USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 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 84 ASN : amide:sc= -0.235 X(o=-0.17,f=-0.28) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.0622 K(o=-0.17,f=-1.3) USER MOD Set 2.1: A 56 MET CE :methyl 159:sc= -2.14 (180deg=-3.32!) USER MOD Set 2.2: A 75 TYR OH : rot 30:sc=-0.00791 USER MOD Set 3.1: A 64 LYS NZ :NH3+ -143:sc= 0.428 (180deg=2.28) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.317 K(o=0.11,f=-5.5!) USER MOD Set 4.1: A 40 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.2!) USER MOD Set 4.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 22 GLN : amide:sc= 0.498 K(o=-3,f=-4.4) USER MOD Set 5.2: A 23 GLN : amide:sc= -3.47! C(o=-3!,f=-3.2!) USER MOD Single : A 21 TYR OH : rot 38:sc= 2.16 USER MOD Single : A 30 GLN : amide:sc= -1.42! C(o=-1.4!,f=-9.6!) USER MOD Single : A 33 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.687 USER MOD Single : A 37 GLN : amide:sc= -0.83 K(o=-0.83,f=-0.09) USER MOD Single : A 38 GLN : amide:sc= -0.768 K(o=-0.77,f=-0.11) USER MOD Single : A 44 ASN : amide:sc= -0.223 K(o=-0.22,f=-14!) USER MOD Single : A 47 GLN : amide:sc= 0.0122 K(o=0.012,f=-2.2) USER MOD Single : A 60 HIS : no HE2:sc= 0.608 K(o=0.61,f=-5.8!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 76:sc= 1.16 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 87 MET CE :methyl -177:sc= -1.09 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 68 N ALA A 18 8.113 1.706 -4.529 1.00 33.00 N ATOM 69 CA ALA A 18 8.105 0.354 -3.954 1.00 42.13 C ATOM 70 C ALA A 18 7.593 -0.675 -5.000 1.00 2.54 C ATOM 71 O ALA A 18 7.814 -1.874 -4.869 1.00 62.21 O ATOM 72 CB ALA A 18 7.267 0.312 -2.688 1.00 61.25 C ATOM 0 HA ALA A 18 9.126 0.085 -3.685 1.00 42.13 H new ATOM 0 HB1 ALA A 18 7.275 -0.699 -2.280 1.00 61.25 H new ATOM 0 HB2 ALA A 18 7.681 1.003 -1.954 1.00 61.25 H new ATOM 0 HB3 ALA A 18 6.242 0.601 -2.920 1.00 61.25 H new ATOM 78 N ALA A 19 6.922 -0.182 -6.047 1.00 34.44 N ATOM 79 CA ALA A 19 6.514 -1.001 -7.163 1.00 21.52 C ATOM 80 C ALA A 19 7.734 -1.415 -8.001 1.00 24.13 C ATOM 81 O ALA A 19 7.680 -2.419 -8.690 1.00 12.33 O ATOM 82 CB ALA A 19 5.495 -0.276 -8.030 1.00 12.13 C ATOM 0 H ALA A 19 6.653 0.798 -6.132 1.00 34.44 H new ATOM 0 HA ALA A 19 6.042 -1.900 -6.766 1.00 21.52 H new ATOM 0 HB1 ALA A 19 5.205 -0.916 -8.863 1.00 12.13 H new ATOM 0 HB2 ALA A 19 4.615 -0.036 -7.433 1.00 12.13 H new ATOM 0 HB3 ALA A 19 5.934 0.644 -8.415 1.00 12.13 H new ATOM 88 N ASP A 20 8.851 -0.645 -7.919 1.00 61.15 N ATOM 89 CA ASP A 20 10.094 -1.011 -8.625 1.00 71.04 C ATOM 90 C ASP A 20 10.563 -2.384 -8.124 1.00 14.41 C ATOM 91 O ASP A 20 11.041 -3.213 -8.889 1.00 32.42 O ATOM 92 CB ASP A 20 11.263 0.025 -8.452 1.00 62.40 C ATOM 93 CG ASP A 20 11.312 1.172 -9.494 1.00 44.24 C ATOM 94 OD1 ASP A 20 11.815 0.966 -10.632 1.00 65.14 O ATOM 95 OD2 ASP A 20 10.925 2.307 -9.180 1.00 33.20 O ATOM 0 H ASP A 20 8.911 0.218 -7.379 1.00 61.15 H new ATOM 0 HA ASP A 20 9.853 -1.026 -9.688 1.00 71.04 H new ATOM 0 HB2 ASP A 20 11.187 0.466 -7.458 1.00 62.40 H new ATOM 0 HB3 ASP A 20 12.209 -0.515 -8.490 1.00 62.40 H new ATOM 100 N TYR A 21 10.344 -2.631 -6.815 1.00 2.24 N ATOM 101 CA TYR A 21 10.691 -3.904 -6.146 1.00 44.10 C ATOM 102 C TYR A 21 10.127 -5.123 -6.888 1.00 30.23 C ATOM 103 O TYR A 21 10.772 -6.185 -6.919 1.00 51.33 O ATOM 104 CB TYR A 21 10.202 -3.902 -4.669 1.00 53.32 C ATOM 105 CG TYR A 21 10.282 -5.265 -4.000 1.00 54.33 C ATOM 106 CD1 TYR A 21 11.468 -5.738 -3.465 1.00 74.24 C ATOM 107 CD2 TYR A 21 9.166 -6.099 -3.957 1.00 1.23 C ATOM 108 CE1 TYR A 21 11.541 -7.002 -2.919 1.00 12.15 C ATOM 109 CE2 TYR A 21 9.234 -7.352 -3.400 1.00 11.32 C ATOM 110 CZ TYR A 21 10.423 -7.802 -2.888 1.00 54.31 C ATOM 111 OH TYR A 21 10.502 -9.077 -2.383 1.00 3.24 O ATOM 0 H TYR A 21 9.919 -1.948 -6.188 1.00 2.24 H new ATOM 0 HA TYR A 21 11.778 -3.984 -6.162 1.00 44.10 H new ATOM 0 HB2 TYR A 21 10.799 -3.191 -4.098 1.00 53.32 H new ATOM 0 HB3 TYR A 21 9.171 -3.551 -4.637 1.00 53.32 H new ATOM 0 HD1 TYR A 21 12.346 -5.110 -3.475 1.00 74.24 H new ATOM 0 HD2 TYR A 21 8.230 -5.753 -4.370 1.00 1.23 H new ATOM 0 HE1 TYR A 21 12.476 -7.363 -2.516 1.00 12.15 H new ATOM 0 HE2 TYR A 21 8.356 -7.979 -3.365 1.00 11.32 H new ATOM 0 HH TYR A 21 11.099 -9.085 -1.606 1.00 3.24 H new ATOM 121 N GLN A 22 8.944 -4.967 -7.486 1.00 62.44 N ATOM 122 CA GLN A 22 8.302 -6.071 -8.222 1.00 11.13 C ATOM 123 C GLN A 22 9.241 -6.535 -9.325 1.00 63.35 C ATOM 124 O GLN A 22 9.663 -7.707 -9.351 1.00 20.40 O ATOM 125 CB GLN A 22 6.928 -5.624 -8.805 1.00 14.43 C ATOM 126 CG GLN A 22 6.031 -6.749 -9.393 1.00 25.15 C ATOM 127 CD GLN A 22 6.529 -7.400 -10.700 1.00 62.22 C ATOM 128 OE1 GLN A 22 7.173 -6.770 -11.540 1.00 35.11 O ATOM 129 NE2 GLN A 22 6.239 -8.661 -10.857 1.00 64.32 N ATOM 0 H GLN A 22 8.411 -4.097 -7.479 1.00 62.44 H new ATOM 0 HA GLN A 22 8.108 -6.900 -7.541 1.00 11.13 H new ATOM 0 HB2 GLN A 22 6.370 -5.118 -8.017 1.00 14.43 H new ATOM 0 HB3 GLN A 22 7.112 -4.888 -9.588 1.00 14.43 H new ATOM 0 HG2 GLN A 22 5.922 -7.530 -8.640 1.00 25.15 H new ATOM 0 HG3 GLN A 22 5.037 -6.338 -9.571 1.00 25.15 H new ATOM 0 HE21 GLN A 22 5.704 -9.154 -10.142 1.00 64.32 H new ATOM 0 HE22 GLN A 22 6.547 -9.155 -11.695 1.00 64.32 H new ATOM 138 N GLN A 23 9.607 -5.600 -10.192 1.00 61.43 N ATOM 139 CA GLN A 23 10.487 -5.881 -11.301 1.00 25.20 C ATOM 140 C GLN A 23 11.838 -6.318 -10.778 1.00 4.14 C ATOM 141 O GLN A 23 12.410 -7.264 -11.283 1.00 41.25 O ATOM 142 CB GLN A 23 10.703 -4.665 -12.238 1.00 63.12 C ATOM 143 CG GLN A 23 9.468 -4.025 -12.888 1.00 74.02 C ATOM 144 CD GLN A 23 8.581 -3.276 -11.912 1.00 44.25 C ATOM 145 OE1 GLN A 23 7.658 -3.821 -11.367 1.00 1.43 O ATOM 146 NE2 GLN A 23 8.886 -2.033 -11.662 1.00 54.12 N ATOM 0 H GLN A 23 9.299 -4.629 -10.140 1.00 61.43 H new ATOM 0 HA GLN A 23 10.006 -6.668 -11.882 1.00 25.20 H new ATOM 0 HB2 GLN A 23 11.218 -3.892 -11.668 1.00 63.12 H new ATOM 0 HB3 GLN A 23 11.377 -4.975 -13.036 1.00 63.12 H new ATOM 0 HG2 GLN A 23 9.795 -3.338 -13.668 1.00 74.02 H new ATOM 0 HG3 GLN A 23 8.880 -4.804 -13.374 1.00 74.02 H new ATOM 0 HE21 GLN A 23 9.674 -1.596 -12.139 1.00 54.12 H new ATOM 0 HE22 GLN A 23 8.336 -1.498 -10.990 1.00 54.12 H new ATOM 155 N LEU A 24 12.312 -5.625 -9.741 1.00 53.42 N ATOM 156 CA LEU A 24 13.624 -5.876 -9.125 1.00 31.21 C ATOM 157 C LEU A 24 13.770 -7.369 -8.813 1.00 42.02 C ATOM 158 O LEU A 24 14.728 -8.012 -9.239 1.00 52.20 O ATOM 159 CB LEU A 24 13.744 -5.063 -7.817 1.00 34.32 C ATOM 160 CG LEU A 24 15.146 -4.581 -7.376 1.00 53.35 C ATOM 161 CD1 LEU A 24 15.067 -3.921 -6.010 1.00 35.44 C ATOM 162 CD2 LEU A 24 16.188 -5.693 -7.372 1.00 34.10 C ATOM 0 H LEU A 24 11.794 -4.866 -9.298 1.00 53.42 H new ATOM 0 HA LEU A 24 14.410 -5.572 -9.816 1.00 31.21 H new ATOM 0 HB2 LEU A 24 13.106 -4.184 -7.913 1.00 34.32 H new ATOM 0 HB3 LEU A 24 13.333 -5.670 -7.010 1.00 34.32 H new ATOM 0 HG LEU A 24 15.476 -3.852 -8.117 1.00 53.35 H new ATOM 0 HD11 LEU A 24 16.060 -3.586 -5.710 1.00 35.44 H new ATOM 0 HD12 LEU A 24 14.394 -3.065 -6.058 1.00 35.44 H new ATOM 0 HD13 LEU A 24 14.690 -4.638 -5.281 1.00 35.44 H new ATOM 0 HD21 LEU A 24 17.149 -5.290 -7.054 1.00 34.10 H new ATOM 0 HD22 LEU A 24 15.878 -6.479 -6.684 1.00 34.10 H new ATOM 0 HD23 LEU A 24 16.283 -6.107 -8.376 1.00 34.10 H new ATOM 174 N ARG A 25 12.791 -7.917 -8.109 1.00 74.14 N ATOM 175 CA ARG A 25 12.817 -9.274 -7.748 1.00 63.12 C ATOM 176 C ARG A 25 12.571 -10.183 -8.959 1.00 44.03 C ATOM 177 O ARG A 25 13.371 -11.080 -9.224 1.00 52.45 O ATOM 178 CB ARG A 25 11.795 -9.553 -6.630 1.00 34.32 C ATOM 179 CG ARG A 25 11.631 -11.022 -6.381 1.00 43.13 C ATOM 180 CD ARG A 25 10.607 -11.373 -5.300 1.00 13.51 C ATOM 181 NE ARG A 25 11.106 -11.286 -3.909 1.00 4.33 N ATOM 182 CZ ARG A 25 11.502 -12.353 -3.163 1.00 62.42 C ATOM 183 NH1 ARG A 25 11.705 -13.531 -3.742 1.00 32.02 N ATOM 184 NH2 ARG A 25 11.724 -12.226 -1.871 1.00 15.11 N ATOM 0 H ARG A 25 11.968 -7.409 -7.785 1.00 74.14 H new ATOM 0 HA ARG A 25 13.813 -9.502 -7.369 1.00 63.12 H new ATOM 0 HB2 ARG A 25 12.118 -9.062 -5.712 1.00 34.32 H new ATOM 0 HB3 ARG A 25 10.832 -9.120 -6.901 1.00 34.32 H new ATOM 0 HG2 ARG A 25 11.336 -11.505 -7.313 1.00 43.13 H new ATOM 0 HG3 ARG A 25 12.597 -11.439 -6.097 1.00 43.13 H new ATOM 0 HD2 ARG A 25 9.750 -10.708 -5.404 1.00 13.51 H new ATOM 0 HD3 ARG A 25 10.247 -12.387 -5.478 1.00 13.51 H new ATOM 0 HE ARG A 25 11.157 -10.362 -3.480 1.00 4.33 H new ATOM 0 HH11 ARG A 25 11.564 -13.636 -4.747 1.00 32.02 H new ATOM 0 HH12 ARG A 25 12.002 -14.330 -3.182 1.00 32.02 H new ATOM 0 HH21 ARG A 25 11.599 -11.320 -1.419 1.00 15.11 H new ATOM 0 HH22 ARG A 25 12.020 -13.033 -1.323 1.00 15.11 H new ATOM 198 N GLU A 26 11.497 -9.927 -9.710 1.00 43.04 N ATOM 199 CA GLU A 26 11.089 -10.812 -10.776 1.00 34.53 C ATOM 200 C GLU A 26 12.173 -10.979 -11.848 1.00 32.01 C ATOM 201 O GLU A 26 12.487 -12.102 -12.221 1.00 23.43 O ATOM 202 CB GLU A 26 9.802 -10.342 -11.428 1.00 55.13 C ATOM 203 CG GLU A 26 9.064 -11.472 -12.115 1.00 35.12 C ATOM 204 CD GLU A 26 8.062 -11.003 -13.140 1.00 44.42 C ATOM 205 OE1 GLU A 26 7.254 -10.110 -12.844 1.00 64.11 O ATOM 206 OE2 GLU A 26 8.164 -11.440 -14.306 1.00 31.34 O ATOM 0 H GLU A 26 10.900 -9.109 -9.590 1.00 43.04 H new ATOM 0 HA GLU A 26 10.921 -11.783 -10.310 1.00 34.53 H new ATOM 0 HB2 GLU A 26 9.156 -9.895 -10.673 1.00 55.13 H new ATOM 0 HB3 GLU A 26 10.029 -9.563 -12.156 1.00 55.13 H new ATOM 0 HG2 GLU A 26 9.788 -12.126 -12.600 1.00 35.12 H new ATOM 0 HG3 GLU A 26 8.549 -12.069 -11.362 1.00 35.12 H new ATOM 213 N ARG A 27 12.791 -9.862 -12.287 1.00 32.41 N ATOM 214 CA ARG A 27 13.773 -9.903 -13.382 1.00 30.45 C ATOM 215 C ARG A 27 14.947 -10.776 -13.059 1.00 22.40 C ATOM 216 O ARG A 27 15.469 -11.477 -13.920 1.00 51.12 O ATOM 217 CB ARG A 27 14.247 -8.535 -13.764 1.00 71.14 C ATOM 218 CG ARG A 27 13.108 -7.633 -14.093 1.00 11.13 C ATOM 219 CD ARG A 27 12.197 -8.096 -15.215 1.00 44.05 C ATOM 220 NE ARG A 27 10.817 -7.644 -14.945 1.00 71.32 N ATOM 221 CZ ARG A 27 9.798 -8.496 -14.772 1.00 31.21 C ATOM 222 NH1 ARG A 27 9.917 -9.737 -15.198 1.00 33.22 N ATOM 223 NH2 ARG A 27 8.645 -8.099 -14.210 1.00 1.34 N ATOM 0 H ARG A 27 12.627 -8.932 -11.902 1.00 32.41 H new ATOM 0 HA ARG A 27 13.250 -10.337 -14.234 1.00 30.45 H new ATOM 0 HB2 ARG A 27 14.826 -8.108 -12.945 1.00 71.14 H new ATOM 0 HB3 ARG A 27 14.915 -8.607 -14.622 1.00 71.14 H new ATOM 0 HG2 ARG A 27 12.506 -7.498 -13.195 1.00 11.13 H new ATOM 0 HG3 ARG A 27 13.509 -6.655 -14.358 1.00 11.13 H new ATOM 0 HD2 ARG A 27 12.543 -7.695 -16.168 1.00 44.05 H new ATOM 0 HD3 ARG A 27 12.226 -9.183 -15.297 1.00 44.05 H new ATOM 0 HE ARG A 27 10.632 -6.642 -14.888 1.00 71.32 H new ATOM 0 HH11 ARG A 27 10.778 -10.039 -15.654 1.00 33.22 H new ATOM 0 HH12 ARG A 27 9.148 -10.395 -15.072 1.00 33.22 H new ATOM 0 HH21 ARG A 27 8.532 -7.132 -13.905 1.00 1.34 H new ATOM 0 HH22 ARG A 27 7.882 -8.764 -14.088 1.00 1.34 H new ATOM 237 N LEU A 28 15.319 -10.778 -11.794 1.00 63.43 N ATOM 238 CA LEU A 28 16.424 -11.573 -11.338 1.00 41.31 C ATOM 239 C LEU A 28 16.079 -13.019 -11.364 1.00 43.04 C ATOM 240 O LEU A 28 16.846 -13.814 -11.819 1.00 45.44 O ATOM 241 CB LEU A 28 16.882 -11.137 -9.956 1.00 31.15 C ATOM 242 CG LEU A 28 17.563 -9.786 -9.922 1.00 74.41 C ATOM 243 CD1 LEU A 28 17.919 -9.384 -8.505 1.00 3.21 C ATOM 244 CD2 LEU A 28 18.797 -9.826 -10.803 1.00 32.20 C ATOM 0 H LEU A 28 14.863 -10.230 -11.064 1.00 63.43 H new ATOM 0 HA LEU A 28 17.258 -11.416 -12.022 1.00 41.31 H new ATOM 0 HB2 LEU A 28 16.019 -11.112 -9.291 1.00 31.15 H new ATOM 0 HB3 LEU A 28 17.568 -11.886 -9.560 1.00 31.15 H new ATOM 0 HG LEU A 28 16.874 -9.033 -10.304 1.00 74.41 H new ATOM 0 HD11 LEU A 28 18.407 -8.409 -8.515 1.00 3.21 H new ATOM 0 HD12 LEU A 28 17.012 -9.330 -7.903 1.00 3.21 H new ATOM 0 HD13 LEU A 28 18.595 -10.124 -8.076 1.00 3.21 H new ATOM 0 HD21 LEU A 28 19.291 -8.855 -10.782 1.00 32.20 H new ATOM 0 HD22 LEU A 28 19.482 -10.590 -10.435 1.00 32.20 H new ATOM 0 HD23 LEU A 28 18.506 -10.063 -11.826 1.00 32.20 H new ATOM 256 N ILE A 29 14.892 -13.337 -10.934 1.00 75.42 N ATOM 257 CA ILE A 29 14.408 -14.713 -10.905 1.00 73.54 C ATOM 258 C ILE A 29 14.391 -15.330 -12.306 1.00 24.33 C ATOM 259 O ILE A 29 14.679 -16.511 -12.469 1.00 12.52 O ATOM 260 CB ILE A 29 13.001 -14.811 -10.192 1.00 14.45 C ATOM 261 CG1 ILE A 29 13.146 -14.930 -8.674 1.00 41.04 C ATOM 262 CG2 ILE A 29 12.125 -15.933 -10.725 1.00 32.41 C ATOM 263 CD1 ILE A 29 13.962 -13.850 -8.038 1.00 31.34 C ATOM 0 H ILE A 29 14.218 -12.654 -10.588 1.00 75.42 H new ATOM 0 HA ILE A 29 15.108 -15.300 -10.311 1.00 73.54 H new ATOM 0 HB ILE A 29 12.494 -13.876 -10.429 1.00 14.45 H new ATOM 0 HG12 ILE A 29 12.152 -14.927 -8.226 1.00 41.04 H new ATOM 0 HG13 ILE A 29 13.598 -15.894 -8.440 1.00 41.04 H new ATOM 0 HG21 ILE A 29 11.176 -15.939 -10.189 1.00 32.41 H new ATOM 0 HG22 ILE A 29 11.941 -15.777 -11.788 1.00 32.41 H new ATOM 0 HG23 ILE A 29 12.630 -16.888 -10.581 1.00 32.41 H new ATOM 0 HD11 ILE A 29 14.010 -14.016 -6.962 1.00 31.34 H new ATOM 0 HD12 ILE A 29 14.970 -13.864 -8.453 1.00 31.34 H new ATOM 0 HD13 ILE A 29 13.501 -12.882 -8.235 1.00 31.34 H new ATOM 275 N GLN A 30 14.132 -14.507 -13.305 1.00 43.32 N ATOM 276 CA GLN A 30 14.080 -14.973 -14.683 1.00 53.23 C ATOM 277 C GLN A 30 15.456 -15.428 -15.132 1.00 32.21 C ATOM 278 O GLN A 30 15.594 -16.418 -15.832 1.00 45.33 O ATOM 279 CB GLN A 30 13.604 -13.870 -15.613 1.00 54.40 C ATOM 280 CG GLN A 30 12.443 -13.082 -15.069 1.00 50.10 C ATOM 281 CD GLN A 30 11.802 -12.184 -16.098 1.00 41.23 C ATOM 282 OE1 GLN A 30 12.183 -11.031 -16.265 1.00 74.14 O ATOM 283 NE2 GLN A 30 10.799 -12.685 -16.770 1.00 51.25 N ATOM 0 H GLN A 30 13.954 -13.509 -13.190 1.00 43.32 H new ATOM 0 HA GLN A 30 13.378 -15.806 -14.726 1.00 53.23 H new ATOM 0 HB2 GLN A 30 14.433 -13.190 -15.811 1.00 54.40 H new ATOM 0 HB3 GLN A 30 13.318 -14.310 -16.568 1.00 54.40 H new ATOM 0 HG2 GLN A 30 11.694 -13.772 -14.681 1.00 50.10 H new ATOM 0 HG3 GLN A 30 12.784 -12.476 -14.229 1.00 50.10 H new ATOM 0 HE21 GLN A 30 10.507 -13.649 -16.607 1.00 51.25 H new ATOM 0 HE22 GLN A 30 10.309 -12.112 -17.457 1.00 51.25 H new ATOM 292 N GLU A 31 16.463 -14.698 -14.713 1.00 23.21 N ATOM 293 CA GLU A 31 17.790 -14.980 -15.047 1.00 31.01 C ATOM 294 C GLU A 31 18.402 -16.023 -14.074 1.00 62.33 C ATOM 295 O GLU A 31 19.225 -16.859 -14.468 1.00 34.32 O ATOM 296 CB GLU A 31 18.521 -13.646 -15.082 1.00 25.42 C ATOM 297 CG GLU A 31 19.954 -13.736 -14.812 1.00 2.13 C ATOM 298 CD GLU A 31 20.688 -12.457 -15.121 1.00 20.14 C ATOM 299 OE1 GLU A 31 21.080 -12.266 -16.291 1.00 74.45 O ATOM 300 OE2 GLU A 31 20.915 -11.639 -14.211 1.00 62.21 O ATOM 0 H GLU A 31 16.352 -13.877 -14.117 1.00 23.21 H new ATOM 0 HA GLU A 31 17.877 -15.452 -16.026 1.00 31.01 H new ATOM 0 HB2 GLU A 31 18.376 -13.192 -16.062 1.00 25.42 H new ATOM 0 HB3 GLU A 31 18.067 -12.977 -14.351 1.00 25.42 H new ATOM 0 HG2 GLU A 31 20.106 -13.993 -13.764 1.00 2.13 H new ATOM 0 HG3 GLU A 31 20.380 -14.546 -15.404 1.00 2.13 H new ATOM 307 N LEU A 32 17.952 -16.002 -12.830 1.00 52.42 N ATOM 308 CA LEU A 32 18.418 -16.924 -11.823 1.00 65.51 C ATOM 309 C LEU A 32 17.824 -18.322 -12.010 1.00 10.24 C ATOM 310 O LEU A 32 18.348 -19.296 -11.482 1.00 54.15 O ATOM 311 CB LEU A 32 18.166 -16.359 -10.405 1.00 13.01 C ATOM 312 CG LEU A 32 18.960 -15.097 -10.059 1.00 73.32 C ATOM 313 CD1 LEU A 32 18.723 -14.656 -8.636 1.00 32.42 C ATOM 314 CD2 LEU A 32 20.435 -15.282 -10.322 1.00 32.14 C ATOM 0 H LEU A 32 17.251 -15.341 -12.495 1.00 52.42 H new ATOM 0 HA LEU A 32 19.496 -17.036 -11.942 1.00 65.51 H new ATOM 0 HB2 LEU A 32 17.103 -16.141 -10.301 1.00 13.01 H new ATOM 0 HB3 LEU A 32 18.406 -17.132 -9.675 1.00 13.01 H new ATOM 0 HG LEU A 32 18.596 -14.306 -10.715 1.00 73.32 H new ATOM 0 HD11 LEU A 32 19.305 -13.757 -8.432 1.00 32.42 H new ATOM 0 HD12 LEU A 32 17.664 -14.443 -8.493 1.00 32.42 H new ATOM 0 HD13 LEU A 32 19.029 -15.449 -7.954 1.00 32.42 H new ATOM 0 HD21 LEU A 32 20.968 -14.367 -10.065 1.00 32.14 H new ATOM 0 HD22 LEU A 32 20.813 -16.104 -9.714 1.00 32.14 H new ATOM 0 HD23 LEU A 32 20.591 -15.509 -11.377 1.00 32.14 H new ATOM 326 N ASN A 33 16.720 -18.386 -12.754 1.00 3.23 N ATOM 327 CA ASN A 33 16.069 -19.644 -13.195 1.00 1.25 C ATOM 328 C ASN A 33 15.544 -20.523 -12.058 1.00 4.31 C ATOM 329 O ASN A 33 15.302 -21.716 -12.248 1.00 62.41 O ATOM 330 CB ASN A 33 