USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 981 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 20 ASN : amide:sc= 1.13 K(o=-5.6,f=-1.7) USER MOD Set 1.2: A 24 ASN : amide:sc= -4.79! K(o=-5.6!,f=-0.22) USER MOD Set 1.3: A 30 THR OG1 : rot 87:sc= -0.253 USER MOD Set 1.4: A 32 GLN : amide:sc= -1.7! C(o=-5.6!,f=-1.2!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ 177:sc= 2.41 (180deg=1.43) USER MOD Set 2.2: A 29 GLN : amide:sc= -1.42 K(o=0.98,f=-5.1!) USER MOD Single : A 12 GLN : amide:sc= -1.6! C(o=-1.6!,f=-3.7!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 30:sc= -1.57 USER MOD Single : A 35 ASN : amide:sc= -2.8! C(o=-2.8!,f=-6.4!) USER MOD Single : A 38 GLN : amide:sc= 0.746 K(o=0.75,f=-3.6!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -116:sc= -4.79! (180deg=-7.09!) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.12) USER MOD Single : A 60 MET CE :methyl 158:sc= -2.48! (180deg=-3.53!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -151:sc= -3.37! (180deg=-5.17!) USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 1.04 (180deg=0.997) USER MOD Single : A 75 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.86) USER MOD Single : A 81 MET CE :methyl 145:sc= -2.27 (180deg=-2.9!) USER MOD Single : A 82 THR OG1 : rot -100:sc= -0.349 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 142:sc= -0.251 (180deg=-1.14) USER MOD Single : A 91 GLN : amide:sc= -0.0614 K(o=-0.061,f=-0.77) USER MOD Single : A 93 SER OG : rot 80:sc=-0.00934 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.376 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.994) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= -0.213 (180deg=-0.903) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 6.431 -11.304 -2.128 1.00 0.63 N ATOM 52 CA GLU A 4 6.031 -10.161 -1.337 1.00 0.52 C ATOM 53 C GLU A 4 5.313 -9.170 -2.236 1.00 0.40 C ATOM 54 O GLU A 4 5.940 -8.363 -2.929 1.00 0.47 O ATOM 55 CB GLU A 4 7.228 -9.499 -0.662 1.00 0.62 C ATOM 56 CG GLU A 4 8.325 -10.461 -0.221 1.00 1.08 C ATOM 57 CD GLU A 4 7.846 -11.570 0.694 1.00 1.31 C ATOM 58 OE1 GLU A 4 7.712 -11.315 1.912 1.00 1.51 O ATOM 59 OE2 GLU A 4 7.568 -12.680 0.199 1.00 1.90 O ATOM 0 HA GLU A 4 5.362 -10.498 -0.545 1.00 0.52 H new ATOM 0 HB2 GLU A 4 7.658 -8.770 -1.349 1.00 0.62 H new ATOM 0 HB3 GLU A 4 6.876 -8.947 0.209 1.00 0.62 H new ATOM 0 HG2 GLU A 4 8.780 -10.906 -1.106 1.00 1.08 H new ATOM 0 HG3 GLU A 4 9.105 -9.896 0.289 1.00 1.08 H new ATOM 66 N LYS A 5 3.998 -9.265 -2.248 1.00 0.31 N ATOM 67 CA LYS A 5 3.191 -8.504 -3.179 1.00 0.26 C ATOM 68 C LYS A 5 2.587 -7.275 -2.521 1.00 0.21 C ATOM 69 O LYS A 5 2.340 -7.256 -1.318 1.00 0.21 O ATOM 70 CB LYS A 5 2.089 -9.377 -3.740 1.00 0.29 C ATOM 71 CG LYS A 5 1.546 -8.861 -5.055 1.00 0.34 C ATOM 72 CD LYS A 5 0.036 -8.916 -5.088 1.00 0.39 C ATOM 73 CE LYS A 5 -0.469 -10.347 -5.082 1.00 0.39 C ATOM 74 NZ LYS A 5 -0.193 -11.044 -6.371 1.00 0.56 N ATOM 0 H LYS A 5 3.464 -9.865 -1.620 1.00 0.31 H new ATOM 0 HA LYS A 5 3.842 -8.168 -3.987 1.00 0.26 H new ATOM 0 HB2 LYS A 5 2.469 -10.389 -3.881 1.00 0.29 H new ATOM 0 HB3 LYS A 5 1.277 -9.440 -3.016 1.00 0.29 H new ATOM 0 HG2 LYS A 5 1.878 -7.834 -5.209 1.00 0.34 H new ATOM 0 HG3 LYS A 5 1.951 -9.454 -5.875 1.00 0.34 H new ATOM 0 HD2 LYS A 5 -0.367 -8.383 -4.227 1.00 0.39 H new ATOM 0 HD3 LYS A 5 -0.328 -8.404 -5.979 1.00 0.39 H new ATOM 0 HE2 LYS A 5 0.003 -10.894 -4.266 1.00 0.39 H new ATOM 0 HE3 LYS A 5 -1.542 -10.352 -4.890 1.00 0.39 H new ATOM 0 HZ1 LYS A 5 -0.509 -12.033 -6.305 1.00 0.56 H new ATOM 0 HZ2 LYS A 5 -0.706 -10.567 -7.140 1.00 0.56 H new ATOM 0 HZ3 LYS A 5 0.828 -11.019 -6.568 1.00 0.56 H new ATOM 88 N ILE A 6 2.349 -6.264 -3.338 1.00 0.21 N ATOM 89 CA ILE A 6 1.797 -5.001 -2.891 1.00 0.20 C ATOM 90 C ILE A 6 0.529 -4.660 -3.671 1.00 0.23 C ATOM 91 O ILE A 6 0.535 -4.633 -4.897 1.00 0.40 O ATOM 92 CB ILE A 6 2.832 -3.872 -3.069 1.00 0.20 C ATOM 93 CG1 ILE A 6 4.008 -4.077 -2.105 1.00 0.22 C ATOM 94 CG2 ILE A 6 2.184 -2.510 -2.875 1.00 0.21 C ATOM 95 CD1 ILE A 6 5.083 -3.019 -2.218 1.00 0.27 C ATOM 0 H ILE A 6 2.536 -6.299 -4.340 1.00 0.21 H new ATOM 0 HA ILE A 6 1.546 -5.096 -1.835 1.00 0.20 H new ATOM 0 HB ILE A 6 3.219 -3.907 -4.087 1.00 0.20 H new ATOM 0 HG12 ILE A 6 3.630 -4.089 -1.083 1.00 0.22 H new ATOM 0 HG13 ILE A 6 4.453 -5.055 -2.292 1.00 0.22 H new ATOM 0 HG21 ILE A 6 2.933 -1.729 -3.005 1.00 0.21 H new ATOM 0 HG22 ILE A 6 1.390 -2.377 -3.609 1.00 0.21 H new ATOM 0 HG23 ILE A 6 1.764 -2.446 -1.871 1.00 0.21 H new ATOM 0 HD11 ILE A 6 5.880 -3.232 -1.505 1.00 0.27 H new ATOM 0 HD12 ILE A 6 5.490 -3.021 -3.229 1.00 0.27 H new ATOM 0 HD13 ILE A 6 4.655 -2.040 -2.001 1.00 0.27 H new ATOM 107 N LEU A 7 -0.556 -4.418 -2.956 1.00 0.11 N ATOM 108 CA LEU A 7 -1.816 -4.020 -3.582 1.00 0.11 C ATOM 109 C LEU A 7 -1.923 -2.506 -3.644 1.00 0.14 C ATOM 110 O LEU A 7 -1.485 -1.820 -2.735 1.00 0.29 O ATOM 111 CB LEU A 7 -2.998 -4.608 -2.814 1.00 0.11 C ATOM 112 CG LEU A 7 -3.502 -5.926 -3.388 1.00 0.14 C ATOM 113 CD1 LEU A 7 -4.526 -6.548 -2.472 1.00 0.15 C ATOM 114 CD2 LEU A 7 -4.098 -5.700 -4.764 1.00 0.17 C ATOM 0 H LEU A 7 -0.595 -4.489 -1.939 1.00 0.11 H new ATOM 0 HA LEU A 7 -1.836 -4.408 -4.600 1.00 0.11 H new ATOM 0 HB2 LEU A 7 -2.706 -4.762 -1.775 1.00 0.11 H new ATOM 0 HB3 LEU A 7 -3.815 -3.886 -2.812 1.00 0.11 H new ATOM 0 HG LEU A 7 -2.659 -6.611 -3.475 1.00 0.14 H new ATOM 0 HD11 LEU A 7 -4.873 -7.488 -2.900 1.00 0.15 H new ATOM 0 HD12 LEU A 7 -4.075 -6.737 -1.498 1.00 0.15 H new ATOM 0 HD13 LEU A 7 -5.370 -5.869 -2.355 1.00 0.15 H new ATOM 0 HD21 LEU A 7 -4.455 -6.648 -5.166 1.00 0.17 H new ATOM 0 HD22 LEU A 7 -4.931 -5.001 -4.689 1.00 0.17 H new ATOM 0 HD23 LEU A 7 -3.337 -5.289 -5.427 1.00 0.17 H new ATOM 126 N ILE A 8 -2.471 -1.989 -4.731 1.00 0.08 N ATOM 127 CA ILE A 8 -2.595 -0.550 -4.910 1.00 0.08 C ATOM 128 C ILE A 8 -3.997 -0.176 -5.384 1.00 0.08 C ATOM 129 O ILE A 8 -4.393 -0.498 -6.506 1.00 0.10 O ATOM 130 CB ILE A 8 -1.553 -0.055 -5.926 1.00 0.10 C ATOM 131 CG1 ILE A 8 -0.148 -0.385 -5.423 1.00 0.11 C ATOM 132 CG2 ILE A 8 -1.702 1.440 -6.159 1.00 0.12 C ATOM 133 CD1 ILE A 8 0.878 -0.472 -6.521 1.00 0.12 C ATOM 0 H ILE A 8 -2.838 -2.544 -5.504 1.00 0.08 H new ATOM 0 HA ILE A 8 -2.419 -0.071 -3.947 1.00 0.08 H new ATOM 0 HB ILE A 8 -1.716 -0.561 -6.877 1.00 0.10 H new ATOM 0 HG12 ILE A 8 0.161 0.377 -4.707 1.00 0.11 H new ATOM 0 HG13 ILE A 8 -0.176 -1.334 -4.887 1.00 0.11 H new ATOM 0 HG21 ILE A 8 -0.956 1.772 -6.881 1.00 0.12 H new ATOM 0 HG22 ILE A 8 -2.699 1.650 -6.545 1.00 0.12 H new ATOM 0 HG23 ILE A 8 -1.558 1.971 -5.218 1.00 0.12 H new ATOM 0 HD11 ILE A 8 1.851 -0.709 -6.091 1.00 0.12 H new ATOM 0 HD12 ILE A 8 0.592 -1.253 -7.225 1.00 0.12 H new ATOM 0 HD13 ILE A 8 0.935 0.483 -7.043 1.00 0.12 H new ATOM 145 N VAL A 9 -4.755 0.481 -4.521 1.00 0.09 N ATOM 146 CA VAL A 9 -6.109 0.892 -4.862 1.00 0.10 C ATOM 147 C VAL A 9 -6.124 2.250 -5.569 1.00 0.14 C ATOM 148 O VAL A 9 -5.704 3.254 -5.007 1.00 0.17 O ATOM 149 CB VAL A 9 -7.003 0.943 -3.608 1.00 0.11 C ATOM 150 CG1 VAL A 9 -8.358 1.555 -3.923 1.00 0.14 C ATOM 151 CG2 VAL A 9 -7.174 -0.453 -3.032 1.00 0.11 C ATOM 0 H VAL A 9 -4.457 0.741 -3.581 1.00 0.09 H new ATOM 0 HA VAL A 9 -6.508 0.145 -5.549 1.00 0.10 H new ATOM 0 HB VAL A 9 -6.514 1.576 -2.868 1.00 0.11 H new ATOM 0 HG11 VAL A 9 -8.966 1.577 -3.019 1.00 0.14 H new ATOM 0 HG12 VAL A 9 -8.221 2.571 -4.293 1.00 0.14 H new ATOM 0 HG13 VAL A 9 -8.860 0.956 -4.683 1.00 0.14 H new ATOM 0 HG21 VAL A 9 -7.807 -0.406 -2.146 1.00 0.11 H new ATOM 0 HG22 VAL A 9 -7.639 -1.099 -3.777 1.00 0.11 H new ATOM 0 HG23 VAL A 9 -6.199 -0.856 -2.760 1.00 0.11 H new ATOM 161 N ASP A 10 -6.595 2.248 -6.813 1.00 0.17 N ATOM 162 CA ASP A 10 -6.762 3.456 -7.607 1.00 0.21 C ATOM 163 C ASP A 10 -7.723 3.201 -8.773 1.00 0.24 C ATOM 164 O ASP A 10 -7.682 2.135 -9.389 1.00 0.38 O ATOM 165 CB ASP A 10 -5.419 3.907 -8.164 1.00 0.23 C ATOM 166 CG ASP A 10 -5.566 5.114 -9.060 1.00 0.76 C ATOM 167 OD1 ASP A 10 -6.365 6.013 -8.725 1.00 0.78 O ATOM 168 OD2 ASP A 10 -4.902 5.151 -10.117 1.00 1.27 O ATOM 0 H ASP A 10 -6.874 1.397 -7.301 1.00 0.17 H new ATOM 0 HA ASP A 10 -7.172 4.233 -6.962 1.00 0.21 H new ATOM 0 HB2 ASP A 10 -4.744 4.144 -7.341 1.00 0.23 H new ATOM 0 HB3 ASP A 10 -4.964 3.090 -8.724 1.00 0.23 H new ATOM 173 N ASP A 11 -8.584 4.169 -9.077 1.00 0.29 N ATOM 174 CA ASP A 11 -9.458 4.072 -10.251 1.00 0.30 C ATOM 175 C ASP A 11 -8.923 4.950 -11.372 1.00 0.28 C ATOM 176 O ASP A 11 -9.281 4.780 -12.537 1.00 0.32 O ATOM 177 CB ASP A 11 -10.899 4.476 -9.929 1.00 0.39 C ATOM 178 CG ASP A 11 -11.836 4.283 -11.111 1.00 0.79 C ATOM 179 OD1 ASP A 11 -12.083 3.120 -11.501 1.00 0.76 O ATOM 180 OD2 ASP A 11 -12.315 5.292 -11.669 1.00 1.40 O ATOM 0 H ASP A 11 -8.698 5.025 -8.534 1.00 0.29 H new ATOM 0 HA ASP A 11 -9.465 3.028 -10.566 1.00 0.30 H new ATOM 0 HB2 ASP A 11 -11.258 3.887 -9.085 1.00 0.39 H new ATOM 0 HB3 ASP A 11 -10.920 5.521 -9.620 1.00 0.39 H new ATOM 185 N GLN A 12 -8.029 5.866 -11.014 1.00 0.30 N ATOM 186 CA GLN A 12 -7.469 6.819 -11.967 1.00 0.35 C ATOM 187 C GLN A 12 -6.580 6.103 -12.972 1.00 0.31 C ATOM 188 O GLN A 12 -6.230 6.657 -14.013 1.00 0.38 O ATOM 189 CB GLN A 12 -6.666 7.884 -11.220 1.00 0.45 C ATOM 190 CG GLN A 12 -7.471 8.566 -10.130 1.00 0.59 C ATOM 191 CD GLN A 12 -6.627 9.344 -9.148 1.00 1.07 C ATOM 192 OE1 GLN A 12 -6.331 10.521 -9.351 1.00 1.90 O ATOM 193 NE2 GLN A 12 -6.237 8.685 -8.069 1.00 1.77 N ATOM 0 H GLN A 12 -7.674 5.969 -10.063 1.00 0.30 H new ATOM 0 HA GLN A 12 -8.285 7.299 -12.507 1.00 0.35 H new ATOM 0 HB2 GLN A 12 -5.782 7.424 -10.779 1.00 0.45 H new ATOM 0 HB3 GLN A 12 -6.315 8.633 -11.930 1.00 0.45 H new ATOM 0 HG2 GLN A 12 -8.191 9.242 -10.591 1.00 0.59 H new ATOM 0 HG3 GLN A 12 -8.042 7.813 -9.587 1.00 0.59 H new ATOM 0 HE21 GLN A 12 -6.506 7.709 -7.942 1.00 1.77 H new ATOM 0 HE22 GLN A 12 -5.667 9.153 -7.364 1.00 1.77 H new ATOM 202 N TYR A 13 -6.201 4.873 -12.614 1.00 0.24 N ATOM 203 CA TYR A 13 -5.392 3.990 -13.453 1.00 0.23 C ATOM 204 C TYR A 13 -3.923 4.389 -13.422 1.00 0.22 C ATOM 205 O TYR A 13 -3.041 3.530 -13.434 1.00 0.29 O ATOM 206 CB TYR A 13 -5.919 3.940 -14.894 1.00 0.30 C ATOM 207 CG TYR A 13 -5.030 3.179 -15.855 1.00 0.42 C ATOM 208 CD1 TYR A 13 -5.039 1.789 -15.885 1.00 0.56 C ATOM 209 CD2 TYR A 13 -4.183 3.847 -16.733 1.00 0.53 C ATOM 210 CE1 TYR A 13 -4.230 1.087 -16.758 1.00 0.72 C ATOM 211 CE2 TYR A 13 -3.371 3.151 -17.609 1.00 0.67 C ATOM 212 CZ TYR A 13 -3.397 1.789 -17.627 1.00 0.76 C ATOM 213 OH TYR A 13 -2.589 1.078 -18.487 1.00 0.92 O ATOM 0 H TYR A 13 -6.453 4.457 -11.717 1.00 0.24 H new ATOM 0 HA TYR A 13 -5.474 2.986 -13.038 1.00 0.23 H new ATOM 0 HB2 TYR A 13 -6.908 3.482 -14.891 1.00 0.30 H new ATOM 0 HB3 TYR A 13 -6.041 4.960 -15.260 1.00 0.30 H new ATOM 0 HD1 TYR A 13 -5.690 1.248 -15.214 1.00 0.56 H new ATOM 0 HD2 TYR A 13 -4.159 4.927 -16.730 1.00 0.53 H new ATOM 0 HE1 TYR A 13 -4.243 0.007 -16.767 1.00 0.72 H new ATOM 0 HE2 TYR A 13 -2.716 3.687 -18.279 1.00 0.67 H new ATOM 0 HH TYR A 13 -2.065 1.700 -19.033 1.00 0.92 H new ATOM 223 N GLY A 14 -3.658 5.680 -13.356 1.00 0.22 N ATOM 224 CA GLY A 14 -2.294 6.140 -13.338 1.00 0.25 C ATOM 225 C GLY A 14 -1.636 5.959 -11.993 1.00 0.23 C ATOM 226 O GLY A 14 -0.535 5.424 -11.930 1.00 0.22 O ATOM 0 H GLY A 14 -4.363 6.416 -13.315 1.00 0.22 H new ATOM 0 HA2 GLY A 14 -1.723 5.600 -14.093 1.00 0.25 H new ATOM 0 HA3 GLY A 14 -2.267 7.195 -13.612 1.00 0.25 H new ATOM 230 N ILE A 15 -2.308 6.374 -10.919 1.00 0.24 N ATOM 231 CA ILE A 15 -1.739 6.273 -9.577 1.00 0.23 C ATOM 232 C ILE A 15 -1.327 4.843 -9.293 1.00 0.20 C ATOM 233 O ILE A 15 -0.221 4.581 -8.805 1.00 0.19 O ATOM 234 CB ILE A 15 -2.736 6.702 -8.484 1.00 0.24 C ATOM 235 CG1 ILE A 15 -3.412 8.022 -8.856 1.00 0.28 C ATOM 236 CG2 ILE A 15 -2.036 6.833 -7.135 1.00 0.25 C ATOM 237 CD1 ILE A 15 -2.446 9.157 -9.141 1.00 0.29 C ATOM 0 H ILE A 15 -3.243 6.781 -10.952 1.00 0.24 H new ATOM 0 HA ILE A 15 -0.880 6.943 -9.553 1.00 0.23 H new ATOM 0 HB ILE A 15 -3.501 5.929 -8.405 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -4.037 7.862 -9.735 1.00 0.28 H new ATOM 0 HG13 ILE A 15 -4.075 8.319 -8.043 1.00 0.28 H new ATOM 0 HG21 ILE A 15 -2.759 7.137 -6.378 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.600 5.873 -6.856 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -1.248 7.582 -7.205 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -3.006 10.056 -9.397 1.00 0.29 H new ATOM 0 HD12 ILE A 15 -1.838 9.348 -8.257 1.00 0.29 H new ATOM 0 HD13 ILE A 15 -1.799 8.883 -9.974 1.00 0.29 H new ATOM 249 N ARG A 16 -2.224 3.917 -9.619 1.00 0.19 N ATOM 250 CA ARG A 16 -1.947 2.509 -9.437 1.00 0.17 C ATOM 251 C ARG A 16 -0.687 2.114 -10.180 1.00 0.16 C ATOM 252 O ARG A 16 0.174 1.447 -9.622 1.00 0.16 O ATOM 253 CB ARG A 16 -3.118 1.630 -9.883 1.00 0.19 C ATOM 254 CG ARG A 16 -4.080 2.298 -10.833 1.00 0.24 C ATOM 255 CD ARG A 16 -5.296 1.430 -11.078 1.00 0.38 C ATOM 256 NE ARG A 16 -5.117 0.480 -12.175 1.00 0.76 N ATOM 257 CZ ARG A 16 -6.134 -0.059 -12.853 1.00 0.67 C ATOM 258 NH1 ARG A 16 -7.385 0.271 -12.553 1.00 0.95 N ATOM 259 NH2 ARG A 16 -5.905 -0.930 -13.825 1.00 1.51 N ATOM 0 H ARG A 16 -3.144 4.122 -10.009 1.00 0.19 H new ATOM 0 HA ARG A 16 -1.800 2.346 -8.369 1.00 0.17 H new ATOM 0 HB2 ARG A 16 -2.721 0.734 -10.360 1.00 0.19 H new ATOM 0 HB3 ARG A 16 -3.668 1.305 -9.000 1.00 0.19 H new ATOM 0 HG2 ARG A 16 -4.392 3.259 -10.424 1.00 0.24 H new ATOM 0 HG3 ARG A 16 -3.579 2.502 -11.779 1.00 0.24 H new ATOM 0 HD2 ARG A 16 -5.532 0.881 -10.166 1.00 0.38 H new ATOM 0 HD3 ARG A 16 -6.152 2.069 -11.296 1.00 0.38 H new ATOM 0 HE ARG A 16 -4.167 0.215 -12.436 1.00 0.76 H new ATOM 0 HH11 ARG A 16 -7.571 0.937 -11.803 1.00 0.95 H new ATOM 0 HH12 ARG A 16 -8.160 -0.142 -13.072 1.00 0.95 H new ATOM 0 HH21 ARG A 16 -4.948 -1.193 -14.059 1.00 1.51 H new ATOM 0 HH22 ARG A 16 -6.686 -1.338 -14.339 1.00 1.51 H new ATOM 273 N ILE A 17 -0.574 2.548 -11.428 1.00 0.17 N ATOM 274 CA ILE A 17 0.597 2.240 -12.235 1.00 0.18 C ATOM 275 C ILE A 17 1.848 2.877 -11.637 1.00 0.19 C ATOM 276 O ILE A 17 2.893 2.243 -11.599 1.00 0.19 O ATOM 277 CB ILE A 17 0.422 2.700 -13.702 1.00 0.21 C ATOM 278 CG1 ILE A 17 -0.684 1.890 -14.389 1.00 0.19 C ATOM 279 CG2 ILE A 17 1.729 2.575 -14.476 1.00 0.28 C ATOM 280 CD1 ILE A 17 -0.428 0.396 -14.412 1.00 0.23 C ATOM 0 H ILE A 17 -1.278 3.113 -11.902 1.00 0.17 H new ATOM 0 HA ILE A 17 0.712 1.156 -12.233 1.00 0.18 H new ATOM 0 HB ILE A 17 0.133 3.751 -13.693 1.00 0.21 H new ATOM 0 HG12 ILE A 17 -1.629 2.079 -13.879 1.00 0.19 H new ATOM 0 HG13 ILE A 17 -0.798 2.245 -15.413 1.00 0.19 H new ATOM 0 HG21 ILE A 17 1.576 2.905 -15.504 1.00 0.28 H new ATOM 0 HG22 ILE A 17 2.492 3.195 -14.005 1.00 0.28 H new ATOM 0 HG23 ILE A 17 2.055 1.535 -14.474 1.00 0.28 H new ATOM 0 HD11 ILE A 17 -1.254 -0.107 -14.914 1.00 0.23 H new ATOM 0 HD12 ILE A 17 0.499 0.194 -14.948 1.00 0.23 H new ATOM 0 HD13 ILE A 17 -0.345 0.025 -13.390 1.00 0.23 H new ATOM 292 N LEU A 18 1.727 4.111 -11.138 1.00 0.20 N ATOM 293 CA LEU A 18 2.868 4.821 -10.566 1.00 0.21 C ATOM 294 C LEU A 18 3.496 4.006 -9.450 1.00 0.18 C ATOM 295 O LEU A 18 4.712 3.836 -9.398 1.00 0.18 O ATOM 296 CB LEU A 18 2.454 6.184 -9.999 1.00 0.23 C ATOM 297 CG LEU A 18 1.653 7.073 -10.942 1.00 0.26 C ATOM 298 CD1 LEU A 18 1.269 8.373 -10.252 1.00 0.31 C ATOM 299 CD2 LEU A 18 2.432 7.352 -12.219 1.00 0.29 C ATOM 0 H LEU A 18 0.852 4.635 -11.120 1.00 0.20 H new ATOM 0 HA LEU A 18 3.587 4.972 -11.371 1.00 0.21 H new ATOM 0 HB2 LEU A 18 1.865 6.019 -9.097 1.00 0.23 H new ATOM 0 HB3 LEU A 18 3.354 6.721 -9.699 1.00 0.23 H new ATOM 0 HG LEU A 18 0.739 6.544 -11.214 1.00 0.26 H new ATOM 0 HD11 LEU A 18 0.697 8.995 -10.941 1.00 0.31 H new ATOM 0 HD12 LEU A 18 0.663 8.153 -9.373 1.00 0.31 H new ATOM 0 HD13 LEU A 18 2.171 8.903 -9.947 1.00 0.31 H new ATOM 0 HD21 LEU A 18 1.839 7.989 -12.875 1.00 0.29 H new ATOM 0 HD22 LEU A 18 3.366 7.856 -11.972 1.00 0.29 H new ATOM 0 HD23 LEU A 18 2.650 6.412 -12.725 1.00 0.29 H new ATOM 311 N LEU A 19 2.657 3.485 -8.569 1.00 0.16 N ATOM 312 CA LEU A 19 3.146 2.674 -7.468 1.00 0.13 C ATOM 313 C LEU A 19 3.490 1.284 -7.965 1.00 0.12 C ATOM 314 O LEU A 19 4.432 0.669 -7.492 1.00 0.11 O ATOM 315 CB LEU A 19 2.116 2.585 -6.341 1.00 0.14 C ATOM 316 CG LEU A 19 1.471 3.907 -5.927 1.00 0.14 C ATOM 317 CD1 LEU A 19 0.612 3.712 -4.690 1.00 0.14 C ATOM 318 CD2 LEU A 19 2.522 4.981 -5.682 1.00 0.17 C ATOM 0 H LEU A 19 1.645 3.608 -8.594 1.00 0.16 H new ATOM 0 HA LEU A 19 4.041 3.150 -7.069 1.00 0.13 H new ATOM 0 HB2 LEU A 19 1.328 1.898 -6.648 1.00 0.14 H new ATOM 0 HB3 LEU A 19 2.598 2.148 -5.467 1.00 0.14 H new ATOM 0 HG LEU A 19 0.835 4.242 -6.746 1.00 0.14 H new ATOM 0 HD11 LEU A 19 0.160 4.663 -4.408 1.00 0.14 H new ATOM 0 HD12 LEU A 19 -0.172 2.986 -4.903 1.00 0.14 H new ATOM 0 HD13 LEU A 19 1.232 3.348 -3.871 1.00 0.14 H new ATOM 0 HD21 LEU A 19 2.032 5.910 -5.389 1.00 0.17 H new ATOM 0 HD22 LEU A 19 3.193 4.658 -4.886 1.00 0.17 H new ATOM 0 HD23 LEU A 19 3.094 5.145 -6.595 1.00 0.17 H new ATOM 330 N ASN A 20 2.728 0.806 -8.936 1.00 0.12 N ATOM 331 CA ASN A 20 2.969 -0.505 -9.525 1.00 0.12 C ATOM 332 C ASN A 20 4.386 -0.571 -10.095 1.00 0.13 C ATOM 333 O ASN A 20 5.176 -1.430 -9.713 1.00 0.14 O ATOM 334 CB ASN A 20 1.935 -0.795 -10.626 1.00 0.15 C ATOM 335 CG ASN A 20 0.820 -1.724 -10.166 1.00 0.17 C ATOM 336 OD1 ASN A 20 0.885 -2.933 -10.365 1.00 0.20 O ATOM 337 ND2 ASN A 20 -0.210 -1.168 -9.541 1.00 0.19 N ATOM 0 H ASN A 20 1.934 1.307 -9.335 1.00 0.12 H new ATOM 0 HA ASN A 20 2.868 -1.263 -8.748 1.00 0.12 H new ATOM 0 HB2 ASN A 20 1.500 0.145 -10.965 1.00 0.15 H new ATOM 0 HB3 ASN A 20 2.440 -1.240 -11.483 1.00 0.15 H new ATOM 0 HD21 ASN A 20 -0.980 -1.749 -9.209 1.00 0.19 H new ATOM 0 HD22 ASN A 20 -0.232 -0.159 -9.392 1.00 0.19 H new ATOM 344 N GLU A 21 4.721 0.381 -10.961 1.00 0.15 N ATOM 345 CA GLU A 21 6.010 0.379 -11.642 1.00 0.17 C ATOM 346 C GLU A 21 7.162 0.708 -10.696 1.00 0.17 C ATOM 347 O GLU A 21 8.266 0.201 -10.859 1.00 0.23 O ATOM 348 CB GLU A 21 6.007 1.358 -12.825 1.00 0.19 C ATOM 349 CG GLU A 21 5.665 2.792 -12.445 1.00 0.21 C ATOM 350 CD GLU A 21 5.826 3.759 -13.598 1.00 0.27 C ATOM 351 OE1 GLU A 21 5.256 3.504 -14.677 1.00 0.33 O ATOM 352 OE2 GLU A 21 6.541 4.770 -13.436 1.00 0.40 O ATOM 0 H GLU A 21 4.116 1.164 -11.207 1.00 0.15 H new ATOM 0 HA GLU A 21 6.166 -0.633 -12.017 1.00 0.17 H new ATOM 0 HB2 GLU A 21 6.989 1.343 -13.297 1.00 0.19 H new ATOM 0 HB3 GLU A 21 5.290 1.010 -13.569 1.00 0.19 H new ATOM 0 HG2 GLU A 21 4.637 2.832 -12.084 1.00 0.21 H new ATOM 0 HG3 GLU A 21 6.305 3.107 -11.621 1.00 0.21 H new ATOM 359 N VAL A 22 6.900 1.543 -9.703 1.00 0.15 N ATOM 360 CA VAL A 22 7.941 2.000 -8.788 1.00 0.17 C ATOM 361 C VAL A 22 8.154 1.035 -7.637 1.00 0.16 C ATOM 362 O VAL A 22 9.272 0.875 -7.162 1.00 0.20 O ATOM 363 CB VAL A 22 7.615 3.408 -8.266 1.00 0.18 C ATOM 364 CG1 VAL A 22 8.490 3.775 -7.086 1.00 0.27 C ATOM 365 CG2 VAL A 22 7.794 4.420 -9.382 1.00 0.21 C ATOM 0 H VAL A 22 5.973 1.921 -9.507 1.00 0.15 H new ATOM 0 HA VAL A 22 8.875 2.039 -9.349 1.00 0.17 H new ATOM 0 HB VAL A 22 6.579 3.416 -7.928 1.00 0.18 H new ATOM 0 HG11 VAL A 22 8.234 4.777 -6.741 1.00 0.27 H new ATOM 0 HG12 VAL A 22 8.330 3.061 -6.278 1.00 0.27 H new ATOM 0 HG13 VAL A 22 9.537 3.752 -7.388 1.00 0.27 H new ATOM 0 HG21 VAL A 22 7.562 5.418 -9.009 1.00 0.21 H new ATOM 0 HG22 VAL A 22 8.825 4.395 -9.734 1.00 0.21 H new ATOM 0 HG23 VAL A 22 7.123 4.176 -10.206 1.00 0.21 H new ATOM 375 N PHE A 23 7.115 0.374 -7.191 1.00 0.12 N ATOM 376 CA PHE A 23 7.308 -0.684 -6.228 1.00 0.10 C ATOM 377 C PHE A 23 8.039 -1.812 -6.921 1.00 0.11 C ATOM 378 O PHE A 23 9.016 -2.347 -6.409 1.00 0.15 O ATOM 379 CB PHE A 23 5.982 -1.170 -5.650 1.00 0.10 C ATOM 380 CG PHE A 23 5.334 -0.190 -4.713 1.00 0.13 C ATOM 381 CD1 PHE A 23 6.089 0.739 -4.024 1.00 0.32 C ATOM 382 CD2 PHE A 23 3.963 -0.201 -4.527 1.00 0.18 C ATOM 383 CE1 PHE A 23 5.489 1.639 -3.169 1.00 0.38 C ATOM 384 CE2 PHE A 23 3.357 0.696 -3.671 1.00 0.18 C ATOM 385 CZ PHE A 23 4.121 1.618 -2.990 1.00 0.26 C ATOM 0 H PHE A 23 6.148 0.543 -7.470 1.00 0.12 H new ATOM 0 HA PHE A 23 7.893 -0.311 -5.387 1.00 0.10 H new ATOM 0 HB2 PHE A 23 5.296 -1.384 -6.469 1.00 0.10 H new ATOM 0 HB3 PHE A 23 6.149 -2.108 -5.121 1.00 0.10 H new ATOM 0 HD1 PHE A 23 7.161 0.761 -4.156 1.00 0.32 H new ATOM 0 HD2 PHE A 23 3.359 -0.921 -5.059 1.00 0.18 H new ATOM 0 HE1 PHE A 23 6.091 2.362 -2.638 1.00 0.38 H new ATOM 0 HE2 PHE A 23 2.286 0.675 -3.535 1.00 0.18 H new ATOM 0 HZ PHE A 23 3.651 2.322 -2.319 1.00 0.26 H new ATOM 395 N ASN A 24 7.599 -2.111 -8.136 1.00 0.12 N ATOM 396 CA ASN A 24 8.226 -3.146 -8.938 1.00 0.14 C ATOM 397 C ASN A 24 9.644 -2.755 -9.284 1.00 0.18 C ATOM 398 O ASN A 24 10.515 -3.613 -9.386 1.00 0.20 O ATOM 399 CB ASN A 24 7.426 -3.432 -10.211 1.00 0.16 C ATOM 400 CG ASN A 24 6.214 -4.312 -9.961 1.00 0.16 C ATOM 401 OD1 ASN A 24 5.787 -5.067 -10.835 1.00 0.21 O ATOM 402 ND2 ASN A 24 5.661 -4.235 -8.761 1.00 0.15 N ATOM 0 H ASN A 24 6.809 -1.649 -8.586 1.00 0.12 H new ATOM 0 HA ASN A 24 8.245 -4.061 -8.346 1.00 0.14 H new ATOM 0 HB2 ASN A 24 7.100 -2.489 -10.649 1.00 0.16 H new ATOM 0 HB3 ASN A 24 8.075 -3.915 -10.941 1.00 0.16 H new ATOM 0 HD21 ASN A 24 4.852 -4.814 -8.534 1.00 0.15 H new ATOM 0 HD22 ASN A 24 6.044 -3.597 -8.063 1.00 0.15 H new ATOM 409 N LYS A 25 9.873 -1.449 -9.424 1.00 0.19 N ATOM 410 CA LYS A 25 11.206 -0.926 -9.736 1.00 0.25 C ATOM 411 C LYS A 25 12.148 -1.310 -8.625 1.00 0.24 C ATOM 412 O LYS A 25 13.330 -1.579 -8.839 1.00 0.30 O ATOM 413 CB LYS A 25 11.198 0.607 -9.892 1.00 0.28 C ATOM 414 CG LYS A 25 11.676 1.375 -8.655 1.00 0.25 C ATOM 415 CD LYS A 25 12.700 2.447 -8.999 1.00 0.38 C ATOM 416 CE LYS A 25 14.040 1.822 -9.356 1.00 1.18 C ATOM 417 NZ LYS A 25 15.118 2.833 -9.513 1.00 1.65 N ATOM 0 H LYS A 25 9.153 -0.733 -9.327 1.00 0.19 H new ATOM 0 HA LYS A 25 11.529 -1.354 -10.685 1.00 0.25 H new ATOM 0 HB2 LYS A 25 11.830 0.877 -10.738 1.00 0.28 H new ATOM 0 HB3 LYS A 25 10.186 0.929 -10.135 1.00 0.28 H new ATOM 0 HG2 LYS A 25 10.820 1.838 -8.165 1.00 0.25 H new ATOM 0 HG3 LYS A 25 12.112 0.675 -7.942 1.00 0.25 H new ATOM 0 HD2 LYS A 25 12.339 3.046 -9.835 1.00 0.38 H new ATOM 0 HD3 LYS A 25 12.823 3.123 -8.153 1.00 0.38 H new ATOM 0 HE2 LYS A 25 14.324 1.111 -8.580 1.00 1.18 H new ATOM 0 HE3 LYS A 25 13.938 1.258 -10.283 1.00 1.18 H new ATOM 0 HZ1 LYS A 25 16.009 2.355 -9.756 1.00 1.65 H new ATOM 0 HZ2 LYS A 25 14.863 3.497 -10.272 1.00 1.65 H new ATOM 0 HZ3 LYS A 25 15.237 3.355 -8.621 1.00 1.65 H new ATOM 431 N GLU A 26 11.586 -1.350 -7.435 1.00 0.21 N ATOM 432 CA GLU A 26 12.327 -1.705 -6.250 1.00 0.26 C ATOM 433 C GLU A 26 12.454 -3.226 -6.148 1.00 0.36 C ATOM 434 O GLU A 26 12.884 -3.769 -5.133 1.00 0.78 O ATOM 435 CB GLU A 26 11.629 -1.125 -5.022 1.00 0.23 C ATOM 436 CG GLU A 26 11.494 0.389 -5.085 1.00 0.25 C ATOM 437 CD GLU A 26 12.799 1.110 -4.795 1.00 0.44 C ATOM 438 OE1 GLU A 26 13.257 1.081 -3.635 1.00 0.55 O ATOM 439 OE2 GLU A 26 13.367 1.728 -5.722 1.00 0.68 O ATOM 0 H GLU A 26 10.603 -1.137 -7.265 1.00 0.21 H new ATOM 0 HA GLU A 26 13.333 -1.288 -6.306 1.00 0.26 H new ATOM 0 HB2 GLU A 26 10.639 -1.571 -4.928 1.00 0.23 H new ATOM 0 HB3 GLU A 26 12.188 -1.399 -4.128 1.00 0.23 H new ATOM 0 HG2 GLU A 26 11.138 0.676 -6.074 1.00 0.25 H new ATOM 0 HG3 GLU A 26 10.739 0.712 -4.368 1.00 0.25 H new ATOM 446 N GLY A 27 12.058 -3.899 -7.224 1.00 0.19 N ATOM 447 CA GLY A 27 12.120 -5.342 -7.295 1.00 0.21 C ATOM 448 C GLY A 27 10.802 -5.986 -6.930 1.00 0.25 C ATOM 449 O GLY A 27 10.656 -7.203 -7.004 1.00 0.45 O ATOM 0 H GLY A 27 11.688 -3.455 -8.064 1.00 0.19 H new ATOM 0 HA2 GLY A 27 12.403 -5.643 -8.304 1.00 0.21 H new ATOM 0 HA3 GLY A 27 12.898 -5.705 -6.624 1.00 0.21 H new ATOM 453 N TYR A 28 9.814 -5.172 -6.593 1.00 0.15 N ATOM 454 CA TYR A 28 8.627 -5.689 -5.912 1.00 0.15 C ATOM 455 C TYR A 28 7.596 -6.226 -6.890 1.00 0.14 C ATOM 456 O TYR A 28 7.814 -6.231 -8.100 1.00 0.19 O ATOM 457 CB TYR A 28 7.982 -4.617 -5.024 1.00 0.20 C ATOM 458 CG TYR A 28 8.824 -4.213 -3.830 1.00 0.34 C ATOM 459 CD1 TYR A 28 10.039 -4.830 -3.563 1.00 0.84 C ATOM 460 CD2 TYR A 28 8.391 -3.219 -2.961 1.00 0.89 C ATOM 461 CE1 TYR A 28 10.793 -4.476 -2.464 1.00 0.93 C ATOM 462 CE2 TYR A 28 9.142 -2.856 -1.861 1.00 1.04 C ATOM 463 CZ TYR A 28 10.341 -3.490 -1.618 1.00 0.75 C ATOM 464 OH TYR A 28 11.079 -3.157 -0.509 1.00 0.98 O ATOM 0 H TYR A 28 9.804 -4.168 -6.774 1.00 0.15 H new ATOM 0 HA TYR A 28 8.967 -6.514 -5.286 1.00 0.15 H new ATOM 0 HB2 TYR A 28 7.781 -3.733 -5.629 1.00 0.20 H new ATOM 0 HB3 TYR A 28 7.020 -4.986 -4.668 1.00 0.20 H new ATOM 0 HD1 TYR A 28 10.400 -5.601 -4.228 1.00 0.84 H new ATOM 0 HD2 TYR A 28 7.451 -2.722 -3.149 1.00 0.89 H new ATOM 0 HE1 TYR A 28 11.733 -4.970 -2.269 1.00 0.93 H new ATOM 0 HE2 TYR A 28 8.792 -2.081 -1.196 1.00 1.04 H new ATOM 0 HH TYR A 28 12.030 -3.311 -0.690 1.00 0.98 H new ATOM 474 N GLN A 29 6.481 -6.697 -6.345 1.00 0.14 N ATOM 475 CA GLN A 29 5.357 -7.142 -7.139 1.00 0.16 C ATOM 476 C GLN A 29 4.128 -6.374 -6.691 1.00 0.14 C ATOM 477 O GLN A 29 3.888 -6.239 -5.497 1.00 0.17 O ATOM 478 CB GLN A 29 5.137 -8.640 -6.951 1.00 0.23 C ATOM 479 CG GLN A 29 3.977 -9.189 -7.757 1.00 1.14 C ATOM 480 CD GLN A 29 3.601 -10.599 -7.353 1.00 1.32 C ATOM 481 OE1 GLN A 29 2.438 -11.000 -7.455 1.00 1.95 O ATOM 482 NE2 GLN A 29 4.569 -11.348 -6.855 1.00 0.97 N ATOM 0 H GLN A 29 6.337 -6.779 -5.339 1.00 0.14 H new ATOM 0 HA GLN A 29 5.551 -6.959 -8.196 1.00 0.16 H new ATOM 0 HB2 GLN A 29 6.047 -9.170 -7.232 1.00 0.23 H new ATOM 0 HB3 GLN A 29 4.963 -8.843 -5.894 1.00 0.23 H new ATOM 0 HG2 GLN A 29 3.112 -8.537 -7.633 1.00 1.14 H new ATOM 0 HG3 GLN A 29 4.237 -9.176 -8.816 1.00 1.14 H new ATOM 0 HE21 GLN A 29 5.517 -10.978 -6.788 1.00 0.97 H new ATOM 0 HE22 GLN A 29 4.368 -12.296 -6.537 1.00 0.97 H new ATOM 491 N THR A 30 3.360 -5.864 -7.632 1.00 0.13 N ATOM 492 CA THR A 30 2.235 -5.010 -7.294 1.00 0.12 C ATOM 493 C THR A 30 0.956 -5.471 -7.957 1.00 0.14 C ATOM 494 O THR A 30 0.970 -6.289 -8.878 1.00 0.21 O ATOM 495 CB THR A 30 2.507 -3.553 -7.697 1.00 0.11 C ATOM 496 OG1 THR A 30 3.121 -3.523 -8.986 1.00 0.13 O ATOM 497 CG2 THR A 30 3.390 -2.867 -6.672 1.00 0.10 C ATOM 0 H THR A 30 3.491 -6.023 -8.631 1.00 0.13 H new ATOM 0 HA THR A 30 2.112 -5.075 -6.213 1.00 0.12 H new ATOM 0 HB THR A 30 1.560 -3.014 -7.737 1.00 0.11 H new ATOM 0 HG1 THR A 30 2.428 -3.523 -9.679 1.00 0.13 H new ATOM 0 HG21 THR A 30 3.569 -1.836 -6.978 1.00 0.10 H new ATOM 0 HG22 THR A 30 2.895 -2.876 -5.701 1.00 0.10 H new ATOM 0 HG23 THR A 30 4.341 -3.395 -6.600 1.00 0.10 H new ATOM 505 N PHE A 31 -0.146 -4.951 -7.461 1.00 0.11 N ATOM 506 CA PHE A 31 -1.434 -5.159 -8.068 1.00 0.13 C ATOM 507 C PHE A 31 -2.250 -3.884 -7.921 1.00 0.11 C ATOM 508 O PHE A 31 -1.800 -2.926 -7.295 1.00 0.10 O ATOM 509 CB PHE A 31 -2.161 -6.348 -7.433 1.00 0.15 C ATOM 510 CG PHE A 31 -2.320 -7.521 -8.356 1.00 0.19 C ATOM 511 CD1 PHE A 31 -1.324 -8.476 -8.466 1.00 0.30 C ATOM 512 CD2 PHE A 31 -3.470 -7.668 -9.114 1.00 0.28 C ATOM 513 CE1 PHE A 31 -1.470 -9.556 -9.313 1.00 0.43 C ATOM 514 CE2 PHE A 31 -3.623 -8.746 -9.962 1.00 0.42 C ATOM 