 0.76 O ATOM 297 CB GLU A 18 20.482 -18.624 15.423 1.00 0.22 C ATOM 298 CG GLU A 18 20.707 -18.120 16.849 1.00 0.18 C ATOM 299 CD GLU A 18 20.354 -19.227 17.845 1.00 0.19 C ATOM 300 OE1 GLU A 18 21.060 -20.222 17.873 1.00 1.03 O ATOM 301 OE2 GLU A 18 19.384 -19.058 18.567 1.00 1.26 O ATOM 0 H GLU A 18 19.123 -19.975 13.360 1.00 0.29 H new ATOM 0 HA GLU A 18 18.601 -19.237 16.249 1.00 0.28 H new ATOM 0 HB2 GLU A 18 21.095 -19.504 15.230 1.00 0.22 H new ATOM 0 HB3 GLU A 18 20.778 -17.864 14.700 1.00 0.22 H new ATOM 0 HG2 GLU A 18 21.746 -17.817 16.979 1.00 0.18 H new ATOM 0 HG3 GLU A 18 20.093 -17.239 17.036 1.00 0.18 H new ATOM 308 N THR A 19 17.662 -16.888 15.591 1.00 0.37 N ATOM 309 CA THR A 19 16.846 -15.732 15.065 1.00 0.53 C ATOM 310 C THR A 19 17.159 -14.385 15.765 1.00 0.33 C ATOM 311 O THR A 19 17.473 -14.351 16.938 1.00 0.32 O ATOM 312 CB THR A 19 15.363 -16.049 15.260 1.00 0.78 C ATOM 313 OG1 THR A 19 15.064 -16.070 16.648 1.00 0.85 O ATOM 314 CG2 THR A 19 15.051 -17.414 14.647 1.00 0.76 C ATOM 0 H THR A 19 17.767 -16.929 16.605 1.00 0.37 H new ATOM 0 HA THR A 19 17.104 -15.614 14.013 1.00 0.53 H new ATOM 0 HB THR A 19 14.758 -15.286 14.771 1.00 0.78 H new ATOM 0 HG1 THR A 19 14.113 -16.271 16.775 1.00 0.85 H new ATOM 0 HG21 THR A 19 13.994 -17.642 14.785 1.00 0.76 H new ATOM 0 HG22 THR A 19 15.282 -17.396 13.582 1.00 0.76 H new ATOM 0 HG23 THR A 19 15.654 -18.179 15.136 1.00 0.76 H new ATOM 322 N TYR A 20 16.973 -13.264 15.078 1.00 0.24 N ATOM 323 CA TYR A 20 17.162 -11.920 15.741 1.00 0.12 C ATOM 324 C TYR A 20 16.009 -11.002 15.410 1.00 0.19 C ATOM 325 O TYR A 20 15.280 -11.184 14.454 1.00 0.38 O ATOM 326 CB TYR A 20 18.514 -11.219 15.432 1.00 0.25 C ATOM 327 CG TYR A 20 18.696 -10.735 13.988 1.00 0.39 C ATOM 328 CD1 TYR A 20 17.659 -10.152 13.219 1.00 0.50 C ATOM 329 CD2 TYR A 20 19.967 -10.879 13.421 1.00 0.49 C ATOM 330 CE1 TYR A 20 17.917 -9.736 11.891 1.00 0.63 C ATOM 331 CE2 TYR A 20 20.225 -10.469 12.112 1.00 0.61 C ATOM 332 CZ TYR A 20 19.198 -9.901 11.339 1.00 0.66 C ATOM 333 OH TYR A 20 19.444 -9.498 10.043 1.00 0.80 O ATOM 0 H TYR A 20 16.701 -13.225 14.096 1.00 0.24 H new ATOM 0 HA TYR A 20 17.185 -12.131 16.810 1.00 0.12 H new ATOM 0 HB2 TYR A 20 18.620 -10.363 16.099 1.00 0.25 H new ATOM 0 HB3 TYR A 20 19.323 -11.910 15.669 1.00 0.25 H new ATOM 0 HD1 TYR A 20 16.675 -10.025 13.645 1.00 0.50 H new ATOM 0 HD2 TYR A 20 20.763 -11.315 14.007 1.00 0.49 H new ATOM 0 HE1 TYR A 20 17.129 -9.291 11.302 1.00 0.63 H new ATOM 0 HE2 TYR A 20 21.213 -10.588 11.693 1.00 0.61 H new ATOM 0 HH TYR A 20 18.862 -8.742 9.820 1.00 0.80 H new ATOM 343 N GLU A 21 15.825 -10.037 16.247 1.00 0.06 N ATOM 344 CA GLU A 21 14.719 -9.075 16.084 1.00 0.11 C ATOM 345 C GLU A 21 15.302 -7.674 15.888 1.00 0.14 C ATOM 346 O GLU A 21 15.808 -7.070 16.813 1.00 0.14 O ATOM 347 CB GLU A 21 13.908 -9.139 17.363 1.00 0.13 C ATOM 348 CG GLU A 21 12.444 -9.440 17.037 1.00 0.31 C ATOM 349 CD GLU A 21 12.287 -10.932 16.746 1.00 1.69 C ATOM 350 OE1 GLU A 21 12.769 -11.368 15.712 1.00 2.57 O ATOM 351 OE2 GLU A 21 11.695 -11.617 17.564 1.00 2.78 O ATOM 0 H GLU A 21 16.414 -9.870 17.063 1.00 0.06 H new ATOM 0 HA GLU A 21 14.096 -9.306 15.220 1.00 0.11 H new ATOM 0 HB2 GLU A 21 14.309 -9.911 18.020 1.00 0.13 H new ATOM 0 HB3 GLU A 21 13.983 -8.193 17.899 1.00 0.13 H new ATOM 0 HG2 GLU A 21 11.807 -9.152 17.873 1.00 0.31 H new ATOM 0 HG3 GLU A 21 12.124 -8.854 16.175 1.00 0.31 H new ATOM 358 N ALA A 22 15.257 -7.160 14.692 1.00 0.23 N ATOM 359 CA ALA A 22 15.832 -5.813 14.442 1.00 0.29 C ATOM 360 C ALA A 22 14.720 -4.805 14.163 1.00 0.31 C ATOM 361 O ALA A 22 13.591 -5.158 13.897 1.00 0.30 O ATOM 362 CB ALA A 22 16.764 -5.881 13.235 1.00 0.36 C ATOM 0 H ALA A 22 14.846 -7.616 13.877 1.00 0.23 H new ATOM 0 HA ALA A 22 16.386 -5.494 15.325 1.00 0.29 H new ATOM 0 HB1 ALA A 22 17.189 -4.895 13.047 1.00 0.36 H new ATOM 0 HB2 ALA A 22 17.567 -6.590 13.435 1.00 0.36 H new ATOM 0 HB3 ALA A 22 16.202 -6.207 12.360 1.00 0.36 H new ATOM 368 N GLY A 23 15.045 -3.547 14.201 1.00 0.34 N ATOM 369 CA GLY A 23 14.031 -2.503 13.921 1.00 0.35 C ATOM 370 C GLY A 23 14.614 -1.573 12.870 1.00 0.31 C ATOM 371 O GLY A 23 15.500 -0.790 13.148 1.00 0.30 O ATOM 0 H GLY A 23 15.978 -3.196 14.416 1.00 0.34 H new ATOM 0 HA2 GLY A 23 13.105 -2.953 13.564 1.00 0.35 H new ATOM 0 HA3 GLY A 23 13.787 -1.951 14.829 1.00 0.35 H new ATOM 375 N ILE A 24 14.162 -1.674 11.655 1.00 0.30 N ATOM 376 CA ILE A 24 14.756 -0.804 10.593 1.00 0.25 C ATOM 377 C ILE A 24 13.866 0.423 10.384 1.00 0.25 C ATOM 378 O ILE A 24 12.731 0.327 9.971 1.00 0.26 O ATOM 379 CB ILE A 24 14.866 -1.592 9.290 1.00 0.22 C ATOM 380 CG1 ILE A 24 15.960 -2.647 9.392 1.00 0.21 C ATOM 381 CG2 ILE A 24 15.240 -0.637 8.167 1.00 0.19 C ATOM 382 CD1 ILE A 24 16.266 -2.922 10.854 1.00 0.19 C ATOM 0 H ILE A 24 13.422 -2.306 11.349 1.00 0.30 H new ATOM 0 HA ILE A 24 15.750 -0.480 10.900 1.00 0.25 H new ATOM 0 HB ILE A 24 13.909 -2.076 9.095 1.00 0.22 H new ATOM 0 HG12 ILE A 24 15.642 -3.565 8.898 1.00 0.21 H new ATOM 0 HG13 ILE A 24 16.859 -2.304 8.880 1.00 0.21 H new ATOM 0 HG21 ILE A 24 15.321 -1.190 7.231 1.00 0.19 H new ATOM 0 HG22 ILE A 24 14.471 0.130 8.070 1.00 0.19 H new ATOM 0 HG23 ILE A 24 16.196 -0.165 8.394 1.00 0.19 H new ATOM 0 HD11 ILE A 24 17.049 -3.677 10.926 1.00 0.19 H new ATOM 0 HD12 ILE A 24 16.603 -2.003 11.334 1.00 0.19 H new ATOM 0 HD13 ILE A 24 15.366 -3.283 11.352 1.00 0.19 H new ATOM 394 N ALA A 25 14.375 1.588 10.667 1.00 0.23 N ATOM 395 CA ALA A 25 13.532 2.816 10.477 1.00 0.22 C ATOM 396 C ALA A 25 13.841 3.486 9.148 1.00 0.17 C ATOM 397 O ALA A 25 14.915 3.381 8.586 1.00 0.52 O ATOM 398 CB ALA A 25 13.736 3.834 11.580 1.00 0.37 C ATOM 0 H ALA A 25 15.320 1.750 11.016 1.00 0.23 H new ATOM 0 HA ALA A 25 12.497 2.476 10.500 1.00 0.22 H new ATOM 0 HB1 ALA A 25 13.104 4.702 11.395 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.470 3.389 12.539 1.00 0.37 H new ATOM 0 HB3 ALA A 25 14.781 4.144 11.601 1.00 0.37 H new ATOM 404 N LEU A 26 12.858 4.151 8.654 1.00 0.20 N ATOM 405 CA LEU A 26 12.940 4.852 7.347 1.00 0.40 C ATOM 406 C LEU A 26 12.766 6.364 7.489 1.00 0.29 C ATOM 407 O LEU A 26 12.158 6.856 8.419 1.00 0.13 O ATOM 408 CB LEU A 26 11.851 4.337 6.397 1.00 0.76 C ATOM 409 CG LEU A 26 10.686 3.678 7.145 1.00 0.94 C ATOM 410 CD1 LEU A 26 11.132 2.363 7.783 1.00 2.35 C ATOM 411 CD2 LEU A 26 10.113 4.621 8.212 1.00 2.28 C ATOM 0 H LEU A 26 11.955 4.247 9.118 1.00 0.20 H new ATOM 0 HA LEU A 26 13.933 4.647 6.947 1.00 0.40 H new ATOM 0 HB2 LEU A 26 11.473 5.166 5.799 1.00 0.76 H new ATOM 0 HB3 LEU A 26 12.288 3.618 5.704 1.00 0.76 H new ATOM 0 HG LEU A 26 9.900 3.465 6.421 1.00 0.94 H new ATOM 0 HD11 LEU A 26 10.292 1.910 8.309 1.00 2.35 H new ATOM 0 HD12 LEU A 26 11.483 1.683 7.007 1.00 2.35 H new ATOM 0 HD13 LEU A 26 11.940 2.557 8.489 1.00 2.35 H new ATOM 0 HD21 LEU A 26 9.288 4.129 8.727 1.00 2.28 H new ATOM 0 HD22 LEU A 26 10.892 4.873 8.932 1.00 2.28 H new ATOM 0 HD23 LEU A 26 9.751 5.532 7.736 1.00 2.28 H new ATOM 423 N LYS A 27 13.244 7.095 6.519 1.00 0.52 N ATOM 424 CA LYS A 27 13.057 8.567 6.525 1.00 0.58 C ATOM 425 C LYS A 27 11.593 8.810 6.119 1.00 0.49 C ATOM 426 O LYS A 27 10.808 7.884 6.084 1.00 0.43 O ATOM 427 CB LYS A 27 14.000 9.223 5.509 1.00 0.80 C ATOM 428 CG LYS A 27 14.639 10.470 6.125 1.00 0.90 C ATOM 429 CD LYS A 27 15.440 11.217 5.054 1.00 1.16 C ATOM 430 CE LYS A 27 16.846 11.520 5.578 1.00 0.76 C ATOM 431 NZ LYS A 27 17.828 10.616 4.914 1.00 0.61 N ATOM 0 H LYS A 27 13.759 6.729 5.718 1.00 0.52 H new ATOM 0 HA LYS A 27 13.278 8.994 7.503 1.00 0.58 H new ATOM 0 HB2 LYS A 27 14.774 8.517 5.209 1.00 0.80 H new ATOM 0 HB3 LYS A 27 13.448 9.493 4.608 1.00 0.80 H new ATOM 0 HG2 LYS A 27 13.868 11.121 6.537 1.00 0.90 H new ATOM 0 HG3 LYS A 27 15.292 10.187 6.951 1.00 0.90 H new ATOM 0 HD2 LYS A 27 15.501 10.616 4.147 1.00 1.16 H new ATOM 0 HD3 LYS A 27 14.933 12.145 4.788 1.00 1.16 H new ATOM 0 HE2 LYS A 27 17.103 12.561 5.381 1.00 0.76 H new ATOM 0 HE3 LYS A 27 16.881 11.382 6.659 1.00 0.76 H new ATOM 0 HZ1 LYS A 27 18.784 10.821 5.269 1.00 0.61 H new ATOM 0 HZ2 LYS A 27 17.586 9.627 5.123 1.00 0.61 H new ATOM 0 HZ3 LYS A 27 17.801 10.769 3.886 1.00 0.61 H new ATOM 445 N GLY A 28 11.182 10.027 5.905 1.00 0.54 N ATOM 446 CA GLY A 28 9.732 10.271 5.618 1.00 0.50 C ATOM 447 C GLY A 28 9.170 9.519 4.401 1.00 0.51 C ATOM 448 O GLY A 28 8.145 8.875 4.506 1.00 0.60 O ATOM 0 H GLY A 28 11.774 10.857 5.915 1.00 0.54 H new ATOM 0 HA2 GLY A 28 9.152 9.991 6.497 1.00 0.50 H new ATOM 0 HA3 GLY A 28 9.583 11.340 5.465 1.00 0.50 H new ATOM 452 N THR A 29 9.795 9.562 3.265 1.00 0.46 N ATOM 453 CA THR A 29 9.229 8.809 2.107 1.00 0.56 C ATOM 454 C THR A 29 9.816 7.428 2.096 1.00 0.49 C ATOM 455 O THR A 29 9.375 6.546 1.385 1.00 0.59 O ATOM 456 CB THR A 29 9.538 9.467 0.775 1.00 0.68 C ATOM 457 OG1 THR A 29 10.931 9.376 0.511 1.00 0.60 O ATOM 458 CG2 THR A 29 9.108 10.934 0.797 1.00 0.71 C ATOM 0 H THR A 29 10.658 10.074 3.083 1.00 0.46 H new ATOM 0 HA THR A 29 8.146 8.789 2.229 1.00 0.56 H new ATOM 0 HB THR A 29 8.986 8.953 -0.012 1.00 0.68 H new ATOM 0 HG1 THR A 29 11.129 9.800 -0.350 1.00 0.60 H new ATOM 0 HG21 THR A 29 9.335 11.394 -0.165 1.00 0.71 H new ATOM 0 HG22 THR A 29 8.036 10.996 0.985 1.00 0.71 H new ATOM 0 HG23 THR A 29 9.646 11.459 1.587 1.00 0.71 H new ATOM 466 N GLU A 30 10.817 7.237 2.874 1.00 0.45 N ATOM 467 CA GLU A 30 11.452 5.912 2.909 1.00 0.58 C ATOM 468 C GLU A 30 10.395 4.913 3.273 1.00 0.76 C ATOM 469 O GLU A 30 10.447 3.804 2.849 1.00 0.85 O ATOM 470 CB GLU A 30 12.577 5.906 3.926 1.00 0.84 C ATOM 471 CG GLU A 30 13.787 6.700 3.402 1.00 1.24 C ATOM 472 CD GLU A 30 13.813 6.701 1.871 1.00 3.15 C ATOM 473 OE1 GLU A 30 13.937 5.629 1.299 1.00 4.07 O ATOM 474 OE2 GLU A 30 13.713 7.772 1.297 1.00 4.52 O ATOM 0 H GLU A 30 11.227 7.939 3.490 1.00 0.45 H new ATOM 0 HA GLU A 30 11.883 5.660 1.940 1.00 0.58 H new ATOM 0 HB2 GLU A 30 12.229 6.340 4.863 1.00 0.84 H new ATOM 0 HB3 GLU A 30 12.874 4.880 4.141 1.00 0.84 H new ATOM 0 HG2 GLU A 30 13.743 7.725 3.770 1.00 1.24 H new ATOM 0 HG3 GLU A 30 14.709 6.263 3.786 1.00 1.24 H new ATOM 481 N