16.984 -20.455 -14.139 1.00 44.12 C ATOM 331 CG ASN A 33 17.021 -19.910 -15.561 1.00 11.43 C ATOM 332 OD1 ASN A 33 16.251 -20.330 -16.416 1.00 31.42 O ATOM 333 ND2 ASN A 33 17.894 -18.969 -15.826 1.00 33.03 N ATOM 0 H ASN A 33 16.233 -17.551 -13.080 1.00 3.23 H new ATOM 0 HA ASN A 33 15.186 -19.321 -13.746 1.00 1.25 H new ATOM 0 HB2 ASN A 33 17.996 -20.462 -13.734 1.00 44.12 H new ATOM 0 HB3 ASN A 33 16.643 -21.490 -14.163 1.00 44.12 H new ATOM 0 HD21 ASN A 33 17.944 -18.568 -16.763 1.00 33.03 H new ATOM 0 HD22 ASN A 33 18.524 -18.637 -15.095 1.00 33.03 H new ATOM 340 N LEU A 34 15.314 -19.944 -10.909 1.00 24.31 N ATOM 341 CA LEU A 34 14.746 -20.678 -9.821 1.00 3.45 C ATOM 342 C LEU A 34 13.558 -19.916 -9.293 1.00 41.14 C ATOM 343 O LEU A 34 13.277 -18.815 -9.762 1.00 23.53 O ATOM 344 CB LEU A 34 15.761 -20.981 -8.699 1.00 53.11 C ATOM 345 CG LEU A 34 16.120 -19.876 -7.698 1.00 21.35 C ATOM 346 CD1 LEU A 34 17.009 -20.450 -6.622 1.00 70.13 C ATOM 347 CD2 LEU A 34 16.814 -18.729 -8.373 1.00 71.12 C ATOM 0 H LEU A 34 15.513 -18.964 -10.707 1.00 24.31 H new ATOM 0 HA LEU A 34 14.430 -21.652 -10.196 1.00 3.45 H new ATOM 0 HB2 LEU A 34 15.378 -21.828 -8.130 1.00 53.11 H new ATOM 0 HB3 LEU A 34 16.686 -21.308 -9.173 1.00 53.11 H new ATOM 0 HG LEU A 34 15.198 -19.496 -7.259 1.00 21.35 H new ATOM 0 HD11 LEU A 34 17.267 -19.668 -5.908 1.00 70.13 H new ATOM 0 HD12 LEU A 34 16.483 -21.254 -6.106 1.00 70.13 H new ATOM 0 HD13 LEU A 34 17.920 -20.843 -7.074 1.00 70.13 H new ATOM 0 HD21 LEU A 34 17.054 -17.964 -7.635 1.00 71.12 H new ATOM 0 HD22 LEU A 34 17.733 -19.084 -8.840 1.00 71.12 H new ATOM 0 HD23 LEU A 34 16.160 -18.305 -9.135 1.00 71.12 H new ATOM 359 N THR A 35 12.874 -20.457 -8.326 1.00 73.44 N ATOM 360 CA THR A 35 11.723 -19.813 -7.819 1.00 2.33 C ATOM 361 C THR A 35 12.135 -18.754 -6.802 1.00 11.34 C ATOM 362 O THR A 35 13.142 -18.916 -6.106 1.00 2.13 O ATOM 363 CB THR A 35 10.767 -20.840 -7.177 1.00 63.22 C ATOM 364 OG1 THR A 35 11.492 -21.641 -6.240 1.00 3.43 O ATOM 365 CG2 THR A 35 10.141 -21.738 -8.237 1.00 41.44 C ATOM 0 H THR A 35 13.104 -21.345 -7.880 1.00 73.44 H new ATOM 0 HA THR A 35 11.195 -19.329 -8.641 1.00 2.33 H new ATOM 0 HB THR A 35 9.969 -20.300 -6.668 1.00 63.22 H new ATOM 0 HG1 THR A 35 11.000 -22.472 -6.070 1.00 3.43 H new ATOM 0 HG21 THR A 35 9.471 -22.453 -7.759 1.00 41.44 H new ATOM 0 HG22 THR A 35 9.577 -21.129 -8.943 1.00 41.44 H new ATOM 0 HG23 THR A 35 10.926 -22.276 -8.768 1.00 41.44 H new ATOM 373 N PRO A 36 11.350 -17.668 -6.672 1.00 50.21 N ATOM 374 CA PRO A 36 11.624 -16.572 -5.713 1.00 34.03 C ATOM 375 C PRO A 36 11.540 -17.038 -4.244 1.00 15.54 C ATOM 376 O PRO A 36 11.729 -16.266 -3.322 1.00 10.33 O ATOM 377 CB PRO A 36 10.498 -15.560 -6.001 1.00 31.20 C ATOM 378 CG PRO A 36 9.431 -16.344 -6.675 1.00 0.54 C ATOM 379 CD PRO A 36 10.138 -17.389 -7.476 1.00 52.42 C ATOM 0 HA PRO A 36 12.631 -16.173 -5.835 1.00 34.03 H new ATOM 0 HB2 PRO A 36 10.131 -15.107 -5.080 1.00 31.20 H new ATOM 0 HB3 PRO A 36 10.851 -14.748 -6.637 1.00 31.20 H new ATOM 0 HG2 PRO A 36 8.760 -16.798 -5.946 1.00 0.54 H new ATOM 0 HG3 PRO A 36 8.822 -15.706 -7.315 1.00 0.54 H new ATOM 0 HD2 PRO A 36 9.525 -18.281 -7.604 1.00 52.42 H new ATOM 0 HD3 PRO A 36 10.390 -17.030 -8.474 1.00 52.42 H new ATOM 387 N GLN A 37 11.193 -18.282 -4.086 1.00 3.43 N ATOM 388 CA GLN A 37 10.985 -18.912 -2.801 1.00 61.54 C ATOM 389 C GLN A 37 12.194 -19.729 -2.386 1.00 4.13 C ATOM 390 O GLN A 37 12.427 -19.931 -1.214 1.00 75.32 O ATOM 391 CB GLN A 37 9.723 -19.779 -2.811 1.00 53.02 C ATOM 392 CG GLN A 37 8.462 -19.019 -3.214 1.00 23.55 C ATOM 393 CD GLN A 37 8.190 -17.780 -2.357 1.00 51.35 C ATOM 394 OE1 GLN A 37 7.636 -16.807 -2.836 1.00 0.20 O ATOM 395 NE2 GLN A 37 8.566 -17.813 -1.096 1.00 33.20 N ATOM 0 H GLN A 37 11.040 -18.914 -4.872 1.00 3.43 H new ATOM 0 HA GLN A 37 10.847 -18.120 -2.065 1.00 61.54 H new ATOM 0 HB2 GLN A 37 9.870 -20.612 -3.498 1.00 53.02 H new ATOM 0 HB3 GLN A 37 9.578 -20.206 -1.819 1.00 53.02 H new ATOM 0 HG2 GLN A 37 8.549 -18.716 -4.257 1.00 23.55 H new ATOM 0 HG3 GLN A 37 7.606 -19.691 -3.147 1.00 23.55 H new ATOM 0 HE21 GLN A 37 9.028 -18.642 -0.723 1.00 33.20 H new ATOM 0 HE22 GLN A 37 8.395 -17.009 -0.492 1.00 33.20 H new ATOM 404 N GLN A 38 12.968 -20.207 -3.367 1.00 13.03 N ATOM 405 CA GLN A 38 14.173 -20.985 -3.058 1.00 0.20 C ATOM 406 C GLN A 38 15.355 -20.061 -3.111 1.00 51.14 C ATOM 407 O GLN A 38 16.510 -20.462 -3.036 1.00 41.12 O ATOM 408 CB GLN A 38 14.359 -22.152 -4.036 1.00 70.50 C ATOM 409 CG GLN A 38 13.217 -23.164 -4.024 1.00 53.11 C ATOM 410 CD GLN A 38 12.955 -23.788 -2.655 1.00 12.30 C ATOM 411 OE1 GLN A 38 11.831 -24.138 -2.340 1.00 4.12 O ATOM 412 NE2 GLN A 38 13.982 -23.948 -1.848 1.00 10.54 N ATOM 0 H GLN A 38 12.787 -20.073 -4.362 1.00 13.03 H new ATOM 0 HA GLN A 38 14.075 -21.419 -2.063 1.00 0.20 H new ATOM 0 HB2 GLN A 38 14.466 -21.753 -5.045 1.00 70.50 H new ATOM 0 HB3 GLN A 38 15.289 -22.667 -3.797 1.00 70.50 H new ATOM 0 HG2 GLN A 38 12.307 -22.673 -4.369 1.00 53.11 H new ATOM 0 HG3 GLN A 38 13.441 -23.958 -4.737 1.00 53.11 H new ATOM 0 HE21 GLN A 38 14.911 -23.645 -2.139 1.00 10.54 H new ATOM 0 HE22 GLN A 38 13.849 -24.375 -0.931 1.00 10.54 H new ATOM 421 N LEU A 39 15.021 -18.828 -3.241 1.00 13.52 N ATOM 422 CA LEU A 39 15.910 -17.755 -3.311 1.00 74.54 C ATOM 423 C LEU A 39 15.475 -16.735 -2.277 1.00 43.32 C ATOM 424 O LEU A 39 14.416 -16.116 -2.396 1.00 42.33 O ATOM 425 CB LEU A 39 15.900 -17.190 -4.731 1.00 2.15 C ATOM 426 CG LEU A 39 16.351 -15.760 -4.888 1.00 11.14 C ATOM 427 CD1 LEU A 39 17.757 -15.538 -4.324 1.00 12.23 C ATOM 428 CD2 LEU A 39 16.321 -15.355 -6.321 1.00 60.00 C ATOM 0 H LEU A 39 14.046 -18.535 -3.305 1.00 13.52 H new ATOM 0 HA LEU A 39 16.935 -18.056 -3.094 1.00 74.54 H new ATOM 0 HB2 LEU A 39 16.537 -17.819 -5.353 1.00 2.15 H new ATOM 0 HB3 LEU A 39 14.887 -17.274 -5.125 1.00 2.15 H new ATOM 0 HG LEU A 39 15.655 -15.143 -4.319 1.00 11.14 H new ATOM 0 HD11 LEU A 39 18.042 -14.495 -4.458 1.00 12.23 H new ATOM 0 HD12 LEU A 39 17.766 -15.783 -3.262 1.00 12.23 H new ATOM 0 HD13 LEU A 39 18.465 -16.178 -4.850 1.00 12.23 H new ATOM 0 HD21 LEU A 39 16.650 -14.320 -6.414 1.00 60.00 H new ATOM 0 HD22 LEU A 39 16.986 -16.000 -6.895 1.00 60.00 H new ATOM 0 HD23 LEU A 39 15.305 -15.449 -6.704 1.00 60.00 H new ATOM 440 N HIS A 40 16.280 -16.590 -1.277 1.00 43.21 N ATOM 441 CA HIS A 40 15.971 -15.744 -0.151 1.00 51.52 C ATOM 442 C HIS A 40 16.413 -14.346 -0.373 1.00 51.05 C ATOM 443 O HIS A 40 17.508 -14.112 -0.877 1.00 75.11 O ATOM 444 CB HIS A 40 16.695 -16.226 1.087 1.00 54.44 C ATOM 445 CG HIS A 40 16.328 -17.616 1.532 1.00 2.13 C ATOM 446 ND1 HIS A 40 15.278 -17.893 2.370 1.00 53.32 N ATOM 447 CD2 HIS A 40 16.893 -18.813 1.232 1.00 73.21 C ATOM 448 CE1 HIS A 40 15.229 -19.210 2.557 1.00 62.21 C ATOM 449 NE2 HIS A 40 16.193 -19.823 1.884 1.00 35.42 N ATOM 0 H HIS A 40 17.184 -17.057 -1.209 1.00 43.21 H new ATOM 0 HA HIS A 40 14.889 -15.785 -0.028 1.00 51.52 H new ATOM 0 HB2 HIS A 40 17.768 -16.191 0.900 1.00 54.44 H new ATOM 0 HB3 HIS A 40 16.491 -15.533 1.903 1.00 54.44 H new ATOM 0 HD1 HIS A 40 14.644 -17.207 2.780 1.00 53.32 H new ATOM 0 HD2 HIS A 40 17.749 -18.958 0.590 1.00 73.21 H new ATOM 0 HE1 HIS A 40 14.500 -19.713 3.175 1.00 62.21 H new ATOM 457 N GLU A 41 15.563 -13.416 -0.043 1.00 3.04 N ATOM 458 CA GLU A 41 15.979 -12.056 0.034 1.00 31.10 C ATOM 459 C GLU A 41 16.517 -11.808 1.437 1.00 24.35 C ATOM 460 O GLU A 41 17.139 -10.800 1.702 1.00 61.01 O ATOM 461 CB GLU A 41 14.886 -11.061 -0.323 1.00 65.10 C ATOM 462 CG GLU A 41 13.716 -10.984 0.630 1.00 72.22 C ATOM 463 CD GLU A 41 12.797 -9.862 0.246 1.00 75.42 C ATOM 464 OE1 GLU A 41 13.143 -8.719 0.486 1.00 14.32 O ATOM 465 OE2 GLU A 41 11.754 -10.125 -0.369 1.00 14.25 O ATOM 0 H GLU A 41 14.580 -13.580 0.176 1.00 3.04 H new ATOM 0 HA GLU A 41 16.756 -11.893 -0.713 1.00 31.10 H new ATOM 0 HB2 GLU A 41 15.335 -10.070 -0.395 1.00 65.10 H new ATOM 0 HB3 GLU A 41 14.505 -11.311 -1.313 1.00 65.10 H new ATOM 0 HG2 GLU A 41 13.170 -11.928 0.622 1.00 72.22 H new ATOM 0 HG3 GLU A 41 14.078 -10.834 1.647 1.00 72.22 H new ATOM 472 N GLU A 42 16.190 -12.742 2.341 1.00 34.51 N ATOM 473 CA GLU A 42 