515 CZ PHE A 31 -2.621 -9.691 -10.064 1.00 0.48 C ATOM 0 H PHE A 31 -0.169 -4.371 -6.622 1.00 0.11 H new ATOM 0 HA PHE A 31 -1.302 -5.393 -9.124 1.00 0.13 H new ATOM 0 HB2 PHE A 31 -1.613 -6.666 -6.546 1.00 0.15 H new ATOM 0 HB3 PHE A 31 -3.147 -6.024 -7.099 1.00 0.15 H new ATOM 0 HD1 PHE A 31 -0.421 -8.375 -7.882 1.00 0.30 H new ATOM 0 HD2 PHE A 31 -4.256 -6.931 -9.041 1.00 0.28 H new ATOM 0 HE1 PHE A 31 -0.685 -10.294 -9.388 1.00 0.43 H new ATOM 0 HE2 PHE A 31 -4.526 -8.851 -10.546 1.00 0.42 H new ATOM 0 HZ PHE A 31 -2.737 -10.534 -10.730 1.00 0.48 H new ATOM 525 N GLN A 32 -3.443 -3.871 -8.471 1.00 0.13 N ATOM 526 CA GLN A 32 -4.233 -2.658 -8.530 1.00 0.13 C ATOM 527 C GLN A 32 -5.711 -2.964 -8.332 1.00 0.14 C ATOM 528 O GLN A 32 -6.190 -4.046 -8.677 1.00 0.18 O ATOM 529 CB GLN A 32 -3.987 -1.956 -9.862 1.00 0.15 C ATOM 530 CG GLN A 32 -4.079 -2.900 -11.043 1.00 0.17 C ATOM 531 CD GLN A 32 -3.364 -2.381 -12.278 1.00 0.56 C ATOM 532 OE1 GLN A 32 -3.781 -2.630 -13.405 1.00 1.29 O ATOM 533 NE2 GLN A 32 -2.264 -1.673 -12.075 1.00 0.44 N ATOM 0 H GLN A 32 -3.890 -4.689 -8.886 1.00 0.13 H new ATOM 0 HA GLN A 32 -3.929 -1.993 -7.722 1.00 0.13 H new ATOM 0 HB2 GLN A 32 -4.714 -1.154 -9.985 1.00 0.15 H new ATOM 0 HB3 GLN A 32 -3.000 -1.493 -9.848 1.00 0.15 H new ATOM 0 HG2 GLN A 32 -3.655 -3.864 -10.763 1.00 0.17 H new ATOM 0 HG3 GLN A 32 -5.128 -3.071 -11.283 1.00 0.17 H new ATOM 0 HE21 GLN A 32 -1.947 -1.485 -11.124 1.00 0.44 H new ATOM 0 HE22 GLN A 32 -1.734 -1.315 -12.870 1.00 0.44 H new ATOM 542 N ALA A 33 -6.412 -2.004 -7.761 1.00 0.13 N ATOM 543 CA ALA A 33 -7.826 -2.144 -7.431 1.00 0.15 C ATOM 544 C ALA A 33 -8.533 -0.825 -7.624 1.00 0.20 C ATOM 545 O ALA A 33 -8.107 0.180 -7.090 1.00 0.32 O ATOM 546 CB ALA A 33 -7.993 -2.589 -5.997 1.00 0.16 C ATOM 0 H ALA A 33 -6.018 -1.097 -7.509 1.00 0.13 H new ATOM 0 HA ALA A 33 -8.260 -2.894 -8.092 1.00 0.15 H new ATOM 0 HB1 ALA A 33 -9.054 -2.688 -5.768 1.00 0.16 H new ATOM 0 HB2 ALA A 33 -7.500 -3.550 -5.855 1.00 0.16 H new ATOM 0 HB3 ALA A 33 -7.546 -1.850 -5.332 1.00 0.16 H new ATOM 552 N ALA A 34 -9.633 -0.836 -8.336 1.00 0.29 N ATOM 553 CA ALA A 34 -10.292 0.402 -8.717 1.00 0.32 C ATOM 554 C ALA A 34 -11.354 0.828 -7.705 1.00 0.33 C ATOM 555 O ALA A 34 -12.302 1.529 -8.063 1.00 0.47 O ATOM 556 CB ALA A 34 -10.902 0.247 -10.098 1.00 0.34 C ATOM 0 H ALA A 34 -10.095 -1.684 -8.666 1.00 0.29 H new ATOM 0 HA ALA A 34 -9.540 1.191 -8.734 1.00 0.32 H new ATOM 0 HB1 ALA A 34 -11.396 1.176 -10.384 1.00 0.34 H new ATOM 0 HB2 ALA A 34 -10.117 0.017 -10.819 1.00 0.34 H new ATOM 0 HB3 ALA A 34 -11.631 -0.563 -10.085 1.00 0.34 H new ATOM 562 N ASN A 35 -11.200 0.430 -6.438 1.00 0.40 N ATOM 563 CA ASN A 35 -12.168 0.837 -5.414 1.00 0.46 C ATOM 564 C ASN A 35 -11.651 0.597 -3.997 1.00 0.69 C ATOM 565 O ASN A 35 -11.736 1.462 -3.134 1.00 1.79 O ATOM 566 CB ASN A 35 -13.474 0.064 -5.593 1.00 0.36 C ATOM 567 CG ASN A 35 -14.609 0.646 -4.772 1.00 0.50 C ATOM 568 OD1 ASN A 35 -15.414 1.421 -5.276 1.00 0.96 O ATOM 569 ND2 ASN A 35 -14.664 0.298 -3.494 1.00 0.31 N ATOM 0 H ASN A 35 -10.437 -0.157 -6.103 1.00 0.40 H new ATOM 0 HA ASN A 35 -12.332 1.907 -5.542 1.00 0.46 H new ATOM 0 HB2 ASN A 35 -13.753 0.067 -6.647 1.00 0.36 H new ATOM 0 HB3 ASN A 35 -13.319 -0.976 -5.307 1.00 0.36 H new ATOM 0 HD21 ASN A 35 -15.395 0.678 -2.893 1.00 0.31 H new ATOM 0 HD22 ASN A 35 -13.975 -0.350 -3.112 1.00 0.31 H new ATOM 576 N GLY A 36 -11.125 -0.593 -3.772 1.00 0.36 N ATOM 577 CA GLY A 36 -10.786 -1.039 -2.433 1.00 0.19 C ATOM 578 C GLY A 36 -11.274 -2.458 -2.235 1.00 0.13 C ATOM 579 O GLY A 36 -10.492 -3.355 -1.940 1.00 0.12 O ATOM 0 H GLY A 36 -10.922 -1.272 -4.505 1.00 0.36 H new ATOM 0 HA2 GLY A 36 -9.707 -0.990 -2.284 1.00 0.19 H new ATOM 0 HA3 GLY A 36 -11.240 -0.380 -1.693 1.00 0.19 H new ATOM 583 N LEU A 37 -12.571 -2.656 -2.474 1.00 0.15 N ATOM 584 CA LEU A 37 -13.212 -3.980 -2.428 1.00 0.16 C ATOM 585 C LEU A 37 -12.504 -4.978 -3.335 1.00 0.17 C ATOM 586 O LEU A 37 -12.631 -6.189 -3.177 1.00 0.22 O ATOM 587 CB LEU A 37 -14.661 -3.860 -2.890 1.00 0.20 C ATOM 588 CG LEU A 37 -15.606 -3.145 -1.928 1.00 0.24 C ATOM 589 CD1 LEU A 37 -16.734 -2.469 -2.692 1.00 0.29 C ATOM 590 CD2 LEU A 37 -16.169 -4.136 -0.918 1.00 0.30 C ATOM 0 H LEU A 37 -13.215 -1.900 -2.707 1.00 0.15 H new ATOM 0 HA LEU A 37 -13.157 -4.337 -1.400 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -14.676 -3.333 -3.844 1.00 0.20 H new ATOM 0 HB3 LEU A 37 -15.049 -4.862 -3.073 1.00 0.20 H new ATOM 0 HG LEU A 37 -15.046 -2.377 -1.394 1.00 0.24 H new ATOM 0 HD11 LEU A 37 -17.398 -1.964 -1.990 1.00 0.29 H new ATOM 0 HD12 LEU A 37 -16.317 -1.739 -3.386 1.00 0.29 H new ATOM 0 HD13 LEU A 37 -17.297 -3.218 -3.249 1.00 0.29 H new ATOM 0 HD21 LEU A 37 -16.842 -3.617 -0.236 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -16.717 -4.919 -1.443 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -15.352 -4.582 -0.352 1.00 0.30 H new ATOM 602 N GLN A 38 -11.756 -4.448 -4.276 1.00 0.14 N ATOM 603 CA GLN A 38 -11.110 -5.259 -5.284 1.00 0.15 C ATOM 604 C GLN A 38 -9.793 -5.770 -4.755 1.00 0.12 C ATOM 605 O GLN A 38 -9.516 -6.963 -4.800 1.00 0.14 O ATOM 606 CB GLN A 38 -10.890 -4.446 -6.551 1.00 0.21 C ATOM 607 CG GLN A 38 -11.839 -3.274 -6.666 1.00 0.22 C ATOM 608 CD GLN A 38 -12.126 -2.906 -8.107 1.00 0.59 C ATOM 609 OE1 GLN A 38 -11.269 -3.066 -8.977 1.00 1.57 O ATOM 610 NE2 GLN A 38 -13.326 -2.420 -8.370 1.00 1.03 N ATOM 0 H GLN A 38 -11.579 -3.447 -4.365 1.00 0.14 H new ATOM 0 HA GLN A 38 -11.750 -6.107 -5.525 1.00 0.15 H new ATOM 0 HB2 GLN A 38 -9.863 -4.080 -6.569 1.00 0.21 H new ATOM 0 HB3 GLN A 38 -11.013 -5.094 -7.419 1.00 0.21 H new ATOM 0 HG2 GLN A 38 -12.775 -3.516 -6.162 1.00 0.22 H new ATOM 0 HG3 GLN A 38 -11.413 -2.413 -6.151 1.00 0.22 H new ATOM 0 HE21 GLN A 38 -14.005 -2.304 -7.618 1.00 1.03 H new ATOM 0 HE22 GLN A 38 -13.573 -2.161 -9.325 1.00 1.03 H new ATOM 619 N ALA A 39 -8.985 -4.850 -4.242 1.00 0.11 N ATOM 620 CA ALA A 39 -7.775 -5.218 -3.540 1.00 0.10 C ATOM 621 C ALA A 39 -8.143 -6.139 -2.391 1.00 0.10 C ATOM 622 O ALA A 39 -7.390 -7.021 -2.011 1.00 0.11 O ATOM 623 CB ALA A 39 -7.043 -3.985 -3.026 1.00 0.11 C ATOM 0 H ALA A 39 -9.151 -3.845 -4.302 1.00 0.11 H new ATOM 0 HA ALA A 39 -7.102 -5.732 -4.226 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -6.137 -4.291 -2.502 1.00 0.11 H new ATOM 0 HB2 ALA A 39 -6.777 -3.343 -3.866 1.00 0.11 H new ATOM 0 HB3 ALA A 39 -7.690 -3.437 -2.341 1.00 0.11 H new ATOM 629 N LEU A 40 -9.336 -5.921 -1.860 1.00 0.11 N ATOM 630 CA LEU A 40 -9.879 -6.748 -0.803 1.00 0.13 C ATOM 631 C LEU A 40 -9.966 -8.195 -1.258 1.00 0.13 C ATOM 632 O LEU A 40 -9.421 -9.100 -0.620 1.00 0.14 O ATOM 633 CB LEU A 40 -11.260 -6.240 -0.431 1.00 0.18 C ATOM 634 CG LEU A 40 -11.605 -6.333 1.053 1.00 0.26 C ATOM 635 CD1 LEU A 40 -13.050 -5.931 1.276 1.00 0.34 C ATOM 636 CD2 LEU A 40 -11.342 -7.725 1.612 1.00 0.40 C ATOM 0 H LEU A 40 -9.953 -5.163 -2.153 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.223 -6.697 0.066 1.00 0.13 H new ATOM 0 HB2 LEU A 40 -11.344 -5.199 -0.743 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -12.002 -6.803 -0.997 1.00 0.18 H new ATOM 0 HG LEU A 40 -10.955 -5.643 1.591 1.00 0.26 H new ATOM 0 HD11 LEU A 40 -13.287 -6.000 2.338 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -13.199 -4.906 0.937 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -13.704 -6.598 0.714 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -11.601 -7.747 2.671 1.00 0.40 H new ATOM 0 HD22 LEU A 40 -11.949 -8.454 1.075 1.00 0.40 H new ATOM 0 HD23 LEU A 40 -10.287 -7.972 1.491 1.00 0.40 H new ATOM 648 N ASP A 41 -10.656 -8.394 -2.367 1.00 0.14 N ATOM 649 CA ASP A 41 -10.787 -9.709 -2.968 1.00 0.16 C ATOM 650 C ASP A 41 -9.413 -10.279 -3.300 1.00 0.16 C ATOM 651 O ASP A 41 -9.167 -11.474 -3.138 1.00 0.19 O ATOM 652 CB ASP A 41 -11.646 -9.621 -4.231 1.00 0.21 C ATOM 653 CG ASP A 41 -11.706 -10.927 -4.995 1.00 0.87 C ATOM 654 OD1 ASP A 41 -12.471 -11.828 -4.586 1.00 0.93 O ATOM 655 OD2 ASP A 41 -10.994 -11.059 -6.011 1.00 1.72 O ATOM 0 H ASP A 41 -11.139 -7.652 -2.874 1.00 0.14 H new ATOM 0 HA ASP A 41 -11.274 -10.376 -2.256 1.00 0.16 H new ATOM 0 HB2 ASP A 41 -12.657 -9.320 -3.956 1.00 0.21 H new ATOM 0 HB3 ASP A 41 -11.247 -8.843 -4.882 1.00 0.21 H new ATOM 660 N ILE A 42 -8.511 -9.409 -3.734 1.00 0.14 N ATOM 661 CA ILE A 42 -7.152 -9.813 -4.061 1.00 0.15 C ATOM 662 C ILE A 42 -6.346 -10.129 -2.795 1.00 0.14 C ATOM 663 O ILE A 42 -5.396 -10.892 -2.843 1.00 0.17 O ATOM 664 CB ILE A 42 -6.421 -8.742 -4.899 1.00 0.16 C ATOM 665 CG1 ILE A 42 -7.201 -8.441 -6.178 1.00 0.19 C ATOM 666 CG2 ILE A 42 -5.009 -9.196 -5.245 1.00 0.18 C ATOM 667 CD1 ILE A 42 -6.657 -7.257 -6.940 1.00 0.20 C ATOM 0 H ILE A 42 -8.698 -8.415 -3.868 1.00 0.14 H new ATOM 0 HA ILE A 42 -7.229 -10.719 -4.662 1.00 0.15 H new ATOM 0 HB ILE A 42 -6.356 -7.832 -4.302 1.00 0.16 H new ATOM 0 HG12 ILE A 42 -7.183 -9.320 -6.823 1.00 0.19 H new ATOM 0 HG13 ILE A 42 -8.244 -8.254 -5.924 1.00 0.19 H new ATOM 0 HG21 ILE A 42 -4.513 -8.425 -5.836 1.00 0.18 H new ATOM 0 HG22 ILE A 42 -4.447 -9.367 -4.327 1.00 0.18 H new ATOM 0 HG23 ILE A 42 -5.055 -10.121 -5.820 1.00 0.18 H new ATOM 0 HD11 ILE A 42 -7.255 -7.096 -7.837 1.00 0.20 H new ATOM 0 HD12 ILE A 42 -6.701 -6.368 -6.311 1.00 0.20 H new ATOM 0 HD13 ILE A 42 -5.622 -7.451 -7.223 1.00 0.20 H new ATOM 679 N VAL A 43 -6.708 -9.554 -1.657 1.00 0.11 N ATOM 680 CA VAL A 43 -6.077 -9.955 -0.405 1.00 0.11 C ATOM 681 C VAL A 43 -6.578 -11.331 0.000 1.00 0.13 C ATOM 682 O VAL A 43 -5.809 -12.184 0.429 1.00 0.15 O ATOM 683 CB VAL A 43 -6.304 -8.959 0.758 1.00 0.09 C ATOM 684 CG1 VAL A 43 -5.824 -9.567 2.065 1.00 0.17 C ATOM 685 CG2 VAL A 43 -5.571 -7.660 0.502 1.00 0.14 C ATOM 0 H VAL A 43 -7.417 -8.826 -1.572 1.00 0.11 H new ATOM 0 HA VAL A 43 -5.003 -9.970 -0.593 1.00 0.11 H new ATOM 0 HB VAL A 43 -7.372 -8.750 0.826 1.00 0.09 H new ATOM 0 HG11 VAL A 43 -5.988 -8.859 2.877 1.00 0.17 H new ATOM 0 HG12 VAL A 43 -6.379 -10.484 2.265 1.00 0.17 H new ATOM 0 HG13 VAL A 43 -4.761 -9.795 1.991 1.00 0.17 H new ATOM 0 HG21 VAL A 43 -5.744 -6.975 1.332 1.00 0.14 H new ATOM 0 HG22 VAL A 43 -4.503 -7.857 0.411 1.00 0.14 H new ATOM 0 HG23 VAL A 43 -5.937 -7.211 -0.422 1.00 0.14 H new ATOM 695 N THR A 44 -7.866 -11.548 -0.171 1.00 0.14 N ATOM 696 CA THR A 44 -8.464 -12.834 0.124 1.00 0.19 C ATOM 697 C THR A 44 -7.930 -13.919 -0.828 1.00 0.22 C ATOM 698 O THR A 44 -7.717 -15.067 -0.427 1.00 0.28 O ATOM 699 CB THR A 44 -10.002 -12.739 0.025 1.00 0.30 C ATOM 700 OG1 THR A 44 -10.506 -11.861 1.041 1.00 0.97 O ATOM 701 CG2 THR A 44 -10.655 -14.103 0.156 1.00 0.83 C ATOM 0 H THR A 44 -8.522 -10.846 -0.515 1.00 0.14 H new ATOM 0 HA THR A 44 -8.193 -13.115 1.142 1.00 0.19 H new ATOM 0 HB THR A 44 -10.248 -12.340 -0.959 1.00 0.30 H new ATOM 0 HG1 THR A 44 -11.482 -11.805 0.970 1.00 0.97 H new ATOM 0 HG21 THR A 44 -11.737 -13.997 0.082 1.00 0.83 H new ATOM 0 HG22 THR A 44 -10.299 -14.755 -0.641 1.00 0.83 H new ATOM 0 HG23 THR A 44 -10.399 -14.538 1.122 1.00 0.83 H new ATOM 709 N LYS A 45 -7.686 -13.536 -2.076 1.00 0.22 N ATOM 710 CA LYS A 45 -7.253 -14.483 -3.101 1.00 0.27 C ATOM 711 C LYS A 45 -5.719 -14.606 -3.166 1.00 0.27 C ATOM 712 O LYS A 45 -5.183 -15.713 -3.199 1.00 0.30 O ATOM 713 CB LYS A 45 -7.854 -14.077 -4.459 1.00 0.28 C ATOM 714 CG LYS A 45 -6.952 -13.241 -5.342 1.00 0.32 C ATOM 715 CD LYS A 45 -7.628 -12.902 -6.661 1.00 0.33 C ATOM 716 CE LYS A 45 -6.768 -11.986 -7.517 1.00 1.22 C ATOM 717 NZ LYS A 45 -7.455 -11.607 -8.780 1.00 1.64 N ATOM 0 H LYS A 45 -7.780 -12.575 -2.404 1.00 0.22 H new ATOM 0 HA LYS A 45 -7.621 -15.474 -2.836 1.00 0.27 H new ATOM 0 HB2 LYS A 45 -8.128 -14.982 -5.001 1.00 0.28 H new ATOM 0 HB3 LYS A 45 -8.775 -13.522 -4.279 1.00 0.28 H new ATOM 0 HG2 LYS A 45 -6.682 -12.321 -4.823 1.00 0.32 H new ATOM 0 HG3 LYS A 45 -6.025 -13.782 -5.534 1.00 0.32 H new ATOM 0 HD2 LYS A 45 -7.837 -13.821 -7.209 1.00 0.33 H new ATOM 0 HD3 LYS A 45 -8.587 -12.422 -6.465 1.00 0.33 H new ATOM 0 HE2 LYS A 45 -6.522 -11.086 -6.953 1.00 1.22 H new ATOM 0 HE3 LYS A 45 -5.827 -12.484 -7.750 1.00 1.22 H new ATOM 0 HZ1 LYS A 45 -6.838 -10.982 -9.337 1.00 1.64 H new ATOM 0 HZ2 LYS A 45 -7.668 -12.464 -9.330 1.00 1.64 H new ATOM 0 HZ3 LYS A 45 -8.341 -11.110 -8.558 1.00 1.64 H new ATOM 731 N GLU A 46 -5.018 -13.476 -3.150 1.00 0.27 N ATOM 732 CA GLU A 46 -3.562 -13.461 -3.287 1.00 0.30 C ATOM 733 C GLU A 46 -2.877 -13.410 -1.931 1.00 0.29 C ATOM 734 O GLU A 46 -1.825 -14.018 -1.740 1.00 0.34 O ATOM 735 CB GLU A 46 -3.107 -12.242 -4.097 1.00 0.29 C ATOM 736 CG GLU A 46 -3.522 -12.268 -5.556 1.00 0.36 C ATOM 737 CD GLU A 46 -2.830 -13.360 -6.343 1.00 0.75 C ATOM 738 OE1 GLU A 46 -1.630 -13.220 -6.631 1.00 0.59 O ATOM 739 OE2 GLU A 46 -3.494 -14.367 -6.668 1.00 1.76 O ATOM 0 H GLU A 46 -5.437 -12.552 -3.043 1.00 0.27 H new ATOM 0 HA GLU A 46 -3.283 -14.381 -3.801 1.00 0.30 H new ATOM 0 HB2 GLU A 46 -3.510 -11.342 -3.633 1.00 0.29 H new ATOM 0 HB3 GLU A 46 -2.021 -12.170 -4.042 1.00 0.29 H new ATOM 0 HG2 GLU A 46 -4.601 -12.409 -5.620 1.00 0.36 H new ATOM 0 HG3 GLU A 46 -3.299 -11.302 -6.010 1.00 0.36 H new ATOM 746 N ARG A 47 -3.499 -12.694 -0.996 1.00 0.27 N ATOM 747 CA ARG A 47 -2.880 -12.371 0.287 1.00 0.27 C ATOM 748 C ARG A 47 -1.492 -11.780 0.071 1.00 0.27 C ATOM 749 O ARG A 47 -0.478 -12.446 0.304 1.00 0.35 O ATOM 750 CB ARG A 47 -2.788 -13.602 1.184 1.00 0.32 C ATOM 751 CG ARG A 47 -3.214 -13.341 2.621 1.00 0.58 C ATOM 752 CD ARG A 47 -2.305 -12.352 3.332 1.00 1.26 C ATOM 753 NE ARG A 47 -0.901 -12.765 3.347 1.00 2.00 N ATOM 