VAL A 31 9.419 5.260 4.036 1.00 0.88 N ATOM 482 CA VAL A 31 8.424 4.210 4.338 1.00 1.19 C ATOM 483 C VAL A 31 7.594 3.875 3.108 1.00 1.23 C ATOM 484 O VAL A 31 7.158 2.758 2.962 1.00 1.37 O ATOM 485 CB VAL A 31 7.482 4.575 5.457 1.00 1.37 C ATOM 486 CG1 VAL A 31 7.626 3.506 6.549 1.00 3.65 C ATOM 487 CG2 VAL A 31 7.792 5.972 5.992 1.00 1.95 C ATOM 0 H VAL A 31 9.264 6.179 4.450 1.00 0.88 H new ATOM 0 HA VAL A 31 9.009 3.348 4.657 1.00 1.19 H new ATOM 0 HB VAL A 31 6.452 4.602 5.100 1.00 1.37 H new ATOM 0 HG11 VAL A 31 6.957 3.739 7.377 1.00 3.65 H new ATOM 0 HG12 VAL A 31 7.369 2.530 6.138 1.00 3.65 H new ATOM 0 HG13 VAL A 31 8.655 3.489 6.908 1.00 3.65 H new ATOM 0 HG21 VAL A 31 7.100 6.215 6.799 1.00 1.95 H new ATOM 0 HG22 VAL A 31 8.814 5.998 6.370 1.00 1.95 H new ATOM 0 HG23 VAL A 31 7.683 6.701 5.189 1.00 1.95 H new ATOM 497 N LYS A 32 7.317 4.792 2.224 1.00 1.18 N ATOM 498 CA LYS A 32 6.484 4.370 1.071 1.00 1.32 C ATOM 499 C LYS A 32 7.296 3.469 0.151 1.00 1.05 C ATOM 500 O LYS A 32 6.848 2.435 -0.245 1.00 1.11 O ATOM 501 CB LYS A 32 5.970 5.570 0.308 1.00 1.55 C ATOM 502 CG LYS A 32 5.397 6.572 1.322 1.00 1.95 C ATOM 503 CD LYS A 32 5.448 7.991 0.756 1.00 1.42 C ATOM 504 CE LYS A 32 5.773 8.964 1.889 1.00 1.05 C ATOM 505 NZ LYS A 32 4.509 9.575 2.391 1.00 1.27 N ATOM 0 H LYS A 32 7.615 5.767 2.245 1.00 1.18 H new ATOM 0 HA LYS A 32 5.624 3.816 1.449 1.00 1.32 H new ATOM 0 HB2 LYS A 32 6.775 6.029 -0.267 1.00 1.55 H new ATOM 0 HB3 LYS A 32 5.202 5.268 -0.404 1.00 1.55 H new ATOM 0 HG2 LYS A 32 4.368 6.307 1.563 1.00 1.95 H new ATOM 0 HG3 LYS A 32 5.965 6.524 2.251 1.00 1.95 H new ATOM 0 HD2 LYS A 32 6.204 8.058 -0.027 1.00 1.42 H new ATOM 0 HD3 LYS A 32 4.493 8.249 0.300 1.00 1.42 H new ATOM 0 HE2 LYS A 32 6.284 8.441 2.698 1.00 1.05 H new ATOM 0 HE3 LYS A 32 6.450 9.741 1.534 1.00 1.05 H new ATOM 0 HZ1 LYS A 32 4.726 10.238 3.162 1.00 1.27 H new ATOM 0 HZ2 LYS A 32 4.039 10.087 1.617 1.00 1.27 H new ATOM 0 HZ3 LYS A 32 3.878 8.827 2.745 1.00 1.27 H new ATOM 519 N SER A 33 8.490 3.863 -0.177 1.00 0.80 N ATOM 520 CA SER A 33 9.359 3.036 -1.065 1.00 0.62 C ATOM 521 C SER A 33 9.822 1.790 -0.313 1.00 0.46 C ATOM 522 O SER A 33 9.998 0.732 -0.878 1.00 0.41 O ATOM 523 CB SER A 33 10.579 3.849 -1.495 1.00 0.59 C ATOM 524 OG SER A 33 10.959 4.718 -0.438 1.00 2.23 O ATOM 0 H SER A 33 8.911 4.738 0.136 1.00 0.80 H new ATOM 0 HA SER A 33 8.791 2.740 -1.947 1.00 0.62 H new ATOM 0 HB2 SER A 33 11.404 3.183 -1.748 1.00 0.59 H new ATOM 0 HB3 SER A 33 10.349 4.426 -2.391 1.00 0.59 H new ATOM 0 HG SER A 33 11.742 5.240 -0.710 1.00 2.23 H new ATOM 530 N LEU A 34 10.043 1.933 0.960 1.00 0.52 N ATOM 531 CA LEU A 34 10.520 0.792 1.792 1.00 0.67 C ATOM 532 C LEU A 34 9.374 -0.209 1.928 1.00 0.81 C ATOM 533 O LEU A 34 9.519 -1.380 1.636 1.00 0.91 O ATOM 534 CB LEU A 34 10.997 1.323 3.170 1.00 0.75 C ATOM 535 CG LEU A 34 12.184 0.492 3.671 1.00 0.84 C ATOM 536 CD1 LEU A 34 13.161 0.201 2.530 1.00 2.41 C ATOM 537 CD2 LEU A 34 12.930 1.271 4.752 1.00 1.77 C ATOM 0 H LEU A 34 9.912 2.806 1.470 1.00 0.52 H new ATOM 0 HA LEU A 34 11.368 0.289 1.327 1.00 0.67 H new ATOM 0 HB2 LEU A 34 11.286 2.370 3.085 1.00 0.75 H new ATOM 0 HB3 LEU A 34 10.180 1.275 3.890 1.00 0.75 H new ATOM 0 HG LEU A 34 11.799 -0.447 4.068 1.00 0.84 H new ATOM 0 HD11 LEU A 34 13.996 -0.390 2.907 1.00 2.41 H new ATOM 0 HD12 LEU A 34 12.648 -0.355 1.745 1.00 2.41 H new ATOM 0 HD13 LEU A 34 13.536 1.140 2.123 1.00 2.41 H new ATOM 0 HD21 LEU A 34 13.774 0.681 5.109 1.00 1.77 H new ATOM 0 HD22 LEU A 34 13.294 2.211 4.337 1.00 1.77 H new ATOM 0 HD23 LEU A 34 12.255 1.478 5.583 1.00 1.77 H new ATOM 549 N ARG A 35 8.223 0.258 2.307 1.00 0.85 N ATOM 550 CA ARG A 35 7.042 -0.641 2.396 1.00 1.03 C ATOM 551 C ARG A 35 6.614 -0.946 0.961 1.00 0.94 C ATOM 552 O ARG A 35 6.016 -1.960 0.669 1.00 1.03 O ATOM 553 CB ARG A 35 5.899 0.057 3.143 1.00 1.19 C ATOM 554 CG ARG A 35 4.982 -0.999 3.768 1.00 1.58 C ATOM 555 CD ARG A 35 3.569 -0.858 3.195 1.00 1.73 C ATOM 556 NE ARG A 35 2.827 0.191 3.951 1.00 1.49 N ATOM 557 CZ ARG A 35 1.731 -0.113 4.593 1.00 2.06 C ATOM 558 NH1 ARG A 35 0.725 -0.645 3.953 1.00 2.57 N ATOM 559 NH2 ARG A 35 1.637 0.119 5.873 1.00 2.61 N ATOM 0 H ARG A 35 8.046 1.230 2.561 1.00 0.85 H new ATOM 0 HA ARG A 35 7.287 -1.554 2.939 1.00 1.03 H new ATOM 0 HB2 ARG A 35 6.301 0.710 3.918 1.00 1.19 H new ATOM 0 HB3 ARG A 35 5.332 0.687 2.457 1.00 1.19 H new ATOM 0 HG2 ARG A 35 5.369 -1.997 3.565 1.00 1.58 H new ATOM 0 HG3 ARG A 35 4.959 -0.880 4.851 1.00 1.58 H new ATOM 0 HD2 ARG A 35 3.618 -0.593 2.139 1.00 1.73 H new ATOM 0 HD3 ARG A 35 3.042 -1.810 3.261 1.00 1.73 H new ATOM 0 HE ARG A 35 3.176 1.149 3.967 1.00 1.49 H new ATOM 0 HH11 ARG A 35 0.795 -0.823 2.951 1.00 2.57 H new ATOM 0 HH12 ARG A 35 -0.131 -0.882 4.455 1.00 2.57 H new ATOM 0 HH21 ARG A 35 2.420 0.538 6.374 1.00 2.61 H new ATOM 0 HH22 ARG A 35 0.780 -0.119 6.373 1.00 2.61 H new ATOM 573 N ALA A 36 6.966 -0.078 0.055 1.00 0.80 N ATOM 574 CA ALA A 36 6.639 -0.318 -1.379 1.00 0.75 C ATOM 575 C ALA A 36 7.938 -0.775 -2.036 1.00 0.70 C ATOM 576 O ALA A 36 8.156 -0.600 -3.219 1.00 0.70 O ATOM 577 CB ALA A 36 6.132 0.979 -2.045 1.00 0.82 C ATOM 0 H ALA A 36 7.467 0.790 0.245 1.00 0.80 H new ATOM 0 HA ALA A 36 5.851 -1.063 -1.485 1.00 0.75 H new ATOM 0 HB1 ALA A 36 5.899 0.783 -3.092 1.00 0.82 H new ATOM 0 HB2 ALA A 36 5.235 1.325 -1.532 1.00 0.82 H new ATOM 0 HB3 ALA A 36 6.904 1.746 -1.983 1.00 0.82 H new ATOM 583 N GLY A 37 8.829 -1.312 -1.238 1.00 0.69 N ATOM 584 CA GLY A 37 10.157 -1.728 -1.757 1.00 0.69 C ATOM 585 C GLY A 37 10.175 -3.180 -2.213 1.00 0.46 C ATOM 586 O GLY A 37 9.515 -4.039 -1.663 1.00 0.33 O ATOM 0 H GLY A 37 8.686 -1.479 -0.242 1.00 0.69 H new ATOM 0 HA2 GLY A 37 10.435 -1.085 -2.592 1.00 0.69 H new ATOM 0 HA3 GLY A 37 10.908 -1.585 -0.980 1.00 0.69 H new ATOM 590 N LYS A 38 10.982 -3.451 -3.199 1.00 0.51 N ATOM 591 CA LYS A 38 11.136 -4.839 -3.697 1.00 0.47 C ATOM 592 C LYS A 38 12.600 -5.216 -3.481 1.00 0.41 C ATOM 593 O LYS A 38 13.478 -4.619 -4.056 1.00 0.53 O ATOM 594 CB LYS A 38 10.799 -4.894 -5.190 1.00 0.76 C ATOM 595 CG LYS A 38 9.895 -6.096 -5.468 1.00 0.93 C ATOM 596 CD LYS A 38 10.076 -6.551 -6.920 1.00 2.00 C ATOM 597 CE LYS A 38 10.932 -7.820 -6.952 1.00 2.97 C ATOM 598 NZ LYS A 38 10.671 -8.571 -8.214 1.00 4.41 N ATOM 0 H LYS A 38 11.549 -2.757 -3.686 1.00 0.51 H new ATOM 0 HA LYS A 38 10.469 -5.525 -3.175 1.00 0.47 H new ATOM 0 HB2 LYS A 38 10.301 -3.974 -5.495 1.00 0.76 H new ATOM 0 HB3 LYS A 38 11.714 -4.971 -5.777 1.00 0.76 H new ATOM 0 HG2 LYS A 38 10.139 -6.912 -4.788 1.00 0.93 H new ATOM 0 HG3 LYS A 38 8.854 -5.830 -5.287 1.00 0.93 H new ATOM 0 HD2 LYS A 38 9.105 -6.742 -7.376 1.00 2.00 H new ATOM 0 HD3 LYS A 38 10.552 -5.763 -7.503 1.00 2.00 H new ATOM 0 HE2 LYS A 38 11.988 -7.560 -6.884 1.00 2.97 H new ATOM 0 HE3 LYS A 38 10.702 -8.447 -6.090 1.00 2.97 H new ATOM 0 HZ1 LYS A 38 11.254 -9.432 -8.232 1.00 4.41 H new ATOM 0 HZ2 LYS A 38 9.665 -8.832 -8.261 1.00 4.41 H new ATOM 0 HZ3 LYS A 38 10.911 -7.973 -9.030 1.00 4.41 H new ATOM 612 N VAL A 39 12.874 -6.181 -2.650 1.00 0.32 N ATOM 613 CA VAL A 39 14.298 -6.561 -2.390 1.00 0.29 C ATOM 614 C VAL A 39 14.444 -8.067 -2.509 1.00 0.22 C ATOM 615 O VAL A 39 13.485 -8.800 -2.382 1.00 0.20 O ATOM 616 CB VAL A 39 14.696 -6.141 -0.968 1.00 0.43 C ATOM 617 CG1 VAL A 39 13.560 -6.477 0.000 1.00 0.90 C ATOM 618 CG2 VAL A 39 15.955 -6.905 -0.530 1.00 0.44 C ATOM 0 H VAL A 39 12.179 -6.724 -2.139 1.00 0.32 H new ATOM 0 HA VAL A 39 14.939 -6.061 -3.116 1.00 0.29 H new ATOM 0 HB VAL A 39 14.893 -5.069 -0.959 1.00 0.43 H new ATOM 0 HG11 VAL A 39 13.842 -6.179 1.010 1.00 0.90 H new ATOM 0 HG12 VAL A 39 12.658 -5.942 -0.298 1.00 0.90 H new ATOM 0 HG13 VAL A 39 13.369 -7.550 -0.022 1.00 0.90 H new ATOM 0 HG21 VAL A 39 16.232 -6.602 0.480 1.00 0.44 H new ATOM 0 HG22 VAL A 39 15.754 -7.976 -0.545 1.00 0.44 H new ATOM 0 HG23 VAL A 39 16.774 -6.680 -1.213 1.00 0.44 H new ATOM 628 N ASP A 40 15.633 -8.553 -2.729 1.00 0.22 N ATOM 629 CA ASP A 40 15.785 -10.022 -2.821 1.00 0.24 C ATOM 630 C ASP A 40 16.048 -10.569 -1.420 1.00 0.27 C ATOM 631 O ASP A 40 17.120 -10.405 -0.875 1.00 0.27 O ATOM 632 CB ASP A 40 16.965 -10.361 -3.734 1.00 0.23 C ATOM 633 CG ASP A 40 16.601 -10.033 -5.183 1.00 1.40 C ATOM 634 OD1 ASP A 40 16.303 -8.882 -5.452 1.00 2.98 O ATOM 635 OD2 ASP A 40 16.624 -10.941 -5.997 1.00 1.40 O ATOM 0 H ASP A 40 16.486 -8.007 -2.846 1.00 0.22 H new ATOM 0 HA ASP A 40 14.879 -10.467 -3.234 1.00 0.24 H new ATOM 0 HB2 ASP A 40 17.846 -9.795 -3.432 1.00 0.23 H new ATOM 0 HB3 ASP A 40 17.218 -11.417 -3.642 1.00 0.23 H new ATOM 640 N PHE A 41 15.095 -11.249 -0.845 1.00 0.30 N ATOM 641 CA PHE A 41 15.329 -11.827 0.501 1.00 0.34 C ATOM 642 C PHE A 41 15.681 -13.286 0.285 1.00 0.38 C ATOM 643 O PHE A 41 14.845 -14.070 -0.108 1.00 0.40 O ATOM 644 CB PHE A 41 14.068 -11.694 1.370 1.00 0.34 C ATOM 645 CG PHE A 41 14.195 -10.480 2.274 1.00 0.35 C ATOM 646 CD1 PHE A 41 15.142 -9.486 1.986 1.00 0.32 C ATOM 647 CD2 PHE A 41 13.370 -10.345 3.408 1.00 0.40 C ATOM 648 CE1 PHE A 41 15.263 -8.369 2.821 1.00 0.34 C ATOM 649 CE2 PHE A 41 13.496 -9.228 4.238 1.00 0.42 C ATOM 650 CZ PHE A 41 14.441 -8.242 3.945 1.00 0.39 C ATOM 0 H PHE A 41 14.174 -11.427 -1.247 1.00 0.30 H new ATOM 0 HA PHE A 41 16.131 -11.304 1.022 1.00 0.34 H new ATOM 0 HB2 PHE A 41 13.186 -11.597 0.736 1.00 0.34 H new ATOM 0 HB3 PHE A 41 13.932 -12.594 1.970 1.00 0.34 H new ATOM 0 HD1 PHE A 41 15.779 -9.583 1.119 1.00 0.32 H new ATOM 0 HD2 PHE A 41 12.639 -11.106 3.636 1.00 0.40 H new ATOM 0 HE1 PHE A 41 15.992 -7.604 2.597 1.00 0.34 H new ATOM 0 HE2 PHE A 41 12.862 -9.127 5.107 1.00 0.42 H new ATOM 0 HZ PHE A 41 14.537 -7.380 4.588 1.00 0.39 H new ATOM 660 N THR A 42 16.928 -13.610 0.527 1.00 0.39 N ATOM 661 CA THR A 42 17.478 -14.983 0.340 1.00 0.45 C ATOM 662 C THR A 42 18.782 -14.865 -0.445 1.00 0.37 C ATOM 663 O THR A 42 19.007 -13.880 -1.120 1.00 0.28 O ATOM 664 CB THR A 42 16.506 -15.868 -0.417 1.00 0.46 C ATOM 665 OG1 THR A 42 17.046 -17.176 -0.547 1.00 0.51 O ATOM 666 CG2 THR A 42 16.278 -15.261 -1.793 1.00 0.35 C ATOM 0 H THR A 42 17.619 -12.939 0.864 