16.629 -12.705 3.730 1.00 42.30 C ATOM 474 C GLU A 42 18.084 -13.145 3.788 1.00 5.43 C ATOM 475 O GLU A 42 18.868 -12.680 4.610 1.00 22.34 O ATOM 476 CB GLU A 42 15.798 -13.669 4.623 1.00 64.52 C ATOM 477 CG GLU A 42 14.297 -13.764 4.319 1.00 10.12 C ATOM 478 CD GLU A 42 13.998 -14.706 3.160 1.00 21.53 C ATOM 479 OE1 GLU A 42 13.984 -14.253 1.998 1.00 12.32 O ATOM 480 OE2 GLU A 42 13.839 -15.909 3.400 1.00 4.14 O ATOM 0 H GLU A 42 15.607 -13.549 2.120 1.00 34.51 H new ATOM 0 HA GLU A 42 16.498 -11.688 4.101 1.00 42.30 H new ATOM 0 HB2 GLU A 42 16.227 -14.667 4.538 1.00 64.52 H new ATOM 0 HB3 GLU A 42 15.916 -13.359 5.661 1.00 64.52 H new ATOM 0 HG2 GLU A 42 13.770 -14.108 5.209 1.00 10.12 H new ATOM 0 HG3 GLU A 42 13.913 -12.771 4.085 1.00 10.12 H new ATOM 487 N SER A 43 18.417 -14.068 2.918 1.00 11.41 N ATOM 488 CA SER A 43 19.758 -14.540 2.775 1.00 13.25 C ATOM 489 C SER A 43 20.397 -13.762 1.655 1.00 42.12 C ATOM 490 O SER A 43 19.716 -13.018 0.944 1.00 24.40 O ATOM 491 CB SER A 43 19.821 -16.045 2.547 1.00 0.34 C ATOM 492 OG SER A 43 19.084 -16.714 3.557 1.00 44.13 O ATOM 0 H SER A 43 17.751 -14.512 2.286 1.00 11.41 H new ATOM 0 HA SER A 43 20.310 -14.376 3.701 1.00 13.25 H new ATOM 0 HB2 SER A 43 19.416 -16.291 1.565 1.00 0.34 H new ATOM 0 HB3 SER A 43 20.858 -16.381 2.558 1.00 0.34 H new ATOM 0 HG SER A 43 19.126 -17.681 3.406 1.00 44.13 H new ATOM 498 N ASN A 44 21.664 -13.901 1.498 1.00 3.13 N ATOM 499 CA ASN A 44 22.378 -13.013 0.632 1.00 20.40 C ATOM 500 C ASN A 44 22.254 -13.425 -0.845 1.00 34.20 C ATOM 501 O ASN A 44 22.313 -14.597 -1.178 1.00 30.24 O ATOM 502 CB ASN A 44 23.838 -12.879 1.121 1.00 22.22 C ATOM 503 CG ASN A 44 24.686 -11.807 0.450 1.00 41.45 C ATOM 504 OD1 ASN A 44 24.510 -11.469 -0.692 1.00 13.23 O ATOM 505 ND2 ASN A 44 25.634 -11.273 1.183 1.00 73.44 N ATOM 0 H ASN A 44 22.232 -14.616 1.952 1.00 3.13 H new ATOM 0 HA ASN A 44 21.927 -12.022 0.680 1.00 20.40 H new ATOM 0 HB2 ASN A 44 23.821 -12.679 2.192 1.00 22.22 H new ATOM 0 HB3 ASN A 44 24.333 -13.840 0.984 1.00 22.22 H new ATOM 0 HD21 ASN A 44 26.241 -10.555 0.788 1.00 73.44 H new ATOM 0 HD22 ASN A 44 25.764 -11.576 2.148 1.00 73.44 H new ATOM 512 N LEU A 45 22.108 -12.432 -1.714 1.00 24.44 N ATOM 513 CA LEU A 45 21.925 -12.663 -3.132 1.00 64.23 C ATOM 514 C LEU A 45 23.251 -13.014 -3.812 1.00 62.12 C ATOM 515 O LEU A 45 23.265 -13.586 -4.886 1.00 11.40 O ATOM 516 CB LEU A 45 21.284 -11.444 -3.809 1.00 2.13 C ATOM 517 CG LEU A 45 19.920 -10.986 -3.268 1.00 2.52 C ATOM 518 CD1 LEU A 45 19.423 -9.778 -4.041 1.00 35.03 C ATOM 519 CD2 LEU A 45 18.896 -12.107 -3.336 1.00 33.11 C ATOM 0 H LEU A 45 22.114 -11.447 -1.451 1.00 24.44 H new ATOM 0 HA LEU A 45 21.251 -13.513 -3.242 1.00 64.23 H new ATOM 0 HB2 LEU A 45 21.979 -10.608 -3.730 1.00 2.13 H new ATOM 0 HB3 LEU A 45 21.171 -11.665 -4.870 1.00 2.13 H new ATOM 0 HG LEU A 45 20.051 -10.709 -2.222 1.00 2.52 H new ATOM 0 HD11 LEU A 45 18.456 -9.466 -3.646 1.00 35.03 H new ATOM 0 HD12 LEU A 45 20.138 -8.961 -3.939 1.00 35.03 H new ATOM 0 HD13 LEU A 45 19.318 -10.038 -5.094 1.00 35.03 H new ATOM 0 HD21 LEU A 45 17.942 -11.752 -2.946 1.00 33.11 H new ATOM 0 HD22 LEU A 45 18.770 -12.423 -4.372 1.00 33.11 H new ATOM 0 HD23 LEU A 45 19.240 -12.951 -2.739 1.00 33.11 H new ATOM 531 N ILE A 46 24.364 -12.691 -3.153 1.00 20.24 N ATOM 532 CA ILE A 46 25.710 -13.022 -3.661 1.00 73.40 C ATOM 533 C ILE A 46 25.963 -14.534 -3.406 1.00 12.00 C ATOM 534 O ILE A 46 26.943 -15.117 -3.847 1.00 41.02 O ATOM 535 CB ILE A 46 26.819 -12.141 -2.950 1.00 13.52 C ATOM 536 CG1 ILE A 46 26.499 -10.640 -3.051 1.00 42.22 C ATOM 537 CG2 ILE A 46 28.209 -12.378 -3.531 1.00 40.33 C ATOM 538 CD1 ILE A 46 26.523 -10.054 -4.452 1.00 13.23 C ATOM 0 H ILE A 46 24.367 -12.197 -2.260 1.00 20.24 H new ATOM 0 HA ILE A 46 25.765 -12.807 -4.728 1.00 73.40 H new ATOM 0 HB ILE A 46 26.815 -12.450 -1.905 1.00 13.52 H new ATOM 0 HG12 ILE A 46 25.512 -10.468 -2.622 1.00 42.22 H new ATOM 0 HG13 ILE A 46 27.213 -10.093 -2.436 1.00 42.22 H new ATOM 0 HG21 ILE A 46 28.933 -11.751 -3.010 1.00 40.33 H new ATOM 0 HG22 ILE A 46 28.481 -13.426 -3.407 1.00 40.33 H new ATOM 0 HG23 ILE A 46 28.208 -12.126 -4.592 1.00 40.33 H new ATOM 0 HD11 ILE A 46 26.284 -8.992 -4.406 1.00 13.23 H new ATOM 0 HD12 ILE A 46 27.515 -10.184 -4.884 1.00 13.23 H new ATOM 0 HD13 ILE A 46 25.787 -10.565 -5.073 1.00 13.23 H new ATOM 550 N GLN A 47 25.033 -15.148 -2.675 1.00 32.10 N ATOM 551 CA GLN A 47 25.046 -16.580 -2.425 1.00 40.21 C ATOM 552 C GLN A 47 24.317 -17.301 -3.564 1.00 71.45 C ATOM 553 O GLN A 47 24.290 -18.525 -3.643 1.00 5.12 O ATOM 554 CB GLN A 47 24.419 -16.890 -1.069 1.00 62.24 C ATOM 555 CG GLN A 47 25.256 -16.398 0.106 1.00 70.24 C ATOM 556 CD GLN A 47 24.560 -16.520 1.454 1.00 40.23 C ATOM 557 OE1 GLN A 47 23.346 -16.406 1.566 1.00 33.03 O ATOM 558 NE2 GLN A 47 25.328 -16.758 2.486 1.00 1.14 N ATOM 0 H GLN A 47 24.249 -14.661 -2.241 1.00 32.10 H new ATOM 0 HA GLN A 47 26.075 -16.938 -2.395 1.00 40.21 H new ATOM 0 HB2 GLN A 47 23.431 -16.432 -1.020 1.00 62.24 H new ATOM 0 HB3 GLN A 47 24.276 -17.967 -0.980 1.00 62.24 H new ATOM 0 HG2 GLN A 47 26.188 -16.963 0.137 1.00 70.24 H new ATOM 0 HG3 GLN A 47 25.521 -15.354 -0.062 1.00 70.24 H new ATOM 0 HE21 GLN A 47 26.336 -16.848 2.361 1.00 1.14 H new ATOM 0 HE22 GLN A 47 24.918 -16.854 3.415 1.00 1.14 H new ATOM 567 N ALA A 48 23.715 -16.504 -4.421 1.00 55.23 N ATOM 568 CA ALA A 48 23.048 -16.949 -5.614 1.00 63.32 C ATOM 569 C ALA A 48 23.888 -16.465 -6.787 1.00 42.13 C ATOM 570 O ALA A 48 24.946 -15.868 -6.568 1.00 32.25 O ATOM 571 CB ALA A 48 21.632 -16.383 -5.682 1.00 74.51 C ATOM 0 H ALA A 48 23.679 -15.492 -4.296 1.00 55.23 H new ATOM 0 HA ALA A 48 22.952 -18.035 -5.630 1.00 63.32 H new ATOM 0 HB1 ALA A 48 21.144 -16.732 -6.592 1.00 74.51 H new ATOM 0 HB2 ALA A 48 21.064 -16.719 -4.814 1.00 74.51 H new ATOM 0 HB3 ALA A 48 21.675 -15.294 -5.688 1.00 74.51 H new ATOM 577 N GLY A 49 23.461 -16.709 -8.018 1.00 32.12 N ATOM 578 CA GLY A 49 24.275 -16.276 -9.131 1.00 24.01 C ATOM 579 C GLY A 49 24.111 -14.795 -9.395 1.00 4.14 C ATOM 580 O GLY A 49 23.304 -14.388 -10.202 1.00 61.02 O ATOM 0 H GLY A 49 22.592 -17.185 -8.261 1.00 32.12 H new ATOM 0 HA2 GLY A 49 25.322 -16.496 -8.924 1.00 24.01 H new ATOM 0 HA3 GLY A 49 24.001 -16.838 -10.024 1.00 24.01 H new ATOM 584 N LEU A 50 24.893 -14.015 -8.729 1.00 73.31 N ATOM 585 CA LEU A 50 24.874 -12.616 -8.859 1.00 61.22 C ATOM 586 C LEU A 50 26.317 -12.155 -8.933 1.00 41.41 C ATOM 587 O LEU A 50 27.178 -12.696 -8.230 1.00 2.02 O ATOM 588 CB LEU A 50 24.138 -12.022 -7.652 1.00 42.21 C ATOM 589 CG LEU A 50 23.988 -10.518 -7.633 1.00 42.23 C ATOM 590 CD1 LEU A 50 23.167 -10.057 -8.816 1.00 3.52 C ATOM 591 CD2 LEU A 50 23.352 -10.042 -6.344 1.00 52.23 C ATOM 0 H LEU A 50 25.583 -14.355 -8.059 1.00 73.31 H new ATOM 0 HA LEU A 50 24.350 -12.287 -9.757 1.00 61.22 H new ATOM 0 HB2 LEU A 50 23.143 -12.466 -7.605 1.00 42.21 H new ATOM 0 HB3 LEU A 50 24.665 -12.325 -6.747 1.00 42.21 H new ATOM 0 HG LEU A 50 24.986 -10.084 -7.698 1.00 42.23 H new ATOM 0 HD11 LEU A 50 23.067 -8.972 -8.789 1.00 3.52 H new ATOM 0 HD12 LEU A 50 23.663 -10.353 -9.740 1.00 3.52 H new ATOM 0 HD13 LEU A 50 22.178 -10.513 -8.773 1.00 3.52 H new ATOM 0 HD21 LEU A 50 23.259 -8.956 -6.363 1.00 52.23 H new ATOM 0 HD22 LEU A 50 22.363 -10.489 -6.239 1.00 52.23 H new ATOM 0 HD23 LEU A 50 23.975 -10.338 -5.500 1.00 52.23 H new ATOM 603 N ASP A 51 26.575 -11.218 -9.794 1.00 35.21 N ATOM 604 CA ASP A 51 27.909 -10.748 -10.060 1.00 13.31 C ATOM 605 C ASP A 51 28.059 -9.294 -9.611 1.00 22.22 C ATOM 606 O ASP A 51 27.588 -8.912 -8.554 1.00 33.31 O ATOM 607 CB ASP A 51 28.224 -10.907 -11.581 1.00 2.31 C ATOM 608 CG ASP A 51 27.243 -10.186 -12.530 1.00 21.20 C ATOM 609 OD1 ASP A 51 26.393 -9.387 -12.073 1.00 62.02 O ATOM 610 OD2 ASP A 51 27.288 -10.455 -13.744 1.00 32.35 O ATOM 0 H ASP A 51 25.855 -10.748 -10.343 1.00 35.21 H new ATOM 0 HA ASP A 51 28.625 -11.344 -9.494 1.00 13.31 H new ATOM 0 HB2 ASP A 51 29.230 -10.532 -11.769 1.00 2.31 H new ATOM 0 HB3 ASP A 51 28.229 -11.969 -11.826 1.00 2.31 H new ATOM 680 N ILE A 53 28.094 -6.394 -12.247 1.00 2.21 N ATOM 681 CA ILE A 53 27.307 -5.730 -13.282 1.00 24.44 