754 CZ ARG A 47 -0.038 -12.401 4.295 1.00 2.89 C ATOM 755 NH1 ARG A 47 -0.471 -11.752 5.373 1.00 3.35 N ATOM 756 NH2 ARG A 47 1.245 -12.731 4.196 1.00 3.75 N ATOM 0 H ARG A 47 -4.443 -12.323 -1.106 1.00 0.27 H new ATOM 0 HA ARG A 47 -3.510 -11.634 0.785 1.00 0.27 H new ATOM 0 HB2 ARG A 47 -3.412 -14.393 0.767 1.00 0.32 H new ATOM 0 HB3 ARG A 47 -1.762 -13.969 1.179 1.00 0.32 H new ATOM 0 HG2 ARG A 47 -4.235 -12.960 2.629 1.00 0.58 H new ATOM 0 HG3 ARG A 47 -3.220 -14.282 3.170 1.00 0.58 H new ATOM 0 HD2 ARG A 47 -2.386 -11.380 2.845 1.00 1.26 H new ATOM 0 HD3 ARG A 47 -2.650 -12.224 4.358 1.00 1.26 H new ATOM 0 HE ARG A 47 -0.565 -13.363 2.592 1.00 2.00 H new ATOM 0 HH11 ARG A 47 -1.462 -11.534 5.473 1.00 3.35 H new ATOM 0 HH12 ARG A 47 0.188 -11.473 6.099 1.00 3.35 H new ATOM 0 HH21 ARG A 47 1.574 -13.265 3.392 1.00 3.75 H new ATOM 0 HH22 ARG A 47 1.902 -12.450 4.924 1.00 3.75 H new ATOM 770 N PRO A 48 -1.435 -10.540 -0.433 1.00 0.23 N ATOM 771 CA PRO A 48 -0.179 -9.826 -0.608 1.00 0.22 C ATOM 772 C PRO A 48 0.546 -9.636 0.723 1.00 0.26 C ATOM 773 O PRO A 48 -0.005 -9.929 1.781 1.00 0.44 O ATOM 774 CB PRO A 48 -0.571 -8.476 -1.205 1.00 0.18 C ATOM 775 CG PRO A 48 -2.054 -8.406 -1.190 1.00 0.19 C ATOM 776 CD PRO A 48 -2.594 -9.772 -0.886 1.00 0.34 C ATOM 0 HA PRO A 48 0.509 -10.378 -1.249 1.00 0.22 H new ATOM 0 HB2 PRO A 48 -0.141 -7.659 -0.625 1.00 0.18 H new ATOM 0 HB3 PRO A 48 -0.191 -8.380 -2.222 1.00 0.18 H new ATOM 0 HG2 PRO A 48 -2.391 -7.690 -0.440 1.00 0.19 H new ATOM 0 HG3 PRO A 48 -2.426 -8.058 -2.154 1.00 0.19 H new ATOM 0 HD2 PRO A 48 -3.366 -9.730 -0.117 1.00 0.34 H new ATOM 0 HD3 PRO A 48 -3.047 -10.224 -1.768 1.00 0.34 H new ATOM 784 N ASP A 49 1.771 -9.150 0.683 1.00 0.25 N ATOM 785 CA ASP A 49 2.524 -8.952 1.912 1.00 0.30 C ATOM 786 C ASP A 49 2.486 -7.490 2.324 1.00 0.27 C ATOM 787 O ASP A 49 2.953 -7.124 3.402 1.00 0.47 O ATOM 788 CB ASP A 49 3.965 -9.454 1.769 1.00 0.41 C ATOM 789 CG ASP A 49 4.029 -10.966 1.658 1.00 0.80 C ATOM 790 OD1 ASP A 49 3.910 -11.489 0.530 1.00 1.43 O ATOM 791 OD2 ASP A 49 4.190 -11.642 2.703 1.00 1.10 O ATOM 0 H ASP A 49 2.263 -8.888 -0.171 1.00 0.25 H new ATOM 0 HA ASP A 49 2.054 -9.541 2.700 1.00 0.30 H new ATOM 0 HB2 ASP A 49 4.420 -9.006 0.886 1.00 0.41 H new ATOM 0 HB3 ASP A 49 4.550 -9.128 2.629 1.00 0.41 H new ATOM 796 N LEU A 50 1.922 -6.663 1.452 1.00 0.17 N ATOM 797 CA LEU A 50 1.662 -5.268 1.766 1.00 0.17 C ATOM 798 C LEU A 50 0.567 -4.729 0.834 1.00 0.14 C ATOM 799 O LEU A 50 0.448 -5.154 -0.314 1.00 0.15 O ATOM 800 CB LEU A 50 2.966 -4.454 1.686 1.00 0.24 C ATOM 801 CG LEU A 50 2.853 -2.950 1.947 1.00 0.19 C ATOM 802 CD1 LEU A 50 4.126 -2.437 2.600 1.00 0.38 C ATOM 803 CD2 LEU A 50 2.609 -2.206 0.649 1.00 0.45 C ATOM 0 H LEU A 50 1.634 -6.940 0.514 1.00 0.17 H new ATOM 0 HA LEU A 50 1.296 -5.174 2.789 1.00 0.17 H new ATOM 0 HB2 LEU A 50 3.673 -4.872 2.403 1.00 0.24 H new ATOM 0 HB3 LEU A 50 3.396 -4.596 0.695 1.00 0.24 H new ATOM 0 HG LEU A 50 2.011 -2.777 2.617 1.00 0.19 H new ATOM 0 HD11 LEU A 50 4.036 -1.366 2.782 1.00 0.38 H new ATOM 0 HD12 LEU A 50 4.283 -2.954 3.547 1.00 0.38 H new ATOM 0 HD13 LEU A 50 4.974 -2.623 1.940 1.00 0.38 H new ATOM 0 HD21 LEU A 50 2.531 -1.138 0.851 1.00 0.45 H new ATOM 0 HD22 LEU A 50 3.438 -2.386 -0.035 1.00 0.45 H new ATOM 0 HD23 LEU A 50 1.682 -2.558 0.196 1.00 0.45 H new ATOM 815 N VAL A 51 -0.251 -3.821 1.343 1.00 0.14 N ATOM 816 CA VAL A 51 -1.392 -3.280 0.598 1.00 0.14 C ATOM 817 C VAL A 51 -1.434 -1.766 0.714 1.00 0.17 C ATOM 818 O VAL A 51 -0.980 -1.216 1.700 1.00 0.39 O ATOM 819 CB VAL A 51 -2.731 -3.831 1.129 1.00 0.14 C ATOM 820 CG1 VAL A 51 -3.111 -5.144 0.468 1.00 0.97 C ATOM 821 CG2 VAL A 51 -2.644 -4.055 2.593 1.00 0.94 C ATOM 0 H VAL A 51 -0.149 -3.435 2.282 1.00 0.14 H new ATOM 0 HA VAL A 51 -1.260 -3.582 -0.441 1.00 0.14 H new ATOM 0 HB VAL A 51 -3.494 -3.088 0.895 1.00 0.14 H new ATOM 0 HG11 VAL A 51 -4.060 -5.494 0.873 1.00 0.97 H new ATOM 0 HG12 VAL A 51 -3.208 -4.995 -0.607 1.00 0.97 H new ATOM 0 HG13 VAL A 51 -2.338 -5.887 0.663 1.00 0.97 H new ATOM 0 HG21 VAL A 51 -3.594 -4.444 2.959 1.00 0.94 H new ATOM 0 HG22 VAL A 51 -1.852 -4.773 2.805 1.00 0.94 H new ATOM 0 HG23 VAL A 51 -2.422 -3.112 3.093 1.00 0.94 H new ATOM 831 N LEU A 52 -1.948 -1.099 -0.303 1.00 0.14 N ATOM 832 CA LEU A 52 -2.206 0.332 -0.236 1.00 0.13 C ATOM 833 C LEU A 52 -3.641 0.629 -0.633 1.00 0.14 C ATOM 834 O LEU A 52 -4.094 0.226 -1.707 1.00 0.18 O ATOM 835 CB LEU A 52 -1.262 1.133 -1.132 1.00 0.15 C ATOM 836 CG LEU A 52 0.005 1.640 -0.447 1.00 0.17 C ATOM 837 CD1 LEU A 52 1.045 0.540 -0.352 1.00 0.20 C ATOM 838 CD2 LEU A 52 0.563 2.840 -1.189 1.00 0.25 C ATOM 0 H LEU A 52 -2.198 -1.528 -1.194 1.00 0.14 H new ATOM 0 HA LEU A 52 -2.033 0.636 0.796 1.00 0.13 H new ATOM 0 HB2 LEU A 52 -0.974 0.510 -1.979 1.00 0.15 H new ATOM 0 HB3 LEU A 52 -1.806 1.988 -1.535 1.00 0.15 H new ATOM 0 HG LEU A 52 -0.254 1.948 0.566 1.00 0.17 H new ATOM 0 HD11 LEU A 52 1.938 0.925 0.140 1.00 0.20 H new ATOM 0 HD12 LEU A 52 0.643 -0.292 0.226 1.00 0.20 H new ATOM 0 HD13 LEU A 52 1.302 0.195 -1.353 1.00 0.20 H new ATOM 0 HD21 LEU A 52 1.466 3.190 -0.688 1.00 0.25 H new ATOM 0 HD22 LEU A 52 0.803 2.555 -2.213 1.00 0.25 H new ATOM 0 HD23 LEU A 52 -0.179 3.639 -1.199 1.00 0.25 H new ATOM 850 N LEU A 53 -4.353 1.328 0.235 1.00 0.16 N ATOM 851 CA LEU A 53 -5.736 1.689 -0.031 1.00 0.17 C ATOM 852 C LEU A 53 -5.867 3.200 -0.139 1.00 0.19 C ATOM 853 O LEU A 53 -5.907 3.886 0.875 1.00 0.36 O ATOM 854 CB LEU A 53 -6.677 1.205 1.082 1.00 0.21 C ATOM 855 CG LEU A 53 -6.618 -0.285 1.423 1.00 0.25 C ATOM 856 CD1 LEU A 53 -7.815 -0.682 2.254 1.00 0.42 C ATOM 857 CD2 LEU A 53 -6.532 -1.147 0.177 1.00 0.53 C ATOM 0 H LEU A 53 -3.996 1.657 1.132 1.00 0.16 H new ATOM 0 HA LEU A 53 -6.018 1.208 -0.967 1.00 0.17 H new ATOM 0 HB2 LEU A 53 -6.456 1.771 1.987 1.00 0.21 H new ATOM 0 HB3 LEU A 53 -7.700 1.449 0.795 1.00 0.21 H new ATOM 0 HG LEU A 53 -5.710 -0.453 2.002 1.00 0.25 H new ATOM 0 HD11 LEU A 53 -7.759 -1.745 2.489 1.00 0.42 H new ATOM 0 HD12 LEU A 53 -7.823 -0.106 3.179 1.00 0.42 H new ATOM 0 HD13 LEU A 53 -8.729 -0.482 1.695 1.00 0.42 H new ATOM 0 HD21 LEU A 53 -6.492 -2.198 0.464 1.00 0.53 H new ATOM 0 HD22 LEU A 53 -7.409 -0.974 -0.446 1.00 0.53 H new ATOM 0 HD23 LEU A 53 -5.633 -0.889 -0.382 1.00 0.53 H new ATOM 869 N ASP A 54 -5.908 3.727 -1.349 1.00 0.23 N ATOM 870 CA ASP A 54 -6.105 5.159 -1.520 1.00 0.23 C ATOM 871 C ASP A 54 -7.543 5.520 -1.209 1.00 0.24 C ATOM 872 O ASP A 54 -8.429 5.246 -1.994 1.00 0.29 O ATOM 873 CB ASP A 54 -5.782 5.601 -2.948 1.00 0.29 C ATOM 874 CG ASP A 54 -5.797 7.112 -3.094 1.00 0.31 C ATOM 875 OD1 ASP A 54 -5.432 7.806 -2.122 1.00 0.33 O ATOM 876 OD2 ASP A 54 -6.195 7.609 -4.169 1.00 0.35 O ATOM 0 H ASP A 54 -5.810 3.198 -2.216 1.00 0.23 H new ATOM 0 HA ASP A 54 -5.429 5.671 -0.835 1.00 0.23 H new ATOM 0 HB2 ASP A 54 -4.801 5.219 -3.232 1.00 0.29 H new ATOM 0 HB3 ASP A 54 -6.506 5.163 -3.635 1.00 0.29 H new ATOM 881 N MET A 55 -7.792 6.133 -0.066 1.00 0.22 N ATOM 882 CA MET A 55 -9.150 6.546 0.268 1.00 0.25 C ATOM 883 C MET A 55 -9.522 7.776 -0.542 1.00 0.26 C ATOM 884 O MET A 55 -10.628 8.303 -0.451 1.00 0.29 O ATOM 885 CB MET A 55 -9.314 6.790 1.772 1.00 0.26 C ATOM 886 CG MET A 55 -8.345 7.791 2.392 1.00 0.25 C ATOM 887 SD MET A 55 -8.673 9.503 1.927 1.00 0.68 S ATOM 888 CE MET A 55 -10.410 9.637 2.344 1.00 0.38 C ATOM 0 H MET A 55 -7.088 6.355 0.638 1.00 0.22 H new ATOM 0 HA MET A 55 -9.833 5.737 0.010 1.00 0.25 H new ATOM 0 HB2 MET A 55 -10.331 7.136 1.956 1.00 0.26 H new ATOM 0 HB3 MET A 55 -9.203 5.837 2.290 1.00 0.26 H new ATOM 0 HG2 MET A 55 -8.392 7.704 3.477 1.00 0.25 H new ATOM 0 HG3 MET A 55 -7.329 7.531 2.095 1.00 0.25 H new ATOM 0 HE1 MET A 55 -10.989 9.818 1.438 1.00 0.38 H new ATOM 0 HE2 MET A 55 -10.745 8.710 2.809 1.00 0.38 H new ATOM 0 HE3 MET A 55 -10.555 10.465 3.038 1.00 0.38 H new ATOM 898 N LYS A 56 -8.570 8.200 -1.350 1.00 0.26 N ATOM 899 CA LYS A 56 -8.735 9.306 -2.255 1.00 0.31 C ATOM 900 C LYS A 56 -9.165 8.765 -3.615 1.00 0.35 C ATOM 901 O LYS A 56 -9.393 9.517 -4.569 1.00 0.41 O ATOM 902 CB LYS A 56 -7.412 10.053 -2.338 1.00 0.35 C ATOM 903 CG LYS A 56 -7.435 11.292 -3.201 1.00 0.45 C ATOM 904 CD LYS A 56 -8.637 12.190 -2.929 1.00 0.49 C ATOM 905 CE LYS A 56 -8.848 12.444 -1.447 1.00 0.38 C ATOM 906 NZ LYS A 56 -9.690 13.647 -1.213 1.00 0.44 N ATOM 0 H LYS A 56 -7.645 7.773 -1.392 1.00 0.26 H new ATOM 0 HA LYS A 56 -9.503 9.998 -1.908 1.00 0.31 H new ATOM 0 HB2 LYS A 56 -7.107 10.335 -1.330 1.00 0.35 H new ATOM 0 HB3 LYS A 56 -6.651 9.374 -2.723 1.00 0.35 H new ATOM 0 HG2 LYS A 56 -6.520 11.860 -3.034 1.00 0.45 H new ATOM 0 HG3 LYS A 56 -7.440 10.996 -4.250 1.00 0.45 H new ATOM 0 HD2 LYS A 56 -8.499 13.142 -3.442 1.00 0.49 H new ATOM 0 HD3 LYS A 56 -9.532 11.730 -3.347 1.00 0.49 H new ATOM 0 HE2 LYS A 56 -9.321 11.574 -0.992 1.00 0.38 H new ATOM 0 HE3 LYS A 56 -7.882 12.574 -0.958 1.00 0.38 H new ATOM 0 HZ1 LYS A 56 -9.940 13.705 -0.205 1.00 0.44 H new ATOM 0 HZ2 LYS A 56 -9.161 14.499 -1.488 1.00 0.44 H new ATOM 0 HZ3 LYS A 56 -10.558 13.579 -1.782 1.00 0.44 H new ATOM 920 N ILE A 57 -9.279 7.441 -3.679 1.00 0.36 N ATOM 921 CA ILE A 57 -9.682 6.754 -4.887 1.00 0.43 C ATOM 922 C ILE A 57 -11.037 7.271 -5.376 1.00 0.38 C ATOM 923 O ILE A 57 -12.013 7.325 -4.627 1.00 0.45 O ATOM 924 CB ILE A 57 -9.704 5.208 -4.674 1.00 0.57 C ATOM 925 CG1 ILE A 57 -9.884 4.451 -6.000 1.00 0.93 C ATOM 926 CG2 ILE A 57 -10.791 4.800 -3.685 1.00 0.71 C ATOM 927 CD1 ILE A 57 -11.324 4.313 -6.461 1.00 1.79 C ATOM 0 H ILE A 57 -9.093 6.821 -2.891 1.00 0.36 H new ATOM 0 HA ILE A 57 -8.944 6.965 -5.661 1.00 0.43 H new ATOM 0 HB ILE A 57 -8.735 4.934 -4.258 1.00 0.57 H new ATOM 0 HG12 ILE A 57 -9.316 4.964 -6.776 1.00 0.93 H new ATOM 0 HG13 ILE A 57 -9.453 3.455 -5.896 1.00 0.93 H new ATOM 0 HG21 ILE A 57 -10.780 3.717 -3.559 1.00 0.71 H new ATOM 0 HG22 ILE A 57 -10.607 5.280 -2.724 1.00 0.71 H new ATOM 0 HG23 ILE A 57 -11.764 5.111 -4.065 1.00 0.71 H new ATOM 0 HD11 ILE A 57 -11.354 3.766 -7.403 1.00 1.79 H new ATOM 0 HD12 ILE A 57 -11.897 3.771 -5.709 1.00 1.79 H new ATOM 0 HD13 ILE A 57 -11.757 5.303 -6.602 1.00 1.79 H new ATOM 939 N PRO A 58 -11.067 7.705 -6.644 1.00 0.34 N ATOM 940 CA PRO A 58 -12.255 8.194 -7.345 1.00 0.31 C ATOM 941 C PRO A 58 -13.562 7.506 -6.943 1.00 0.41 C ATOM 942 O PRO A 58 -13.837 6.377 -7.357 1.00 1.18 O ATOM 943 CB PRO A 58 -11.925 7.887 -8.819 1.00 0.46 C ATOM 944 CG PRO A 58 -10.528 7.352 -8.827 1.00 0.70 C ATOM 945 CD PRO A 58 -9.914 7.766 -7.531 1.00 0.41 C ATOM 0 HA PRO A 58 -12.439 9.244 -7.116 1.00 0.31 H new ATOM 0 HB2 PRO A 58 -12.624 7.159 -9.232 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -12.002 8.786 -9.431 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.528 6.267 -8.928 1.00 0.70 H new ATOM 0 HG3 PRO A 58 -9.964 7.751 -9.670 1.00 0.70 H new ATOM 0 HD2 PRO A 58 -9.117 7.091 -7.218 1.00 0.41 H new ATOM 0 HD3 PRO A 58 -9.484 8.766 -7.580 1.00 0.41 H new ATOM 953 N GLY A 59 -14.346 8.184 -6.112 1.00 0.86 N ATOM 954 CA GLY A 59 -15.699 7.742 -5.843 1.00 0.93 C ATOM 955 C GLY A 59 -15.885 7.073 -4.497 1.00 0.80 C ATOM 956 O GLY A 59 -16.947 7.188 -3.887 1.00 1.71 O ATOM 0 H GLY A 59 -14.067 9.033 -5.620 1.00 0.86 H new ATOM 0 HA2 GLY A 59 -16.367 8.601 -5.903 1.00 0.93 H new ATOM 0 HA3 GLY A 59 -16.003 7.047 -6.625 1.00 0.93 H new ATOM 960 N MET A 60 -14.870 6.378 -4.028 1.00 0.77 N ATOM 961 CA MET A 60 -15.006 5.571 -2.816 1.00 0.49 C ATOM 962 C MET A 60 -13.810 5.687 -1.891 1.00 0.60 C ATOM 963 O MET A 60 -12.951 6.549 -2.046 1.00 1.30 O ATOM 964 CB MET A 60 -15.188 4.098 -3.167 1.00 0.65 C ATOM 965 CG MET A 60 -16.587 3.715 -3.610 1.00 0.83 C ATOM 966 SD MET A 60 -17.713 3.362 -2.236 1.00 1.92 S ATOM 967 CE MET A 60 -17.865 4.960 -1.439 1.00 2.52 C ATOM 0 H MET A 60 -13.945 6.350 -4.458 1.00 0.77 H new ATOM 0 HA MET A 60 -15.884 5.959 -2.299 1.00 0.49 H new ATOM 0 HB2 MET A 60 -14.488 3.840 -3.961 1.00 0.65 H new ATOM 0 HB3 MET A 60 -14.920 3.497 -2.298 1.00 0.65 H new ATOM 0 HG2 MET A 60 -17.003 4.524 -4.211 1.00 0.83 H new ATOM 0 HG3 MET A 60 -16.527 2.838 -4.254 1.00 0.83 H new ATOM 0 HE1 MET A 60 -18.785 4.990 -0.856 1.00 2.52 H new ATOM 0 HE2 MET A 60 -17.012 5.120 -0.779 1.00 2.52 H new ATOM 0 HE3 MET A 60 -17.890 5.743 -2.196 1.00 2.52 H new ATOM 977 N ASP A 61 -13.802 4.800 -0.909 1.00 0.36 N ATOM 978 CA ASP A 61 -12.694 4.638 0.009 1.00 0.35 C ATOM 979 C ASP A 61 -12.599 3.183 0.388 1.00 0.47 C ATOM 980 O ASP A 61 -13.593 2.453 0.358 1.00 1.11 O ATOM 981 CB ASP A 61 -12.867 5.506 1.261 1.00 0.42 C ATOM 982 CG ASP A 61 -14.024 5.057 2.131 1.00 0.68 C ATOM 983 OD1 ASP A 61 -13.837 4.111 2.931 1.00 1.07 O ATOM 984 OD2 ASP A 61 -15.119 5.651 2.027 1.00 0.99 O ATOM 0 H ASP A 61 -14.579 4.164 -0.727 1.00 0.36 H new ATOM 0 HA ASP A 61 -11.776 4.962 -0.480 1.00 0.35 H new ATOM 0 HB2 ASP A 61 -11.947 5.480 1.846 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -13.025 6.542 0.961 1.00 0.42 H new ATOM 989 N GLY A 62 -11.403 2.750 0.705 1.00 0.36 N ATOM 990 CA GLY A 62 -11.218 1.385 1.097 1.00 0.32 C ATOM 991 C GLY A 62 -11.073 1.259 2.603 1.00 0.29 C ATOM 992 O GLY A 62 -10.427 0.338 3.087 1.00 0.31 O ATOM 0 H GLY A 62 -10.556 3.319 0.698 1.00 0.36 H new ATOM 0 HA2 GLY A 62 -12.066 0.789 0.760 1.00 0.32 H new ATOM 0 HA3 GLY A 62 -10.331 0.981 0.609 1.00 0.32 H new ATOM 996 N ILE A 63 -11.671 2.178 3.361 1.00 0.28 N ATOM 997 CA ILE A 63 -11.498 2.174 4.812 1.00 0.29 C ATOM 998 C ILE A 63 -12.101 0.901 5.417 1.00 0.29 C ATOM 999 O ILE A 63 -11.410 0.129 6.088 1.00 0.31 O ATOM 1000 CB ILE A 63 -12.113 3.426 5.504 1.00 0.30 C ATOM 1001 CG1 ILE A 63 -11.167 4.636 5.406 1.00 0.34 C ATOM 1002 CG2 ILE A 63 -12.425 3.132 6.970 1.00 0.41 C ATOM 1003 CD1 ILE A 63 -10.739 4.974 4.003 1.00 0.52 C ATOM 0 H ILE A 63 -12.269 2.922 3.002 1.00 0.28 H new ATOM 0 HA ILE A 63 -10.424 2.202 4.994 1.00 0.29 H new ATOM 0 HB ILE A 63 -13.040 3.668 4.984 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -11.660 5.505 5.842 1.00 0.34 H new ATOM 0 HG13 ILE A 63 -10.279 4.438 6.007 1.00 0.34 H new ATOM 0 HG21 ILE A 63 -12.854 4.019 7.436 1.00 0.41 H new ATOM 0 HG22 ILE A 63 -13.137 2.309 7.033 1.00 0.41 H new ATOM 0 HG23 ILE A 63 -11.507 2.857 7.489 1.00 0.41 H new ATOM 0 HD11 ILE A 63 -10.074 5.838 4.023 1.00 0.52 H new ATOM 0 HD12 ILE A 63 -10.215 4.123 3.568 1.00 0.52 H new ATOM 0 HD13 ILE A 63 -11.617 5.206 3.401 1.00 0.52 H new ATOM 1015 N GLU A 64 -13.391 0.676 5.159 1.00 0.31 N ATOM 1016 CA GLU A 64 -14.063 -0.553 5.579 1.00 0.35 C ATOM 1017 C GLU A 64 -13.462 -1.744 4.851 1.00 0.29 C ATOM 1018 O GLU A 64 -13.701 -2.892 5.204 1.00 0.28 O ATOM 1019 CB GLU A 64 -15.552 -0.482 5.270 1.00 0.46 C ATOM 1020 CG GLU A 64 -16.410 -0.969 6.415 1.00 0.73 C ATOM 1021 CD GLU A 64 -17.834 -1.253 5.999 1.00 1.14 C ATOM 1022 OE1 GLU A 64 -18.084 -2.310 5.386 1.00 1.63 O ATOM 1023 OE2 GLU A 64 -18.709 -0.407 6.270 1.00 1.69 O ATOM 0 H GLU A 64 -13.992 1.332 4.660 1.00 0.31 H new ATOM 0 HA GLU A 64 -13.926 -0.668 6.654 1.00 0.35 H new ATOM 0 HB2 GLU A 64 -15.821 0.547 5.032 1.00 0.46 H new ATOM 0 HB3 GLU A 64 -15.764 -1.080 4.383 1.00 0.46 H new ATOM 0 HG2 GLU A 64 -15.971 -1.875 6.833 1.00 0.73 H new ATOM 0 HG3 GLU A 64 -16.410 -0.220 7.207 1.00 0.73 H new ATOM 1030 N ILE A 65 -12.686 -1.463 3.826 1.00 0.26 N ATOM 1031 CA ILE A 65 -12.008 -2.500 3.080 1.00 0.24 C ATOM 1032 C ILE A 65 -10.833 -3.041 3.883 1.00 0.24 C ATOM 1033 O ILE A 65 -10.684 -4.250 4.029 1.00 0.24 O ATOM 1034 CB ILE A 65 -11.514 -1.973 1.725 1.00 0.23 C ATOM 1035 CG1 ILE A 65 -12.704 -1.520 0.874 1.00 0.38 C ATOM 1036 CG2 ILE A 65 -10.688 -3.024 1.010 1.00 0.26 C ATOM 1037 CD1 ILE A 65 -13.852 -2.500 0.864 1.00 0.50 C ATOM 0 H ILE A 65 -12.509 -0.517 3.489 1.00 0.26 H new ATOM 0 HA ILE A 65 -12.721 -3.304 2.897 1.00 0.24 H new ATOM 0 HB ILE A 65 -10.869 -1.111 1.894 1.00 0.23 H new ATOM 0 HG12 ILE A 65 -13.061 -0.560 1.247 1.00 0.38 H new ATOM 0 HG13 ILE A 65 -12.367 -1.359 -0.150 1.00 0.38 H new ATOM 0 HG21 ILE A 65 -10.348 -2.630 0.052 1.00 0.26 H new ATOM 0 HG22 ILE A 65 -9.825 -3.286 1.622 1.00 0.26 H new ATOM 0 HG23 ILE A 65 -11.297 -3.912 0.841 1.00 0.26 H new ATOM 0 HD11 ILE A 65 -14.657 -2.111 0.241 1.00 0.50 H new ATOM 0 HD12 ILE A 65 -13.512 -3.455 0.463 1.00 0.50 H new ATOM 0 HD13 ILE A 65 -14.217 -2.643 1.881 1.00 0.50 H new ATOM 1049 N ALA A 66 -10.011 -2.136 4.411 1.00 0.25 N ATOM 1050 CA ALA A 66 -8.934 -2.517 5.319 1.00 0.26 C ATOM 1051 C ALA A 66 -9.532 -3.181 6.546 1.00 0.24 C ATOM 1052 O ALA A 66 -8.967 -4.103 7.115 1.00 0.26 O ATOM 1053 CB ALA A 66 -8.112 -1.301 5.721 1.00 0.28 C ATOM 0 H ALA A 66 -10.071 -1.135 4.225 1.00 0.25 H new ATOM 0 HA ALA A 66 -8.269 -3.217 4.813 1.00 0.26 H new ATOM 0 HB1 ALA A 66 -7.315 -1.608 6.398 1.00 0.28 H new ATOM 0 HB2 ALA A 66 -7.677 -0.846 4.831 1.00 0.28 H new ATOM 0 HB3 ALA A 66 -8.755 -0.577 6.222 1.00 0.28 H new ATOM 1059 N LYS A 67 -10.696 -2.688 6.925 1.00 0.23 N ATOM 1060 CA LYS A 67 -11.512 -3.289 7.968 1.00 0.23 C ATOM 1061 C LYS A 67 -11.797 -4.765 7.669 1.00 0.24 C ATOM 1062 O LYS A 67 -11.596 -5.632 8.514 1.00 0.29 O ATOM 1063 CB LYS A 67 -12.803 -2.473 8.064 1.00 0.26 C ATOM 1064 CG LYS A 67 -14.078 -3.258 8.277 1.00 0.38 C ATOM 1065 CD LYS A 67 -14.305 -3.565 9.742 1.00 0.41 C ATOM 1066 CE LYS A 67 -15.628 -2.984 10.201 1.00 0.72 C ATOM 1067 NZ LYS A 67 -15.853 -3.192 11.656 1.00 1.05 N ATOM 0 H LYS A 67 -11.108 -1.850 6.514 1.00 0.23 H new ATOM 0 HA LYS A 67 -10.986 -3.270 8.922 1.00 0.23 H new ATOM 0 HB2 LYS A 67 -12.698 -1.762 8.884 1.00 0.26 H new ATOM 0 HB3 LYS A 67 -12.909 -1.891 7.149 1.00 0.26 H new ATOM 0 HG2 LYS A 67 -14.924 -2.691 7.888 1.00 0.38 H new ATOM 0 HG3 LYS A 67 -14.031 -4.189 7.712 1.00 0.38 H new ATOM 0 HD2 LYS A 67 -14.299 -4.643 9.900 1.00 0.41 H new ATOM 0 HD3 LYS A 67 -13.492 -3.151 10.338 1.00 0.41 H new ATOM 0 HE2 LYS A 67 -15.652 -1.917 9.979 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -16.441 -3.444 9.639 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -16.768 -2.780 11.928 1.00 1.05 H new ATOM 0 HZ2 LYS A 67 -15.856 -4.211 11.865 1.00 1.05 H new ATOM 0 HZ3 LYS A 67 -15.092 -2.731 12.194 1.00 1.05 H new ATOM 1081 N ARG A 68 -12.236 -5.042 6.456 1.00 0.22 N ATOM 1082 CA ARG A 68 -12.550 -6.401 6.041 1.00 0.23 C ATOM 1083 C ARG A 68 -11.264 -7.182 5.806 1.00 0.24 C ATOM 1084 O ARG A 68 -11.228 -8.404 5.922 1.00 0.29 O ATOM 1085 CB ARG A 68 -13.411 -6.363 4.782 1.00 0.25 C ATOM 1086 CG ARG A 68 -14.736 -5.644 4.989 1.00 0.28 C ATOM 1087 CD ARG A 68 -15.350 -5.210 3.668 1.00 0.30 C ATOM 1088 NE ARG A 68 -16.586 -4.449 3.855 1.00 0.84 N ATOM 1089 CZ ARG A 68 -17.665 -4.567 3.081 1.00 0.93 C ATOM 1090 NH1 ARG A 68 -17.689 -5.444 2.085 1.00 0.68 N ATOM 1091 NH2 ARG A 68 -18.724 -3.808 3.313 1.00 1.58 N ATOM 0 H ARG A 68 -12.385 -4.338 5.733 1.00 0.22 H new ATOM 0 HA ARG A 68 -13.111 -6.906 6.827 1.00 0.23 H new ATOM 0 HB2 ARG A 68 -12.857 -5.869 3.984 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -13.605 -7.383 4.451 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -15.429 -6.301 5.514 1.00 0.28 H new ATOM 0 HG3 ARG A 68 -14.582 -4.771 5.623 1.00 0.28 H new ATOM 0 HD2 ARG A 68 -14.631 -4.603 3.118 1.00 0.30 H new ATOM 0 HD3 ARG A 68 -15.556 -6.090 3.059 1.00 0.30 H new ATOM 0 HE ARG A 68 -16.624 -3.785 4.628 1.00 0.84 H new ATOM 0 HH11 ARG A 68 -16.877 -6.035 1.906 1.00 0.68 H new ATOM 0 HH12 ARG A 68 -18.519 -5.527 1.498 1.00 0.68 H new ATOM 0 HH21 ARG A 68 -18.712 -3.137 4.081 1.00 1.58 H new ATOM 0 HH22 ARG A 68 -19.552 -3.894 2.724 1.00 1.58 H new ATOM 1105 N MET A 69 -10.208 -6.454 5.490 1.00 0.23 N ATOM 1106 CA MET A 69 -8.879 -7.028 5.365 1.00 0.26 C ATOM 1107 C MET A 69 -8.313 -7.353 6.743 1.00 0.18 C ATOM 1108 O MET A 69 -7.513 -8.267 6.887 1.00 0.19 O ATOM 1109 CB MET A 69 -7.941 -6.059 4.647 1.00 0.42 C ATOM 1110 CG MET A 69 -8.055 -6.044 3.129 1.00 0.60 C ATOM 1111 SD MET A 69 -7.242 -4.584 2.442 1.00 2.21 S ATOM 1112 CE MET A 69 -7.551 -4.791 0.697 1.00 3.06 C ATOM 0 H MET A 69 -10.247 -5.450 5.313 1.00 0.23 H new ATOM 0 HA MET A 69 -8.958 -7.945 4.781 1.00 0.26 H new ATOM 0 HB2 MET A 69 -8.132 -5.052 5.019 1.00 0.42 H new ATOM 0 HB3 MET A 69 -6.914 -6.308 4.915 1.00 0.42 H new ATOM 0 HG2 MET A 69 -7.603 -6.946 2.716 1.00 0.60 H new ATOM 0 HG3 MET A 69 -9.105 -6.052 2.838 1.00 0.60 H new ATOM 0 HE1 MET A 69 -6.745 -4.328 0.127 1.00 3.06 H new ATOM 0 HE2 MET A 69 -7.599 -5.854 0.460 1.00 3.06 H new ATOM 0 HE3 MET A 69 -8.498 -4.318 0.437 1.00 3.06 H new ATOM 1122 N LYS A 70 -8.712 -6.599 7.764 1.00 0.19 N ATOM 1123 CA LYS A 70 -8.306 -6.918 9.121 1.00 0.20 C ATOM 1124 C LYS A 70 -9.205 -8.016 9.663 1.00 0.19 C ATOM 1125 O LYS A 70 -8.868 -8.702 10.623 1.00 0.23 O ATOM 1126 CB LYS A 70 -8.311 -5.694 10.050 1.00 0.27 C ATOM 1127 CG LYS A 70 -9.613 -5.473 10.801 1.00 0.34 C ATOM 1128 CD LYS A 70 -9.398 -4.674 12.074 1.00 0.40 C ATOM 1129 CE LYS A 70 -8.373 -5.319 12.993 1.00 0.47 C ATOM 1130 NZ LYS A 70 -7.982 -4.418 14.111 1.00 0.75 N ATOM 0 H LYS A 70 -9.307 -5.775 7.676 1.00 0.19 H new ATOM 0 HA LYS A 70 -7.273 -7.265 9.089 1.00 0.20 H new ATOM 0 HB2 LYS A 70 -7.503 -5.801 10.774 1.00 0.27 H new ATOM 0 HB3 LYS A 70 -8.093 -4.805 9.458 1.00 0.27 H new ATOM 0 HG2 LYS A 70 -10.320 -4.949 10.158 1.00 0.34 H new ATOM 0 HG3 LYS A 70 -10.059 -6.437 11.047 1.00 0.34 H new ATOM 0 HD2 LYS A 70 -9.070 -3.667 11.817 1.00 0.40 H new ATOM 0 HD3 LYS A 70 -10.346 -4.575 12.603 1.00 0.40 H new ATOM 0 HE2 LYS A 70 -8.782 -6.244 13.399 1.00 0.47 H new ATOM 0 HE3 LYS A 70 -7.487 -5.587 12.417 1.00 0.47 H new ATOM 0 HZ1 LYS A 70 -7.389 -4.941 14.787 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -7.448 -3.609 13.734 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -8.836 -4.074 14.594 1.00 0.75 H new ATOM 1144 N VAL A 71 -10.351 -8.178 9.035 1.00 0.19 N ATOM 1145 CA VAL A 71 -11.189 -9.330 9.299 1.00 0.23 C ATOM 1146 C VAL A 71 -10.626 -10.553 8.567 1.00 0.27 C ATOM 1147 O VAL A 71 -10.777 -11.690 9.014 1.00 0.32 O ATOM 1148 CB VAL A 71 -12.656 -9.055 8.879 1.00 0.25 C ATOM 1149 CG1 VAL A 71 -13.493 -10.327 8.905 1.00 0.32 C ATOM 1150 CG2 VAL A 71 -13.275 -8.003 9.788 1.00 0.25 C ATOM 0 H VAL A 71 -10.723 -7.530 8.341 1.00 0.19 H new ATOM 0 HA VAL A 71 -11.189 -9.531 10.370 1.00 0.23 H new ATOM 0 HB VAL A 71 -12.644 -8.683 7.854 1.00 0.25 H new ATOM 0 HG11 VAL A 71 -14.515 -10.096 8.605 1.00 0.32 H new ATOM 0 HG12 VAL A 71 -13.068 -11.056 8.215 1.00 0.32 H new ATOM 0 HG13 VAL A 71 -13.495 -10.740 9.914 1.00 0.32 H new ATOM 0 HG21 VAL A 71 -14.305 -7.819 9.483 1.00 0.25 H new ATOM 0 HG22 VAL A 71 -13.260 -8.358 10.818 1.00 0.25 H new ATOM 0 HG23 VAL A 71 -12.704 -7.077 9.715 1.00 0.25 H new ATOM 1160 N ILE A 72 -9.939 -10.296 7.459 1.00 0.25 N ATOM 1161 CA ILE A 72 -9.368 -11.354 6.636 1.00 0.30 C ATOM 1162 C ILE A 72 -7.930 -11.711 7.065 1.00 0.29 C ATOM 1163 O ILE A 72 -7.492 -12.853 6.900 1.00 0.40 O ATOM 1164 CB ILE A 72 -9.413 -10.951 5.129 1.00 0.34 C ATOM 1165 CG1 ILE A 72 -10.211 -11.984 4.320 1.00 0.59 C ATOM 1166 CG2 ILE A 72 -8.023 -10.763 4.536 1.00 0.33 C ATOM 1167 CD1 ILE A 72 -9.659 -13.393 4.401 1.00 1.11 C ATOM 0 H ILE A 72 -9.763 -9.354 7.108 1.00 0.25 H new ATOM 0 HA ILE A 72 -9.975 -12.248 6.782 1.00 0.30 H new ATOM 0 HB ILE A 72 -9.917 -9.986 5.070 1.00 0.34 H new ATOM 0 HG12 ILE A 72 -11.242 -11.988 4.673 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -10.233 -11.673 3.275 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -8.110 -10.483 3.486 1.00 0.33 H new ATOM 0 HG22 ILE A 72 -7.499 -9.976 5.079 1.00 0.33 H new ATOM 0 HG23 ILE A 72 -7.463 -11.695 4.618 1.00 0.33 H new ATOM 0 HD11 ILE A 72 -10.279 -14.061 3.803 1.00 1.11 H new ATOM 0 HD12 ILE A 72 -8.638 -13.406 4.020 1.00 1.11 H new ATOM 0 HD13 ILE A 72 -9.663 -13.726 5.439 1.00 1.11 H new ATOM 1179 N ASP A 73 -7.202 -10.747 7.621 1.00 0.21 N ATOM 1180 CA ASP A 73 -5.786 -10.947 7.944 1.00 0.21 C ATOM 1181 C ASP A 73 -5.383 -10.178 9.209 1.00 0.22 C ATOM 1182 O ASP A 73 -4.333 -10.439 9.800 1.00 0.26 O ATOM 1183 CB ASP A 73 -4.924 -10.494 6.759 1.00 0.23 C ATOM 1184 CG ASP A 73 -3.490 -10.984 6.841 1.00 0.30 C ATOM 1185 OD1 ASP A 73 -3.217 -12.116 6.407 1.00 0.48 O ATOM 1186 OD2 ASP A 73 -2.635 -10.237 7.368 1.00 0.29 O ATOM 0 H ASP A 73 -7.563 -9.823 7.858 1.00 0.21 H new ATOM 0 HA ASP A 73 -5.625 -12.008 8.136 1.00 0.21 H new ATOM 0 HB2 ASP A 73 -5.372 -10.855 5.833 1.00 0.23 H new ATOM 0 HB3 ASP A 73 -4.927 -9.405 6.711 1.00 0.23 H new ATOM 1191 N GLU A 74 -6.228 -9.227 9.606 1.00 0.22 N ATOM 1192 CA GLU A 74 -6.014 -8.384 10.798 1.00 0.35 C ATOM 1193 C GLU A 74 -4.924 -7.323 10.594 1.00 0.43 C ATOM 1194 O GLU A 74 -4.919 -6.308 11.287 1.00 0.98 O ATOM 1195 CB GLU A 74 -5.714 -9.223 12.037 1.00 0.44 C ATOM 1196 CG GLU A 74 -5.736 -8.405 13.313 1.00 0.62 C ATOM 1197 CD GLU A 74 -5.170 -9.147 14.500 1.00 0.80 C ATOM 1198 OE1 GLU A 74 -3.971 -9.494 14.467 1.00 0.92 O ATOM 1199 OE2 GLU A 74 -5.914 -9.365 15.478 1.00 1.00 O ATOM 0 H GLU A 74 -7.092 -9.012 9.108 1.00 0.22 H new ATOM 0 HA GLU A 74 -6.953 -7.854 10.957 1.00 0.35 H new ATOM 0 HB2 GLU A 74 -6.446 -10.027 12.113 1.00 0.44 H new ATOM 0 HB3 GLU A 74 -4.736 -9.691 11.926 1.00 0.44 H new ATOM 0 HG2 GLU A 74 -5.167 -7.488 13.160 1.00 0.62 H new ATOM 0 HG3 GLU A 74 -6.762 -8.111 13.531 1.00 0.62 H new ATOM 1206 N ASN A 75 -4.016 -7.550 9.652 1.00 0.18 N ATOM 1207 CA ASN A 75 -2.960 -6.591 9.332 1.00 0.22 C ATOM 1208 C ASN A 75 -2.235 -7.033 8.084 1.00 0.19 C ATOM 1209 O ASN A 75 -1.101 -7.500 8.113 1.00 0.24 O ATOM 1210 CB ASN A 75 -1.982 -6.362 10.497 1.00 0.31 C ATOM 1211 CG ASN A 75 -1.381 -7.639 11.062 1.00 0.35 C ATOM 1212 OD1 ASN A 75 -0.297 -8.066 10.666 1.00 0.41 O ATOM 1213 ND2 ASN A 75 -2.084 -8.253 11.998 1.00 0.37 N ATOM 0 H ASN A 75 -3.989 -8.400 9.089 1.00 0.18 H new ATOM 0 HA ASN A 75 -3.435 -5.627 9.152 1.00 0.22 H new ATOM 0 HB2 ASN A 75 -1.175 -5.712 10.158 1.00 0.31 H new ATOM 0 HB3 ASN A 75 -2.502 -5.833 11.296 1.00 0.31 H new ATOM 0 HD21 ASN A 75 -1.732 -9.113 12.419 1.00 0.37 H new ATOM 0 HD22 ASN A 75 -2.979 -7.867 12.299 1.00 0.37 H new ATOM 1220 N ILE A 76 -2.922 -6.861 6.979 1.00 0.21 N ATOM 1221 CA ILE A 76 -2.395 -7.194 5.667 1.00 0.23 C ATOM 1222 C ILE A 76 -1.352 -6.146 5.238 1.00 0.21 C ATOM 1223 O ILE A 76 -0.930 -6.085 4.085 1.00 0.27 O ATOM 1224 CB ILE A 76 -3.563 -7.313 4.655 1.00 0.30 C ATOM 1225 CG1 ILE A 76 -3.067 -7.707 3.268 1.00 0.49 C ATOM 1226 CG2 ILE A 76 -4.364 -6.027 4.594 1.00 0.35 C ATOM 1227 CD1 ILE A 76 -2.482 -9.092 3.217 1.00 0.83 C ATOM 0 H ILE A 76 -3.869 -6.484 6.960 1.00 0.21 H new ATOM 0 HA ILE A 76 -1.887 -8.158 5.700 1.00 0.23 H new ATOM 0 HB ILE A 76 -4.220 -8.108 5.009 1.00 0.30 H new ATOM 0 HG12 ILE A 76 -3.895 -7.644 2.562 1.00 0.49 H new ATOM 0 HG13 ILE A 76 -2.314 -6.990 2.942 1.00 0.49 H new ATOM 0 HG21 ILE A 76 -5.177 -6.138 3.876 1.00 0.35 H new ATOM 0 HG22 ILE A 76 -4.777 -5.808 5.579 1.00 0.35 H new ATOM 0 HG23 ILE A 76 -3.715 -5.208 4.283 1.00 0.35 H new ATOM 0 HD11 ILE A 76 -2.149 -9.309 2.202 1.00 0.83 H new ATOM 0 HD12 ILE A 76 -1.634 -9.154 3.899 1.00 0.83 H new ATOM 0 HD13 ILE A 76 -3.239 -9.818 3.513 1.00 0.83 H new ATOM 1239 N ARG A 77 -0.915 -5.347 6.214 1.00 