1.00 0.39 H new ATOM 0 HA THR A 42 17.649 -15.439 1.315 1.00 0.45 H new ATOM 0 HB THR A 42 15.561 -15.935 0.122 1.00 0.46 H new ATOM 0 HG1 THR A 42 16.414 -17.744 -1.035 1.00 0.51 H new ATOM 0 HG21 THR A 42 15.581 -15.883 -2.354 1.00 0.35 H new ATOM 0 HG22 THR A 42 15.863 -14.259 -1.684 1.00 0.35 H new ATOM 0 HG23 THR A 42 17.226 -15.205 -2.328 1.00 0.35 H new ATOM 674 N GLY A 43 19.668 -15.826 -0.334 1.00 0.45 N ATOM 675 CA GLY A 43 20.970 -15.692 -1.050 1.00 0.48 C ATOM 676 C GLY A 43 21.474 -14.288 -0.738 1.00 0.53 C ATOM 677 O GLY A 43 22.158 -13.653 -1.516 1.00 0.55 O ATOM 0 H GLY A 43 19.548 -16.680 0.211 1.00 0.45 H new ATOM 0 HA2 GLY A 43 21.681 -16.446 -0.713 1.00 0.48 H new ATOM 0 HA3 GLY A 43 20.842 -15.832 -2.123 1.00 0.48 H new ATOM 681 N SER A 44 21.079 -13.802 0.407 1.00 0.57 N ATOM 682 CA SER A 44 21.434 -12.435 0.846 1.00 0.61 C ATOM 683 C SER A 44 22.333 -12.524 2.077 1.00 0.54 C ATOM 684 O SER A 44 22.553 -13.596 2.604 1.00 0.55 O ATOM 685 CB SER A 44 20.125 -11.745 1.209 1.00 0.69 C ATOM 686 OG SER A 44 19.893 -10.673 0.309 1.00 2.92 O ATOM 0 H SER A 44 20.506 -14.319 1.074 1.00 0.57 H new ATOM 0 HA SER A 44 21.964 -11.885 0.069 1.00 0.61 H new ATOM 0 HB2 SER A 44 19.301 -12.457 1.164 1.00 0.69 H new ATOM 0 HB3 SER A 44 20.169 -11.372 2.232 1.00 0.69 H new ATOM 0 HG SER A 44 20.749 -10.343 -0.035 1.00 2.92 H new ATOM 692 N PHE A 45 22.852 -11.425 2.566 1.00 0.47 N ATOM 693 CA PHE A 45 23.711 -11.531 3.772 1.00 0.38 C ATOM 694 C PHE A 45 23.595 -10.281 4.632 1.00 0.35 C ATOM 695 O PHE A 45 23.400 -9.183 4.155 1.00 0.47 O ATOM 696 CB PHE A 45 25.177 -11.719 3.371 1.00 0.34 C ATOM 697 CG PHE A 45 25.332 -13.008 2.606 1.00 0.35 C ATOM 698 CD1 PHE A 45 25.086 -14.235 3.232 1.00 0.78 C ATOM 699 CD2 PHE A 45 25.721 -12.976 1.267 1.00 1.31 C ATOM 700 CE1 PHE A 45 25.232 -15.428 2.513 1.00 0.81 C ATOM 701 CE2 PHE A 45 25.867 -14.159 0.548 1.00 1.30 C ATOM 702 CZ PHE A 45 25.622 -15.390 1.167 1.00 0.38 C ATOM 0 H PHE A 45 22.720 -10.486 2.191 1.00 0.47 H new ATOM 0 HA PHE A 45 23.372 -12.395 4.343 1.00 0.38 H new ATOM 0 HB2 PHE A 45 25.507 -10.880 2.759 1.00 0.34 H new ATOM 0 HB3 PHE A 45 25.808 -11.734 4.259 1.00 0.34 H new ATOM 0 HD1 PHE A 45 24.784 -14.262 4.269 1.00 0.78 H new ATOM 0 HD2 PHE A 45 25.910 -12.028 0.785 1.00 1.31 H new ATOM 0 HE1 PHE A 45 25.044 -16.376 2.995 1.00 0.81 H new ATOM 0 HE2 PHE A 45 26.170 -14.127 -0.488 1.00 1.30 H new ATOM 0 HZ PHE A 45 25.733 -16.308 0.609 1.00 0.38 H new ATOM 712 N ALA A 46 23.763 -10.459 5.901 1.00 0.21 N ATOM 713 CA ALA A 46 23.731 -9.330 6.857 1.00 0.15 C ATOM 714 C ALA A 46 25.069 -9.397 7.589 1.00 0.13 C ATOM 715 O ALA A 46 25.638 -10.463 7.720 1.00 0.17 O ATOM 716 CB ALA A 46 22.550 -9.464 7.826 1.00 0.12 C ATOM 0 H ALA A 46 23.927 -11.369 6.331 1.00 0.21 H new ATOM 0 HA ALA A 46 23.594 -8.371 6.358 1.00 0.15 H new ATOM 0 HB1 ALA A 46 22.550 -8.622 8.518 1.00 0.12 H new ATOM 0 HB2 ALA A 46 21.617 -9.472 7.263 1.00 0.12 H new ATOM 0 HB3 ALA A 46 22.643 -10.394 8.387 1.00 0.12 H new ATOM 722 N ARG A 47 25.626 -8.304 8.013 1.00 0.09 N ATOM 723 CA ARG A 47 26.968 -8.403 8.653 1.00 0.10 C ATOM 724 C ARG A 47 26.857 -8.146 10.153 1.00 0.16 C ATOM 725 O ARG A 47 25.969 -7.461 10.621 1.00 0.25 O ATOM 726 CB ARG A 47 27.900 -7.374 8.009 1.00 0.09 C ATOM 727 CG ARG A 47 28.351 -6.354 9.057 1.00 0.58 C ATOM 728 CD ARG A 47 29.389 -5.417 8.438 1.00 0.84 C ATOM 729 NE ARG A 47 29.062 -5.200 7.002 1.00 3.04 N ATOM 730 CZ ARG A 47 30.021 -5.088 6.125 1.00 3.47 C ATOM 731 NH1 ARG A 47 30.864 -4.098 6.207 1.00 2.11 N ATOM 732 NH2 ARG A 47 30.133 -5.963 5.163 1.00 5.35 N ATOM 0 H ARG A 47 25.227 -7.367 7.949 1.00 0.09 H new ATOM 0 HA ARG A 47 27.371 -9.405 8.506 1.00 0.10 H new ATOM 0 HB2 ARG A 47 28.767 -7.875 7.579 1.00 0.09 H new ATOM 0 HB3 ARG A 47 27.387 -6.867 7.192 1.00 0.09 H new ATOM 0 HG2 ARG A 47 27.496 -5.781 9.415 1.00 0.58 H new ATOM 0 HG3 ARG A 47 28.776 -6.866 9.920 1.00 0.58 H new ATOM 0 HD2 ARG A 47 29.398 -4.465 8.969 1.00 0.84 H new ATOM 0 HD3 ARG A 47 30.386 -5.846 8.535 1.00 0.84 H new ATOM 0 HE ARG A 47 28.088 -5.139 6.704 1.00 3.04 H new ATOM 0 HH11 ARG A 47 30.774 -3.412 6.956 1.00 2.11 H new ATOM 0 HH12 ARG A 47 31.614 -4.009 5.522 1.00 2.11 H new ATOM 0 HH21 ARG A 47 29.470 -6.735 5.096 1.00 5.35 H new ATOM 0 HH22 ARG A 47 30.883 -5.874 4.478 1.00 5.35 H new ATOM 746 N PHE A 48 27.741 -8.741 10.912 1.00 0.26 N ATOM 747 CA PHE A 48 27.691 -8.595 12.383 1.00 0.33 C ATOM 748 C PHE A 48 28.879 -7.794 12.878 1.00 0.27 C ATOM 749 O PHE A 48 29.994 -8.273 12.950 1.00 0.43 O ATOM 750 CB PHE A 48 27.735 -9.977 13.033 1.00 0.59 C ATOM 751 CG PHE A 48 28.595 -10.899 12.200 1.00 0.96 C ATOM 752 CD1 PHE A 48 28.060 -11.528 11.069 1.00 1.22 C ATOM 753 CD2 PHE A 48 29.933 -11.120 12.553 1.00 1.90 C ATOM 754 CE1 PHE A 48 28.859 -12.377 10.295 1.00 2.05 C ATOM 755 CE2 PHE A 48 30.732 -11.970 11.779 1.00 2.55 C ATOM 756 CZ PHE A 48 30.195 -12.598 10.650 1.00 2.56 C ATOM 0 H PHE A 48 28.500 -9.326 10.564 1.00 0.26 H new ATOM 0 HA PHE A 48 26.769 -8.078 12.647 1.00 0.33 H new ATOM 0 HB2 PHE A 48 28.136 -9.903 14.044 1.00 0.59 H new ATOM 0 HB3 PHE A 48 26.727 -10.382 13.119 1.00 0.59 H new ATOM 0 HD1 PHE A 48 27.030 -11.358 10.794 1.00 1.22 H new ATOM 0 HD2 PHE A 48 30.348 -10.634 13.423 1.00 1.90 H new ATOM 0 HE1 PHE A 48 28.445 -12.862 9.423 1.00 2.05 H new ATOM 0 HE2 PHE A 48 31.763 -12.141 12.053 1.00 2.55 H new ATOM 0 HZ PHE A 48 30.811 -13.253 10.052 1.00 2.56 H new ATOM 766 N GLU A 49 28.629 -6.596 13.263 1.00 0.11 N ATOM 767 CA GLU A 49 29.711 -5.749 13.813 1.00 0.18 C ATOM 768 C GLU A 49 29.554 -5.730 15.333 1.00 0.20 C ATOM 769 O GLU A 49 30.009 -4.826 16.003 1.00 0.23 O ATOM 770 CB GLU A 49 29.591 -4.325 13.262 1.00 0.23 C ATOM 771 CG GLU A 49 30.972 -3.836 12.831 1.00 0.80 C ATOM 772 CD GLU A 49 31.375 -4.536 11.533 1.00 1.48 C ATOM 773 OE1 GLU A 49 30.951 -4.082 10.483 1.00 0.89 O ATOM 774 OE2 GLU A 49 32.098 -5.515 11.612 1.00 3.17 O ATOM 0 H GLU A 49 27.711 -6.153 13.223 1.00 0.11 H new ATOM 0 HA GLU A 49 30.687 -6.145 13.531 1.00 0.18 H new ATOM 0 HB2 GLU A 49 28.905 -4.306 12.415 1.00 0.23 H new ATOM 0 HB3 GLU A 49 29.178 -3.662 14.022 1.00 0.23 H new ATOM 0 HG2 GLU A 49 30.959 -2.756 12.686 1.00 0.80 H new ATOM 0 HG3 GLU A 49 31.704 -4.044 13.612 1.00 0.80 H new ATOM 781 N ASP A 50 28.886 -6.723 15.877 1.00 0.20 N ATOM 782 CA ASP A 50 28.668 -6.759 17.352 1.00 0.24 C ATOM 783 C ASP A 50 28.258 -5.360 17.795 1.00 0.26 C ATOM 784 O ASP A 50 28.819 -4.790 18.708 1.00 0.15 O ATOM 785 CB ASP A 50 29.960 -7.165 18.060 1.00 0.28 C ATOM 786 CG ASP A 50 30.133 -8.681 17.969 1.00 0.48 C ATOM 787 OD1 ASP A 50 29.190 -9.342 17.564 1.00 0.56 O ATOM 788 OD2 ASP A 50 31.205 -9.156 18.304 1.00 1.04 O ATOM 0 H ASP A 50 28.485 -7.506 15.360 1.00 0.20 H new ATOM 0 HA ASP A 50 27.894 -7.484 17.604 1.00 0.24 H new ATOM 0 HB2 ASP A 50 30.812 -6.662 17.602 1.00 0.28 H new ATOM 0 HB3 ASP A 50 29.929 -6.853 19.104 1.00 0.28 H new ATOM 793 N GLY A 51 27.291 -4.804 17.125 1.00 0.42 N ATOM 794 CA GLY A 51 26.823 -3.435 17.458 1.00 0.46 C ATOM 795 C GLY A 51 25.926 -2.951 16.325 1.00 0.37 C ATOM 796 O GLY A 51 24.931 -2.286 16.538 1.00 0.27 O ATOM 0 H GLY A 51 26.799 -5.248 16.350 1.00 0.42 H new ATOM 0 HA2 GLY A 51 26.276 -3.439 18.401 1.00 0.46 H new ATOM 0 HA3 GLY A 51 27.672 -2.763 17.585 1.00 0.46 H new ATOM 800 N GLU A 52 26.269 -3.295 15.115 1.00 0.40 N ATOM 801 CA GLU A 52 25.439 -2.873 13.959 1.00 0.31 C ATOM 802 C GLU A 52 25.209 -4.066 13.029 1.00 0.35 C ATOM 803 O GLU A 52 26.105 -4.841 12.759 1.00 0.50 O ATOM 804 CB GLU A 52 26.156 -1.759 13.191 1.00 0.32 C ATOM 805 CG GLU A 52 26.139 -0.478 14.025 1.00 0.35 C ATOM 806 CD GLU A 52 27.531 -0.231 14.608 1.00 0.97 C ATOM 807 OE1 GLU A 52 28.223 -1.202 14.872 1.00 1.80 O ATOM 808 OE2 GLU A 52 27.882 0.923 14.784 1.00 1.01 O ATOM 0 H GLU A 52 27.091 -3.851 14.879 1.00 0.40 H new ATOM 0 HA GLU A 52 24.479 -2.505 14.321 1.00 0.31 H new ATOM 0 HB2 GLU A 52 27.183 -2.053 12.976 1.00 0.32 H new ATOM 0 HB3 GLU A 52 25.666 -1.589 12.232 1.00 0.32 H new ATOM 0 HG2 GLU A 52 25.837 0.367 13.407 1.00 0.35 H new ATOM 0 HG3 GLU A 52 25.407 -0.564 14.828 1.00 0.35 H new ATOM 815 N LEU A 53 24.022 -4.193 12.510 1.00 0.25 N ATOM 816 CA LEU A 53 23.721 -5.291 11.568 1.00 0.31 C ATOM 817 C LEU A 53 23.421 -4.631 10.237 1.00 0.16 C ATOM 818 O LEU A 53 22.369 -4.068 10.021 1.00 0.13 O ATOM 819 CB LEU A 53 22.521 -6.108 12.041 1.00 0.46 C ATOM 820 CG LEU A 53 22.641 -7.529 11.488 1.00 1.19 C ATOM 821 CD1 LEU A 53 23.017 -8.494 12.616 1.00 1.43 C ATOM 822 CD2 LEU A 53 21.306 -7.950 10.878 1.00 1.42 C ATOM 0 H LEU A 53 23.238 -3.570 12.705 1.00 0.25 H new ATOM 0 HA LEU A 53 24.560 -5.983 11.494 1.00 0.31 H new ATOM 0 HB2 LEU A 53 22.485 -6.129 13.130 1.00 0.46 H new ATOM 0 HB3 LEU A 53 21.594 -5.648 11.700 1.00 0.46 H new ATOM 0 HG LEU A 53 23.416 -7.554 10.722 1.00 1.19 H new ATOM 0 HD11 LEU A 53 23.101 -9.505 12.217 1.00 1.43 H new ATOM 0 HD12 LEU A 53 23.971 -8.194 13.049 1.00 1.43 H new ATOM 0 HD13 LEU A 53 22.246 -8.471 13.386 1.00 1.43 H new ATOM 0 HD21 LEU A 53 21.390 -8.963 10.483 1.00 1.42 H new ATOM 0 HD22 LEU A 53 20.531 -7.922 11.644 1.00 1.42 H new ATOM 0 HD23 LEU A 53 21.043 -7.266 10.071 1.00 1.42 H new ATOM 834 N TYR A 54 24.373 -4.637 9.379 1.00 0.17 N ATOM 835 CA TYR A 54 24.216 -3.940 8.076 1.00 0.14 C ATOM 836 C TYR A 54 23.602 -4.818 7.014 1.00 0.14 C ATOM 837 O TYR A 54 23.930 -5.981 6.879 1.00 0.19 O ATOM 838 CB TYR A 54 25.604 -3.561 7.570 1.00 0.25 C ATOM 839 CG TYR A 54 26.093 -2.383 8.358 1.00 0.45 C ATOM 840 CD1 TYR A 54 25.393 -1.180 8.285 1.00 0.64 C ATOM 841 CD2 TYR A 54 27.220 -2.494 9.177 1.00 0.78 C ATOM 842 CE1 TYR A 54 25.814 -0.080 9.025 1.00 0.85 C ATOM 843 CE2 TYR A 54 27.652 -1.391 9.922 1.00 0.93 C ATOM 844 CZ TYR A 54 26.946 -0.181 9.848 1.00 0.87 C ATOM 845 OH TYR A 54 27.363 0.909 10.583 1.00 1.09 O ATOM 0 H TYR A 54 25.272 -5.099 9.515 1.00 0.17 H new ATOM 0 HA TYR A 54 23.565 -3.082 8.246 1.00 0.14 H new ATOM 0 HB2 TYR A 54 26.290 -4.401 7.680 1.00 0.25 H new ATOM 0 HB3 TYR A 54 25.566 -3.317 6.508 1.00 0.25 H new ATOM 0 HD1 TYR A 54 24.521 -1.102 7.652 1.00 0.64 