C ATOM 682 C ILE A 53 25.756 -5.752 -13.043 1.00 52.53 C ATOM 683 O ILE A 53 25.083 -4.730 -13.305 1.00 1.42 O ATOM 684 CB ILE A 53 27.704 -6.300 -14.696 1.00 75.23 C ATOM 685 CG1 ILE A 53 27.732 -5.206 -15.766 1.00 23.52 C ATOM 686 CG2 ILE A 53 26.836 -7.476 -15.145 1.00 3.11 C ATOM 687 CD1 ILE A 53 26.398 -4.540 -16.089 1.00 51.05 C ATOM 0 HA ILE A 53 27.559 -4.670 -13.236 1.00 24.44 H new ATOM 0 HB ILE A 53 28.715 -6.688 -14.576 1.00 75.23 H new ATOM 0 HG12 ILE A 53 28.431 -4.433 -15.447 1.00 23.52 H new ATOM 0 HG13 ILE A 53 28.130 -5.637 -16.685 1.00 23.52 H new ATOM 0 HG21 ILE A 53 27.165 -7.818 -16.126 1.00 3.11 H new ATOM 0 HG22 ILE A 53 26.928 -8.291 -14.427 1.00 3.11 H new ATOM 0 HG23 ILE A 53 25.795 -7.159 -15.202 1.00 3.11 H new ATOM 0 HD11 ILE A 53 26.546 -3.784 -16.860 1.00 51.05 H new ATOM 0 HD12 ILE A 53 25.694 -5.291 -16.448 1.00 51.05 H new ATOM 0 HD13 ILE A 53 26.000 -4.069 -15.190 1.00 51.05 H new ATOM 699 N ARG A 54 25.178 -6.874 -12.541 1.00 21.12 N ATOM 700 CA ARG A 54 23.753 -6.875 -12.186 1.00 71.44 C ATOM 701 C ARG A 54 23.482 -5.775 -11.172 1.00 25.31 C ATOM 702 O ARG A 54 22.525 -5.031 -11.318 1.00 21.24 O ATOM 703 CB ARG A 54 23.258 -8.228 -11.646 1.00 14.01 C ATOM 704 CG ARG A 54 22.797 -9.251 -12.699 1.00 24.34 C ATOM 705 CD ARG A 54 23.913 -9.726 -13.604 1.00 1.13 C ATOM 706 NE ARG A 54 23.442 -10.680 -14.607 1.00 44.30 N ATOM 707 CZ ARG A 54 24.200 -11.227 -15.561 1.00 3.31 C ATOM 708 NH1 ARG A 54 25.530 -11.127 -15.521 1.00 13.42 N ATOM 709 NH2 ARG A 54 23.632 -11.949 -16.508 1.00 75.03 N ATOM 0 H ARG A 54 25.665 -7.756 -12.381 1.00 21.12 H new ATOM 0 HA ARG A 54 23.196 -6.691 -13.105 1.00 71.44 H new ATOM 0 HB2 ARG A 54 24.060 -8.677 -11.060 1.00 14.01 H new ATOM 0 HB3 ARG A 54 22.429 -8.042 -10.963 1.00 14.01 H new ATOM 0 HG2 ARG A 54 22.359 -10.111 -12.192 1.00 24.34 H new ATOM 0 HG3 ARG A 54 22.010 -8.805 -13.308 1.00 24.34 H new ATOM 0 HD2 ARG A 54 24.363 -8.868 -14.104 1.00 1.13 H new ATOM 0 HD3 ARG A 54 24.694 -10.190 -13.002 1.00 1.13 H new ATOM 0 HE ARG A 54 22.458 -10.949 -14.576 1.00 44.30 H new ATOM 0 HH11 ARG A 54 25.981 -10.628 -14.755 1.00 13.42 H new ATOM 0 HH12 ARG A 54 26.096 -11.550 -16.257 1.00 13.42 H new ATOM 0 HH21 ARG A 54 22.621 -12.086 -16.508 1.00 75.03 H new ATOM 0 HH22 ARG A 54 24.204 -12.370 -17.240 1.00 75.03 H new ATOM 723 N LEU A 55 24.398 -5.610 -10.216 1.00 52.12 N ATOM 724 CA LEU A 55 24.308 -4.556 -9.196 1.00 25.31 C ATOM 725 C LEU A 55 24.274 -3.206 -9.878 1.00 54.24 C ATOM 726 O LEU A 55 23.396 -2.404 -9.623 1.00 41.34 O ATOM 727 CB LEU A 55 25.523 -4.569 -8.228 1.00 60.43 C ATOM 728 CG LEU A 55 25.561 -5.564 -7.054 1.00 22.21 C ATOM 729 CD1 LEU A 55 24.505 -5.252 -6.039 1.00 30.42 C ATOM 730 CD2 LEU A 55 25.464 -7.001 -7.507 1.00 55.11 C ATOM 0 H LEU A 55 25.224 -6.201 -10.124 1.00 52.12 H new ATOM 0 HA LEU A 55 23.401 -4.740 -8.620 1.00 25.31 H new ATOM 0 HB2 LEU A 55 26.415 -4.743 -8.830 1.00 60.43 H new ATOM 0 HB3 LEU A 55 25.613 -3.568 -7.807 1.00 60.43 H new ATOM 0 HG LEU A 55 26.536 -5.445 -6.581 1.00 22.21 H new ATOM 0 HD11 LEU A 55 24.560 -5.973 -5.224 1.00 30.42 H new ATOM 0 HD12 LEU A 55 24.663 -4.248 -5.646 1.00 30.42 H new ATOM 0 HD13 LEU A 55 23.522 -5.308 -6.507 1.00 30.42 H new ATOM 0 HD21 LEU A 55 25.496 -7.659 -6.639 1.00 55.11 H new ATOM 0 HD22 LEU A 55 24.526 -7.151 -8.042 1.00 55.11 H new ATOM 0 HD23 LEU A 55 26.300 -7.231 -8.168 1.00 55.11 H new ATOM 742 N MET A 56 25.227 -2.988 -10.786 1.00 63.52 N ATOM 743 CA MET A 56 25.365 -1.717 -11.522 1.00 50.15 C ATOM 744 C MET A 56 24.087 -1.379 -12.281 1.00 25.11 C ATOM 745 O MET A 56 23.732 -0.206 -12.428 1.00 2.21 O ATOM 746 CB MET A 56 26.568 -1.741 -12.483 1.00 71.53 C ATOM 747 CG MET A 56 27.982 -1.662 -11.855 1.00 41.31 C ATOM 748 SD MET A 56 28.350 -2.922 -10.606 1.00 41.51 S ATOM 749 CE MET A 56 27.839 -2.108 -9.091 1.00 3.12 C ATOM 0 H MET A 56 25.929 -3.685 -11.036 1.00 63.52 H new ATOM 0 HA MET A 56 25.544 -0.938 -10.781 1.00 50.15 H new ATOM 0 HB2 MET A 56 26.511 -2.657 -13.071 1.00 71.53 H new ATOM 0 HB3 MET A 56 26.461 -0.908 -13.178 1.00 71.53 H new ATOM 0 HG2 MET A 56 28.720 -1.740 -12.653 1.00 41.31 H new ATOM 0 HG3 MET A 56 28.105 -0.678 -11.401 1.00 41.31 H new ATOM 0 HE1 MET A 56 27.654 -2.856 -8.320 1.00 3.12 H new ATOM 0 HE2 MET A 56 28.626 -1.431 -8.758 1.00 3.12 H new ATOM 0 HE3 MET A 56 26.926 -1.541 -9.273 1.00 3.12 H new ATOM 759 N ARG A 57 23.412 -2.413 -12.758 1.00 61.21 N ATOM 760 CA ARG A 57 22.116 -2.285 -13.392 1.00 24.24 C ATOM 761 C ARG A 57 21.086 -1.756 -12.412 1.00 4.13 C ATOM 762 O ARG A 57 20.413 -0.767 -12.692 1.00 0.12 O ATOM 763 CB ARG A 57 21.678 -3.633 -13.947 1.00 1.11 C ATOM 764 CG ARG A 57 21.882 -3.774 -15.440 1.00 14.44 C ATOM 765 CD ARG A 57 20.654 -3.300 -16.225 1.00 2.44 C ATOM 766 NE ARG A 57 20.288 -1.887 -15.984 1.00 4.11 N ATOM 767 CZ ARG A 57 19.095 -1.462 -15.507 1.00 4.03 C ATOM 768 NH1 ARG A 57 18.185 -2.346 -15.068 1.00 62.10 N ATOM 769 NH2 ARG A 57 18.842 -0.160 -15.433 1.00 21.41 N ATOM 0 H ARG A 57 23.755 -3.373 -12.714 1.00 61.21 H new ATOM 0 HA ARG A 57 22.198 -1.572 -14.212 1.00 24.24 H new ATOM 0 HB2 ARG A 57 22.231 -4.422 -13.438 1.00 1.11 H new ATOM 0 HB3 ARG A 57 20.623 -3.784 -13.718 1.00 1.11 H new ATOM 0 HG2 ARG A 57 22.755 -3.196 -15.745 1.00 14.44 H new ATOM 0 HG3 ARG A 57 22.089 -4.816 -15.683 1.00 14.44 H new ATOM 0 HD2 ARG A 57 20.842 -3.438 -17.290 1.00 2.44 H new ATOM 0 HD3 ARG A 57 19.805 -3.933 -15.966 1.00 2.44 H new ATOM 0 HE ARG A 57 20.990 -1.177 -16.194 1.00 4.11 H new ATOM 0 HH11 ARG A 57 18.391 -3.345 -15.093 1.00 62.10 H new ATOM 0 HH12 ARG A 57 17.288 -2.019 -14.710 1.00 62.10 H new ATOM 0 HH21 ARG A 57 19.545 0.514 -15.735 1.00 21.41 H new ATOM 0 HH22 ARG A 57 17.944 0.166 -15.074 1.00 21.41 H new ATOM 783 N TRP A 58 21.003 -2.398 -11.260 1.00 52.22 N ATOM 784 CA TRP A 58 20.053 -2.026 -10.210 1.00 70.30 C ATOM 785 C TRP A 58 20.305 -0.631 -9.700 1.00 15.13 C ATOM 786 O TRP A 58 19.367 0.156 -9.557 1.00 1.33 O ATOM 787 CB TRP A 58 20.051 -3.068 -9.097 1.00 1.13 C ATOM 788 CG TRP A 58 19.768 -4.416 -9.651 1.00 61.03 C ATOM 789 CD1 TRP A 58 20.444 -5.550 -9.385 1.00 70.44 C ATOM 790 CD2 TRP A 58 18.756 -4.759 -10.632 1.00 4.14 C ATOM 791 NE1 TRP A 58 19.956 -6.578 -10.154 1.00 3.22 N ATOM 792 CE2 TRP A 58 18.914 -6.111 -10.918 1.00 61.22 C ATOM 793 CE3 TRP A 58 17.733 -4.044 -11.297 1.00 1.33 C ATOM 794 CZ2 TRP A 58 18.114 -6.768 -11.841 1.00 43.02 C ATOM 795 CZ3 TRP A 58 16.938 -4.708 -12.202 1.00 72.23 C ATOM 796 CH2 TRP A 58 17.136 -6.057 -12.470 1.00 3.22 C ATOM 0 H TRP A 58 21.592 -3.195 -11.019 1.00 52.22 H new ATOM 0 HA TRP A 58 19.052 -2.012 -10.642 1.00 70.30 H new ATOM 0 HB2 TRP A 58 21.017 -3.071 -8.591 1.00 1.13 H new ATOM 0 HB3 TRP A 58 19.301 -2.810 -8.350 1.00 1.13 H new ATOM 0 HD1 TRP A 58 21.251 -5.638 -8.672 1.00 70.44 H new ATOM 0 HE1 TRP A 58 20.310 -7.534 -10.157 1.00 3.22 H new ATOM 0 HE3 TRP A 58 17.579 -2.994 -11.098 1.00 1.33 H new ATOM 0 HZ2 TRP A 58 18.262 -7.816 -12.056 1.00 43.02 H new ATOM 0 HZ3 TRP A 58 16.149 -4.174 -12.711 1.00 72.23 H new ATOM 0 HH2 TRP A 58 16.502 -6.552 -13.191 1.00 3.22 H new ATOM 807 N LEU A 59 21.580 -0.305 -9.539 1.00 31.44 N ATOM 808 CA LEU A 59 22.057 1.006 -9.070 1.00 2.01 C ATOM 809 C LEU A 59 21.347 2.160 -9.724 1.00 31.14 C ATOM 810 O LEU A 59 20.669 2.936 -9.062 1.00 33.32 O ATOM 811 CB LEU A 59 23.552 1.150 -9.369 1.00 25.35 C ATOM 812 CG LEU A 59 24.517 0.940 -8.223 1.00 55.52 C ATOM 813 CD1 LEU A 59 24.384 2.077 -7.220 1.00 65.41 C ATOM 814 CD2 LEU A 59 24.272 -0.395 -7.564 1.00 71.12 C ATOM 0 H LEU A 59 22.339 -0.958 -9.734 1.00 31.44 H new ATOM 0 HA LEU A 59 21.854 1.039 -8.000 1.00 2.01 H new ATOM 0 HB2 LEU A 59 23.807 0.442 -10.157 1.00 25.35 H new ATOM 0 HB3 LEU A 59 23.720 2.149 -9.771 1.00 25.35 H new ATOM 0 HG LEU A 59 25.536 0.939 -8.611 1.00 55.52 H new ATOM 0 HD11 LEU A 59 25.081 1.920 -6.397 1.00 65.41 H new ATOM 0 HD12 LEU A 59 24.609 3.024 -7.711 1.00 65.41 H new ATOM 0 HD13 LEU A 59 23.366 2.103 -6.832 1.00 65.41 H new ATOM 0 HD21 LEU A 59 24.975 -0.529 -6.742 1.00 71.12 H new ATOM 0 HD22 LEU A 59 23.253 -0.429 -7.179 1.00 71.12 H new ATOM 0 HD23 LEU A 59 24.411 -1.192 -8.294 1.00 71.12 H new