0.20 N ATOM 1240 CA ARG A 77 0.128 -4.344 6.022 1.00 0.19 C ATOM 1241 C ARG A 77 -0.367 -3.223 5.128 1.00 0.16 C ATOM 1242 O ARG A 77 0.285 -2.869 4.147 1.00 0.16 O ATOM 1243 CB ARG A 77 1.379 -4.965 5.399 1.00 0.26 C ATOM 1244 CG ARG A 77 1.964 -6.130 6.175 1.00 0.31 C ATOM 1245 CD ARG A 77 2.256 -5.772 7.626 1.00 0.39 C ATOM 1246 NE ARG A 77 3.078 -6.789 8.285 1.00 0.74 N ATOM 1247 CZ ARG A 77 2.702 -8.056 8.487 1.00 1.32 C ATOM 1248 NH1 ARG A 77 1.472 -8.457 8.189 1.00 1.92 N ATOM 1249 NH2 ARG A 77 3.554 -8.912 9.030 1.00 1.62 N ATOM 0 H ARG A 77 -1.280 -5.380 7.166 1.00 0.20 H new ATOM 0 HA ARG A 77 0.381 -3.942 7.003 1.00 0.19 H new ATOM 0 HB2 ARG A 77 1.137 -5.303 4.391 1.00 0.26 H new ATOM 0 HB3 ARG A 77 2.141 -4.192 5.301 1.00 0.26 H new ATOM 0 HG2 ARG A 77 1.270 -6.970 6.143 1.00 0.31 H new ATOM 0 HG3 ARG A 77 2.884 -6.459 5.692 1.00 0.31 H new ATOM 0 HD2 ARG A 77 2.767 -4.810 7.667 1.00 0.39 H new ATOM 0 HD3 ARG A 77 1.317 -5.657 8.168 1.00 0.39 H new ATOM 0 HE ARG A 77 4.003 -6.511 8.613 1.00 0.74 H new ATOM 0 HH11 ARG A 77 0.800 -7.795 7.801 1.00 1.92 H new ATOM 0 HH12 ARG A 77 1.199 -9.427 8.348 1.00 1.92 H new ATOM 0 HH21 ARG A 77 4.490 -8.603 9.291 1.00 1.62 H new ATOM 0 HH22 ARG A 77 3.274 -9.880 9.187 1.00 1.62 H new ATOM 1263 N VAL A 78 -1.522 -2.671 5.455 1.00 0.17 N ATOM 1264 CA VAL A 78 -2.112 -1.651 4.596 1.00 0.17 C ATOM 1265 C VAL A 78 -1.442 -0.283 4.751 1.00 0.16 C ATOM 1266 O VAL A 78 -0.975 0.089 5.824 1.00 0.23 O ATOM 1267 CB VAL A 78 -3.625 -1.471 4.819 1.00 0.18 C ATOM 1268 CG1 VAL A 78 -4.276 -0.921 3.565 1.00 0.40 C ATOM 1269 CG2 VAL A 78 -4.296 -2.759 5.252 1.00 0.35 C ATOM 0 H VAL A 78 -2.062 -2.902 6.289 1.00 0.17 H new ATOM 0 HA VAL A 78 -1.942 -2.027 3.587 1.00 0.17 H new ATOM 0 HB VAL A 78 -3.756 -0.756 5.631 1.00 0.18 H new ATOM 0 HG11 VAL A 78 -5.346 -0.798 3.734 1.00 0.40 H new ATOM 0 HG12 VAL A 78 -3.834 0.045 3.319 1.00 0.40 H new ATOM 0 HG13 VAL A 78 -4.117 -1.614 2.739 1.00 0.40 H new ATOM 0 HG21 VAL A 78 -5.362 -2.583 5.397 1.00 0.35 H new ATOM 0 HG22 VAL A 78 -4.155 -3.519 4.483 1.00 0.35 H new ATOM 0 HG23 VAL A 78 -3.854 -3.103 6.187 1.00 0.35 H new ATOM 1279 N ILE A 79 -1.380 0.428 3.639 1.00 0.13 N ATOM 1280 CA ILE A 79 -1.008 1.823 3.603 1.00 0.14 C ATOM 1281 C ILE A 79 -2.126 2.593 2.924 1.00 0.12 C ATOM 1282 O ILE A 79 -2.253 2.581 1.701 1.00 0.18 O ATOM 1283 CB ILE A 79 0.319 2.072 2.842 1.00 0.19 C ATOM 1284 CG1 ILE A 79 1.520 1.482 3.580 1.00 0.27 C ATOM 1285 CG2 ILE A 79 0.536 3.555 2.602 1.00 0.24 C ATOM 1286 CD1 ILE A 79 1.695 -0.003 3.373 1.00 0.45 C ATOM 0 H ILE A 79 -1.592 0.040 2.720 1.00 0.13 H new ATOM 0 HA ILE A 79 -0.853 2.158 4.629 1.00 0.14 H new ATOM 0 HB ILE A 79 0.233 1.565 1.881 1.00 0.19 H new ATOM 0 HG12 ILE A 79 2.424 1.994 3.250 1.00 0.27 H new ATOM 0 HG13 ILE A 79 1.412 1.680 4.646 1.00 0.27 H new ATOM 0 HG21 ILE A 79 1.474 3.704 2.066 1.00 0.24 H new ATOM 0 HG22 ILE A 79 -0.288 3.952 2.009 1.00 0.24 H new ATOM 0 HG23 ILE A 79 0.578 4.076 3.558 1.00 0.24 H new ATOM 0 HD11 ILE A 79 2.568 -0.347 3.928 1.00 0.45 H new ATOM 0 HD12 ILE A 79 0.808 -0.527 3.729 1.00 0.45 H new ATOM 0 HD13 ILE A 79 1.836 -0.208 2.312 1.00 0.45 H new ATOM 1298 N ILE A 80 -2.974 3.212 3.713 1.00 0.13 N ATOM 1299 CA ILE A 80 -4.089 3.953 3.164 1.00 0.15 C ATOM 1300 C ILE A 80 -3.672 5.369 2.793 1.00 0.16 C ATOM 1301 O ILE A 80 -3.189 6.136 3.626 1.00 0.17 O ATOM 1302 CB ILE A 80 -5.304 3.951 4.113 1.00 0.16 C ATOM 1303 CG1 ILE A 80 -6.212 5.167 3.863 1.00 0.18 C ATOM 1304 CG2 ILE A 80 -4.858 3.884 5.572 1.00 0.17 C ATOM 1305 CD1 ILE A 80 -7.314 5.308 4.882 1.00 0.22 C ATOM 0 H ILE A 80 -2.915 3.218 4.731 1.00 0.13 H new ATOM 0 HA ILE A 80 -4.401 3.446 2.251 1.00 0.15 H new ATOM 0 HB ILE A 80 -5.890 3.057 3.901 1.00 0.16 H new ATOM 0 HG12 ILE A 80 -5.605 6.072 3.867 1.00 0.18 H new ATOM 0 HG13 ILE A 80 -6.653 5.084 2.870 1.00 0.18 H new ATOM 0 HG21 ILE A 80 -5.734 3.884 6.221 1.00 0.17 H new ATOM 0 HG22 ILE A 80 -4.285 2.971 5.736 1.00 0.17 H new ATOM 0 HG23 ILE A 80 -4.236 4.749 5.802 1.00 0.17 H new ATOM 0 HD11 ILE A 80 -7.917 6.185 4.647 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -7.944 4.419 4.862 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -6.879 5.422 5.875 1.00 0.22 H new ATOM 1317 N MET A 81 -3.838 5.686 1.524 1.00 0.21 N ATOM 1318 CA MET A 81 -3.448 6.971 0.978 1.00 0.23 C ATOM 1319 C MET A 81 -4.590 7.967 1.120 1.00 0.20 C ATOM 1320 O MET A 81 -5.747 7.623 0.911 1.00 0.23 O ATOM 1321 CB MET A 81 -3.076 6.790 -0.491 1.00 0.32 C ATOM 1322 CG MET A 81 -2.076 5.671 -0.719 1.00 0.38 C ATOM 1323 SD MET A 81 -1.891 5.227 -2.458 1.00 0.63 S ATOM 1324 CE MET A 81 -1.511 6.816 -3.189 1.00 1.09 C ATOM 0 H MET A 81 -4.250 5.054 0.838 1.00 0.21 H new ATOM 0 HA MET A 81 -2.588 7.360 1.524 1.00 0.23 H new ATOM 0 HB2 MET A 81 -3.979 6.585 -1.066 1.00 0.32 H new ATOM 0 HB3 MET A 81 -2.661 7.723 -0.872 1.00 0.32 H new ATOM 0 HG2 MET A 81 -1.106 5.972 -0.322 1.00 0.38 H new ATOM 0 HG3 MET A 81 -2.391 4.791 -0.157 1.00 0.38 H new ATOM 0 HE1 MET A 81 -0.807 6.680 -4.010 1.00 1.09 H new ATOM 0 HE2 MET A 81 -2.426 7.271 -3.568 1.00 1.09 H new ATOM 0 HE3 MET A 81 -1.068 7.467 -2.435 1.00 1.09 H new ATOM 1334 N THR A 82 -4.267 9.186 1.522 1.00 0.20 N ATOM 1335 CA THR A 82 -5.268 10.236 1.670 1.00 0.20 C ATOM 1336 C THR A 82 -4.787 11.501 0.965 1.00 0.19 C ATOM 1337 O THR A 82 -3.682 11.526 0.444 1.00 0.20 O ATOM 1338 CB THR A 82 -5.568 10.525 3.170 1.00 0.29 C ATOM 1339 OG1 THR A 82 -5.096 11.825 3.551 1.00 0.82 O ATOM 1340 CG2 THR A 82 -4.923 9.488 4.080 1.00 0.53 C ATOM 0 H THR A 82 -3.317 9.475 1.753 1.00 0.20 H new ATOM 0 HA THR A 82 -6.197 9.898 1.211 1.00 0.20 H new ATOM 0 HB THR A 82 -6.651 10.480 3.285 1.00 0.29 H new ATOM 0 HG1 THR A 82 -4.239 11.738 4.019 1.00 0.82 H new ATOM 0 HG21 THR A 82 -5.154 9.722 5.119 1.00 0.53 H new ATOM 0 HG22 THR A 82 -5.310 8.499 3.836 1.00 0.53 H new ATOM 0 HG23 THR A 82 -3.843 9.500 3.937 1.00 0.53 H new ATOM 1348 N ALA A 83 -5.600 12.551 0.938 1.00 0.25 N ATOM 1349 CA ALA A 83 -5.181 13.828 0.354 1.00 0.25 C ATOM 1350 C ALA A 83 -4.192 14.550 1.281 1.00 0.28 C ATOM 1351 O ALA A 83 -4.320 15.746 1.514 1.00 0.55 O ATOM 1352 CB ALA A 83 -6.394 14.706 0.085 1.00 0.31 C ATOM 0 H ALA A 83 -6.549 12.548 1.311 1.00 0.25 H new ATOM 0 HA ALA A 83 -4.678 13.627 -0.592 1.00 0.25 H new ATOM 0 HB1 ALA A 83 -6.070 15.652 -0.349 1.00 0.31 H new ATOM 0 HB2 ALA A 83 -7.063 14.199 -0.610 1.00 0.31 H new ATOM 0 HB3 ALA A 83 -6.919 14.897 1.021 1.00 0.31 H new ATOM 1358 N TYR A 84 -3.206 13.786 1.768 1.00 0.45 N ATOM 1359 CA TYR A 84 -2.209 14.175 2.793 1.00 0.45 C ATOM 1360 C TYR A 84 -2.810 14.756 4.085 1.00 0.61 C ATOM 1361 O TYR A 84 -2.195 14.674 5.144 1.00 1.31 O ATOM 1362 CB TYR A 84 -1.098 15.082 2.226 1.00 0.47 C ATOM 1363 CG TYR A 84 -1.504 16.501 1.873 1.00 0.94 C ATOM 1364 CD1 TYR A 84 -1.650 17.468 2.859 1.00 0.98 C ATOM 1365 CD2 TYR A 84 -1.768 16.864 0.556 1.00 1.82 C ATOM 1366 CE1 TYR A 84 -2.036 18.755 2.542 1.00 1.61 C ATOM 1367 CE2 TYR A 84 -2.152 18.150 0.234 1.00 2.58 C ATOM 1368 CZ TYR A 84 -2.206 19.112 1.220 1.00 2.42 C ATOM 1369 OH TYR A 84 -2.675 20.375 0.918 1.00 3.19 O ATOM 0 H TYR A 84 -3.069 12.828 1.446 1.00 0.45 H new ATOM 0 HA TYR A 84 -1.749 13.232 3.088 1.00 0.45 H new ATOM 0 HB2 TYR A 84 -0.289 15.129 2.955 1.00 0.47 H new ATOM 0 HB3 TYR A 84 -0.694 14.609 1.331 1.00 0.47 H new ATOM 0 HD1 TYR A 84 -1.459 17.209 3.890 1.00 0.98 H new ATOM 0 HD2 TYR A 84 -1.671 16.127 -0.227 1.00 1.82 H new ATOM 0 HE1 TYR A 84 -2.204 19.479 3.325 1.00 1.61 H new ATOM 0 HE2 TYR A 84 -2.409 18.401 -0.785 1.00 2.58 H new ATOM 0 HH TYR A 84 -2.740 20.476 -0.055 1.00 3.19 H new ATOM 1379 N GLY A 85 -3.997 15.315 4.003 1.00 0.56 N ATOM 1380 CA GLY A 85 -4.654 15.859 5.171 1.00 0.62 C ATOM 1381 C GLY A 85 -6.104 15.439 5.241 1.00 0.62 C ATOM 1382 O GLY A 85 -6.862 15.937 6.070 1.00 0.75 O ATOM 0 H GLY A 85 -4.528 15.405 3.137 1.00 0.56 H new ATOM 0 HA2 GLY A 85 -4.135 15.526 6.069 1.00 0.62 H new ATOM 0 HA3 GLY A 85 -4.590 16.947 5.151 1.00 0.62 H new ATOM 1386 N GLU A 86 -6.487 14.514 4.364 1.00 0.51 N ATOM 1387 CA GLU A 86 -7.856 14.016 4.327 1.00 0.53 C ATOM 1388 C GLU A 86 -8.138 13.141 5.546 1.00 0.51 C ATOM 1389 O GLU A 86 -8.817 13.567 6.479 1.00 0.59 O ATOM 1390 CB GLU A 86 -8.096 13.218 3.048 1.00 0.51 C ATOM 1391 CG GLU A 86 -9.550 12.853 2.824 1.00 0.59 C ATOM 1392 CD GLU A 86 -10.386 14.042 2.418 1.00 0.62 C ATOM 1393 OE1 GLU A 86 -10.828 14.795 3.306 1.00 0.95 O ATOM 1394 OE2 GLU A 86 -10.595 14.230 1.203 1.00 1.12 O ATOM 0 H GLU A 86 -5.867 14.095 3.670 1.00 0.51 H new ATOM 0 HA GLU A 86 -8.533 14.870 4.343 1.00 0.53 H new ATOM 0 HB2 GLU A 86 -7.740 13.797 2.196 1.00 0.51 H new ATOM 0 HB3 GLU A 86 -7.502 12.305 3.083 1.00 0.51 H new ATOM 0 HG2 GLU A 86 -9.614 12.086 2.052 1.00 0.59 H new ATOM 0 HG3 GLU A 86 -9.958 12.420 3.737 1.00 0.59 H new ATOM 1401 N LEU A 87 -7.586 11.926 5.536 1.00 0.42 N ATOM 1402 CA LEU A 87 -7.715 10.994 6.658 1.00 0.42 C ATOM 1403 C LEU A 87 -9.176 10.768 7.050 1.00 0.49 C ATOM 1404 O LEU A 87 -9.603 11.146 8.140 1.00 0.63 O ATOM 1405 CB LEU A 87 -6.903 11.482 7.870 1.00 0.45 C ATOM 1406 CG LEU A 87 -5.375 11.417 7.720 1.00 0.45 C ATOM 1407 CD1 LEU A 87 -4.855 12.545 6.845 1.00 0.47 C ATOM 1408 CD2 LEU A 87 -4.707 11.453 9.085 1.00 0.52 C ATOM 0 H LEU A 87 -7.040 11.562 4.755 1.00 0.42 H new ATOM 0 HA LEU A 87 -7.312 10.037 6.328 1.00 0.42 H new ATOM 0 HB2 LEU A 87 -7.185 12.513 8.081 1.00 0.45 H new ATOM 0 HB3 LEU A 87 -7.190 10.889 8.738 1.00 0.45 H new ATOM 0 HG LEU A 87 -5.127 10.475 7.231 1.00 0.45 H new ATOM 0 HD11 LEU A 87 -3.771 12.469 6.760 1.00 0.47 H new ATOM 0 HD12 LEU A 87 -5.303 12.473 5.854 1.00 0.47 H new ATOM 0 HD13 LEU A 87 -5.118 13.503 7.293 1.00 0.47 H new ATOM 0 HD21 LEU A 87 -3.625 11.406 8.962 1.00 0.52 H new ATOM 0 HD22 LEU A 87 -4.974 12.378 9.597 1.00 0.52 H new ATOM 0 HD23 LEU A 87 -5.042 10.601 9.677 1.00 0.52 H new ATOM 1420 N ASP A 88 -9.941 10.156 6.153 1.00 0.60 N ATOM 1421 CA ASP A 88 -11.335 9.816 6.442 1.00 0.71 C ATOM 1422 C ASP A 88 -11.390 8.484 7.147 1.00 0.77 C ATOM 1423 O ASP A 88 -10.981 7.478 6.570 1.00 1.71 O ATOM 1424 CB ASP A 88 -12.158 9.696 5.168 1.00 0.91 C ATOM 1425 CG ASP A 88 -13.648 9.800 5.434 1.00 1.10 C ATOM 1426 OD1 ASP A 88 -14.117 10.891 5.814 1.00 1.18 O ATOM 1427 OD2 ASP A 88 -14.358 8.785 5.258 1.00 1.52 O ATOM 0 H ASP A 88 -9.624 9.885 5.222 1.00 0.60 H new ATOM 0 HA ASP A 88 -11.745 10.613 7.062 1.00 0.71 H new ATOM 0 HB2 ASP A 88 -11.860 10.479 4.470 1.00 0.91 H new ATOM 0 HB3 ASP A 88 -11.943 8.742 4.687 1.00 0.91 H new ATOM 1432 N MET A 89 -11.860 8.475 8.395 1.00 0.63 N ATOM 1433 CA MET A 89 -11.990 7.236 9.152 1.00 0.55 C ATOM 1434 C MET A 89 -10.618 6.559 9.269 1.00 0.45 C ATOM 1435 O MET A 89 -10.504 5.366 9.556 1.00 0.47 O ATOM 1436 CB MET A 89 -13.003 6.347 8.436 1.00 0.73 C ATOM 1437 CG MET A 89 -13.594 5.261 9.303 1.00 0.82 C ATOM 1438 SD MET A 89 -14.701 5.904 10.572 1.00 1.55 S ATOM 1439 CE MET A 89 -15.931 6.730 9.564 1.00 2.18 C ATOM 0 H MET A 89 -12.155 9.311 8.899 1.00 0.63 H new ATOM 0 HA MET A 89 -12.345 7.429 10.164 1.00 0.55 H new ATOM 0 HB2 MET A 89 -13.811 6.971 8.053 1.00 0.73 H new ATOM 0 HB3 MET A 89 -12.520 5.886 7.574 1.00 0.73 H new ATOM 0 HG2 MET A 89 -14.140 4.557 8.674 1.00 0.82 H new ATOM 0 HG3 MET A 89 -12.787 4.704 9.779 1.00 0.82 H new ATOM 0 HE1 MET A 89 -16.918 6.586 10.003 1.00 2.18 H new ATOM 0 HE2 MET A 89 -15.707 7.796 9.517 1.00 2.18 H new ATOM 0 HE3 MET A 89 -15.917 6.312 8.558 1.00 2.18 H new ATOM 1449 N ILE A 90 -9.580 7.370 9.064 1.00 0.37 N ATOM 1450 CA ILE A 90 -8.204 6.916 8.984 1.00 0.31 C ATOM 1451 C ILE A 90 -7.730 6.249 10.273 1.00 0.27 C ATOM 1452 O ILE A 90 -6.898 5.351 10.242 1.00 0.27 O ATOM 1453 CB ILE A 90 -7.279 8.111 8.639 1.00 0.31 C ATOM 1454 CG1 ILE A 90 -6.398 7.755 7.454 1.00 0.38 C ATOM 1455 CG2 ILE A 90 -6.431 8.544 9.835 1.00 0.29 C ATOM 1456 CD1 ILE A 90 -5.438 6.613 7.714 1.00 0.42 C ATOM 0 H ILE A 90 -9.681 8.378 8.948 1.00 0.37 H new ATOM 0 HA ILE A 90 -8.156 6.164 8.197 1.00 0.31 H new ATOM 0 HB ILE A 90 -7.911 8.959 8.375 1.00 0.31 H new ATOM 0 HG12 ILE A 90 -7.034 7.494 6.608 1.00 0.38 H new ATOM 0 HG13 ILE A 90 -5.826 8.636 7.163 1.00 0.38 H new ATOM 0 HG21 ILE A 90 -5.798 9.384 9.547 1.00 0.29 H new ATOM 0 HG22 ILE A 90 -7.084 8.845 10.654 1.00 0.29 H new ATOM 0 HG23 ILE A 90 -5.805 7.712 10.157 1.00 0.29 H new ATOM 0 HD11 ILE A 90 -4.847 6.423 6.818 1.00 0.42 H new ATOM 0 HD12 ILE A 90 -4.774 6.876 8.538 1.00 0.42 H new ATOM 0 HD13 ILE A 90 -6.001 5.716 7.974 1.00 0.42 H new ATOM 1468 N GLN A 91 -8.265 6.688 11.391 1.00 0.29 N ATOM 1469 CA GLN A 91 -7.793 6.227 12.692 1.00 0.31 C ATOM 1470 C GLN A 91 -8.108 4.749 12.881 1.00 0.31 C ATOM 1471 O GLN A 91 -7.213 3.927 13.130 1.00 0.32 O ATOM 1472 CB GLN A 91 -8.415 7.076 13.795 1.00 0.39 C ATOM 1473 CG GLN A 91 -8.062 8.550 13.670 1.00 0.45 C ATOM 1474 CD GLN A 91 -6.583 8.814 13.874 1.00 1.35 C ATOM 1475 OE1 GLN A 91 -5.907 8.100 14.616 1.00 2.14 O ATOM 1476 NE2 GLN A 91 -6.069 9.840 13.215 1.00 2.10 N ATOM 0 H GLN A 91 -9.028 7.364 11.433 1.00 0.29 H new ATOM 0 HA GLN A 91 -6.710 6.340 12.743 1.00 0.31 H new ATOM 0 HB2 GLN A 91 -9.499 6.962 13.768 1.00 0.39 H new ATOM 0 HB3 GLN A 91 -8.080 6.707 14.764 1.00 0.39 H new ATOM 0 HG2 GLN A 91 -8.359 8.909 12.684 1.00 0.45 H new ATOM 0 HG3 GLN A 91 -8.634 9.120 14.402 1.00 0.45 H new ATOM 0 HE21 GLN A 91 -6.663 10.407 12.610 1.00 2.10 H new ATOM 0 HE22 GLN A 91 -5.079 10.064 13.312 1.00 2.10 H new ATOM 1485 N GLU A 92 -9.375 4.406 12.737 1.00 0.38 N ATOM 1486 CA GLU A 92 -9.774 