H new ATOM 0 HD2 TYR A 54 27.757 -3.429 9.235 1.00 0.78 H new ATOM 0 HE1 TYR A 54 25.270 0.851 8.966 1.00 0.85 H new ATOM 0 HE2 TYR A 54 28.526 -1.471 10.552 1.00 0.93 H new ATOM 0 HH TYR A 54 28.160 0.669 11.100 1.00 1.09 H new ATOM 855 N LEU A 55 22.792 -4.237 6.178 1.00 0.12 N ATOM 856 CA LEU A 55 22.278 -5.021 5.056 1.00 0.12 C ATOM 857 C LEU A 55 23.548 -5.312 4.282 1.00 0.22 C ATOM 858 O LEU A 55 24.412 -4.459 4.211 1.00 0.28 O ATOM 859 CB LEU A 55 21.364 -4.193 4.154 1.00 0.11 C ATOM 860 CG LEU A 55 19.905 -4.583 4.359 1.00 0.08 C ATOM 861 CD1 LEU A 55 19.074 -3.369 4.785 1.00 0.25 C ATOM 862 CD2 LEU A 55 19.372 -5.115 3.029 1.00 0.10 C ATOM 0 H LEU A 55 22.475 -3.269 6.231 1.00 0.12 H new ATOM 0 HA LEU A 55 21.701 -5.886 5.382 1.00 0.12 H new ATOM 0 HB2 LEU A 55 21.496 -3.133 4.370 1.00 0.11 H new ATOM 0 HB3 LEU A 55 21.642 -4.343 3.111 1.00 0.11 H new ATOM 0 HG LEU A 55 19.834 -5.338 5.142 1.00 0.08 H new ATOM 0 HD11 LEU A 55 18.036 -3.670 4.926 1.00 0.25 H new ATOM 0 HD12 LEU A 55 19.466 -2.970 5.720 1.00 0.25 H new ATOM 0 HD13 LEU A 55 19.128 -2.602 4.012 1.00 0.25 H new ATOM 0 HD21 LEU A 55 18.327 -5.403 3.145 1.00 0.10 H new ATOM 0 HD22 LEU A 55 19.452 -4.339 2.268 1.00 0.10 H new ATOM 0 HD23 LEU A 55 19.956 -5.983 2.724 1.00 0.10 H new ATOM 874 N GLU A 56 23.739 -6.453 3.733 1.00 0.26 N ATOM 875 CA GLU A 56 25.035 -6.644 3.034 1.00 0.38 C ATOM 876 C GLU A 56 24.774 -7.178 1.639 1.00 0.41 C ATOM 877 O GLU A 56 24.860 -6.445 0.676 1.00 0.82 O ATOM 878 CB GLU A 56 25.924 -7.572 3.865 1.00 0.45 C ATOM 879 CG GLU A 56 27.116 -8.034 3.023 1.00 0.63 C ATOM 880 CD GLU A 56 27.994 -6.831 2.669 1.00 2.29 C ATOM 881 OE1 GLU A 56 27.628 -5.726 3.035 1.00 3.04 O ATOM 882 OE2 GLU A 56 29.017 -7.037 2.037 1.00 2.87 O ATOM 0 H GLU A 56 23.092 -7.241 3.728 1.00 0.26 H new ATOM 0 HA GLU A 56 25.564 -5.697 2.927 1.00 0.38 H new ATOM 0 HB2 GLU A 56 26.276 -7.053 4.756 1.00 0.45 H new ATOM 0 HB3 GLU A 56 25.350 -8.434 4.204 1.00 0.45 H new ATOM 0 HG2 GLU A 56 27.699 -8.772 3.574 1.00 0.63 H new ATOM 0 HG3 GLU A 56 26.764 -8.520 2.113 1.00 0.63 H new ATOM 889 N ASN A 57 24.415 -8.411 1.503 1.00 0.48 N ATOM 890 CA ASN A 57 24.108 -8.903 0.143 1.00 0.47 C ATOM 891 C ASN A 57 22.602 -8.786 -0.058 1.00 0.42 C ATOM 892 O ASN A 57 22.030 -9.409 -0.932 1.00 0.46 O ATOM 893 CB ASN A 57 24.558 -10.354 -0.035 1.00 0.57 C ATOM 894 CG ASN A 57 24.265 -10.795 -1.469 1.00 0.78 C ATOM 895 OD1 ASN A 57 24.224 -9.980 -2.370 1.00 2.22 O ATOM 896 ND2 ASN A 57 24.054 -12.057 -1.723 1.00 0.75 N ATOM 0 H ASN A 57 24.321 -9.091 2.257 1.00 0.48 H new ATOM 0 HA ASN A 57 24.644 -8.309 -0.597 1.00 0.47 H new ATOM 0 HB2 ASN A 57 25.623 -10.446 0.177 1.00 0.57 H new ATOM 0 HB3 ASN A 57 24.036 -10.999 0.671 1.00 0.57 H new ATOM 0 HD21 ASN A 57 23.855 -12.359 -2.677 1.00 0.75 H new ATOM 0 HD22 ASN A 57 24.088 -12.742 -0.968 1.00 0.75 H new ATOM 903 N LEU A 58 21.949 -7.964 0.736 1.00 0.37 N ATOM 904 CA LEU A 58 20.487 -7.786 0.570 1.00 0.35 C ATOM 905 C LEU A 58 20.286 -6.532 -0.261 1.00 0.33 C ATOM 906 O LEU A 58 20.561 -5.433 0.175 1.00 0.48 O ATOM 907 CB LEU A 58 19.835 -7.629 1.931 1.00 0.41 C ATOM 908 CG LEU A 58 19.608 -8.998 2.535 1.00 0.82 C ATOM 909 CD1 LEU A 58 19.534 -8.863 4.052 1.00 1.51 C ATOM 910 CD2 LEU A 58 18.303 -9.581 1.995 1.00 0.96 C ATOM 0 H LEU A 58 22.373 -7.416 1.485 1.00 0.37 H new ATOM 0 HA LEU A 58 20.035 -8.648 0.079 1.00 0.35 H new ATOM 0 HB2 LEU A 58 20.470 -7.031 2.585 1.00 0.41 H new ATOM 0 HB3 LEU A 58 18.887 -7.099 1.835 1.00 0.41 H new ATOM 0 HG LEU A 58 20.429 -9.665 2.271 1.00 0.82 H new ATOM 0 HD11 LEU A 58 19.370 -9.844 4.497 1.00 1.51 H new ATOM 0 HD12 LEU A 58 20.469 -8.446 4.426 1.00 1.51 H new ATOM 0 HD13 LEU A 58 18.709 -8.202 4.319 1.00 1.51 H new ATOM 0 HD21 LEU A 58 18.138 -10.567 2.429 1.00 0.96 H new ATOM 0 HD22 LEU A 58 17.474 -8.925 2.260 1.00 0.96 H new ATOM 0 HD23 LEU A 58 18.365 -9.668 0.910 1.00 0.96 H new ATOM 922 N TYR A 59 19.881 -6.692 -1.478 1.00 0.22 N ATOM 923 CA TYR A 59 19.745 -5.515 -2.373 1.00 0.26 C ATOM 924 C TYR A 59 18.304 -5.072 -2.515 1.00 0.32 C ATOM 925 O TYR A 59 17.430 -5.833 -2.872 1.00 0.52 O ATOM 926 CB TYR A 59 20.306 -5.914 -3.717 1.00 0.37 C ATOM 927 CG TYR A 59 21.778 -6.213 -3.537 1.00 0.36 C ATOM 928 CD1 TYR A 59 22.424 -5.916 -2.314 1.00 0.29 C ATOM 929 CD2 TYR A 59 22.503 -6.780 -4.589 1.00 0.50 C ATOM 930 CE1 TYR A 59 23.788 -6.196 -2.168 1.00 0.36 C ATOM 931 CE2 TYR A 59 23.865 -7.056 -4.434 1.00 0.52 C ATOM 932 CZ TYR A 59 24.507 -6.765 -3.227 1.00 0.44 C ATOM 933 OH TYR A 59 25.852 -7.035 -3.082 1.00 0.51 O ATOM 0 H TYR A 59 19.636 -7.589 -1.898 1.00 0.22 H new ATOM 0 HA TYR A 59 20.286 -4.668 -1.951 1.00 0.26 H new ATOM 0 HB2 TYR A 59 19.784 -6.789 -4.104 1.00 0.37 H new ATOM 0 HB3 TYR A 59 20.165 -5.112 -4.442 1.00 0.37 H new ATOM 0 HD1 TYR A 59 21.869 -5.476 -1.499 1.00 0.29 H new ATOM 0 HD2 TYR A 59 22.010 -7.005 -5.523 1.00 0.50 H new ATOM 0 HE1 TYR A 59 24.287 -5.973 -1.237 1.00 0.36 H new ATOM 0 HE2 TYR A 59 24.422 -7.495 -5.249 1.00 0.52 H new ATOM 0 HH TYR A 59 26.198 -7.429 -3.910 1.00 0.51 H new ATOM 943 N ILE A 60 18.056 -3.825 -2.248 1.00 0.27 N ATOM 944 CA ILE A 60 16.679 -3.314 -2.361 1.00 0.34 C ATOM 945 C ILE A 60 16.452 -2.721 -3.756 1.00 0.48 C ATOM 946 O ILE A 60 16.883 -1.627 -4.057 1.00 0.14 O ATOM 947 CB ILE A 60 16.495 -2.233 -1.298 1.00 0.39 C ATOM 948 CG1 ILE A 60 17.044 -2.745 0.039 1.00 0.47 C ATOM 949 CG2 ILE A 60 15.010 -1.900 -1.155 1.00 0.38 C ATOM 950 CD1 ILE A 60 18.367 -2.045 0.323 1.00 1.28 C ATOM 0 H ILE A 60 18.753 -3.140 -1.956 1.00 0.27 H new ATOM 0 HA ILE A 60 15.961 -4.120 -2.213 1.00 0.34 H new ATOM 0 HB ILE A 60 17.034 -1.332 -1.593 1.00 0.39 H new ATOM 0 HG12 ILE A 60 16.332 -2.547 0.840 1.00 0.47 H new ATOM 0 HG13 ILE A 60 17.188 -3.825 -0.000 1.00 0.47 H new ATOM 0 HG21 ILE A 60 14.882 -1.128 -0.396 1.00 0.38 H new ATOM 0 HG22 ILE A 60 14.625 -1.539 -2.108 1.00 0.38 H new ATOM 0 HG23 ILE A 60 14.463 -2.795 -0.859 1.00 0.38 H new ATOM 0 HD11 ILE A 60 18.770 -2.399 1.272 1.00 1.28 H new ATOM 0 HD12 ILE A 60 19.074 -2.265 -0.477 1.00 1.28 H new ATOM 0 HD13 ILE A 60 18.205 -0.969 0.377 1.00 1.28 H new ATOM 962 N ALA A 61 15.741 -3.432 -4.592 1.00 0.94 N ATOM 963 CA ALA A 61 15.438 -2.919 -5.961 1.00 1.06 C ATOM 964 C ALA A 61 14.107 -2.158 -5.901 1.00 1.01 C ATOM 965 O ALA A 61 13.072 -2.753 -5.675 1.00 0.72 O ATOM 966 CB ALA A 61 15.307 -4.097 -6.932 1.00 0.92 C ATOM 0 H ALA A 61 15.355 -4.353 -4.383 1.00 0.94 H new ATOM 0 HA ALA A 61 16.237 -2.262 -6.304 1.00 1.06 H new ATOM 0 HB1 ALA A 61 15.086 -3.722 -7.931 1.00 0.92 H new ATOM 0 HB2 ALA A 61 16.242 -4.657 -6.953 1.00 0.92 H new ATOM 0 HB3 ALA A 61 14.500 -4.752 -6.603 1.00 0.92 H new ATOM 1243 N LYS A 78 21.032 -0.282 6.463 1.00 1.18 N ATOM 1244 CA LYS A 78 21.795 -0.837 7.622 1.00 0.58 C ATOM 1245 C LYS A 78 20.819 -1.338 8.695 1.00 0.52 C ATOM 1246 O LYS A 78 20.489 -0.603 9.605 1.00 0.58 O ATOM 1247 CB LYS A 78 22.645 0.283 8.222 1.00 0.65 C ATOM 1248 CG LYS A 78 23.321 1.069 7.098 1.00 1.97 C ATOM 1249 CD LYS A 78 23.884 2.379 7.654 1.00 1.51 C ATOM 1250 CE LYS A 78 22.861 3.501 7.456 1.00 1.45 C ATOM 1251 NZ LYS A 78 23.056 4.539 8.507 1.00 1.46 N ATOM 0 HA LYS A 78 22.422 -1.663 7.286 1.00 0.58 H new ATOM 0 HB2 LYS A 78 22.021 0.947 8.820 1.00 0.65 H new ATOM 0 HB3 LYS A 78 23.397 -0.135 8.891 1.00 0.65 H new ATOM 0 HG2 LYS A 78 24.122 0.476 6.656 1.00 1.97 H new ATOM 0 HG3 LYS A 78 22.604 1.278 6.304 1.00 1.97 H new ATOM 0 HD2 LYS A 78 24.116 2.267 8.713 1.00 1.51 H new ATOM 0 HD3 LYS A 78 24.817 2.630 7.149 1.00 1.51 H new ATOM 0 HE2 LYS A 78 22.977 3.943 6.466 1.00 1.45 H new ATOM 0 HE3 LYS A 78 21.849 3.099 7.509 1.00 1.45 H new ATOM 0 HZ1 LYS A 78 22.362 5.302 8.374 1.00 1.46 H new ATOM 0 HZ2 LYS A 78 22.925 4.111 9.446 1.00 1.46 H new ATOM 0 HZ3 LYS A 78 24.017 4.929 8.435 1.00 1.46 H new ATOM 1265 N LEU A 79 20.341 -2.563 8.623 1.00 0.46 N ATOM 1266 CA LEU A 79 19.384 -3.015 9.697 1.00 0.55 C ATOM 1267 C LEU A 79 19.916 -2.611 11.086 1.00 0.44 C ATOM 1268 O LEU A 79 21.060 -2.836 11.419 1.00 0.68 O ATOM 1269 CB LEU A 79 19.230 -4.539 9.647 1.00 0.61 C ATOM 1270 CG LEU A 79 18.704 -4.965 8.276 1.00 0.76 C ATOM 1271 CD1 LEU A 79 19.849 -5.555 7.450 1.00 0.18 C ATOM 1272 CD2 LEU A 79 17.616 -6.024 8.460 1.00 1.40 C ATOM 0 H LEU A 79 20.559 -3.247 7.899 1.00 0.46 H new ATOM 0 HA LEU A 79 18.418 -2.540 9.525 1.00 0.55 H new ATOM 0 HB2 LEU A 79 20.190 -5.017 9.842 1.00 0.61 H new ATOM 0 HB3 LEU A 79 18.545 -4.870 10.428 1.00 0.61 H new ATOM 0 HG LEU A 79 18.291 -4.099 7.759 1.00 0.76 H new ATOM 0 HD11 LEU A 79 19.474 -5.859 6.473 1.00 0.18 H new ATOM 0 HD12 LEU A 79 20.629 -4.805 7.322 1.00 0.18 H new ATOM 0 HD13 LEU A 79 20.261 -6.422 7.966 1.00 0.18 H new ATOM 0 HD21 LEU A 79 17.238 -6.331 7.485 1.00 1.40 H new ATOM 0 HD22 LEU A 79 18.034 -6.889 8.976 1.00 1.40 H new ATOM 0 HD23 LEU A 79 16.800 -5.608 9.051 1.00 1.40 H new ATOM 1284 N LEU A 80 19.084 -2.010 11.899 1.00 0.18 N ATOM 1285 CA LEU A 80 19.528 -1.585 13.266 1.00 0.26 C ATOM 1286 C LEU A 80 19.125 -2.652 14.298 1.00 0.40 C ATOM 1287 O LEU A 80 17.961 -2.902 14.510 1.00 0.53 O ATOM 1288 CB LEU A 80 18.841 -0.257 13.613 1.00 0.30 C ATOM 1289 CG LEU A 80 19.659 0.517 14.652 1.00 1.09 C ATOM 1290 CD1 LEU A 80 18.714 1.365 15.507 1.00 1.96 C ATOM 1291 CD2 LEU A 80 20.416 -0.459 15.553 1.00 1.42 C ATOM 0 H LEU A 80 18.112 -1.794 11.676 1.00 0.18 H new ATOM 0 HA LEU A 80 20.611 -1.464 13.282 1.00 0.26 H new ATOM 0 HB2 LEU A 80 18.725 0.345 12.712 1.00 0.30 H new ATOM 0 HB3 LEU A 80 17.840 -0.449 14.000 1.00 0.30 H new ATOM 0 HG LEU A 80 20.375 1.160 14.140 1.00 1.09 H new ATOM 0 HD11 LEU A 80 19.291 1.918 16.248 1.00 1.96 H new ATOM 0 HD12 LEU A 80 18.177 2.066 14.869 1.00 1.96 H new ATOM 0 HD13 LEU A 80 18.000 0.715 16.014 1.00 1.96 H new ATOM 0 HD21 LEU A 80 20.995 0.099 16.289 1.00 1.42 H new ATOM 0 HD22 LEU A 80 19.705 -1.107 16.066 1.00 1.42 H new ATOM 0 HD23 LEU A 80 21.088 -1.067 14.947 1.00 1.42 H new ATOM 1303 N LEU A 81 20.074 -3.281 14.947 1.00 0.40 N ATOM 1304 CA LEU A 81 19.737 -4.314 15.956 1.00 0.54 C ATOM 1305 C LEU A 81 20.290 -3.922 17.301 1.00 0.55 C