ATOM 826 N HIS A 60 21.460 2.238 -11.019 1.00 72.21 N ATOM 827 CA HIS A 60 20.922 3.359 -11.741 1.00 5.33 C ATOM 828 C HIS A 60 19.427 3.200 -11.995 1.00 63.15 C ATOM 829 O HIS A 60 18.718 4.165 -12.281 1.00 20.44 O ATOM 830 CB HIS A 60 21.737 3.655 -13.018 1.00 75.22 C ATOM 831 CG HIS A 60 21.703 2.599 -14.099 1.00 42.34 C ATOM 832 ND1 HIS A 60 22.657 1.617 -14.248 1.00 34.30 N ATOM 833 CD2 HIS A 60 20.828 2.419 -15.118 1.00 21.10 C ATOM 834 CE1 HIS A 60 22.353 0.896 -15.320 1.00 22.33 C ATOM 835 NE2 HIS A 60 21.244 1.333 -15.892 1.00 60.01 N ATOM 0 H HIS A 60 21.921 1.537 -11.599 1.00 72.21 H new ATOM 0 HA HIS A 60 21.022 4.244 -11.112 1.00 5.33 H new ATOM 0 HB2 HIS A 60 21.376 4.591 -13.444 1.00 75.22 H new ATOM 0 HB3 HIS A 60 22.776 3.815 -12.730 1.00 75.22 H new ATOM 0 HD1 HIS A 60 23.461 1.469 -13.638 1.00 34.30 H new ATOM 0 HD2 HIS A 60 19.949 3.019 -15.302 1.00 21.10 H new ATOM 0 HE1 HIS A 60 22.936 0.061 -15.679 1.00 22.33 H new ATOM 843 N TRP A 61 18.963 1.990 -11.841 1.00 52.10 N ATOM 844 CA TRP A 61 17.598 1.634 -12.089 1.00 24.53 C ATOM 845 C TRP A 61 16.645 2.279 -11.053 1.00 73.41 C ATOM 846 O TRP A 61 15.627 2.849 -11.415 1.00 3.32 O ATOM 847 CB TRP A 61 17.492 0.129 -12.102 1.00 32.24 C ATOM 848 CG TRP A 61 16.187 -0.365 -12.569 1.00 12.53 C ATOM 849 CD1 TRP A 61 15.697 -0.306 -13.835 1.00 51.31 C ATOM 850 CD2 TRP A 61 15.210 -0.999 -11.785 1.00 12.31 C ATOM 851 NE1 TRP A 61 14.463 -0.876 -13.883 1.00 33.34 N ATOM 852 CE2 TRP A 61 14.136 -1.309 -12.627 1.00 65.23 C ATOM 853 CE3 TRP A 61 15.138 -1.336 -10.443 1.00 74.34 C ATOM 854 CZ2 TRP A 61 13.005 -1.940 -12.170 1.00 25.30 C ATOM 855 CZ3 TRP A 61 14.018 -1.960 -9.990 1.00 13.21 C ATOM 856 CH2 TRP A 61 12.967 -2.257 -10.849 1.00 44.15 C ATOM 0 H TRP A 61 19.540 1.208 -11.532 1.00 52.10 H new ATOM 0 HA TRP A 61 17.287 2.021 -13.059 1.00 24.53 H new ATOM 0 HB2 TRP A 61 18.275 -0.277 -12.742 1.00 32.24 H new ATOM 0 HB3 TRP A 61 17.675 -0.249 -11.096 1.00 32.24 H new ATOM 0 HD1 TRP A 61 16.212 0.129 -14.679 1.00 51.31 H new ATOM 0 HE1 TRP A 61 13.880 -0.966 -14.715 1.00 33.34 H new ATOM 0 HE3 TRP A 61 15.953 -1.108 -9.772 1.00 74.34 H new ATOM 0 HZ2 TRP A 61 12.183 -2.174 -12.830 1.00 25.30 H new ATOM 0 HZ3 TRP A 61 13.944 -2.229 -8.947 1.00 13.21 H new ATOM 0 HH2 TRP A 61 12.093 -2.755 -10.455 1.00 44.15 H new ATOM 867 N PHE A 62 16.951 2.160 -9.781 1.00 21.12 N ATOM 868 CA PHE A 62 16.189 2.899 -8.754 1.00 3.21 C ATOM 869 C PHE A 62 16.701 4.303 -8.612 1.00 3.04 C ATOM 870 O PHE A 62 16.010 5.171 -8.107 1.00 42.41 O ATOM 871 CB PHE A 62 16.045 2.211 -7.393 1.00 64.31 C ATOM 872 CG PHE A 62 16.865 1.025 -7.198 1.00 65.41 C ATOM 873 CD1 PHE A 62 18.143 1.151 -6.778 1.00 11.44 C ATOM 874 CD2 PHE A 62 16.348 -0.222 -7.442 1.00 21.42 C ATOM 875 CE1 PHE A 62 18.927 0.029 -6.596 1.00 60.44 C ATOM 876 CE2 PHE A 62 17.111 -1.337 -7.278 1.00 24.05 C ATOM 877 CZ PHE A 62 18.402 -1.216 -6.853 1.00 71.23 C ATOM 0 H PHE A 62 17.704 1.575 -9.420 1.00 21.12 H new ATOM 0 HA PHE A 62 15.169 2.918 -9.139 1.00 3.21 H new ATOM 0 HB2 PHE A 62 16.290 2.932 -6.614 1.00 64.31 H new ATOM 0 HB3 PHE A 62 15.000 1.935 -7.254 1.00 64.31 H new ATOM 0 HD1 PHE A 62 18.552 2.131 -6.584 1.00 11.44 H new ATOM 0 HD2 PHE A 62 15.323 -0.320 -7.768 1.00 21.42 H new ATOM 0 HE1 PHE A 62 19.947 0.128 -6.254 1.00 60.44 H new ATOM 0 HE2 PHE A 62 16.697 -2.313 -7.483 1.00 24.05 H new ATOM 0 HZ PHE A 62 19.011 -2.097 -6.718 1.00 71.23 H new ATOM 887 N ARG A 63 17.951 4.517 -9.012 1.00 4.43 N ATOM 888 CA ARG A 63 18.575 5.843 -8.968 1.00 65.53 C ATOM 889 C ARG A 63 17.734 6.869 -9.737 1.00 25.52 C ATOM 890 O ARG A 63 17.738 8.040 -9.399 1.00 73.32 O ATOM 891 CB ARG A 63 19.966 5.809 -9.570 1.00 61.35 C ATOM 892 CG ARG A 63 20.827 7.025 -9.291 1.00 34.12 C ATOM 893 CD ARG A 63 21.082 7.160 -7.804 1.00 20.15 C ATOM 894 NE ARG A 63 22.139 8.137 -7.508 1.00 53.21 N ATOM 895 CZ ARG A 63 23.166 7.896 -6.677 1.00 24.21 C ATOM 896 NH1 ARG A 63 23.220 6.747 -6.013 1.00 4.42 N ATOM 897 NH2 ARG A 63 24.126 8.810 -6.500 1.00 72.31 N ATOM 0 H ARG A 63 18.560 3.783 -9.374 1.00 4.43 H new ATOM 0 HA ARG A 63 18.639 6.134 -7.920 1.00 65.53 H new ATOM 0 HB2 ARG A 63 20.483 4.925 -9.196 1.00 61.35 H new ATOM 0 HB3 ARG A 63 19.873 5.691 -10.650 1.00 61.35 H new ATOM 0 HG2 ARG A 63 21.775 6.938 -9.823 1.00 34.12 H new ATOM 0 HG3 ARG A 63 20.333 7.922 -9.665 1.00 34.12 H new ATOM 0 HD2 ARG A 63 20.161 7.462 -7.305 1.00 20.15 H new ATOM 0 HD3 ARG A 63 21.362 6.189 -7.396 1.00 20.15 H new ATOM 0 HE ARG A 63 22.090 9.050 -7.959 1.00 53.21 H new ATOM 0 HH11 ARG A 63 22.483 6.052 -6.135 1.00 4.42 H new ATOM 0 HH12 ARG A 63 23.998 6.559 -5.381 1.00 4.42 H new ATOM 0 HH21 ARG A 63 24.082 9.699 -6.998 1.00 72.31 H new ATOM 0 HH22 ARG A 63 24.902 8.618 -5.867 1.00 72.31 H new ATOM 911 N LYS A 64 16.989 6.404 -10.756 1.00 24.10 N ATOM 912 CA LYS A 64 16.086 7.272 -11.524 1.00 63.05 C ATOM 913 C LYS A 64 14.913 7.791 -10.674 1.00 4.21 C ATOM 914 O LYS A 64 14.161 8.649 -11.095 1.00 13.15 O ATOM 915 CB LYS A 64 15.662 6.629 -12.886 1.00 44.40 C ATOM 916 CG LYS A 64 14.863 5.328 -12.832 1.00 31.03 C ATOM 917 CD LYS A 64 13.409 5.572 -12.495 1.00 0.23 C ATOM 918 CE LYS A 64 12.562 4.264 -12.436 1.00 65.41 C ATOM 919 NZ LYS A 64 12.896 3.390 -11.270 1.00 71.01 N ATOM 0 H LYS A 64 16.996 5.432 -11.065 1.00 24.10 H new ATOM 0 HA LYS A 64 16.648 8.164 -11.799 1.00 63.05 H new ATOM 0 HB2 LYS A 64 15.073 7.363 -13.436 1.00 44.40 H new ATOM 0 HB3 LYS A 64 16.566 6.445 -13.467 1.00 44.40 H new ATOM 0 HG2 LYS A 64 14.932 4.819 -13.794 1.00 31.03 H new ATOM 0 HG3 LYS A 64 15.302 4.663 -12.088 1.00 31.03 H new ATOM 0 HD2 LYS A 64 13.347 6.081 -11.533 1.00 0.23 H new ATOM 0 HD3 LYS A 64 12.978 6.242 -13.239 1.00 0.23 H new ATOM 0 HE2 LYS A 64 11.505 4.527 -12.392 1.00 65.41 H new ATOM 0 HE3 LYS A 64 12.713 3.701 -13.357 1.00 65.41 H new ATOM 0 HZ1 LYS A 64 12.841 2.392 -11.557 1.00 71.01 H new ATOM 0 HZ2 LYS A 64 13.860 3.603 -10.941 1.00 71.01 H new ATOM 0 HZ3 LYS A 64 12.221 3.566 -10.499 1.00 71.01 H new ATOM 933 N ASN A 65 14.786 7.246 -9.473 1.00 35.13 N ATOM 934 CA ASN A 65 13.779 7.677 -8.510 1.00 51.50 C ATOM 935 C ASN A 65 14.445 8.546 -7.445 1.00 74.15 C ATOM 936 O ASN A 65 13.808 8.969 -6.486 1.00 63.04 O ATOM 937 CB ASN A 65 13.160 6.482 -7.789 1.00 13.20 C ATOM 938 CG ASN A 65 12.516 5.446 -8.674 1.00 10.34 C ATOM 939 OD1 ASN A 65 12.038 5.735 -9.749 1.00 54.12 O ATOM 940 ND2 ASN A 65 12.505 4.211 -8.218 1.00 53.23 N ATOM 0 H ASN A 65 15.381 6.489 -9.136 1.00 35.13 H new ATOM 0 HA ASN A 65 13.008 8.222 -9.055 1.00 51.50 H new ATOM 0 HB2 ASN A 65 13.936 5.996 -7.198 1.00 13.20 H new ATOM 0 HB3 ASN A 65 12.411 6.852 -7.089 1.00 13.20 H new ATOM 0 HD21 ASN A 65 12.086 3.466 -8.774 1.00 53.23 H new ATOM 0 HD22 ASN A 65 12.916 3.999 -7.309 1.00 53.23 H new ATOM 947 N GLY A 66 15.742 8.771 -7.604 1.00 52.41 N ATOM 948 CA GLY A 66 16.496 9.563 -6.657 1.00 2.30 C ATOM 949 C GLY A 66 16.870 8.794 -5.394 1.00 61.24 C ATOM 950 O GLY A 66 16.893 9.367 -4.281 1.00 72.12 O ATOM 0 H GLY A 66 16.291 8.412 -8.385 1.00 52.41 H new ATOM 0 HA2 GLY A 66 17.405 9.924 -7.138 1.00 2.30 H new ATOM 0 HA3 GLY A 66 15.912 10.441 -6.381 1.00 2.30 H new ATOM 954 N TYR A 67 17.177 7.509 -5.528 1.00 52.54 N ATOM 955 CA TYR A 67 17.517 6.730 -4.370 1.00 2.53 C ATOM 956 C TYR A 67 19.018 6.720 -4.072 1.00 15.31 C ATOM 957 O TYR A 67 19.849 6.522 -4.964 1.00 30.34 O ATOM 958 CB TYR A 67 16.869 5.336 -4.399 1.00 72.21 C ATOM 959 CG TYR A 67 15.339 5.404 -4.313 1.00 64.25 C ATOM 960 CD1 TYR A 67 14.725 6.262 -3.409 1.00 11.23 C ATOM 961 CD2 TYR A 67 14.517 4.633 -5.124 1.00 35.12 C ATOM 962 CE1 TYR A 67 13.364 6.357 -3.307 1.00 44.20 C ATOM 963 CE2 TYR A 67 13.131 4.727 -5.015 1.00 13.42 C ATOM 964 CZ TYR A 67 12.571 5.595 -4.101 1.00 74.21 C ATOM 965 OH TYR A 67 11.209 5.709 -3.993 1.00 4.51 O ATOM 0 H TYR A 67 17.195 7.003 -6.413 1.00 52.54 H new ATOM 0 HA TYR A 67 17.077 7.236 -3.511 1.00 2.53 H new ATOM 0 HB2 TYR A 67 17.157 4.823 -5.317 1.00 72.21 H new ATOM 0 HB3 TYR A 67 17.251 4.743 -3.569 1.00 72.21 H new ATOM 0 HD1 TYR A 67 15.342 6.873 -2.767 1.00 11.23 H new ATOM 0 HD2 TYR A 67 14.954 3.957 -5.843 1.00 35.12 H new ATOM 0 HE1 TYR A 67 12.921 