3.012 12.727 1.00 0.42 C ATOM 1487 C GLU A 92 -9.122 2.302 11.555 1.00 0.34 C ATOM 1488 O GLU A 92 -8.601 1.208 11.706 1.00 0.33 O ATOM 1489 CB GLU A 92 -11.294 2.841 12.662 1.00 0.55 C ATOM 1490 CG GLU A 92 -12.045 3.974 11.984 1.00 0.64 C ATOM 1491 CD GLU A 92 -12.197 5.194 12.867 1.00 1.21 C ATOM 1492 OE1 GLU A 92 -13.064 5.177 13.764 1.00 1.73 O ATOM 1493 OE2 GLU A 92 -11.459 6.179 12.659 1.00 1.52 O ATOM 0 H GLU A 92 -10.141 5.070 12.626 1.00 0.38 H new ATOM 0 HA GLU A 92 -9.440 2.569 13.665 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -11.517 1.913 12.136 1.00 0.55 H new ATOM 0 HB3 GLU A 92 -11.675 2.731 13.677 1.00 0.55 H new ATOM 0 HG2 GLU A 92 -11.520 4.256 11.071 1.00 0.64 H new ATOM 0 HG3 GLU A 92 -13.033 3.622 11.687 1.00 0.64 H new ATOM 1500 N SER A 93 -9.132 2.949 10.399 1.00 0.32 N ATOM 1501 CA SER A 93 -8.531 2.392 9.192 1.00 0.27 C ATOM 1502 C SER A 93 -7.078 1.951 9.426 1.00 0.21 C ATOM 1503 O SER A 93 -6.676 0.879 8.972 1.00 0.22 O ATOM 1504 CB SER A 93 -8.598 3.397 8.045 1.00 0.33 C ATOM 1505 OG SER A 93 -8.101 2.838 6.841 1.00 0.98 O ATOM 0 H SER A 93 -9.553 3.869 10.269 1.00 0.32 H new ATOM 0 HA SER A 93 -9.107 1.506 8.924 1.00 0.27 H new ATOM 0 HB2 SER A 93 -9.629 3.719 7.900 1.00 0.33 H new ATOM 0 HB3 SER A 93 -8.020 4.285 8.302 1.00 0.33 H new ATOM 0 HG SER A 93 -8.792 2.276 6.432 1.00 0.98 H new ATOM 1511 N LYS A 94 -6.292 2.760 10.140 1.00 0.21 N ATOM 1512 CA LYS A 94 -4.889 2.428 10.365 1.00 0.21 C ATOM 1513 C LYS A 94 -4.719 1.377 11.457 1.00 0.25 C ATOM 1514 O LYS A 94 -3.725 0.662 11.474 1.00 0.31 O ATOM 1515 CB LYS A 94 -4.040 3.657 10.687 1.00 0.23 C ATOM 1516 CG LYS A 94 -4.485 4.407 11.917 1.00 0.30 C ATOM 1517 CD LYS A 94 -3.398 5.330 12.429 1.00 0.43 C ATOM 1518 CE LYS A 94 -2.159 4.538 12.817 1.00 0.65 C ATOM 1519 NZ LYS A 94 -1.131 5.385 13.469 1.00 1.25 N ATOM 0 H LYS A 94 -6.599 3.635 10.565 1.00 0.21 H new ATOM 0 HA LYS A 94 -4.530 2.011 9.424 1.00 0.21 H new ATOM 0 HB2 LYS A 94 -3.004 3.345 10.820 1.00 0.23 H new ATOM 0 HB3 LYS A 94 -4.062 4.335 9.833 1.00 0.23 H new ATOM 0 HG2 LYS A 94 -5.378 4.988 11.687 1.00 0.30 H new ATOM 0 HG3 LYS A 94 -4.759 3.697 12.698 1.00 0.30 H new ATOM 0 HD2 LYS A 94 -3.143 6.061 11.661 1.00 0.43 H new ATOM 0 HD3 LYS A 94 -3.764 5.888 13.291 1.00 0.43 H new ATOM 0 HE2 LYS A 94 -2.443 3.731 13.492 1.00 0.65 H new ATOM 0 HE3 LYS A 94 -1.733 4.074 11.927 1.00 0.65 H new ATOM 0 HZ1 LYS A 94 -0.306 4.802 13.715 1.00 1.25 H new ATOM 0 HZ2 LYS A 94 -0.839 6.140 12.817 1.00 1.25 H new ATOM 0 HZ3 LYS A 94 -1.526 5.808 14.333 1.00 1.25 H new ATOM 1533 N GLU A 95 -5.664 1.280 12.385 1.00 0.30 N ATOM 1534 CA GLU A 95 -5.617 0.183 13.350 1.00 0.44 C ATOM 1535 C GLU A 95 -6.352 -1.040 12.799 1.00 0.51 C ATOM 1536 O GLU A 95 -6.481 -2.070 13.465 1.00 0.66 O ATOM 1537 CB GLU A 95 -6.190 0.590 14.710 1.00 0.49 C ATOM 1538 CG GLU A 95 -7.647 1.005 14.682 1.00 0.44 C ATOM 1539 CD GLU A 95 -8.214 1.175 16.072 1.00 0.59 C ATOM 1540 OE1 GLU A 95 -8.024 2.260 16.662 1.00 0.85 O ATOM 1541 OE2 GLU A 95 -8.868 0.234 16.575 1.00 0.67 O ATOM 0 H GLU A 95 -6.449 1.923 12.491 1.00 0.30 H new ATOM 0 HA GLU A 95 -4.569 -0.073 13.506 1.00 0.44 H new ATOM 0 HB2 GLU A 95 -6.077 -0.245 15.402 1.00 0.49 H new ATOM 0 HB3 GLU A 95 -5.598 1.415 15.107 1.00 0.49 H new ATOM 0 HG2 GLU A 95 -7.747 1.941 14.133 1.00 0.44 H new ATOM 0 HG3 GLU A 95 -8.227 0.256 14.143 1.00 0.44 H new ATOM 1548 N LEU A 96 -6.818 -0.918 11.563 1.00 0.51 N ATOM 1549 CA LEU A 96 -7.561 -1.977 10.905 1.00 0.64 C ATOM 1550 C LEU A 96 -6.688 -2.707 9.889 1.00 0.93 C ATOM 1551 O LEU A 96 -7.032 -2.815 8.717 1.00 1.73 O ATOM 1552 CB LEU A 96 -8.808 -1.396 10.232 1.00 0.53 C ATOM 1553 CG LEU A 96 -10.139 -1.661 10.955 1.00 0.41 C ATOM 1554 CD1 LEU A 96 -10.013 -1.414 12.452 1.00 0.40 C ATOM 1555 CD2 LEU A 96 -11.236 -0.778 10.386 1.00 0.40 C ATOM 0 H LEU A 96 -6.690 -0.083 10.992 1.00 0.51 H new ATOM 0 HA LEU A 96 -7.872 -2.703 11.656 1.00 0.64 H new ATOM 0 HB2 LEU A 96 -8.677 -0.318 10.134 1.00 0.53 H new ATOM 0 HB3 LEU A 96 -8.877 -1.802 9.223 1.00 0.53 H new ATOM 0 HG LEU A 96 -10.397 -2.708 10.797 1.00 0.41 H new ATOM 0 HD11 LEU A 96 -10.970 -1.610 12.935 1.00 0.40 H new ATOM 0 HD12 LEU A 96 -9.254 -2.077 12.868 1.00 0.40 H new ATOM 0 HD13 LEU A 96 -9.724 -0.378 12.627 1.00 0.40 H new ATOM 0 HD21 LEU A 96 -12.172 -0.978 10.908 1.00 0.40 H new ATOM 0 HD22 LEU A 96 -10.964 0.269 10.516 1.00 0.40 H new ATOM 0 HD23 LEU A 96 -11.361 -0.991 9.324 1.00 0.40 H new ATOM 1567 N GLY A 97 -5.542 -3.191 10.347 1.00 0.54 N ATOM 1568 CA GLY A 97 -4.697 -4.026 9.512 1.00 0.69 C ATOM 1569 C GLY A 97 -3.694 -3.242 8.701 1.00 0.61 C ATOM 1570 O GLY A 97 -2.708 -3.791 8.203 1.00 0.88 O ATOM 0 H GLY A 97 -5.180 -3.020 11.285 1.00 0.54 H new ATOM 0 HA2 GLY A 97 -4.166 -4.738 10.143 1.00 0.69 H new ATOM 0 HA3 GLY A 97 -5.326 -4.606 8.836 1.00 0.69 H new ATOM 1574 N ALA A 98 -3.959 -1.969 8.543 1.00 0.32 N ATOM 1575 CA ALA A 98 -3.040 -1.078 7.867 1.00 0.27 C ATOM 1576 C ALA A 98 -1.818 -0.841 8.739 1.00 0.19 C ATOM 1577 O ALA A 98 -1.945 -0.533 9.917 1.00 0.22 O ATOM 1578 CB ALA A 98 -3.737 0.232 7.537 1.00 0.26 C ATOM 0 H ALA A 98 -4.812 -1.520 8.876 1.00 0.32 H new ATOM 0 HA ALA A 98 -2.712 -1.534 6.933 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -3.039 0.897 7.029 1.00 0.26 H new ATOM 0 HB2 ALA A 98 -4.591 0.037 6.888 1.00 0.26 H new ATOM 0 HB3 ALA A 98 -4.082 0.703 8.458 1.00 0.26 H new ATOM 1584 N LEU A 99 -0.633 -1.018 8.181 1.00 0.18 N ATOM 1585 CA LEU A 99 0.576 -0.746 8.937 1.00 0.23 C ATOM 1586 C LEU A 99 0.792 0.763 9.065 1.00 0.26 C ATOM 1587 O LEU A 99 1.463 1.218 9.993 1.00 0.39 O ATOM 1588 CB LEU A 99 1.809 -1.466 8.342 1.00 0.51 C ATOM 1589 CG LEU A 99 2.130 -1.219 6.864 1.00 0.60 C ATOM 1590 CD1 LEU A 99 2.661 0.183 6.637 1.00 1.27 C ATOM 1591 CD2 LEU A 99 3.155 -2.233 6.385 1.00 1.26 C ATOM 0 H LEU A 99 -0.483 -1.343 7.226 1.00 0.18 H new ATOM 0 HA LEU A 99 0.447 -1.153 9.940 1.00 0.23 H new ATOM 0 HB2 LEU A 99 2.682 -1.178 8.928 1.00 0.51 H new ATOM 0 HB3 LEU A 99 1.672 -2.538 8.481 1.00 0.51 H new ATOM 0 HG LEU A 99 1.205 -1.328 6.298 1.00 0.60 H new ATOM 0 HD11 LEU A 99 2.878 0.323 5.578 1.00 1.27 H new ATOM 0 HD12 LEU A 99 1.914 0.911 6.954 1.00 1.27 H new ATOM 0 HD13 LEU A 99 3.574 0.325 7.216 1.00 1.27 H new ATOM 0 HD21 LEU A 99 3.380 -2.054 5.334 1.00 1.26 H new ATOM 0 HD22 LEU A 99 4.067 -2.134 6.974 1.00 1.26 H new ATOM 0 HD23 LEU A 99 2.754 -3.240 6.504 1.00 1.26 H new ATOM 1603 N THR A 100 0.204 1.540 8.145 1.00 0.23 N ATOM 1604 CA THR A 100 0.254 2.999 8.244 1.00 0.28 C ATOM 1605 C THR A 100 -0.577 3.662 7.140 1.00 0.24 C ATOM 1606 O THR A 100 -1.339 2.999 6.434 1.00 0.25 O ATOM 1607 CB THR A 100 1.712 3.535 8.196 1.00 0.36 C ATOM 1608 OG1 THR A 100 1.751 4.888 8.669 1.00 0.42 O ATOM 1609 CG2 THR A 100 2.287 3.483 6.784 1.00 0.34 C ATOM 0 H THR A 100 -0.305 1.186 7.335 1.00 0.23 H new ATOM 0 HA THR A 100 -0.174 3.259 9.212 1.00 0.28 H new ATOM 0 HB THR A 100 2.318 2.894 8.837 1.00 0.36 H new ATOM 0 HG1 THR A 100 2.673 5.219 8.638 1.00 0.42 H new ATOM 0 HG21 THR A 100 3.307 3.866 6.792 1.00 0.34 H new ATOM 0 HG22 THR A 100 2.289 2.452 6.430 1.00 0.34 H new ATOM 0 HG23 THR A 100 1.676 4.094 6.119 1.00 0.34 H new ATOM 1617 N HIS A 101 -0.434 4.976 7.013 1.00 0.29 N ATOM 1618 CA HIS A 101 -1.131 5.736 5.991 1.00 0.28 C ATOM 1619 C HIS A 101 -0.148 6.556 5.167 1.00 0.27 C ATOM 1620 O HIS A 101 0.943 6.892 5.629 1.00 0.35 O ATOM 1621 CB HIS A 101 -2.191 6.661 6.610 1.00 0.32 C ATOM 1622 CG HIS A 101 -1.649 7.744 7.504 1.00 0.42 C ATOM 1623 ND1 HIS A 101 -1.350 9.016 7.058 1.00 1.12 N ATOM 1624 CD2 HIS A 101 -1.380 7.746 8.833 1.00 1.14 C ATOM 1625 CE1 HIS A 101 -0.923 9.747 8.072 1.00 0.93 C ATOM 1626 NE2 HIS A 101 -0.933 9.002 9.158 1.00 0.92 N ATOM 0 H HIS A 101 0.167 5.540 7.615 1.00 0.29 H new ATOM 0 HA HIS A 101 -1.635 5.023 5.338 1.00 0.28 H new ATOM 0 HB2 HIS A 101 -2.759 7.126 5.805 1.00 0.32 H new ATOM 0 HB3 HIS A 101 -2.890 6.053 7.184 1.00 0.32 H new ATOM 0 HD2 HIS A 101 -1.496 6.913 9.511 1.00 1.14 H new ATOM 0 HE1 HIS A 101 -0.617 10.781 8.019 1.00 0.93 H new ATOM 0 HE2 HIS A 101 -0.654 9.309 10.090 1.00 0.92 H new ATOM 1635 N PHE A 102 -0.551 6.876 3.952 1.00 0.25 N ATOM 1636 CA PHE A 102 0.235 7.713 3.061 1.00 0.24 C ATOM 1637 C PHE A 102 -0.692 8.713 2.404 1.00 0.20 C ATOM 1638 O PHE A 102 -1.768 9.010 2.928 1.00 0.21 O ATOM 1639 CB PHE A 102 0.947 6.867 2.004 1.00 0.30 C ATOM 1640 CG PHE A 102 2.368 7.292 1.771 1.00 0.54 C ATOM 1641 CD1 PHE A 102 2.659 8.305 0.873 1.00 0.99 C ATOM 1642 CD2 PHE A 102 3.412 6.673 2.438 1.00 0.85 C ATOM 1643 CE1 PHE A 102 3.964 8.695 0.649 1.00 1.33 C ATOM 1644 CE2 PHE A 102 4.719 7.059 2.217 1.00 1.13 C ATOM 1645 CZ PHE A 102 4.996 8.086 1.359 1.00 1.29 C ATOM 0 H PHE A 102 -1.436 6.562 3.552 1.00 0.25 H new ATOM 0 HA PHE A 102 1.002 8.235 3.632 1.00 0.24 H new ATOM 0 HB2 PHE A 102 0.932 5.822 2.313 1.00 0.30 H new ATOM 0 HB3 PHE A 102 0.396 6.930 1.065 1.00 0.30 H new ATOM 0 HD1 PHE A 102 1.856 8.795 0.342 1.00 0.99 H new ATOM 0 HD2 PHE A 102 3.201 5.879 3.139 1.00 0.85 H new ATOM 0 HE1 PHE A 102 4.184 9.468 -0.073 1.00 1.33 H new ATOM 0 HE2 PHE A 102 5.525 6.548 2.723 1.00 1.13 H new ATOM 0 HZ PHE A 102 6.014 8.425 1.232 1.00 1.29 H new ATOM 1655 N ALA A 103 -0.300 9.221 1.261 1.00 0.22 N ATOM 1656 CA ALA A 103 -1.072 10.240 0.598 1.00 0.23 C ATOM 1657 C ALA A 103 -1.194 9.944 -0.887 1.00 0.31 C ATOM 1658 O ALA A 103 -0.294 9.366 -1.479 1.00 0.47 O ATOM 1659 CB ALA A 103 -0.429 11.599 0.837 1.00 0.34 C ATOM 0 H ALA A 103 0.551 8.944 0.771 1.00 0.22 H new ATOM 0 HA ALA A 103 -2.080 10.251 1.012 1.00 0.23 H new ATOM 0 HB1 ALA A 103 -1.013 12.371 0.335 1.00 0.34 H new ATOM 0 HB2 ALA A 103 -0.399 11.804 1.907 1.00 0.34 H new ATOM 0 HB3 ALA A 103 0.586 11.596 0.440 1.00 0.34 H new ATOM 1665 N LYS A 104 -2.333 10.301 -1.463 1.00 0.26 N ATOM 1666 CA LYS A 104 -2.526 10.254 -2.907 1.00 0.33 C ATOM 1667 C LYS A 104 -1.596 11.264 -3.602 1.00 0.40 C ATOM 1668 O LYS A 104 -1.102 10.996 -4.698 1.00 0.51 O ATOM 1669 CB LYS A 104 -3.999 10.526 -3.239 1.00 0.32 C ATOM 1670 CG LYS A 104 -4.351 10.442 -4.720 1.00 0.53 C ATOM 1671 CD LYS A 104 -4.248 11.798 -5.400 1.00 0.93 C ATOM 1672 CE LYS A 104 -4.720 11.739 -6.842 1.00 1.15 C ATOM 1673 NZ LYS A 104 -4.859 13.100 -7.420 1.00 2.18 N ATOM 0 H LYS A 104 -3.148 10.631 -0.945 1.00 0.26 H new ATOM 0 HA LYS A 104 -2.270 9.261 -3.277 1.00 0.33 H new ATOM 0 HB2 LYS A 104 -4.617 9.813 -2.693 1.00 0.32 H new ATOM 0 HB3 LYS A 104 -4.261 11.519 -2.874 1.00 0.32 H new ATOM 0 HG2 LYS A 104 -3.683 9.736 -5.213 1.00 0.53 H new ATOM 0 HG3 LYS A 104 -5.364 10.055 -4.832 1.00 0.53 H new ATOM 0 HD2 LYS A 104 -4.844 12.527 -4.851 1.00 0.93 H new ATOM 0 HD3 LYS A 104 -3.215 12.143 -5.369 1.00 0.93 H new ATOM 0 HE2 LYS A 104 -4.012 11.160 -7.435 1.00 1.15 H new ATOM 0 HE3 LYS A 104 -5.677 11.220 -6.893 1.00 1.15 H new ATOM 0 HZ1 LYS A 104 -5.183 13.027 -8.406 1.00 2.18 H new ATOM 0 HZ2 LYS A 104 -5.553 13.643 -6.867 1.00 2.18 H new ATOM 0 HZ3 LYS A 104 -3.939 13.584 -7.393 1.00 2.18 H new ATOM 1687 N PRO A 105 -1.386 12.466 -3.008 1.00 0.39 N ATOM 1688 CA PRO A 105 -0.282 13.351 -3.393 1.00 0.50 C ATOM 1689 C PRO A 105 1.070 12.616 -3.355 1.00 0.66 C ATOM 1690 O PRO A 105 1.674 12.380 -4.404 1.00 1.25 O ATOM 1691 CB PRO A 105 -0.334 14.480 -2.341 1.00 0.51 C ATOM 1692 CG PRO A 105 -1.270 13.990 -1.283 1.00 0.60 C ATOM 1693 CD PRO A 105 -2.236 13.098 -1.991 1.00 0.35 C ATOM 0 HA PRO A 105 -0.379 13.720 -4.414 1.00 0.50 H new ATOM 0 HB2 PRO A 105 0.655 14.680 -1.929 1.00 0.51 H new ATOM 0 HB3 PRO A 105 -0.690 15.411 -2.781 1.00 0.51 H new ATOM 0 HG2 PRO A 105 -0.734 13.448 -0.504 1.00 0.60 H new ATOM 0 HG3 PRO A 105 -1.784 14.820 -0.798 1.00 0.60 H new ATOM 0 HD2 PRO A 105 -2.681 12.364 -1.319 1.00 0.35 H new ATOM 0 HD3 PRO A 105 -3.057 13.659 -2.438 1.00 0.35 H new ATOM 1701 N PHE A 106 1.504 12.252 -2.138 1.00 0.50 N ATOM 1702 CA PHE A 106 2.733 11.468 -1.873 1.00 0.65 C ATOM 1703 C PHE A 106 3.997 11.956 -2.595 1.00 0.35 C ATOM 1704 O PHE A 106 3.989 12.890 -3.399 1.00 0.68 O ATOM 1705 CB PHE A 106 2.531 9.958 -2.161 1.00 1.19 C ATOM 1706 CG PHE A 106 2.364 9.561 -3.614 1.00 2.49 C ATOM 1707 CD1 PHE A 106 3.438 9.580 -4.490 1.00 3.00 C ATOM 1708 CD2 PHE A 106 1.134 9.146 -4.092 1.00 3.26 C ATOM 1709 CE1 PHE A 106 3.286 9.201 -5.810 1.00 4.24 C ATOM 1710 CE2 PHE A 106 0.974 8.768 -5.411 1.00 4.50 C ATOM 1711 CZ PHE A 106 2.050 8.796 -6.272 1.00 4.99 C ATOM 0 H PHE A 106 1.001 12.498 -1.286 1.00 0.50 H new ATOM 0 HA PHE A 106 2.907 11.630 -0.809 1.00 0.65 H new ATOM 0 HB2 PHE A 106 3.386 9.417 -1.756 1.00 1.19 H new ATOM 0 HB3 PHE A 106 1.651 9.621 -1.612 1.00 1.19 H new ATOM 0 HD1 PHE A 106 4.408 9.896 -4.136 1.00 3.00 H new ATOM 0 HD2 PHE A 106 0.286 9.117 -3.424 1.00 3.26 H new ATOM 0 HE1 PHE A 106 4.133 9.222 -6.479 1.00 4.24 H new ATOM 0 HE2 PHE A 106 0.005 8.450 -5.768 1.00 4.50 H new ATOM 0 HZ PHE A 106 1.926 8.502 -7.304 1.00 4.99 H new ATOM 1721 N ASP A 107 5.101 11.316 -2.234 1.00 0.40 N ATOM 1722 CA ASP A 107 6.340 11.380 -2.985 1.00 0.37 C ATOM 1723 C ASP A 107 6.638 9.980 -3.487 1.00 0.47 C ATOM 1724 O ASP A 107 6.560 9.027 -2.718 1.00 0.66 O ATOM 1725 CB ASP A 107 7.497 11.874 -2.113 1.00 0.45 C ATOM 1726 CG ASP A 107 7.423 13.353 -1.802 1.00 1.16 C ATOM 1727 OD1 ASP A 107 7.968 14.157 -2.590 1.00 1.67 O ATOM 1728 OD2 ASP A 107 6.835 13.722 -0.763 1.00 1.63 O ATOM 0 H ASP A 107 5.158 10.731 -1.400 1.00 0.40 H new ATOM 0 HA ASP A 107 6.233 12.083 -3.811 1.00 0.37 H new ATOM 0 HB2 ASP A 107 7.504 11.313 -1.178 1.00 0.45 H new ATOM 0 HB3 ASP A 