ATOM 1306 O LEU A 81 21.414 -3.475 17.410 1.00 0.56 O ATOM 1307 CB LEU A 81 20.411 -5.646 15.617 1.00 0.60 C ATOM 1308 CG LEU A 81 19.353 -6.717 15.358 1.00 0.80 C ATOM 1309 CD1 LEU A 81 20.036 -8.069 15.148 1.00 0.86 C ATOM 1310 CD2 LEU A 81 18.416 -6.804 16.566 1.00 0.91 C ATOM 0 H LEU A 81 21.072 -3.117 14.815 1.00 0.40 H new ATOM 0 HA LEU A 81 18.651 -4.405 15.965 1.00 0.54 H new ATOM 0 HB2 LEU A 81 21.044 -5.529 14.738 1.00 0.60 H new ATOM 0 HB3 LEU A 81 21.059 -5.954 16.438 1.00 0.60 H new ATOM 0 HG LEU A 81 18.781 -6.457 14.467 1.00 0.80 H new ATOM 0 HD11 LEU A 81 19.281 -8.833 14.963 1.00 0.86 H new ATOM 0 HD12 LEU A 81 20.708 -8.008 14.292 1.00 0.86 H new ATOM 0 HD13 LEU A 81 20.607 -8.331 16.039 1.00 0.86 H new ATOM 0 HD21 LEU A 81 17.659 -7.567 16.385 1.00 0.91 H new ATOM 0 HD22 LEU A 81 18.991 -7.066 17.454 1.00 0.91 H new ATOM 0 HD23 LEU A 81 17.930 -5.841 16.720 1.00 0.91 H new ATOM 1322 N HIS A 82 19.572 -4.196 18.333 1.00 0.57 N ATOM 1323 CA HIS A 82 20.166 -3.956 19.664 1.00 0.61 C ATOM 1324 C HIS A 82 21.439 -4.783 19.584 1.00 0.60 C ATOM 1325 O HIS A 82 21.421 -5.878 19.057 1.00 0.59 O ATOM 1326 CB HIS A 82 19.243 -4.463 20.781 1.00 0.72 C ATOM 1327 CG HIS A 82 18.454 -3.309 21.340 1.00 0.76 C ATOM 1328 ND1 HIS A 82 18.817 -2.661 22.510 1.00 2.79 N ATOM 1329 CD2 HIS A 82 17.323 -2.669 20.894 1.00 1.37 C ATOM 1330 CE1 HIS A 82 17.923 -1.677 22.725 1.00 2.22 C ATOM 1331 NE2 HIS A 82 16.992 -1.639 21.769 1.00 0.57 N ATOM 0 H HIS A 82 18.622 -4.567 18.322 1.00 0.57 H new ATOM 0 HA HIS A 82 20.334 -2.904 19.893 1.00 0.61 H new ATOM 0 HB2 HIS A 82 18.568 -5.225 20.392 1.00 0.72 H new ATOM 0 HB3 HIS A 82 19.832 -4.931 21.570 1.00 0.72 H new ATOM 0 HD2 HIS A 82 16.774 -2.926 20.000 1.00 1.37 H new ATOM 0 HE1 HIS A 82 17.955 -1.002 23.567 1.00 2.22 H new ATOM 0 HE2 HIS A 82 16.206 -0.993 21.696 1.00 0.57 H new ATOM 1339 N LYS A 83 22.553 -4.273 19.973 1.00 0.61 N ATOM 1340 CA LYS A 83 23.791 -5.061 19.753 1.00 0.62 C ATOM 1341 C LYS A 83 23.747 -6.424 20.445 1.00 0.69 C ATOM 1342 O LYS A 83 24.211 -7.405 19.897 1.00 0.68 O ATOM 1343 CB LYS A 83 24.997 -4.287 20.264 1.00 0.70 C ATOM 1344 CG LYS A 83 26.254 -5.117 20.010 1.00 0.52 C ATOM 1345 CD LYS A 83 26.627 -5.887 21.281 1.00 0.70 C ATOM 1346 CE LYS A 83 27.937 -5.337 21.847 1.00 0.63 C ATOM 1347 NZ LYS A 83 27.648 -4.470 23.025 1.00 2.08 N ATOM 0 H LYS A 83 22.670 -3.366 20.425 1.00 0.61 H new ATOM 0 HA LYS A 83 23.872 -5.231 18.679 1.00 0.62 H new ATOM 0 HB2 LYS A 83 25.071 -3.325 19.758 1.00 0.70 H new ATOM 0 HB3 LYS A 83 24.890 -4.080 21.329 1.00 0.70 H new ATOM 0 HG2 LYS A 83 26.083 -5.813 19.188 1.00 0.52 H new ATOM 0 HG3 LYS A 83 27.077 -4.467 19.712 1.00 0.52 H new ATOM 0 HD2 LYS A 83 25.832 -5.795 22.021 1.00 0.70 H new ATOM 0 HD3 LYS A 83 26.733 -6.949 21.058 1.00 0.70 H new ATOM 0 HE2 LYS A 83 28.592 -6.158 22.139 1.00 0.63 H new ATOM 0 HE3 LYS A 83 28.464 -4.766 21.083 1.00 0.63 H new ATOM 0 HZ1 LYS A 83 28.540 -4.097 23.409 1.00 2.08 H new ATOM 0 HZ2 LYS A 83 27.039 -3.679 22.733 1.00 2.08 H new ATOM 0 HZ3 LYS A 83 27.163 -5.028 23.756 1.00 2.08 H new ATOM 1361 N HIS A 84 23.218 -6.522 21.626 1.00 0.79 N ATOM 1362 CA HIS A 84 23.194 -7.859 22.280 1.00 0.91 C ATOM 1363 C HIS A 84 22.453 -8.824 21.353 1.00 0.85 C ATOM 1364 O HIS A 84 22.725 -10.007 21.310 1.00 0.89 O ATOM 1365 CB HIS A 84 22.472 -7.762 23.624 1.00 1.06 C ATOM 1366 CG HIS A 84 23.359 -7.061 24.618 1.00 1.71 C ATOM 1367 ND1 HIS A 84 24.638 -7.508 24.910 1.00 3.07 N ATOM 1368 CD2 HIS A 84 23.164 -5.947 25.396 1.00 2.75 C ATOM 1369 CE1 HIS A 84 25.158 -6.674 25.829 1.00 3.20 C ATOM 1370 NE2 HIS A 84 24.301 -5.704 26.159 1.00 3.01 N ATOM 0 H HIS A 84 22.809 -5.755 22.160 1.00 0.79 H new ATOM 0 HA HIS A 84 24.208 -8.216 22.459 1.00 0.91 H new ATOM 0 HB2 HIS A 84 21.535 -7.217 23.508 1.00 1.06 H new ATOM 0 HB3 HIS A 84 22.218 -8.758 23.986 1.00 1.06 H new ATOM 0 HD2 HIS A 84 22.264 -5.350 25.413 1.00 2.75 H new ATOM 0 HE1 HIS A 84 26.148 -6.776 26.249 1.00 3.20 H new ATOM 0 HE2 HIS A 84 24.449 -4.948 26.827 1.00 3.01 H new ATOM 1378 N GLU A 85 21.521 -8.306 20.604 1.00 0.78 N ATOM 1379 CA GLU A 85 20.736 -9.145 19.654 1.00 0.78 C ATOM 1380 C GLU A 85 21.583 -9.542 18.436 1.00 0.65 C ATOM 1381 O GLU A 85 21.398 -10.592 17.855 1.00 0.65 O ATOM 1382 CB GLU A 85 19.536 -8.337 19.156 1.00 0.78 C ATOM 1383 CG GLU A 85 18.354 -8.524 20.113 1.00 0.61 C ATOM 1384 CD GLU A 85 18.579 -7.697 21.380 1.00 2.09 C ATOM 1385 OE1 GLU A 85 19.491 -8.024 22.124 1.00 2.97 O ATOM 1386 OE2 GLU A 85 17.836 -6.752 21.588 1.00 2.89 O ATOM 0 H GLU A 85 21.265 -7.319 20.610 1.00 0.78 H new ATOM 0 HA GLU A 85 20.418 -10.047 20.176 1.00 0.78 H new ATOM 0 HB2 GLU A 85 19.799 -7.281 19.089 1.00 0.78 H new ATOM 0 HB3 GLU A 85 19.259 -8.660 18.153 1.00 0.78 H new ATOM 0 HG2 GLU A 85 17.428 -8.217 19.627 1.00 0.61 H new ATOM 0 HG3 GLU A 85 18.245 -9.578 20.370 1.00 0.61 H new ATOM 1393 N LEU A 86 22.452 -8.672 18.003 1.00 0.55 N ATOM 1394 CA LEU A 86 23.253 -8.945 16.772 1.00 0.46 C ATOM 1395 C LEU A 86 24.245 -10.108 16.932 1.00 0.36 C ATOM 1396 O LEU A 86 24.349 -10.951 16.066 1.00 0.40 O ATOM 1397 CB LEU A 86 24.035 -7.675 16.432 1.00 0.42 C ATOM 1398 CG LEU A 86 24.875 -7.911 15.180 1.00 0.38 C ATOM 1399 CD1 LEU A 86 24.902 -6.632 14.344 1.00 1.66 C ATOM 1400 CD2 LEU A 86 26.300 -8.287 15.589 1.00 1.07 C ATOM 0 H LEU A 86 22.645 -7.776 18.451 1.00 0.55 H new ATOM 0 HA LEU A 86 22.559 -9.232 15.982 1.00 0.46 H new ATOM 0 HB2 LEU A 86 23.347 -6.845 16.270 1.00 0.42 H new ATOM 0 HB3 LEU A 86 24.678 -7.397 17.267 1.00 0.42 H new ATOM 0 HG LEU A 86 24.442 -8.721 14.593 1.00 0.38 H new ATOM 0 HD11 LEU A 86 25.501 -6.795 13.448 1.00 1.66 H new ATOM 0 HD12 LEU A 86 23.885 -6.364 14.057 1.00 1.66 H new ATOM 0 HD13 LEU A 86 25.339 -5.823 14.930 1.00 1.66 H new ATOM 0 HD21 LEU A 86 26.902 -8.456 14.696 1.00 1.07 H new ATOM 0 HD22 LEU A 86 26.737 -7.477 16.173 1.00 1.07 H new ATOM 0 HD23 LEU A 86 26.278 -9.196 16.190 1.00 1.07 H new ATOM 1412 N ARG A 87 25.011 -10.143 17.979 1.00 0.32 N ATOM 1413 CA ARG A 87 26.028 -11.233 18.116 1.00 0.35 C ATOM 1414 C ARG A 87 25.422 -12.609 18.455 1.00 0.36 C ATOM 1415 O ARG A 87 25.982 -13.626 18.098 1.00 0.41 O ATOM 1416 CB ARG A 87 27.015 -10.850 19.220 1.00 0.52 C ATOM 1417 CG ARG A 87 28.290 -11.685 19.080 1.00 0.75 C ATOM 1418 CD ARG A 87 29.254 -11.345 20.220 1.00 0.34 C ATOM 1419 NE ARG A 87 29.241 -12.437 21.235 1.00 1.32 N ATOM 1420 CZ ARG A 87 29.650 -13.635 20.911 1.00 0.76 C ATOM 1421 NH1 ARG A 87 30.710 -13.781 20.164 1.00 0.92 N ATOM 1422 NH2 ARG A 87 28.997 -14.686 21.329 1.00 1.47 N ATOM 0 H ARG A 87 24.984 -9.472 18.746 1.00 0.32 H new ATOM 0 HA ARG A 87 26.515 -11.331 17.146 1.00 0.35 H new ATOM 0 HB2 ARG A 87 27.254 -9.789 19.156 1.00 0.52 H new ATOM 0 HB3 ARG A 87 26.565 -11.017 20.198 1.00 0.52 H new ATOM 0 HG2 ARG A 87 28.046 -12.747 19.101 1.00 0.75 H new ATOM 0 HG3 ARG A 87 28.763 -11.486 18.118 1.00 0.75 H new ATOM 0 HD2 ARG A 87 30.262 -11.212 19.828 1.00 0.34 H new ATOM 0 HD3 ARG A 87 28.965 -10.402 20.684 1.00 0.34 H new ATOM 0 HE ARG A 87 28.913 -12.249 22.182 1.00 1.32 H new ATOM 0 HH11 ARG A 87 31.218 -12.961 19.834 1.00 0.92 H new ATOM 0 HH12 ARG A 87 31.030 -14.716 19.910 1.00 0.92 H new ATOM 0 HH21 ARG A 87 28.166 -14.573 21.910 1.00 1.47 H new ATOM 0 HH22 ARG A 87 29.318 -15.620 21.075 1.00 1.47 H new ATOM 1436 N ARG A 88 24.349 -12.678 19.192 1.00 0.42 N ATOM 1437 CA ARG A 88 23.817 -14.028 19.589 1.00 0.53 C ATOM 1438 C ARG A 88 23.121 -14.783 18.438 1.00 0.40 C ATOM 1439 O ARG A 88 23.378 -15.951 18.227 1.00 0.39 O ATOM 1440 CB ARG A 88 22.832 -13.853 20.741 1.00 0.79 C ATOM 1441 CG ARG A 88 23.292 -14.698 21.930 1.00 1.85 C ATOM 1442 CD ARG A 88 22.806 -14.060 23.229 1.00 1.64 C ATOM 1443 NE ARG A 88 22.154 -15.096 24.078 1.00 1.63 N ATOM 1444 CZ ARG A 88 20.920 -15.453 23.843 1.00 1.25 C ATOM 1445 NH1 ARG A 88 19.950 -14.598 24.018 1.00 2.45 N ATOM 1446 NH2 ARG A 88 20.658 -16.664 23.435 1.00 1.94 N ATOM 0 H ARG A 88 23.819 -11.877 19.536 1.00 0.42 H new ATOM 0 HA ARG A 88 24.675 -14.632 19.884 1.00 0.53 H new ATOM 0 HB2 ARG A 88 22.772 -12.803 21.027 1.00 0.79 H new ATOM 0 HB3 ARG A 88 21.832 -14.156 20.430 1.00 0.79 H new ATOM 0 HG2 ARG A 88 22.901 -15.712 21.842 1.00 1.85 H new ATOM 0 HG3 ARG A 88 24.379 -14.775 21.935 1.00 1.85 H new ATOM 0 HD2 ARG A 88 23.644 -13.612 23.763 1.00 1.64 H new ATOM 0 HD3 ARG A 88 22.102 -13.257 23.011 1.00 1.64 H new ATOM 0 HE ARG A 88 22.672 -15.527 24.844 1.00 1.63 H new ATOM 0 HH11 ARG A 88 20.156 -13.652 24.338 1.00 2.45 H new ATOM 0 HH12 ARG A 88 18.986 -14.876 23.835 1.00 2.45 H new ATOM 0 HH21 ARG A 88 21.417 -17.332 23.300 1.00 1.94 H new ATOM 0 HH22 ARG A 88 19.694 -16.943 23.251 1.00 1.94 H new ATOM 1460 N LEU A 89 22.234 -14.160 17.710 1.00 0.43 N ATOM 1461 CA LEU A 89 21.531 -14.898 16.606 1.00 0.52 C ATOM 1462 C LEU A 89 22.495 -15.138 15.445 1.00 0.43 C ATOM 1463 O LEU A 89 22.584 -16.219 14.898 1.00 0.46 O ATOM 1464 CB LEU A 89 20.345 -14.040 16.139 1.00 0.75 C ATOM 1465 CG LEU A 89 20.025 -14.244 14.643 1.00 0.97 C ATOM 1466 CD1 LEU A 89 21.055 -13.549 13.760 1.00 0.92 C ATOM 1467 CD2 LEU A 89 20.010 -15.725 14.301 1.00 1.06 C ATOM 0 H LEU A 89 21.964 -13.183 17.825 1.00 0.43 H new ATOM 0 HA LEU A 89 21.177 -15.865 16.963 1.00 0.52 H new ATOM 0 HB2 LEU A 89 19.465 -14.287 16.733 1.00 0.75 H new ATOM 0 HB3 LEU A 89 20.567 -12.988 16.320 1.00 0.75 H new ATOM 0 HG LEU A 89 19.043 -13.810 14.457 1.00 0.97 H new ATOM 0 HD11 LEU A 89 20.804 -13.710 12.712 1.00 0.92 H new ATOM 0 HD12 LEU A 89 21.055 -12.480 13.973 1.00 0.92 H new ATOM 0 HD13 LEU A 89 22.044 -13.959 13.963 1.00 0.92 H new ATOM 0 HD21 LEU A 89 19.783 -15.852 13.242 1.00 1.06 H new ATOM 0 HD22 LEU A 89 20.987 -16.158 14.517 1.00 1.06 H new ATOM 0 HD23 LEU A 89 19.250 -16.229 14.898 1.00 1.06 H new ATOM 1479 N LEU A 90 23.211 -14.125 15.070 1.00 0.45 N ATOM 1480 CA LEU A 90 24.169 -14.237 13.942 1.00 0.58 C ATOM 1481 C LEU A 90 25.325 -15.144 14.368 1.00 0.53 C ATOM 1482 O LEU A 90 25.918 -15.839 13.576 1.00 0.60 O ATOM 1483 CB LEU A 90 24.652 -12.819 13.584 1.00 0.69 C ATOM 1484 CG LEU A 90 26.016 -12.853 12.886 