107 8.439 11.663 -2.618 1.00 0.45 H new ATOM 1733 N ILE A 108 6.956 9.843 -4.763 1.00 0.48 N ATOM 1734 CA ILE A 108 7.134 8.525 -5.362 1.00 0.58 C ATOM 1735 C ILE A 108 8.269 7.764 -4.690 1.00 0.50 C ATOM 1736 O ILE A 108 8.085 6.644 -4.203 1.00 0.44 O ATOM 1737 CB ILE A 108 7.403 8.622 -6.879 1.00 0.75 C ATOM 1738 CG1 ILE A 108 6.230 9.317 -7.586 1.00 0.70 C ATOM 1739 CG2 ILE A 108 7.634 7.240 -7.464 1.00 1.04 C ATOM 1740 CD1 ILE A 108 6.322 9.300 -9.099 1.00 1.13 C ATOM 0 H ILE A 108 7.096 10.623 -5.405 1.00 0.48 H new ATOM 0 HA ILE A 108 6.202 7.980 -5.209 1.00 0.58 H new ATOM 0 HB ILE A 108 8.302 9.218 -7.036 1.00 0.75 H new ATOM 0 HG12 ILE A 108 5.300 8.835 -7.284 1.00 0.70 H new ATOM 0 HG13 ILE A 108 6.177 10.352 -7.247 1.00 0.70 H new ATOM 0 HG21 ILE A 108 7.822 7.325 -8.534 1.00 1.04 H new ATOM 0 HG22 ILE A 108 8.495 6.779 -6.980 1.00 1.04 H new ATOM 0 HG23 ILE A 108 6.751 6.623 -7.299 1.00 1.04 H new ATOM 0 HD11 ILE A 108 5.457 9.810 -9.522 1.00 1.13 H new ATOM 0 HD12 ILE A 108 7.233 9.809 -9.414 1.00 1.13 H new ATOM 0 HD13 ILE A 108 6.343 8.269 -9.451 1.00 1.13 H new ATOM 1752 N ASP A 109 9.432 8.389 -4.633 1.00 0.49 N ATOM 1753 CA ASP A 109 10.600 7.774 -4.020 1.00 0.42 C ATOM 1754 C ASP A 109 10.353 7.522 -2.541 1.00 0.34 C ATOM 1755 O ASP A 109 10.869 6.565 -1.977 1.00 0.30 O ATOM 1756 CB ASP A 109 11.835 8.655 -4.222 1.00 0.46 C ATOM 1757 CG ASP A 109 11.718 10.009 -3.553 1.00 0.98 C ATOM 1758 OD1 ASP A 109 11.036 10.893 -4.113 1.00 1.88 O ATOM 1759 OD2 ASP A 109 12.317 10.201 -2.478 1.00 0.89 O ATOM 0 H ASP A 109 9.595 9.325 -5.005 1.00 0.49 H new ATOM 0 HA ASP A 109 10.782 6.814 -4.504 1.00 0.42 H new ATOM 0 HB2 ASP A 109 12.711 8.138 -3.830 1.00 0.46 H new ATOM 0 HB3 ASP A 109 12.001 8.798 -5.290 1.00 0.46 H new ATOM 1764 N GLU A 110 9.519 8.355 -1.933 1.00 0.35 N ATOM 1765 CA GLU A 110 9.180 8.191 -0.527 1.00 0.35 C ATOM 1766 C GLU A 110 8.178 7.061 -0.363 1.00 0.33 C ATOM 1767 O GLU A 110 8.131 6.405 0.670 1.00 0.34 O ATOM 1768 CB GLU A 110 8.611 9.497 0.039 1.00 0.49 C ATOM 1769 CG GLU A 110 8.161 9.405 1.492 1.00 0.62 C ATOM 1770 CD GLU A 110 7.779 10.749 2.069 1.00 1.15 C ATOM 1771 OE1 GLU A 110 8.660 11.625 2.183 1.00 1.71 O ATOM 1772 OE2 GLU A 110 6.589 10.942 2.399 1.00 1.68 O ATOM 0 H GLU A 110 9.067 9.147 -2.389 1.00 0.35 H new ATOM 0 HA GLU A 110 10.085 7.941 0.027 1.00 0.35 H new ATOM 0 HB2 GLU A 110 9.368 10.277 -0.046 1.00 0.49 H new ATOM 0 HB3 GLU A 110 7.764 9.806 -0.573 1.00 0.49 H new ATOM 0 HG2 GLU A 110 7.309 8.728 1.562 1.00 0.62 H new ATOM 0 HG3 GLU A 110 8.963 8.972 2.090 1.00 0.62 H new ATOM 1779 N ILE A 111 7.399 6.815 -1.404 1.00 0.34 N ATOM 1780 CA ILE A 111 6.371 5.797 -1.356 1.00 0.33 C ATOM 1781 C ILE A 111 7.008 4.407 -1.429 1.00 0.28 C ATOM 1782 O ILE A 111 6.682 3.520 -0.631 1.00 0.27 O ATOM 1783 CB ILE A 111 5.317 6.030 -2.478 1.00 0.36 C ATOM 1784 CG1 ILE A 111 3.919 6.129 -1.870 1.00 0.61 C ATOM 1785 CG2 ILE A 111 5.351 4.958 -3.561 1.00 0.69 C ATOM 1786 CD1 ILE A 111 3.467 4.873 -1.159 1.00 1.06 C ATOM 0 H ILE A 111 7.462 7.310 -2.294 1.00 0.34 H new ATOM 0 HA ILE A 111 5.839 5.862 -0.407 1.00 0.33 H new ATOM 0 HB ILE A 111 5.575 6.971 -2.965 1.00 0.36 H new ATOM 0 HG12 ILE A 111 3.898 6.960 -1.165 1.00 0.61 H new ATOM 0 HG13 ILE A 111 3.206 6.363 -2.660 1.00 0.61 H new ATOM 0 HG21 ILE A 111 4.593 5.177 -4.313 1.00 0.69 H new ATOM 0 HG22 ILE A 111 6.335 4.945 -4.030 1.00 0.69 H new ATOM 0 HG23 ILE A 111 5.149 3.984 -3.115 1.00 0.69 H new ATOM 0 HD11 ILE A 111 2.466 5.024 -0.755 1.00 1.06 H new ATOM 0 HD12 ILE A 111 3.453 4.041 -1.863 1.00 1.06 H new ATOM 0 HD13 ILE A 111 4.156 4.648 -0.345 1.00 1.06 H new ATOM 1798 N ARG A 112 7.958 4.239 -2.348 1.00 0.27 N ATOM 1799 CA ARG A 112 8.677 2.979 -2.469 1.00 0.24 C ATOM 1800 C ARG A 112 9.598 2.795 -1.275 1.00 0.22 C ATOM 1801 O ARG A 112 9.728 1.697 -0.746 1.00 0.22 O ATOM 1802 CB ARG A 112 9.479 2.915 -3.772 1.00 0.23 C ATOM 1803 CG ARG A 112 10.439 4.079 -3.965 1.00 0.23 C ATOM 1804 CD ARG A 112 11.139 4.007 -5.310 1.00 0.23 C ATOM 1805 NE ARG A 112 11.723 5.284 -5.715 1.00 0.79 N ATOM 1806 CZ ARG A 112 12.976 5.420 -6.140 1.00 0.82 C ATOM 1807 NH1 ARG A 112 13.774 4.363 -6.207 1.00 1.16 N ATOM 1808 NH2 ARG A 112 13.425 6.610 -6.508 1.00 1.39 N ATOM 0 H ARG A 112 8.244 4.957 -3.014 1.00 0.27 H new ATOM 0 HA ARG A 112 7.946 2.171 -2.490 1.00 0.24 H new ATOM 0 HB2 ARG A 112 10.045 1.983 -3.793 1.00 0.23 H new ATOM 0 HB3 ARG A 112 8.786 2.886 -4.612 1.00 0.23 H new ATOM 0 HG2 ARG A 112 9.893 5.019 -3.888 1.00 0.23 H new ATOM 0 HG3 ARG A 112 11.181 4.076 -3.167 1.00 0.23 H new ATOM 0 HD2 ARG A 112 11.924 3.252 -5.266 1.00 0.23 H new ATOM 0 HD3 ARG A 112 10.426 3.682 -6.068 1.00 0.23 H new ATOM 0 HE ARG A 112 11.137 6.118 -5.669 1.00 0.79 H new ATOM 0 HH11 ARG A 112 13.427 3.444 -5.932 1.00 1.16 H new ATOM 0 HH12 ARG A 112 14.735 4.469 -6.533 1.00 1.16 H new ATOM 0 HH21 ARG A 112 12.810 7.423 -6.466 1.00 1.39 H new ATOM 0 HH22 ARG A 112 14.386 6.714 -6.834 1.00 1.39 H new ATOM 1822 N ASP A 113 10.212 3.889 -0.838 1.00 0.23 N ATOM 1823 CA ASP A 113 11.109 3.849 0.303 1.00 0.24 C ATOM 1824 C ASP A 113 10.350 3.466 1.567 1.00 0.25 C ATOM 1825 O ASP A 113 10.768 2.572 2.299 1.00 0.26 O ATOM 1826 CB ASP A 113 11.800 5.201 0.480 1.00 0.28 C ATOM 1827 CG ASP A 113 12.709 5.238 1.692 1.00 0.39 C ATOM 1828 OD1 ASP A 113 13.626 4.398 1.781 1.00 0.58 O ATOM 1829 OD2 ASP A 113 12.509 6.103 2.567 1.00 0.43 O ATOM 0 H ASP A 113 10.103 4.812 -1.258 1.00 0.23 H new ATOM 0 HA ASP A 113 11.871 3.091 0.120 1.00 0.24 H new ATOM 0 HB2 ASP A 113 12.383 5.427 -0.413 1.00 0.28 H new ATOM 0 HB3 ASP A 113 11.045 5.981 0.573 1.00 0.28 H new ATOM 1834 N ALA A 114 9.214 4.117 1.794 1.00 0.26 N ATOM 1835 CA ALA A 114 8.395 3.845 2.968 1.00 0.28 C ATOM 1836 C ALA A 114 7.995 2.379 3.035 1.00 0.28 C ATOM 1837 O ALA A 114 8.221 1.719 4.048 1.00 0.32 O ATOM 1838 CB ALA A 114 7.157 4.727 2.979 1.00 0.35 C ATOM 0 H ALA A 114 8.839 4.839 1.178 1.00 0.26 H new ATOM 0 HA ALA A 114 8.996 4.075 3.848 1.00 0.28 H new ATOM 0 HB1 ALA A 114 6.561 4.506 3.864 1.00 0.35 H new ATOM 0 HB2 ALA A 114 7.457 5.775 2.995 1.00 0.35 H new ATOM 0 HB3 ALA A 114 6.564 4.533 2.085 1.00 0.35 H new ATOM 1844 N VAL A 115 7.422 1.858 1.954 1.00 0.27 N ATOM 1845 CA VAL A 115 6.980 0.469 1.959 1.00 0.29 C ATOM 1846 C VAL A 115 8.170 -0.488 1.989 1.00 0.30 C ATOM 1847 O VAL A 115 8.044 -1.610 2.453 1.00 0.35 O ATOM 1848 CB VAL A 115 6.068 0.123 0.763 1.00 0.34 C ATOM 1849 CG1 VAL A 115 4.879 1.068 0.720 1.00 0.37 C ATOM 1850 CG2 VAL A 115 6.842 0.151 -0.545 1.00 0.33 C ATOM 0 H VAL A 115 7.256 2.363 1.083 1.00 0.27 H new ATOM 0 HA VAL A 115 6.391 0.347 2.868 1.00 0.29 H new ATOM 0 HB VAL A 115 5.695 -0.892 0.897 1.00 0.34 H new ATOM 0 HG11 VAL A 115 4.243 0.814 -0.128 1.00 0.37 H new ATOM 0 HG12 VAL A 115 4.307 0.975 1.643 1.00 0.37 H new ATOM 0 HG13 VAL A 115 5.233 2.093 0.614 1.00 0.37 H new ATOM 0 HG21 VAL A 115 6.173 -0.097 -1.369 1.00 0.33 H new ATOM 0 HG22 VAL A 115 7.257 1.147 -0.701 1.00 0.33 H new ATOM 0 HG23 VAL A 115 7.652 -0.577 -0.504 1.00 0.33 H new ATOM 1860 N LYS A 116 9.327 -0.034 1.513 1.00 0.29 N ATOM 1861 CA LYS A 116 10.538 -0.850 1.533 1.00 0.33 C ATOM 1862 C LYS A 116 11.120 -0.901 2.945 1.00 0.32 C ATOM 1863 O LYS A 116 11.857 -1.820 3.293 1.00 0.40 O ATOM 1864 CB LYS A 116 11.562 -0.298 0.527 1.00 0.44 C ATOM 1865 CG LYS A 116 12.776 0.376 1.137 1.00 0.50 C ATOM 1866 CD LYS A 116 13.466 1.259 0.113 1.00 0.70 C ATOM 1867 CE LYS A 116 14.910 1.501 0.490 1.00 0.97 C ATOM 1868 NZ LYS A 116 15.037 2.236 1.774 1.00 1.48 N ATOM 0 H LYS A 116 9.451 0.894 1.109 1.00 0.29 H new ATOM 0 HA LYS A 116 10.287 -1.869 1.238 1.00 0.33 H new ATOM 0 HB2 LYS A 116 11.902 -1.118 -0.106 1.00 0.44 H new ATOM 0 HB3 LYS A 116 11.058 0.418 -0.122 1.00 0.44 H new ATOM 0 HG2 LYS A 116 12.473 0.974 1.996 1.00 0.50 H new ATOM 0 HG3 LYS A 116 13.472 -0.378 1.503 1.00 0.50 H new ATOM 0 HD2 LYS A 116 13.417 0.789 -0.869 1.00 0.70 H new ATOM 0 HD3 LYS A 116 12.942 2.212 0.037 1.00 0.70 H new ATOM 0 HE2 LYS A 116 15.429 0.546 0.567 1.00 0.97 H new ATOM 0 HE3 LYS A 116 15.401 2.067 -0.301 1.00 0.97 H new ATOM 0 HZ1 LYS A 116 15.922 2.783 1.775 1.00 1.48 H new ATOM 0 HZ2 LYS A 116 14.230 2.882 1.885 1.00 1.48 H new ATOM 0 HZ3 LYS A 116 15.049 1.558 2.562 1.00 1.48 H new ATOM 1882 N LYS A 117 10.785 0.100 3.751 1.00 0.28 N ATOM 1883 CA LYS A 117 11.199 0.131 5.149 1.00 0.31 C ATOM 1884 C LYS A 117 10.252 -0.715 5.995 1.00 0.33 C ATOM 1885 O LYS A 117 10.631 -1.239 7.044 1.00 0.46 O ATOM 1886 CB LYS A 117 11.220 1.576 5.654 1.00 0.39 C ATOM 1887 CG LYS A 117 12.190 2.461 4.888 1.00 0.55 C ATOM 1888 CD LYS A 117 13.612 2.329 5.407 1.00 1.00 C ATOM 1889 CE LYS A 117 13.856 3.247 6.592 1.00 1.77 C ATOM 1890 NZ LYS A 117 13.675 4.678 6.225 1.00 2.58 N ATOM 0 H LYS A 117 10.227 0.902 3.460 1.00 0.28 H new ATOM 0 HA LYS A 117 12.203 -0.284 5.233 1.00 0.31 H new ATOM 0 HB2 LYS A 117 10.217 1.996 5.578 1.00 0.39 H new ATOM 0 HB3 LYS A 117 11.489 1.582 6.710 1.00 0.39 H new ATOM 0 HG2 LYS A 117 12.164 2.197 3.831 1.00 0.55 H new ATOM 0 HG3 LYS A 117 11.871 3.500 4.965 1.00 0.55 H new ATOM 0 HD2 LYS A 117 13.800 1.296 5.700 1.00 1.00 H new ATOM 0 HD3 LYS A 117 14.316 2.567 4.609 1.00 1.00 H new ATOM 0 HE2 LYS A 117 13.171 2.989 7.400 1.00 1.77 H new ATOM 0 HE3 LYS A 117 14.867 3.093 6.970 1.00 1.77 H new ATOM 0 HZ1 LYS A 117 14.270 5.271 6.838 1.00 2.58 H new ATOM 0 HZ2 LYS A 117 13.951 4.819 5.232 1.00 2.58 H new ATOM 0 HZ3 LYS A 117 12.677 4.944 6.348 1.00 2.58 H new ATOM 1904 N TYR A 118 9.021 -0.853 5.517 1.00 0.29 N ATOM 1905 CA TYR A 118 8.004 -1.636 6.209 1.00 0.37 C ATOM 1906 C TYR A 118 8.000 -3.081 5.736 1.00 0.39 C ATOM 1907 O TYR A 118 8.285 -3.993 6.507 1.00 0.50 O ATOM 1908 CB TYR A 118 6.628 -1.015 6.009 1.00 0.41 C ATOM 1909 CG TYR A 118 6.332 0.133 6.954 1.00 0.48 C ATOM 1910 CD1 TYR A 118 5.803 -0.092 8.220 1.00 0.63 C ATOM 1911 CD2 TYR A 118 6.582 1.448 6.576 1.00 0.54 C ATOM 1912 CE1 TYR A 118 5.533 0.957 9.080 1.00 0.71 C ATOM 1913 CE2 TYR A 118 6.316 2.502 7.432 1.00 0.63 C ATOM 1914 CZ TYR A 118 5.786 2.234 8.699 1.00 0.67 C ATOM 1915 OH TYR A 118 5.525 3.299 9.535 1.00 0.77 O ATOM 0 H TYR A 118 8.701 -0.429 4.646 1.00 0.29 H new ATOM 0 HA TYR A 118 8.246 -1.630 7.272 1.00 0.37 H new ATOM 0 HB2 TYR A 118 6.546 -0.658 4.982 1.00 0.41 H new ATOM 0 HB3 TYR A 118 5.869 -1.786 6.140 1.00 0.41 H new ATOM 0 HD1 TYR A 118 5.599 -1.104 8.537 1.00 0.63 H new ATOM 0 HD2 TYR A 118 6.991 1.650 5.597 1.00 0.54 H new ATOM 0 HE1 TYR A 118 5.119 0.759 10.058 1.00 0.71 H new ATOM 0 HE2 TYR A 118 6.515 3.519 7.126 1.00 0.63 H new ATOM 0 HH TYR A 118 5.773 4.135 9.087 1.00 0.77 H new ATOM 1925 N LEU A 119 7.666 -3.283 4.474 1.00 0.33 N ATOM 1926 CA LEU A 119 7.726 -4.607 3.877 1.00 0.36 C ATOM 1927 C LEU A 119 8.888 -4.648 2.894 1.00 0.39 C ATOM 1928 O LEU A 119 8.763 -4.255 1.733 1.00 0.40 O ATOM 1929 CB LEU A 119 6.410 -4.966 3.170 1.00 0.37 C ATOM 1930 CG LEU A 119 6.188 -6.457 2.870 1.00 0.59 C ATOM 1931 CD1 LEU A 119 6.667 -6.808 1.472 1.00 1.15 C ATOM 1932 CD2 LEU A 119 6.885 -7.340 3.903 1.00 1.37 C ATOM 0 H LEU A 119 7.350 -2.547 3.842 1.00 0.33 H new ATOM 0 HA LEU A 119 7.879 -5.344 4.665 1.00 0.36 H new ATOM 0 HB2 LEU A 119 5.583 -4.613 3.786 1.00 0.37 H new ATOM 0 HB3 LEU A 119 6.365 -4.416 2.230 1.00 0.37 H new ATOM 0 HG LEU A 119 5.116 -6.645 2.927 1.00 0.59 H new ATOM 0 HD11 LEU A 119 6.498 -7.869 1.285 1.00 1.15 H new ATOM 0 HD12 LEU A 119 6.115 -6.218 0.740 1.00 1.15 H new ATOM 0 HD13 LEU A 119 7.731 -6.589 1.386 1.00 1.15 H new ATOM 0 HD21 LEU A 119 6.709 -8.389 3.663 1.00 1.37 H new ATOM 0 HD22 LEU A 119 7.956 -7.139 3.890 1.00 1.37 H new ATOM 0 HD23 LEU A 119 6.488 -7.123 4.895 1.00 1.37 H new ATOM 1944 N PRO A 120 10.041 -5.109 3.363 1.00 0.48 N ATOM 1945 CA PRO A 120 11.242 -5.181 2.586 1.00 0.56 C ATOM 1946 C PRO A 120 11.494 -6.561 2.018 1.00 0.53 C ATOM 1947 O PRO A 120 11.125 -7.582 2.611 1.00 0.61 O ATOM 1948 CB PRO A 120 12.311 -4.818 3.610 1.00 0.68 C ATOM 1949 CG PRO A 120 11.702 -5.075 4.954 1.00 0.67 C ATOM 1950 CD PRO A 120 10.300 -5.565 4.709 1.00 0.55 C ATOM 0 HA PRO A 120 11.211 -4.531 1.711 1.00 0.56 H new ATOM 0 HB2 PRO A 120 13.208 -5.420 3.467 1.00 0.68 H new ATOM 0 HB3 PRO A 120 12.608 -3.774 3.510 1.00 0.68 H new ATOM 0 HG2 PRO A 120 12.280 -5.817 5.505 1.00 0.67 H new ATOM 0 HG3 PRO A 120 11.694 -4.166 5.555 1.00 0.67 H new ATOM 0 HD2 PRO A 120 10.229 -6.650 4.791 1.00 0.55 H new ATOM 0 HD3 PRO A 120 9.592 -5.144 5.423 1.00 0.55 H new ATOM 1958 N LEU A 121 12.134 -6.582 0.871 1.00 0.57 N ATOM 1959 CA LEU A 121 12.439 -7.836 0.200 1.00 0.49 C ATOM 1960 C LEU A 121 13.541 -7.666 -0.840 1.00 0.53 C ATOM 1961 O LEU A 121 14.539 -8.383 -0.810 1.00 0.56 O ATOM 1962 CB LEU A 121 11.183 -8.452 -0.450 1.00 0.50 C ATOM 1963 CG LEU A 121 10.467 -7.584 -1.490 1.00 0.69 C ATOM 1964 CD1 LEU A 121 9.901 -8.439 -2.605 1.00 1.11 C ATOM 1965 CD2 LEU A 121 9.344 -6.792 -0.846 1.00 1.31 C ATOM 0 H LEU A 121 12.455 -5.748 0.379 1.00 0.57 H new ATOM 0 HA LEU A 121 12.799 -8.522 0.967 1.00 0.49 H new ATOM 0 HB2 LEU A 121 11.468 -9.391 -0.925 1.00 0.50 H new ATOM 0 HB3 LEU A 121 10.473 -8.697 0.340 1.00 0.50 H new ATOM 0 HG LEU A 121 11.200 -6.893 -1.906 1.00 0.69 H new ATOM 0 HD11 LEU A 121 9.397 -7.802 -3.332 1.00 1.11 H new ATOM 0 HD12 LEU A 121 10.710 -8.980 -3.096 1.00 1.11 H new ATOM 0 HD13 LEU A 121 9.188 -9.152 -2.191 1.00 1.11 H new ATOM 0 HD21 LEU A 121 8.849 -6.182 -1.602 1.00 1.31 H new ATOM 0 HD22 LEU A 121 8.622 -7.478 -0.403 1.00 1.31 H new ATOM 0 HD23 LEU A 121 9.753 -6.146 -0.070 1.00 1.31 H new