1.00 0.69 C ATOM 1485 CD1 LEU A 90 27.119 -13.078 13.923 1.00 0.75 C ATOM 1486 CD2 LEU A 90 26.055 -13.970 11.845 1.00 0.56 C ATOM 0 H LEU A 90 23.173 -13.204 15.506 1.00 0.45 H new ATOM 0 HA LEU A 90 23.705 -14.678 13.060 1.00 0.58 H new ATOM 0 HB2 LEU A 90 23.921 -12.337 12.935 1.00 0.69 H new ATOM 0 HB3 LEU A 90 24.720 -12.216 14.490 1.00 0.69 H new ATOM 0 HG LEU A 90 26.176 -11.899 12.383 1.00 0.69 H new ATOM 0 HD11 LEU A 90 28.088 -13.102 13.424 1.00 0.75 H new ATOM 0 HD12 LEU A 90 27.105 -12.267 14.651 1.00 0.75 H new ATOM 0 HD13 LEU A 90 26.950 -14.026 14.434 1.00 0.75 H new ATOM 0 HD21 LEU A 90 27.030 -13.980 11.359 1.00 0.56 H new ATOM 0 HD22 LEU A 90 25.883 -14.929 12.334 1.00 0.56 H new ATOM 0 HD23 LEU A 90 25.279 -13.799 11.099 1.00 0.56 H new ATOM 1498 N GLY A 91 25.661 -15.127 15.620 1.00 0.45 N ATOM 1499 CA GLY A 91 26.800 -15.955 16.097 1.00 0.52 C ATOM 1500 C GLY A 91 26.606 -17.452 15.781 1.00 0.45 C ATOM 1501 O GLY A 91 27.566 -18.197 15.799 1.00 0.55 O ATOM 0 H GLY A 91 25.196 -14.574 16.340 1.00 0.45 H new ATOM 0 HA2 GLY A 91 27.721 -15.604 15.632 1.00 0.52 H new ATOM 0 HA3 GLY A 91 26.916 -15.825 17.173 1.00 0.52 H new ATOM 1505 N LYS A 92 25.412 -17.933 15.506 1.00 0.28 N ATOM 1506 CA LYS A 92 25.295 -19.395 15.228 1.00 0.23 C ATOM 1507 C LYS A 92 25.587 -19.703 13.749 1.00 0.21 C ATOM 1508 O LYS A 92 26.136 -20.738 13.428 1.00 0.24 O ATOM 1509 CB LYS A 92 23.890 -19.873 15.588 1.00 0.15 C ATOM 1510 CG LYS A 92 23.863 -20.284 17.063 1.00 0.29 C ATOM 1511 CD LYS A 92 23.601 -21.789 17.170 1.00 0.43 C ATOM 1512 CE LYS A 92 24.509 -22.391 18.245 1.00 0.79 C ATOM 1513 NZ LYS A 92 24.973 -23.738 17.809 1.00 1.24 N ATOM 0 H LYS A 92 24.546 -17.396 15.464 1.00 0.28 H new ATOM 0 HA LYS A 92 26.031 -19.921 15.836 1.00 0.23 H new ATOM 0 HB2 LYS A 92 23.165 -19.080 15.405 1.00 0.15 H new ATOM 0 HB3 LYS A 92 23.606 -20.716 14.958 1.00 0.15 H new ATOM 0 HG2 LYS A 92 24.812 -20.035 17.538 1.00 0.29 H new ATOM 0 HG3 LYS A 92 23.087 -19.731 17.591 1.00 0.29 H new ATOM 0 HD2 LYS A 92 22.555 -21.970 17.419 1.00 0.43 H new ATOM 0 HD3 LYS A 92 23.788 -22.270 16.210 1.00 0.43 H new ATOM 0 HE2 LYS A 92 25.365 -21.739 18.419 1.00 0.79 H new ATOM 0 HE3 LYS A 92 23.970 -22.469 19.189 1.00 0.79 H new ATOM 0 HZ1 LYS A 92 25.590 -24.146 18.540 1.00 1.24 H new ATOM 0 HZ2 LYS A 92 24.151 -24.358 17.664 1.00 1.24 H new ATOM 0 HZ3 LYS A 92 25.503 -23.651 16.918 1.00 1.24 H new ATOM 1527 N VAL A 93 25.215 -18.837 12.844 1.00 0.21 N ATOM 1528 CA VAL A 93 25.464 -19.120 11.400 1.00 0.26 C ATOM 1529 C VAL A 93 26.959 -19.242 11.095 1.00 0.37 C ATOM 1530 O VAL A 93 27.369 -19.843 10.121 1.00 0.51 O ATOM 1531 CB VAL A 93 24.918 -17.977 10.561 1.00 0.36 C ATOM 1532 CG1 VAL A 93 23.428 -18.166 10.357 1.00 0.35 C ATOM 1533 CG2 VAL A 93 25.173 -16.651 11.268 1.00 0.49 C ATOM 0 H VAL A 93 24.752 -17.950 13.041 1.00 0.21 H new ATOM 0 HA VAL A 93 24.971 -20.063 11.164 1.00 0.26 H new ATOM 0 HB VAL A 93 25.419 -17.969 9.593 1.00 0.36 H new ATOM 0 HG11 VAL A 93 23.036 -17.346 9.755 1.00 0.35 H new ATOM 0 HG12 VAL A 93 23.248 -19.111 9.844 1.00 0.35 H new ATOM 0 HG13 VAL A 93 22.927 -18.177 11.325 1.00 0.35 H new ATOM 0 HG21 VAL A 93 24.780 -15.834 10.663 1.00 0.49 H new ATOM 0 HG22 VAL A 93 24.677 -16.655 12.238 1.00 0.49 H new ATOM 0 HG23 VAL A 93 26.245 -16.514 11.409 1.00 0.49 H new ATOM 1543 N GLU A 94 27.765 -18.632 11.887 1.00 0.36 N ATOM 1544 CA GLU A 94 29.236 -18.648 11.639 1.00 0.52 C ATOM 1545 C GLU A 94 29.793 -20.080 11.539 1.00 0.64 C ATOM 1546 O GLU A 94 30.926 -20.266 11.141 1.00 0.79 O ATOM 1547 CB GLU A 94 29.945 -17.904 12.774 1.00 0.51 C ATOM 1548 CG GLU A 94 30.401 -18.900 13.840 1.00 1.88 C ATOM 1549 CD GLU A 94 30.528 -18.180 15.185 1.00 2.36 C ATOM 1550 OE1 GLU A 94 29.751 -17.269 15.420 1.00 2.01 O ATOM 1551 OE2 GLU A 94 31.401 -18.547 15.952 1.00 3.20 O ATOM 0 H GLU A 94 27.476 -18.110 12.714 1.00 0.36 H new ATOM 0 HA GLU A 94 29.419 -18.156 10.683 1.00 0.52 H new ATOM 0 HB2 GLU A 94 30.803 -17.358 12.383 1.00 0.51 H new ATOM 0 HB3 GLU A 94 29.273 -17.168 13.215 1.00 0.51 H new ATOM 0 HG2 GLU A 94 29.685 -19.718 13.919 1.00 1.88 H new ATOM 0 HG3 GLU A 94 31.358 -19.339 13.558 1.00 1.88 H new ATOM 1558 N GLN A 95 29.054 -21.094 11.912 1.00 0.63 N ATOM 1559 CA GLN A 95 29.634 -22.468 11.834 1.00 0.86 C ATOM 1560 C GLN A 95 28.744 -23.440 11.039 1.00 1.22 C ATOM 1561 O GLN A 95 27.543 -23.488 11.203 1.00 3.60 O ATOM 1562 CB GLN A 95 29.827 -23.015 13.248 1.00 1.96 C ATOM 1563 CG GLN A 95 31.015 -23.978 13.259 1.00 3.07 C ATOM 1564 CD GLN A 95 31.086 -24.698 14.606 1.00 3.99 C ATOM 1565 OE1 GLN A 95 32.136 -24.773 15.213 1.00 4.96 O ATOM 1566 NE2 GLN A 95 30.006 -25.236 15.104 1.00 4.24 N ATOM 0 H GLN A 95 28.097 -21.034 12.259 1.00 0.63 H new ATOM 0 HA GLN A 95 30.587 -22.389 11.311 1.00 0.86 H new ATOM 0 HB2 GLN A 95 30.001 -22.196 13.946 1.00 1.96 H new ATOM 0 HB3 GLN A 95 28.924 -23.529 13.578 1.00 1.96 H new ATOM 0 HG2 GLN A 95 30.913 -24.705 12.453 1.00 3.07 H new ATOM 0 HG3 GLN A 95 31.940 -23.430 13.080 1.00 3.07 H new ATOM 0 HE21 GLN A 95 29.124 -25.174 14.595 1.00 4.24 H new ATOM 0 HE22 GLN A 95 30.044 -25.719 16.002 1.00 4.24 H new ATOM 1575 N LYS A 96 29.363 -24.245 10.207 1.00 0.76 N ATOM 1576 CA LYS A 96 28.620 -25.276 9.408 1.00 1.77 C ATOM 1577 C LYS A 96 27.888 -24.667 8.206 1.00 0.80 C ATOM 1578 O LYS A 96 26.750 -24.995 7.937 1.00 1.19 O ATOM 1579 CB LYS A 96 27.612 -26.004 10.295 1.00 3.30 C ATOM 1580 CG LYS A 96 27.467 -27.446 9.799 1.00 4.74 C ATOM 1581 CD LYS A 96 27.521 -28.409 10.985 1.00 6.10 C ATOM 1582 CE LYS A 96 26.115 -28.588 11.557 1.00 8.51 C ATOM 1583 NZ LYS A 96 25.309 -29.436 10.633 1.00 9.98 N ATOM 0 H LYS A 96 30.370 -24.231 10.045 1.00 0.76 H new ATOM 0 HA LYS A 96 29.362 -25.978 9.028 1.00 1.77 H new ATOM 0 HB2 LYS A 96 27.946 -25.994 11.332 1.00 3.30 H new ATOM 0 HB3 LYS A 96 26.648 -25.496 10.266 1.00 3.30 H new ATOM 0 HG2 LYS A 96 26.524 -27.564 9.266 1.00 4.74 H new ATOM 0 HG3 LYS A 96 28.264 -27.679 9.093 1.00 4.74 H new ATOM 0 HD2 LYS A 96 27.922 -29.372 10.668 1.00 6.10 H new ATOM 0 HD3 LYS A 96 28.191 -28.021 11.752 1.00 6.10 H new ATOM 0 HE2 LYS A 96 26.167 -29.052 12.542 1.00 8.51 H new ATOM 0 HE3 LYS A 96 25.637 -27.617 11.687 1.00 8.51 H new ATOM 0 HZ1 LYS A 96 24.549 -29.905 11.166 1.00 9.98 H new ATOM 0 HZ2 LYS A 96 24.893 -28.840 9.889 1.00 9.98 H new ATOM 0 HZ3 LYS A 96 25.922 -30.155 10.198 1.00 9.98 H new ATOM 1597 N GLY A 97 28.533 -23.823 7.457 1.00 0.60 N ATOM 1598 CA GLY A 97 27.870 -23.238 6.252 1.00 0.87 C ATOM 1599 C GLY A 97 26.435 -22.801 6.574 1.00 0.58 C ATOM 1600 O GLY A 97 25.483 -23.285 5.995 1.00 0.66 O ATOM 0 H GLY A 97 29.490 -23.510 7.622 1.00 0.60 H new ATOM 0 HA2 GLY A 97 28.444 -22.382 5.896 1.00 0.87 H new ATOM 0 HA3 GLY A 97 27.859 -23.972 5.446 1.00 0.87 H new ATOM 1604 N LEU A 98 26.277 -21.873 7.474 1.00 0.41 N ATOM 1605 CA LEU A 98 24.911 -21.371 7.820 1.00 0.17 C ATOM 1606 C LEU A 98 24.749 -19.978 7.214 1.00 0.18 C ATOM 1607 O LEU A 98 25.721 -19.280 7.012 1.00 0.31 O ATOM 1608 CB LEU A 98 24.774 -21.224 9.328 1.00 0.25 C ATOM 1609 CG LEU A 98 24.324 -22.524 9.970 1.00 0.22 C ATOM 1610 CD1 LEU A 98 24.992 -23.702 9.265 1.00 0.21 C ATOM 1611 CD2 LEU A 98 24.731 -22.527 11.445 1.00 0.23 C ATOM 0 H LEU A 98 27.039 -21.435 7.991 1.00 0.41 H new ATOM 0 HA LEU A 98 24.165 -22.071 7.442 1.00 0.17 H new ATOM 0 HB2 LEU A 98 25.729 -20.917 9.754 1.00 0.25 H new ATOM 0 HB3 LEU A 98 24.056 -20.436 9.555 1.00 0.25 H new ATOM 0 HG LEU A 98 23.241 -22.614 9.884 1.00 0.22 H new ATOM 0 HD11 LEU A 98 24.668 -24.634 9.727 1.00 0.21 H new ATOM 0 HD12 LEU A 98 24.711 -23.702 8.212 1.00 0.21 H new ATOM 0 HD13 LEU A 98 26.075 -23.612 9.352 1.00 0.21 H new ATOM 0 HD21 LEU A 98 24.409 -23.459 11.909 1.00 0.23 H new ATOM 0 HD22 LEU A 98 25.814 -22.437 11.524 1.00 0.23 H new ATOM 0 HD23 LEU A 98 24.259 -21.686 11.954 1.00 0.23 H new ATOM 1623 N THR A 99 23.553 -19.544 6.931 1.00 0.23 N ATOM 1624 CA THR A 99 23.416 -18.173 6.355 1.00 0.33 C ATOM 1625 C THR A 99 22.639 -17.272 7.303 1.00 0.38 C ATOM 1626 O THR A 99 21.988 -17.721 8.223 1.00 0.44 O ATOM 1627 CB THR A 99 22.663 -18.226 5.020 1.00 0.41 C ATOM 1628 OG1 THR A 99 22.021 -19.487 4.890 1.00 0.45 O ATOM 1629 CG2 THR A 99 23.646 -18.032 3.866 1.00 0.54 C ATOM 0 H THR A 99 22.684 -20.061 7.068 1.00 0.23 H new ATOM 0 HA THR A 99 24.419 -17.776 6.202 1.00 0.33 H new ATOM 0 HB THR A 99 21.917 -17.432 4.994 1.00 0.41 H new ATOM 0 HG1 THR A 99 21.054 -19.374 4.999 1.00 0.45 H new ATOM 0 HG21 THR A 99 23.108 -18.070 2.919 1.00 0.54 H new ATOM 0 HG22 THR A 99 24.137 -17.064 3.965 1.00 0.54 H new ATOM 0 HG23 THR A 99 24.395 -18.823 3.889 1.00 0.54 H new ATOM 1637 N LEU A 100 22.644 -15.998 7.030 1.00 0.36 N ATOM 1638 CA LEU A 100 21.853 -15.070 7.848 1.00 0.42 C ATOM 1639 C LEU A 100 21.108 -14.136 6.906 1.00 0.37 C ATOM 1640 O LEU A 100 21.662 -13.425 6.092 1.00 0.28 O ATOM 1641 CB LEU A 100 22.724 -14.243 8.808 1.00 0.46 C ATOM 1642 CG LEU A 100 24.203 -14.239 8.407 1.00 0.37 C ATOM 1643 CD1 LEU A 100 24.346 -13.954 6.922 1.00 0.38 C ATOM 1644 CD2 LEU A 100 24.905 -13.129 9.181 1.00 0.62 C ATOM 0 H LEU A 100 23.169 -15.567 6.269 1.00 0.36 H new ATOM 0 HA LEU A 100 21.166 -15.650 8.464 1.00 0.42 H new ATOM 0 HB2 LEU A 100 22.356 -13.217 8.834 1.00 0.46 H new ATOM 0 HB3 LEU A 100 22.626 -14.643 9.817 1.00 0.46 H new ATOM 0 HG LEU A 100 24.641 -15.212 8.629 1.00 0.37 H new ATOM 0 HD11 LEU A 100 25.402 -13.954 6.651 1.00 0.38 H new ATOM 0 HD12 LEU A 100 23.825 -14.723 6.352 1.00 0.38 H new ATOM 0 HD13 LEU A 100 23.914 -12.979 6.695 1.00 0.38 H new ATOM 0 HD21 LEU A 100 25.961 -13.108 8.910 1.00 0.62 H new ATOM 0 HD22 LEU A 100 24.449 -12.170 8.936 1.00 0.62 H new ATOM 0 HD23 LEU A 100 24.808 -13.314 10.251 1.00 0.62 H new ATOM 1656 N VAL A 101 19.845 -14.136 7.025 1.00 0.42 N ATOM 1657 CA VAL A 101 19.014 -13.268 6.168 1.00 0.34 C ATOM 1658 C VAL A 101 17.794 -12.799 6.964 1.00 0.43 C ATOM 1659 O VAL A 101 17.191 -13.588 7.649 1.00 0.52 O ATOM 1660 CB VAL A 101 18.583 -14.086 4.948 1.00 0.35 C ATOM 1661 CG1 VAL A 101 17.142 -14.565 5.134 1.00 0.96 C ATOM 1662 CG2 VAL A 101 18.675 -13.214 3.694 1.00 0.68 C ATOM 0 H VAL A 101 19.326 -14.709 7.691 1.00 0.42 H new ATOM 0 HA VAL A 101 19.569 -12.389 5.841 1.00 0.34 H new ATOM 0 HB VAL A 101 19.239 -14.950 4.840 1.00 0.35 H new ATOM 0 HG11 VAL A 101 16.837 -15.147 4.264 1.00 0.96 H new ATOM 0 HG12 VAL A 101 17.078 -15.186 6.027 1.00 0.96 H new ATOM 0 HG13 VAL A 101 16.483 -13.703 5.243 1.00 0.96 H new ATOM 0 HG21 VAL A 101 18.369 -13.795 2.824 1.00 0.68 H new ATOM 0 HG22 VAL A 101 18.020 -12.350 3.803 1.00 0.68 H new ATOM 0 HG23 VAL A 101 19.703 -12.876 3.561 1.00 0.68 H new ATOM 1672 N PRO A 102 17.439 -11.546 6.828 1.00 0.43 N ATOM 1673 CA PRO A 102 16.254 -10.995 7.509 1.00 0.51 C ATOM 1674 C PRO A 102 15.034 -11.563 6.773 1.00 0.56 C ATOM 1675 O PRO A 102 14.459 -10.929 5.911 1.00 0.94 O ATOM 1676 CB PRO A 102 16.394 -9.483 7.315 1.00 0.61 C ATOM 1677 CG PRO A 102 17.321 -9.293 6.097 1.00 0.59 C ATOM 1678 CD PRO A 102 18.157 -10.582 5.980 1.00 0.38 C ATOM 0 HA PRO A 102 16.155 -11.236 8.567 1.00 0.51 H new ATOM 0 HB2 PRO A 102 15.422 -9.021 7.141 1.00 0.61 H new ATOM 0 HB3 PRO A 102 16.816 -9.013 8.203 1.00 0.61 H new ATOM 0 HG2 PRO A 102 16.741 -9.123 5.190 1.00 0.59 H new ATOM 0 HG3 PRO A 102 17.965 -8.424 6.231 1.00 0.59 H new ATOM 0 HD2 PRO A 102 18.219 -10.926 4.948 1.00 0.38 H new ATOM 0 HD3 PRO A 102 19.179 -10.428 6.326 1.00 0.38 H new ATOM 1686 N LEU A 103 14.697 -12.792 7.060 1.00 0.56 N ATOM 1687 CA LEU A 103 13.579 -13.468 6.331 1.00 0.58 C ATOM 1688 C LEU A 103 12.436 -12.505 6.074 1.00 0.51 C ATOM 1689 O LEU A 103 11.923 -12.433 4.983 1.00 0.49 O ATOM 1690 CB LEU A 103 13.053 -14.694 7.101 1.00 0.60 C ATOM 1691 CG LEU A 103 14.082 -15.199 8.109 1.00 0.55 C ATOM 1692 CD1 LEU A 103 13.942 -14.422 9.414 1.00 1.17 C ATOM 1693 CD2 LEU A 103 13.838 -16.683 8.377 1.00 2.10 C ATOM 0 H LEU A 103 15.151 -13.363 7.773 1.00 0.56 H new ATOM 0 HA LEU A 103 13.985 -13.807 5.378 1.00 0.58 H new ATOM 0 HB2 LEU A 103 12.131 -14.432 7.620 1.00 0.60 H new ATOM 0 HB3 LEU A 103 12.808 -15.490 6.398 1.00 0.60 H new ATOM 0 HG LEU A 103 15.085 -15.057 7.707 1.00 0.55 H new ATOM 0 HD11 LEU A 103 14.677 -14.783 10.133 1.00 1.17 H new ATOM 0 HD12 LEU A 103 14.109 -13.361 9.226 1.00 1.17 H new ATOM 0 HD13 LEU A 103 12.939 -14.565 9.817 1.00 1.17 H new ATOM 0 HD21 LEU A 103 14.571 -17.048 9.097 1.00 2.10 H new ATOM 0 HD22 LEU A 103 12.834 -16.820 8.780 1.00 2.10 H new ATOM 0 HD23 LEU A 103 13.934 -17.242 7.446 1.00 2.10 H new ATOM 1705 N LYS A 104 12.005 -11.765 7.038 1.00 0.48 N ATOM 1706 CA LYS A 104 10.882 -10.851 6.732 1.00 0.46 C ATOM 1707 C LYS A 104 11.150 -9.457 7.277 1.00 0.42 C ATOM 1708 O LYS A 104 11.302 -9.251 8.466 1.00 0.61 O ATOM 1709 CB LYS A 104 9.604 -11.400 7.365 1.00 0.74 C ATOM 1710 CG LYS A 104 8.691 -11.952 6.269 1.00 0.91 C ATOM 1711 CD LYS A 104 7.258 -11.463 6.500 1.00 0.77 C ATOM 1712 CE LYS A 104 6.707 -12.077 7.790 1.00 0.67 C ATOM 1713 NZ LYS A 104 5.220 -12.142 7.712 1.00 1.43 N ATOM 0 H LYS A 104 12.362 -11.747 7.993 1.00 0.48 H new ATOM 0 HA LYS A 104 10.773 -10.785 5.650 1.00 0.46 H new ATOM 0 HB2 LYS A 104 9.848 -12.185 8.080 1.00 0.74 H new ATOM 0 HB3 LYS A 104 9.092 -10.613 7.918 1.00 0.74 H new ATOM 0 HG2 LYS A 104 9.044 -11.627 5.290 1.00 0.91 H new ATOM 0 HG3 LYS A 104 8.719 -13.042 6.273 1.00 0.91 H new ATOM 0 HD2 LYS A 104 7.241 -10.375 6.567 1.00 0.77 H new ATOM 0 HD3 LYS A 104 6.628 -11.741 5.655 1.00 0.77 H new ATOM 0 HE2 LYS A 104 7.118 -13.076 7.935 1.00 0.67 H new ATOM 0 HE3 LYS A 104 7.011 -11.479 8.649 1.00 0.67 H new ATOM 0 HZ1 LYS A 104 4.844 -12.559 8.588 1.00 1.43 H new ATOM 0 HZ2 LYS A 104 4.836 -11.183 7.593 1.00 1.43 H new ATOM 0 HZ3 LYS A 104 4.940 -12.730 6.901 1.00 1.43 H new ATOM 1727 N ILE A 105 11.155 -8.494 6.409 1.00 0.23 N ATOM 1728 CA ILE A 105 11.351 -7.089 6.852 1.00 0.23 C ATOM 1729 C ILE A 105 10.024 -6.354 6.617 1.00 0.23 C ATOM 1730 O ILE A 105 9.571 -6.249 5.500 1.00 0.35 O ATOM 1731 CB ILE A 105 12.463 -6.420 6.030 1.00 0.32 C ATOM 1732 CG1 ILE A 105 13.828 -6.662 6.687 1.00 0.50 C ATOM 1733 CG2 ILE A 105 12.204 -4.920 5.976 1.00 0.40 C ATOM 1734 CD1 ILE A 105 14.857 -5.658 6.135 1.00 0.67 C ATOM 0 H ILE A 105 11.031 -8.618 5.404 1.00 0.23 H new ATOM 0 HA ILE A 105 11.641 -7.056 7.902 1.00 0.23 H new ATOM 0 HB ILE A 105 12.467 -6.844 5.026 1.00 0.32 H new ATOM 0 HG12 ILE A 105 13.746 -6.555 7.769 1.00 0.50 H new ATOM 0 HG13 ILE A 105 14.160 -7.682 6.492 1.00 0.50 H new ATOM 0 HG21 ILE A 105 12.989 -4.436 5.394 1.00 0.40 H new ATOM 0 HG22 ILE A 105 11.238 -4.734 5.507 1.00 0.40 H new ATOM 0 HG23 ILE A 105 12.200 -4.515 6.988 1.00 0.40 H new ATOM 0 HD11 ILE A 105 15.825 -5.834 6.605 1.00 0.67 H new ATOM 0 HD12 ILE A 105 14.948 -5.786 5.056 1.00 0.67 H new ATOM 0 HD13 ILE A 105 14.527 -4.642 6.353 1.00 0.67 H new ATOM 1746 N TYR A 106 9.391 -5.859 7.648 1.00 0.30 N ATOM 1747 CA TYR A 106 8.091 -5.149 7.457 1.00 0.50 C ATOM 1748 C TYR A 106 8.327 -3.650 7.594 1.00 0.51 C ATOM 1749 O TYR A 106 9.327 -3.229 8.135 1.00 0.57 O ATOM 1750 CB TYR A 106 7.092 -5.611 8.519 1.00 0.70 C ATOM 1751 CG TYR A 106 5.934 -6.297 7.841 1.00 0.91 C ATOM 1752 CD1 TYR A 106 6.094 -7.587 7.324 1.00 0.72 C ATOM 1753 CD2 TYR A 106 4.704 -5.642 7.723 1.00 1.37 C ATOM 1754 CE1 TYR A 106 5.023 -8.223 6.687 1.00 0.94 C ATOM 1755 CE2 TYR A 106 3.631 -6.278 7.089 1.00 1.62 C ATOM 1756 CZ TYR A 106 3.790 -7.569 6.570 1.00 1.39 C ATOM 1757 OH TYR A 106 2.735 -8.196 5.944 1.00 1.64 O ATOM 0 H TYR A 106 9.717 -5.915 8.613 1.00 0.30 H new ATOM 0 HA TYR A 106 7.688 -5.372 6.469 1.00 0.50 H new ATOM 0 HB2 TYR A 106 7.575 -6.293 9.219 1.00 0.70 H new ATOM 0 HB3 TYR A 106 6.737 -4.758 9.098 1.00 0.70 H new ATOM 0 HD1 TYR A 106 7.044 -8.092 7.417 1.00 0.72 H new ATOM 0 HD2 TYR A 106 4.582 -4.645 8.121 1.00 1.37 H new ATOM 0 HE1 TYR A 106 5.147 -9.218 6.286 1.00 0.94 H new ATOM 0 HE2 TYR A 106 2.680 -5.773 7.000 1.00 1.62 H new ATOM 0 HH TYR A 106 1.953 -7.605 5.949 1.00 1.64 H new ATOM 1767 N PHE A 107 7.447 -2.828 7.091 1.00 0.44 N ATOM 1768 CA PHE A 107 7.711 -1.369 7.200 1.00 0.44 C ATOM 1769 C PHE A 107 6.476 -0.586 7.685 1.00 0.32 C ATOM 1770 O PHE A 107 5.359 -0.839 7.281 1.00 0.40 O ATOM 1771 CB PHE A 107 8.190 -0.865 5.824 1.00 0.51 C ATOM 1772 CG PHE A 107 9.629 -1.267 5.689 1.00 0.89 C ATOM 1773 CD1 PHE A 107 10.566 -0.704 6.550 1.00 1.19 C ATOM 1774 CD2 PHE A 107 10.018 -2.221 4.745 1.00 1.68 C ATOM 1775 CE1 PHE A 107 11.911 -1.091 6.473 1.00 1.73 C ATOM 1776 CE2 PHE A 107 11.358 -2.615 4.666 1.00 2.01 C ATOM 1777 CZ PHE A 107 12.307 -2.053 5.533 1.00 1.91 C ATOM 0 H PHE A 107 6.581 -3.094 6.622 1.00 0.44 H new ATOM 0 HA PHE A 107 8.482 -1.200 7.951 1.00 0.44 H new ATOM 0 HB2 PHE A 107 7.591 -1.300 5.024 1.00 0.51 H new ATOM 0 HB3 PHE A 107 8.083 0.217 5.751 1.00 0.51 H new ATOM 0 HD1 PHE A 107 10.257 0.031 7.278 1.00 1.19 H new ATOM 0 HD2 PHE A 107 9.286 -2.653 4.078 1.00 1.68 H new ATOM 0 HE1 PHE A 107 12.640 -0.649 7.136 1.00 1.73 H new ATOM 0 HE2 PHE A 107 11.662 -3.352 3.937 1.00 2.01 H new ATOM 0 HZ PHE A 107 13.341 -2.361 5.476 1.00 1.91 H new ATOM 1787 N ASN A 108 6.699 0.379 8.554 1.00 0.25 N ATOM 1788 CA ASN A 108 5.582 1.222 9.093 1.00 0.30 C ATOM 1789 C ASN A 108 6.013 2.697 9.034 1.00 0.30 C ATOM 1790 O ASN A 108 7.187 3.001 9.038 1.00 0.35 O ATOM 1791 CB ASN A 108 5.298 0.829 10.548 1.00 0.32 C ATOM 1792 CG ASN A 108 3.933 0.142 10.642 1.00 0.40 C ATOM 1793 OD1 ASN A 108 2.927 0.711 10.270 1.00 0.68 O ATOM 1794 ND2 ASN A 108 3.855 -1.065 11.133 1.00 0.35 N ATOM 0 H ASN A 108 7.622 0.619 8.916 1.00 0.25 H new ATOM 0 HA ASN A 108 4.679 1.071 8.501 1.00 0.30 H new ATOM 0 HB2 ASN A 108 6.078 0.160 10.913 1.00 0.32 H new ATOM 0 HB3 ASN A 108 5.314 1.714 11.183 1.00 0.32 H new ATOM 0 HD21 ASN A 108 2.950 -1.529 11.204 1.00 0.35 H new ATOM 0 HD22 ASN A 108 4.700 -1.544 11.446 1.00 0.35 H new ATOM 1801 N GLU A 109 5.080 3.615 8.968 1.00 0.52 N ATOM 1802 CA GLU A 109 5.451 5.066 8.885 1.00 0.55 C ATOM 1803 C GLU A 109 6.016 5.572 10.219 1.00 0.43 C ATOM 1804 O GLU A 109 6.496 6.685 10.311 1.00 0.41 O ATOM 1805 CB GLU A 109 4.215 5.891 8.522 1.00 0.73 C ATOM 1806 CG GLU A 109 4.642 7.322 8.185 1.00 0.84 C ATOM 1807 CD GLU A 109 3.914 8.308 9.101 1.00 1.64 C ATOM 1808 OE1 GLU A 109 2.694 8.291 9.107 1.00 3.06 O ATOM 1809 OE2 GLU A 109 4.588 9.067 9.777 1.00 1.89 O ATOM 0 H GLU A 109 4.078 3.425 8.968 1.00 0.52 H new ATOM 0 HA GLU A 109 6.218 5.176 8.118 1.00 0.55 H new ATOM 0 HB2 GLU A 109 3.702 5.443 7.671 1.00 0.73 H new ATOM 0 HB3 GLU A 109 3.510 5.896 9.353 1.00 0.73 H new ATOM 0 HG2 GLU A 109 5.720 7.428 8.305 1.00 0.84 H new ATOM 0 HG3 GLU A 109 4.414 7.544 7.142 1.00 0.84 H new ATOM 1816 N ARG A 110 5.965 4.781 11.251 1.00 0.39 N ATOM 1817 CA ARG A 110 6.502 5.237 12.568 1.00 0.36 C ATOM 1818 C ARG A 110 8.014 5.007 12.619 1.00 0.24 C ATOM 1819 O ARG A 110 8.598 4.955 13.682 1.00 0.28 O ATOM 1820 CB ARG A 110 5.837 4.441 13.698 1.00 0.46 C ATOM 1821 CG ARG A 110 5.437 5.385 14.837 1.00 0.88 C ATOM 1822 CD ARG A 110 6.596 5.506 15.830 1.00 2.93 C ATOM 1823 NE ARG A 110 6.186 6.364 16.980 1.00 2.48 N ATOM 1824 CZ ARG A 110 5.002 6.915 16.999 1.00 3.08 C ATOM 1825 NH1 ARG A 110 4.805 8.058 16.403 1.00 4.49 N ATOM 1826 NH2 ARG A 110 4.016 6.322 17.617 1.00 3.54 N ATOM 0 H ARG A 110 5.576 3.838 11.243 1.00 0.39 H new ATOM 0 HA ARG A 110 6.289 6.299 12.690 1.00 0.36 H new ATOM 0 HB2 ARG A 110 4.957 3.921 13.319 1.00 0.46 H new ATOM 0 HB3 ARG A 110 6.522 3.679 14.069 1.00 0.46 H new ATOM 0 HG2 ARG A 110 5.182 6.367 14.438 1.00 0.88 H new ATOM 0 HG3 ARG A 110 4.549 5.006 15.343 1.00 0.88 H new ATOM 0 HD2 ARG A 110 6.887 4.518 16.187 1.00 2.93 H new ATOM 0 HD3 ARG A 110 7.467 5.936 15.336 1.00 2.93 H new ATOM 0 HE ARG A 110 6.832 6.521 17.753 1.00 2.48 H new ATOM 0 HH11 ARG A 110 5.576 8.522 15.922 1.00 4.49 H new ATOM 0 HH12 ARG A 110 3.880 8.488 16.418 1.00 4.49 H new ATOM 0 HH21 ARG A 110 4.171 5.429 18.085 1.00 3.54 H new ATOM 0 HH22 ARG A 110 3.091 6.752 17.632 1.00 3.54 H new ATOM 1840 N GLY A 111 8.656 4.833 11.493 1.00 0.19 N ATOM 1841 CA GLY A 111 10.121 4.568 11.529 1.00 0.18 C ATOM 1842 C GLY A 111 10.313 3.239 12.231 1.00 0.23 C ATOM 1843 O GLY A 111 11.309 2.995 12.882 1.00 0.31 O ATOM 0 H GLY A 111 8.235 4.863 10.564 1.00 0.19 H new ATOM 0 HA2 GLY A 111 10.532 4.534 10.520 1.00 0.18 H new ATOM 0 HA3 GLY A 111 10.644 5.364 12.060 1.00 0.18 H new ATOM 1847 N TYR A 112 9.346 2.377 12.100 1.00 0.19 N ATOM 1848 CA TYR A 112 9.439 1.055 12.752 1.00 0.24 C ATOM 1849 C TYR A 112 9.263 -0.040 11.708 1.00 0.24 C ATOM 1850 O TYR A 112 8.181 -0.292 11.216 1.00 0.21 O ATOM 1851 CB TYR A 112 8.341 0.925 13.805 1.00 0.26 C ATOM 1852 CG TYR A 112 8.904 0.270 15.042 1.00 0.70 C ATOM 1853 CD1 TYR A 112 9.839 0.952 15.829 1.00 1.06 C ATOM 1854 CD2 TYR A 112 8.495 -1.021 15.400 1.00 0.87 C ATOM 1855 CE1 TYR A 112 10.366 0.344 16.974 1.00 1.45 C ATOM 1856 CE2 TYR A 112 9.023 -1.628 16.545 1.00 1.26 C ATOM 1857 CZ TYR A 112 9.958 -0.946 17.333 1.00 1.52 C ATOM 1858 OH TYR A 112 10.479 -1.546 18.462 1.00 1.92 O ATOM 0 H TYR A 112 8.492 2.537 11.565 1.00 0.19 H new ATOM 0 HA TYR A 112 10.415 0.956 13.227 1.00 0.24 H new ATOM 0 HB2 TYR A 112 7.941 1.908 14.052 1.00 0.26 H new ATOM 0 HB3 TYR A 112 7.514 0.334 13.412 1.00 0.26 H new ATOM 0 HD1 TYR A 112 10.154 1.947 15.553 1.00 1.06 H new ATOM 0 HD2 TYR A 112 7.773 -1.547 14.793 1.00 0.87 H new ATOM 0 HE1 TYR A 112 11.088 0.870 17.581 1.00 1.45 H new ATOM 0 HE2 TYR A 112 8.709 -2.624 16.821 1.00 1.26 H new ATOM 0 HH TYR A 112 10.089 -2.439 18.567 1.00 1.92 H new ATOM 1868 N ALA A 113 10.325 -0.711 11.406 1.00 0.27 N ATOM 1869 CA ALA A 113 10.277 -1.831 10.436 1.00 0.29 C ATOM 1870 C ALA A 113 10.642 -3.071 11.217 1.00 0.33 C ATOM 1871 O ALA A 113 11.533 -3.038 12.043 1.00 0.35 O ATOM 1872 CB ALA A 113 11.290 -1.627 9.312 1.00 0.28 C ATOM 0 H ALA A 113 11.249 -0.528 11.798 1.00 0.27 H new ATOM 0 HA ALA A 113 9.291 -1.903 9.978 1.00 0.29 H new ATOM 0 HB1 ALA A 113 11.233 -2.463 8.615 1.00 0.28 H new ATOM 0 HB2 ALA A 113 11.067 -0.699 8.785 1.00 0.28 H new ATOM 0 HB3 ALA A 113 12.294 -1.573 9.733 1.00 0.28 H new ATOM 1878 N LYS A 114 9.974 -4.157 11.021 1.00 0.38 N ATOM 1879 CA LYS A 114 10.356 -5.334 11.845 1.00 0.43 C ATOM 1880 C LYS A 114 11.252 -6.273 11.041 1.00 0.36 C ATOM 1881 O LYS A 114 10.943 -6.669 9.942 1.00 0.33 O ATOM 1882 CB LYS A 114 9.089 -6.093 12.261 1.00 0.55 C ATOM 1883 CG LYS A 114 8.109 -5.140 12.951 1.00 1.08 C ATOM 1884 CD LYS A 114 7.899 -5.590 14.402 1.00 0.97 C ATOM 1885 CE LYS A 114 6.473 -5.258 14.847 1.00 1.04 C ATOM 1886 NZ LYS A 114 6.517 -4.481 16.119 1.00 0.69 N ATOM 0 H LYS A 114 9.210 -4.289 10.358 1.00 0.38 H new ATOM 0 HA LYS A 114 10.896 -4.988 12.726 1.00 0.43 H new ATOM 0 HB2 LYS A 114 8.619 -6.539 11.385 1.00 0.55 H new ATOM 0 HB3 LYS A 114 9.349 -6.910 12.934 1.00 0.55 H new ATOM 0 HG2 LYS A 114 8.497 -4.122 12.927 1.00 1.08 H new ATOM 0 HG3 LYS A 114 7.157 -5.132 12.420 1.00 1.08 H new ATOM 0 HD2 LYS A 114 8.077 -6.662 14.489 1.00 0.97 H new ATOM 0 HD3 LYS A 114 8.618 -5.094 15.054 1.00 0.97 H new ATOM 0 HE2 LYS A 114 5.964 -4.682 14.074 1.00 1.04 H new ATOM 0 HE3 LYS A 114 5.902 -6.176 14.989 1.00 1.04 H new ATOM 0 HZ1 LYS A 114 5.548 -4.255 16.422 1.00 0.69 H new ATOM 0 HZ2 LYS A 114 6.987 -5.046 16.855 1.00 0.69 H new ATOM 0 HZ3 LYS A 114 7.047 -3.599 15.969 1.00 0.69 H new ATOM 1900 N VAL A 115 12.364 -6.647 11.603 1.00 0.35 N ATOM 1901 CA VAL A 115 13.281 -7.574 10.882 1.00 0.31 C ATOM 1902 C VAL A 115 13.455 -8.865 11.679 1.00 0.30 C ATOM 1903 O VAL A 115 13.560 -8.859 12.887 1.00 0.55 O ATOM 1904 CB VAL A 115 14.650 -6.918 10.707 1.00 0.30 C ATOM 1905 CG1 VAL A 115 15.292 -7.405 9.405 1.00 1.00 C ATOM 1906 CG2 VAL A 115 14.479 -5.404 10.662 1.00 1.05 C ATOM 0 H VAL A 115 12.679 -6.353 12.528 1.00 0.35 H new ATOM 0 HA VAL A 115 12.849 -7.799 9.907 1.00 0.31 H new ATOM 0 HB VAL A 115 15.294 -7.187 11.544 1.00 0.30 H new ATOM 0 HG11 VAL A 115 16.268 -6.936 9.283 1.00 1.00 H new ATOM 0 HG12 VAL A 115 15.412 -8.488 9.441 1.00 1.00 H new ATOM 0 HG13 VAL A 115 14.653 -7.139 8.563 1.00 1.00 H new ATOM 0 HG21 VAL A 115 15.453 -4.931 10.537 1.00 1.05 H new ATOM 0 HG22 VAL A 115 13.835 -5.135 9.824 1.00 1.05 H new ATOM 0 HG23 VAL A 115 14.026 -5.061 11.592 1.00 1.05 H new ATOM 1916 N LEU A 116 13.515 -9.968 11.000 1.00 0.22 N ATOM 1917 CA LEU A 116 13.719 -11.265 11.691 1.00 0.27 C ATOM 1918 C LEU A 116 14.865 -11.980 10.981 1.00 0.22 C ATOM 1919 O LEU A 116 14.864 -12.090 9.776 1.00 0.22 O ATOM 1920 CB LEU A 116 12.442 -12.114 11.602 1.00 0.41 C ATOM 1921 CG LEU A 116 12.133 -12.720 12.976 1.00 0.51 C ATOM 1922 CD1 LEU A 116 10.788 -13.452 12.932 1.00 1.17 C ATOM 1923 CD2 LEU A 116 13.234 -13.714 13.350 1.00 1.42 C ATOM 0 H LEU A 116 13.431 -10.029 9.985 1.00 0.22 H new ATOM 0 HA LEU A 116 13.951 -11.108 12.744 1.00 0.27 H new ATOM 0 HB2 LEU A 116 11.606 -11.499 11.268 1.00 0.41 H new ATOM 0 HB3 LEU A 116 12.570 -12.906 10.864 1.00 0.41 H new ATOM 0 HG LEU A 116 12.086 -11.922 13.717 1.00 0.51 H new ATOM 0 HD11 LEU A 116 10.575 -13.880 13.911 1.00 1.17 H new ATOM 0 HD12 LEU A 116 10.000 -12.749 12.664 1.00 1.17 H new ATOM 0 HD13 LEU A 116 10.831 -14.249 12.189 1.00 1.17 H new ATOM 0 HD21 LEU A 116 13.017 -14.147 14.327 1.00 1.42 H new ATOM 0 HD22 LEU A 116 13.277 -14.507 12.603 1.00 1.42 H new ATOM 0 HD23 LEU A 116 14.193 -13.198 13.387 1.00 1.42 H new ATOM 1935 N LEU A 117 15.846 -12.459 11.697 1.00 0.22 N ATOM 1936 CA LEU A 117 16.973 -13.158 11.013 1.00 0.16 C ATOM 1937 C LEU A 117 16.738 -14.637 11.101 1.00 0.18 C ATOM 1938 O LEU A 117 16.529 -15.175 12.162 1.00 0.49 O ATOM 1939 CB LEU A 117 18.308 -12.891 11.712 1.00 0.29 C ATOM 1940 CG LEU A 117 19.479 -13.156 10.758 1.00 0.35 C ATOM 1941 CD1 LEU A 117 19.479 -14.632 10.342 1.00 0.39 C ATOM 1942 CD2 LEU A 117 19.354 -12.256 9.524 1.00 0.29 C ATOM 0 H LEU A 117 15.917 -12.398 12.713 1.00 0.22 H new ATOM 0 HA LEU A 117 17.015 -12.796 9.986 1.00 0.16 H new ATOM 0 HB2 LEU A 117 18.342 -11.859 12.060 1.00 0.29 H new ATOM 0 HB3 LEU A 117 18.398 -13.528 12.592 1.00 0.29 H new ATOM 0 HG LEU A 117 20.418 -12.931 11.263 1.00 0.35 H new ATOM 0 HD11 LEU A 117 20.312 -14.819 9.664 1.00 0.39 H new ATOM 0 HD12 LEU A 117 19.584 -15.259 11.227 1.00 0.39 H new ATOM 0 HD13 LEU A 117 18.541 -14.868 9.839 1.00 0.39 H new ATOM 0 HD21 LEU A 117 20.188 -12.447 8.848 1.00 0.29 H new ATOM 0 HD22 LEU A 117 18.416 -12.469 9.012 1.00 0.29 H new ATOM 0 HD23 LEU A 117 19.369 -11.211 9.833 1.00 0.29 H new ATOM 1954 N GLY A 118 16.805 -15.320 10.019 1.00 0.22 N ATOM 1955 CA GLY A 118 16.627 -16.763 10.122 1.00 0.24 C ATOM 1956 C GLY A 118 17.951 -17.407 9.765 1.00 0.26 C ATOM 1957 O GLY A 118 18.367 -17.431 8.624 1.00 0.32 O ATOM 0 H GLY A 118 16.972 -14.949 9.084 1.00 0.22 H new ATOM 0 HA2 GLY A 118 16.324 -17.042 11.131 1.00 0.24 H new ATOM 0 HA3 GLY A 118 15.841 -17.102 9.448 1.00 0.24 H new ATOM 1961 N LEU A 119 18.603 -17.953 10.738 1.00 0.22 N ATOM 1962 CA LEU A 119 19.888 -18.627 10.489 1.00 0.23 C ATOM 1963 C LEU A 119 19.546 -20.040 10.120 1.00 0.28 C ATOM 1964 O LEU A 119 19.015 -20.775 10.908 1.00 0.28 O ATOM 1965 CB LEU A 119 20.731 -18.580 11.769 1.00 0.19 C ATOM 1966 CG LEU A 119 21.302 -19.974 12.143 1.00 0.30 C ATOM 1967 CD1 LEU A 119 22.018 -20.650 10.963 1.00 0.44 C ATOM 1968 CD2 LEU A 119 22.300 -19.804 13.287 1.00 0.25 C ATOM 0 H LEU A 119 18.294 -17.960 11.710 1.00 0.22 H new ATOM 0 HA LEU A 119 20.465 -18.152 9.696 1.00 0.23 H new ATOM 0 HB2 LEU A 119 21.552 -17.876 11.636 1.00 0.19 H new ATOM 0 HB3 LEU A 119 20.121 -18.206 12.591 1.00 0.19 H new ATOM 0 HG LEU A 119 20.465 -20.609 12.433 1.00 0.30 H new ATOM 0 HD11 LEU A 119 22.399 -21.622 11.277 1.00 0.44 H new ATOM 0 HD12 LEU A 119 21.316 -20.784 10.140 1.00 0.44 H new ATOM 0 HD13 LEU A 119 22.848 -20.024 10.634 1.00 0.44 H new ATOM 0 HD21 LEU A 119 22.709 -20.777 13.560 1.00 0.25 H new ATOM 0 HD22 LEU A 119 23.109 -19.146 12.969 1.00 0.25 H new ATOM 0 HD23 LEU A 119 21.795 -19.368 14.149 1.00 0.25 H new ATOM 1980 N ALA A 120 19.837 -20.433 8.933 1.00 0.32 N ATOM 1981 CA ALA A 120 19.499 -21.808 8.542 1.00 0.32 C ATOM 1982 C ALA A 120 20.752 -22.640 8.578 1.00 0.28 C ATOM 1983 O ALA A 120 21.779 -22.254 8.056 1.00 0.29 O ATOM 1984 CB ALA A 120 18.929 -21.813 7.134 1.00 0.32 C ATOM 0 H ALA A 120 20.292 -19.867 8.217 1.00 0.32 H new ATOM 0 HA ALA A 120 18.758 -22.217 9.228 1.00 0.32 H new ATOM 0 HB1 ALA A 120 18.679 -22.834 6.846 1.00 0.32 H new ATOM 0 HB2 ALA A 120 18.030 -21.197 7.103 1.00 0.32 H new ATOM 0 HB3 ALA A 120 19.668 -21.411 6.441 1.00 0.32 H new ATOM 1990 N ARG A 121 20.690 -23.787 9.163 1.00 0.25 N ATOM 1991 CA ARG A 121 21.905 -24.605 9.174 1.00 0.19 C ATOM 1992 C ARG A 121 21.792 -25.580 8.008 1.00 0.17 C ATOM 1993 O ARG A 121 20.974 -26.467 7.997 1.00 0.17 O ATOM 1994 CB ARG A 121 22.040 -25.337 10.511 1.00 0.17 C ATOM 1995 CG ARG A 121 20.767 -25.171 11.350 1.00 0.47 C ATOM 1996 CD ARG A 121 20.914 -26.001 12.628 1.00 0.89 C ATOM 1997 NE ARG A 121 20.143 -27.271 12.492 1.00 1.28 N ATOM 1998 CZ ARG A 121 19.671 -27.862 13.554 1.00 1.79 C ATOM 1999 NH1 ARG A 121 18.864 -27.219 14.354 1.00 2.56 N ATOM 2000 NH2 ARG A 121 20.002 -29.097 13.814 1.00 2.59 N ATOM 0 H ARG A 121 19.871 -24.184 9.623 1.00 0.25 H new ATOM 0 HA ARG A 121 22.799 -23.991 9.063 1.00 0.19 H new ATOM 0 HB2 ARG A 121 22.230 -26.396 10.334 1.00 0.17 H new ATOM 0 HB3 ARG A 121 22.897 -24.947 11.060 1.00 0.17 H new ATOM 0 HG2 ARG A 121 20.610 -24.121 11.597 1.00 0.47 H new ATOM 0 HG3 ARG A 121 19.895 -25.499 10.784 1.00 0.47 H new ATOM 0 HD2 ARG A 121 21.966 -26.220 12.812 1.00 0.89 H new ATOM 0 HD3 ARG A 121 20.552 -25.434 13.486 1.00 0.89 H new ATOM 0 HE ARG A 121 19.985 -27.676 11.569 1.00 1.28 H new ATOM 0 HH11 ARG A 121 18.603 -26.255 14.148 1.00 2.56 H new ATOM 0 HH12 ARG A 121 18.494 -27.681 15.185 1.00 2.56 H new ATOM 0 HH21 ARG A 121 20.630 -29.600 13.187 1.00 2.59 H new ATOM 0 HH22 ARG A 121 19.633 -29.560 14.645 1.00 2.59 H new ATOM 2014 N GLY A 122 22.603 -25.407 7.009 1.00 0.19 N ATOM 2015 CA GLY A 122 22.510 -26.306 5.824 1.00 0.21 C ATOM 2016 C GLY A 122 23.230 -25.648 4.647 1.00 2.55 C ATOM 2017 O GLY A 122 23.680 -26.308 3.731 1.00 3.22 O ATOM 0 H GLY A 122 23.324 -24.687 6.957 1.00 0.19 H new ATOM 0 HA2 GLY A 122 22.960 -27.273 6.048 1.00 0.21 H new ATOM 0 HA3 GLY A 122 21.466 -26.491 5.572 1.00 0.21 H new