7.038 -2.595 1.00 44.20 H new ATOM 0 HE2 TYR A 67 12.496 4.121 -5.645 1.00 13.42 H new ATOM 0 HH TYR A 67 10.778 5.100 -4.628 1.00 4.51 H new ATOM 975 N ARG A 68 19.332 7.019 -2.804 1.00 31.03 N ATOM 976 CA ARG A 68 20.656 7.105 -2.262 1.00 73.13 C ATOM 977 C ARG A 68 21.348 5.789 -2.372 1.00 13.21 C ATOM 978 O ARG A 68 20.888 4.835 -1.785 1.00 3.50 O ATOM 979 CB ARG A 68 20.531 7.370 -0.784 1.00 43.50 C ATOM 980 CG ARG A 68 21.822 7.750 -0.139 1.00 12.15 C ATOM 981 CD ARG A 68 21.809 7.479 1.361 1.00 35.33 C ATOM 982 NE ARG A 68 21.861 6.040 1.652 1.00 65.10 N ATOM 983 CZ ARG A 68 20.983 5.340 2.391 1.00 63.44 C ATOM 984 NH1 ARG A 68 19.869 5.900 2.868 1.00 70.55 N ATOM 985 NH2 ARG A 68 21.222 4.085 2.637 1.00 74.01 N ATOM 0 H ARG A 68 18.614 7.215 -2.106 1.00 31.03 H new ATOM 0 HA ARG A 68 21.205 7.880 -2.797 1.00 73.13 H new ATOM 0 HB2 ARG A 68 19.805 8.168 -0.626 1.00 43.50 H new ATOM 0 HB3 ARG A 68 20.137 6.479 -0.295 1.00 43.50 H new ATOM 0 HG2 ARG A 68 22.637 7.193 -0.602 1.00 12.15 H new ATOM 0 HG3 ARG A 68 22.019 8.808 -0.315 1.00 12.15 H new ATOM 0 HD2 ARG A 68 22.659 7.976 1.828 1.00 35.33 H new ATOM 0 HD3 ARG A 68 20.908 7.907 1.801 1.00 35.33 H new ATOM 0 HE ARG A 68 22.642 5.519 1.253 1.00 65.10 H new ATOM 0 HH11 ARG A 68 19.668 6.881 2.674 1.00 70.55 H new ATOM 0 HH12 ARG A 68 19.219 5.347 3.426 1.00 70.55 H new ATOM 0 HH21 ARG A 68 22.066 3.645 2.271 1.00 74.01 H new ATOM 0 HH22 ARG A 68 20.565 3.541 3.196 1.00 74.01 H new ATOM 999 N LEU A 69 22.432 5.740 -3.097 1.00 54.42 N ATOM 1000 CA LEU A 69 23.202 4.530 -3.189 1.00 13.53 C ATOM 1001 C LEU A 69 24.628 4.831 -3.447 1.00 61.22 C ATOM 1002 O LEU A 69 24.972 5.694 -4.284 1.00 20.31 O ATOM 1003 CB LEU A 69 22.750 3.643 -4.335 1.00 2.13 C ATOM 1004 CG LEU A 69 21.318 3.135 -4.333 1.00 74.12 C ATOM 1005 CD1 LEU A 69 21.028 2.462 -5.623 1.00 53.01 C ATOM 1006 CD2 LEU A 69 21.083 2.166 -3.195 1.00 74.44 C ATOM 0 H LEU A 69 22.802 6.525 -3.633 1.00 54.42 H new ATOM 0 HA LEU A 69 23.059 4.022 -2.235 1.00 13.53 H new ATOM 0 HB2 LEU A 69 22.906 4.194 -5.263 1.00 2.13 H new ATOM 0 HB3 LEU A 69 23.410 2.776 -4.364 1.00 2.13 H new ATOM 0 HG LEU A 69 20.653 3.989 -4.200 1.00 74.12 H new ATOM 0 HD11 LEU A 69 20.001 2.098 -5.621 1.00 53.01 H new ATOM 0 HD12 LEU A 69 21.160 3.170 -6.441 1.00 53.01 H new ATOM 0 HD13 LEU A 69 21.710 1.622 -5.757 1.00 53.01 H new ATOM 0 HD21 LEU A 69 20.050 1.820 -3.219 1.00 74.44 H new ATOM 0 HD22 LEU A 69 21.754 1.313 -3.299 1.00 74.44 H new ATOM 0 HD23 LEU A 69 21.276 2.666 -2.246 1.00 74.44 H new ATOM 1018 N THR A 70 25.419 4.162 -2.746 1.00 40.23 N ATOM 1019 CA THR A 70 26.788 4.065 -2.984 1.00 54.31 C ATOM 1020 C THR A 70 26.968 2.597 -3.268 1.00 45.33 C ATOM 1021 O THR A 70 26.300 1.781 -2.638 1.00 23.30 O ATOM 1022 CB THR A 70 27.578 4.443 -1.733 1.00 30.13 C ATOM 1023 OG1 THR A 70 26.961 5.575 -1.117 1.00 21.12 O ATOM 1024 CG2 THR A 70 29.015 4.795 -2.093 1.00 13.04 C ATOM 0 H THR A 70 25.115 3.627 -1.932 1.00 40.23 H new ATOM 0 HA THR A 70 27.133 4.721 -3.783 1.00 54.31 H new ATOM 0 HB THR A 70 27.584 3.594 -1.050 1.00 30.13 H new ATOM 0 HG1 THR A 70 26.150 5.290 -0.647 1.00 21.12 H new ATOM 0 HG21 THR A 70 29.562 5.062 -1.189 1.00 13.04 H new ATOM 0 HG22 THR A 70 29.492 3.937 -2.566 1.00 13.04 H new ATOM 0 HG23 THR A 70 29.021 5.639 -2.783 1.00 13.04 H new ATOM 1032 N LEU A 71 27.846 2.254 -4.174 1.00 1.34 N ATOM 1033 CA LEU A 71 27.979 0.867 -4.659 1.00 53.21 C ATOM 1034 C LEU A 71 28.184 -0.116 -3.512 1.00 1.43 C ATOM 1035 O LEU A 71 27.609 -1.198 -3.483 1.00 54.54 O ATOM 1036 CB LEU A 71 29.138 0.697 -5.656 1.00 34.43 C ATOM 1037 CG LEU A 71 29.115 1.498 -6.986 1.00 5.40 C ATOM 1038 CD1 LEU A 71 27.843 1.249 -7.744 1.00 53.01 C ATOM 1039 CD2 LEU A 71 29.321 2.987 -6.774 1.00 54.21 C ATOM 0 H LEU A 71 28.496 2.910 -4.607 1.00 1.34 H new ATOM 0 HA LEU A 71 27.040 0.650 -5.169 1.00 53.21 H new ATOM 0 HB2 LEU A 71 30.060 0.953 -5.134 1.00 34.43 H new ATOM 0 HB3 LEU A 71 29.199 -0.361 -5.911 1.00 34.43 H new ATOM 0 HG LEU A 71 29.955 1.137 -7.579 1.00 5.40 H new ATOM 0 HD11 LEU A 71 27.854 1.822 -8.671 1.00 53.01 H new ATOM 0 HD12 LEU A 71 27.759 0.187 -7.975 1.00 53.01 H new ATOM 0 HD13 LEU A 71 26.992 1.557 -7.137 1.00 53.01 H new ATOM 0 HD21 LEU A 71 29.296 3.498 -7.736 1.00 54.21 H new ATOM 0 HD22 LEU A 71 28.528 3.377 -6.135 1.00 54.21 H new ATOM 0 HD23 LEU A 71 30.287 3.157 -6.298 1.00 54.21 H new ATOM 1051 N ARG A 72 28.941 0.321 -2.538 1.00 62.32 N ATOM 1052 CA ARG A 72 29.307 -0.493 -1.412 1.00 20.24 C ATOM 1053 C ARG A 72 28.103 -0.831 -0.514 1.00 43.14 C ATOM 1054 O ARG A 72 28.137 -1.844 0.158 1.00 44.32 O ATOM 1055 CB ARG A 72 30.445 0.184 -0.618 1.00 5.14 C ATOM 1056 CG ARG A 72 30.919 -0.577 0.619 1.00 73.13 C ATOM 1057 CD ARG A 72 31.417 -1.981 0.271 1.00 51.50 C ATOM 1058 NE ARG A 72 31.811 -2.754 1.468 1.00 5.42 N ATOM 1059 CZ ARG A 72 31.411 -4.021 1.737 1.00 4.33 C ATOM 1060 NH1 ARG A 72 30.531 -4.627 0.939 1.00 11.22 N ATOM 1061 NH2 ARG A 72 31.876 -4.660 2.819 1.00 71.40 N ATOM 0 H ARG A 72 29.325 1.266 -2.506 1.00 62.32 H new ATOM 0 HA ARG A 72 29.671 -1.447 -1.793 1.00 20.24 H new ATOM 0 HB2 ARG A 72 31.296 0.327 -1.284 1.00 5.14 H new ATOM 0 HB3 ARG A 72 30.111 1.175 -0.309 1.00 5.14 H new ATOM 0 HG2 ARG A 72 31.719 -0.018 1.104 1.00 73.13 H new ATOM 0 HG3 ARG A 72 30.101 -0.650 1.336 1.00 73.13 H new ATOM 0 HD2 ARG A 72 30.634 -2.519 -0.263 1.00 51.50 H new ATOM 0 HD3 ARG A 72 32.269 -1.904 -0.405 1.00 51.50 H new ATOM 0 HE ARG A 72 32.429 -2.301 2.141 1.00 5.42 H new ATOM 0 HH11 ARG A 72 30.158 -4.137 0.126 1.00 11.22 H new ATOM 0 HH12 ARG A 72 30.231 -5.580 1.142 1.00 11.22 H new ATOM 0 HH21 ARG A 72 32.533 -4.193 3.444 1.00 71.40 H new ATOM 0 HH22 ARG A 72 31.573 -5.613 3.018 1.00 71.40 H new ATOM 1075 N GLU A 73 27.032 -0.028 -0.559 1.00 0.34 N ATOM 1076 CA GLU A 73 25.862 -0.283 0.293 1.00 71.54 C ATOM 1077 C GLU A 73 25.154 -1.546 -0.173 1.00 2.01 C ATOM 1078 O GLU A 73 24.776 -2.409 0.625 1.00 72.11 O ATOM 1079 CB GLU A 73 24.891 0.911 0.262 1.00 73.35 C ATOM 1080 CG GLU A 73 25.476 2.195 0.833 1.00 45.35 C ATOM 1081 CD GLU A 73 24.539 3.390 0.712 1.00 20.33 C ATOM 1082 OE1 GLU A 73 23.592 3.507 1.506 1.00 15.23 O ATOM 1083 OE2 GLU A 73 24.768 4.232 -0.179 1.00 64.05 O ATOM 0 H GLU A 73 26.950 0.789 -1.164 1.00 0.34 H new ATOM 0 HA GLU A 73 26.202 -0.418 1.320 1.00 71.54 H new ATOM 0 HB2 GLU A 73 24.583 1.090 -0.768 1.00 73.35 H new ATOM 0 HB3 GLU A 73 23.993 0.651 0.823 1.00 73.35 H new ATOM 0 HG2 GLU A 73 25.721 2.039 1.884 1.00 45.35 H new ATOM 0 HG3 GLU A 73 26.410 2.421 0.318 1.00 45.35 H new ATOM 1090 N LEU A 74 25.073 -1.689 -1.474 1.00 0.35 N ATOM 1091 CA LEU A 74 24.370 -2.803 -2.086 1.00 43.45 C ATOM 1092 C LEU A 74 25.186 -4.072 -2.002 1.00 23.24 C ATOM 1093 O LEU A 74 24.647 -5.158 -1.986 1.00 32.34 O ATOM 1094 CB LEU A 74 23.990 -2.494 -3.533 1.00 55.11 C ATOM 1095 CG LEU A 74 23.266 -1.172 -3.735 1.00 40.13 C ATOM 1096 CD1 LEU A 74 24.240 -0.053 -4.086 1.00 32.05 C ATOM 1097 CD2 LEU A 74 22.130 -1.293 -4.726 1.00 32.15 C ATOM 0 H LEU A 74 25.490 -1.040 -2.142 1.00 0.35 H new ATOM 0 HA LEU A 74 23.447 -2.957 -1.526 1.00 43.45 H new ATOM 0 HB2 LEU A 74 24.896 -2.492 -4.139 1.00 55.11 H new ATOM 0 HB3 LEU A 74 23.358 -3.299 -3.907 1.00 55.11 H new ATOM 0 HG LEU A 74 22.807 -0.900 -2.785 1.00 40.13 H new ATOM 0 HD11 LEU A 74 23.690 0.878 -4.224 1.00 32.05 H new ATOM 0 HD12 LEU A 74 24.962 0.068 -3.278 1.00 32.05 H new ATOM 0 HD13 LEU A 74 24.765 -0.304 -5.007 1.00 32.05 H new ATOM 0 HD21 LEU A 74 21.641 -0.325 -4.839 1.00 32.15 H new ATOM 0 HD22 LEU A 74 22.521 -1.617 -5.690 1.00 32.15 H new ATOM 0 HD23 LEU A 74 21.407 -2.024 -4.364 1.00 32.15 H new ATOM 1109 N TYR A 75 26.491 -3.911 -1.938 1.00 44.31 N ATOM 1110 CA TYR A 75 27.412 -5.032 -1.770 1.00 0.13 C ATOM 1111 C TYR A 75 27.619 -5.342 -0.314 1.00 61.24 C ATOM 1112 O TYR A 75 28.348 -6.275 0.032 1.00 25.53 O ATOM 1113 CB TYR A 75 28.768 -4.701 -2.362 1.00 44.32 C ATOM 1114 CG TYR A 75 28.833 -4.761 -3.845 1.00 40.11 C ATOM 1115 CD1 TYR A 75 28.737 -5.971 -4.502 1.00 60.32 C ATOM 1116 CD2 TYR A 75 29.012 -3.623 -4.583 1.00 44.24 C ATOM 1117 CE1 TYR A 75 28.821 -6.034 -5.884 1.00 33.52 C ATOM 1118 CE2 TYR A 75 29.099 -3.666 -5.949 1.00 2.45 C ATOM 1119 CZ TYR A 75 29.005 -4.874 -6.596 1.00 63.31 C ATOM 1120 OH TYR A 75 29.091 -4.916 -7.949 1.00 5.12 O ATOM 0 H TYR A 75 26.950 -3.002 -2.000 1.00 44.31 H new ATOM 0 HA TYR A 75 26.971 -5.889 -2.279 1.00 0.13 H new ATOM 0 HB2 TYR A 75 29.054 -3.700 -2.040 1.00 44.32 H new ATOM 0 HB3 TYR A 75 29.506 -5.391 -1.952 1.00 44.32 H new ATOM 0 HD1 TYR A 75 28.595 -6.878 -3.933 1.00 60.32 H new ATOM 0 HD2 TYR A 75 29.086 -2.671 -4.078 1.00 44.24 H new ATOM 0 HE1 TYR A 75 28.743 -6.983 -6.394 1.00 33.52 H new ATOM 0 HE2 TYR A 75 29.241 -2.756 -6.514 1.00 2.45 H new ATOM 0 HH TYR A 75 28.560 -5.667 -8.287 1.00 5.12 H new ATOM 1130 N ALA A 76 27.063 -4.534 0.546 1.00 53.20 N ATOM 1131 CA ALA A 76 27.224 -4.770 1.947 1.00 65.35 C ATOM 1132 C ALA A 76 26.134 -5.692 2.410 1.00 64.53 C ATOM 1133 O ALA A 76 26.393 -6.725 3.020 1.00 13.32 O ATOM 1134 CB ALA A 76 27.240 -3.478 2.751 1.00 54.35 C ATOM 0 H ALA A 76 26.502 -3.718 0.303 1.00 53.20 H new ATOM 0 HA ALA A 76 28.194 -5.238 2.114 1.00 65.35 H new ATOM 0 HB1 ALA A 76 27.364 -3.709 3.809 1.00 54.35 H new ATOM 0 HB2 ALA A 76 28.067 -2.852 2.417 1.00 54.35 H new ATOM 0 HB3 ALA A 76 26.300 -2.946 2.604 1.00 54.35 H new ATOM 1140 N ALA A 77 24.916 -5.333 2.085 1.00 50.22 N ATOM 1141 CA ALA A 77 23.790 -6.165 2.382 1.00 61.43 C ATOM 1142 C ALA A 77 22.999 -6.421 1.106 1.00 32.01 C ATOM 1143 O ALA A 77 21.984 -5.766 0.846 1.00 1.23 O ATOM 1144 CB ALA A 77 22.912 -5.554 3.469 1.00 22.32 C ATOM 0 H ALA A 77 24.685 -4.460 1.610 1.00 50.22 H new ATOM 0 HA ALA A 77 24.151 -7.117 2.771 1.00 61.43 H new ATOM 0 HB1 ALA A 77 22.067 -6.213 3.668 1.00 22.32 H new ATOM 0 HB2 ALA A 77 23.496 -5.428 4.380 1.00 22.32 H new ATOM 0 HB3 ALA A 77 22.544 -4.583 3.137 1.00 22.32 H new ATOM 1150 N PRO A 78 23.490 -7.323 0.240 1.00 75.11 N ATOM 1151 CA PRO A 78 22.824 -7.649 -1.000 1.00 33.23 C ATOM 1152 C PRO A 78 21.652 -8.557 -0.741 1.00 60.33 C ATOM 1153 O PRO A 78 21.773 -9.787 -0.727 1.00 20.00 O ATOM 1154 CB PRO A 78 23.905 -8.359 -1.833 1.00 54.41 C ATOM 1155 CG PRO A 78 25.160 -8.221 -1.028 1.00 52.20 C ATOM 1156 CD PRO A 78 24.720 -8.083 0.386 1.00 21.10 C ATOM 0 HA PRO A 78 22.422 -6.773 -1.510 1.00 33.23 H new ATOM 0 HB2 PRO A 78 23.653 -9.407 -1.997 1.00 54.41 H new ATOM 0 HB3 PRO A 78 24.013 -7.900 -2.816 1.00 54.41 H new ATOM 0 HG2 PRO A 78 25.803 -9.092 -1.154 1.00 52.20 H new ATOM 0 HG3 PRO A 78 25.735 -7.351 -1.346 1.00 52.20 H new ATOM 0 HD2 PRO A 78 24.549 -9.051 0.858 1.00 21.10 H new ATOM 0 HD3 PRO A 78 25.456 -7.557 0.994 1.00 21.10 H new ATOM 1164 N THR A 79 20.550 -7.931 -0.476 1.00 13.45 N ATOM 1165 CA THR A 79 19.310 -8.553 -0.152 1.00 12.42 C ATOM 1166 C THR A 79 18.249 -7.613 -0.669 1.00 53.30 C ATOM 1167 O THR A 79 18.460 -6.397 -0.620 1.00 72.41 O ATOM 1168 CB THR A 79 19.160 -8.678 1.401 1.00 74.44 C ATOM 1169 OG1 THR A 79 19.398 -7.404 2.010 1.00 64.14 O ATOM 1170 CG2 THR A 79 20.119 -9.709 2.002 1.00 64.45 C ATOM 0 H THR A 79 20.490 -6.913 -0.481 1.00 13.45 H new ATOM 0 HA THR A 79 19.237 -9.552 -0.582 1.00 12.42 H new ATOM 0 HB THR A 79 18.143 -9.017 1.600 1.00 74.44 H new ATOM 0 HG1 THR A 79 19.302 -7.483 2.982 1.00 64.14 H new ATOM 0 HG21 THR A 79 19.973 -9.756 3.081 1.00 64.45 H new ATOM 0 HG22 THR A 79 19.920 -10.688 1.566 1.00 64.45 H new ATOM 0 HG23 THR A 79 21.147 -9.418 1.787 1.00 64.45 H new ATOM 1178 N LEU A 80 17.147 -8.122 -1.182 1.00 21.33 N ATOM 1179 CA LEU A 80 16.103 -7.237 -1.697 1.00 21.14 C ATOM 1180 C LEU A 80 15.560 -6.392 -0.582 1.00 34.50 C ATOM 1181 O LEU A 80 15.301 -5.230 -0.767 1.00 11.41 O ATOM 1182 CB LEU A 80 14.971 -8.005 -2.311 1.00 34.33 C ATOM 1183 CG LEU A 80 15.319 -8.936 -3.446 1.00 10.53 C ATOM 1184 CD1 LEU A 80 14.096 -9.688 -3.829 1.00 60.12 C ATOM 1185 CD2 LEU A 80 15.813 -8.170 -4.652 1.00 74.34 C ATOM 0 H LEU A 80 16.946 -9.119 -1.256 1.00 21.33 H new ATOM 0 HA LEU A 80 16.556 -6.614 -2.468 1.00 21.14 H new ATOM 0 HB2 LEU A 80 14.492 -8.590 -1.526 1.00 34.33 H new ATOM 0 HB3 LEU A 80 14.232 -7.290 -2.672 1.00 34.33 H new ATOM 0 HG LEU A 80 16.111 -9.609 -3.116 1.00 10.53 H new ATOM 0 HD11 LEU A 80 14.328 -10.367 -4.649 1.00 60.12 H new ATOM 0 HD12 LEU A 80 13.739 -10.261 -2.974 1.00 60.12 H new ATOM 0 HD13 LEU A 80 13.323 -8.988 -4.145 1.00 60.12 H new ATOM 0 HD21 LEU A 80 16.056 -8.869 -5.453 1.00 74.34 H new ATOM 0 HD22 LEU A 80 15.036 -7.485 -4.991 1.00 74.34 H new ATOM 0 HD23 LEU A 80 16.704 -7.603 -4.383 1.00 74.34 H new ATOM 1197 N ALA A 81 15.431 -7.008 0.575 1.00 23.02 N ATOM 1198 CA ALA A 81 14.957 -6.362 1.796 1.00 42.25 C ATOM 1199 C ALA A 81 15.724 -5.075 2.095 1.00 52.44 C ATOM 1200 O ALA A 81 15.122 -4.009 2.254 1.00 70.21 O ATOM 1201 CB ALA A 81 15.058 -7.325 2.973 1.00 10.24 C ATOM 0 H ALA A 81 15.656 -7.995 0.702 1.00 23.02 H new ATOM 0 HA ALA A 81 13.913 -6.091 1.642 1.00 42.25 H new ATOM 0 HB1 ALA A 81 14.702 -6.832 3.878 1.00 10.24 H new ATOM 0 HB2 ALA A 81 14.448 -8.206 2.775 1.00 10.24 H new ATOM 0 HB3 ALA A 81 16.097 -7.626 3.109 1.00 10.24 H new ATOM 1207 N ALA A 82 17.054 -5.157 2.132 1.00 71.11 N ATOM 1208 CA ALA A 82 17.866 -3.980 2.414 1.00 41.25 C ATOM 1209 C ALA A 82 17.760 -2.974 1.287 1.00 43.33 C ATOM 1210 O ALA A 82 17.671 -1.779 1.527 1.00 5.21 O ATOM 1211 CB ALA A 82 19.316 -4.349 2.663 1.00 52.23 C ATOM 0 H ALA A 82 17.583 -6.014 1.972 1.00 71.11 H new ATOM 0 HA ALA A 82 17.479 -3.525 3.325 1.00 41.25 H new ATOM 0 HB1 ALA A 82 19.891 -3.446 2.870 1.00 52.23 H new ATOM 0 HB2 ALA A 82 19.378 -5.023 3.518 1.00 52.23 H new ATOM 0 HB3 ALA A 82 19.722 -4.844 1.781 1.00 52.23 H new ATOM 1217 N TRP A 83 17.717 -3.468 0.060 1.00 2.21 N ATOM 1218 CA TRP A 83 17.619 -2.602 -1.112 1.00 22.13 C ATOM 1219 C TRP A 83 16.271 -1.893 -1.133 1.00 1.24 C ATOM 1220 O TRP A 83 16.158 -0.745 -1.561 1.00 21.42 O ATOM 1221 CB TRP A 83 17.839 -3.391 -2.406 1.00 41.03 C ATOM 1222 CG TRP A 83 19.202 -4.032 -2.540 1.00 34.13 C ATOM 1223 CD1 TRP A 83 20.226 -4.050 -1.623 1.00 71.13 C ATOM 1224 CD2 TRP A 83 19.668 -4.761 -3.666 1.00 51.53 C ATOM 1225 NE1 TRP A 83 21.279 -4.780 -2.110 1.00 32.52 N ATOM 1226 CE2 TRP A 83 20.963 -5.222 -3.367 1.00 25.33 C ATOM 1227 CE3 TRP A 83 19.107 -5.074 -4.897 1.00 32.14 C ATOM 1228 CZ2 TRP A 83 21.697 -5.986 -4.260 1.00 34.40 C ATOM 1229 CZ3 TRP A 83 19.838 -5.830 -5.787 1.00 23.11 C ATOM 1230 CH2 TRP A 83 21.118 -6.283 -5.465 1.00 63.31 C ATOM 0 H TRP A 83 17.748 -4.465 -0.154 1.00 2.21 H new ATOM 0 HA TRP A 83 18.407 -1.851 -1.046 1.00 22.13 H new ATOM 0 HB2 TRP A 83 17.080 -4.170 -2.472 1.00 41.03 H new ATOM 0 HB3 TRP A 83 17.684 -2.722 -3.252 1.00 41.03 H new ATOM 0 HD1 TRP A 83 20.204 -3.561 -0.660 1.00 71.13 H new ATOM 0 HE1 TRP A 83 22.153 -4.964 -1.618 1.00 32.52 H new ATOM 0 HE3 TRP A 83 18.115 -4.731 -5.152 1.00 32.14 H new ATOM 0 HZ2 TRP A 83 22.689 -6.335 -4.015 1.00 34.40 H new ATOM 0 HZ3 TRP A 83 19.414 -6.076 -6.749 1.00 23.11 H new ATOM 0 HH2 TRP A 83 21.663 -6.880 -6.181 1.00 63.31 H new ATOM 1241 N ASN A 84 15.268 -2.582 -0.652 1.00 22.03 N ATOM 1242 CA ASN A 84 13.937 -2.045 -0.514 1.00 73.11 C ATOM 1243 C ASN A 84 13.935 -0.935 0.515 1.00 54.23 C ATOM 1244 O ASN A 84 13.313 0.081 0.311 1.00 55.31 O ATOM 1245 CB ASN A 84 12.944 -3.158 -0.135 1.00 5.21 C ATOM 1246 CG ASN A 84 11.525 -2.666 0.066 1.00 61.44 C ATOM 1247 OD1 ASN A 84 10.749 -2.579 -0.876 1.00 2.34 O ATOM 1248 ND2 ASN A 84 11.166 -2.371 1.291 1.00 75.43 N ATOM 0 H ASN A 84 15.354 -3.549 -0.340 1.00 22.03 H new ATOM 0 HA ASN A 84 13.619 -1.628 -1.470 1.00 73.11 H new ATOM 0 HB2 ASN A 84 12.948 -3.918 -0.916 1.00 5.21 H new ATOM 0 HB3 ASN A 84 13.285 -3.640 0.781 1.00 5.21 H new ATOM 0 HD21 ASN A 84 10.214 -2.058 1.482 1.00 75.43 H new ATOM 0 HD22 ASN A 84 11.838 -2.455 2.054 1.00 75.43 H new ATOM 1255 N GLN A 85 14.681 -1.117 1.598 1.00 74.42 N ATOM 1256 CA GLN A 85 14.781 -0.090 2.638 1.00 71.23 C ATOM 1257 C GLN A 85 15.513 1.140 2.119 1.00 3.11 C ATOM 1258 O GLN A 85 15.118 2.281 2.418 1.00 42.13 O ATOM 1259 CB GLN A 85 15.452 -0.624 3.899 1.00 2.42 C ATOM 1260 CG GLN A 85 14.703 -1.772 4.556 1.00 13.03 C ATOM 1261 CD GLN A 85 13.237 -1.456 4.778 1.00 3.42 C ATOM 1262 OE1 GLN A 85 12.383 -1.760 3.928 1.00 74.24 O ATOM 1263 NE2 GLN A 85 12.938 -0.805 5.860 1.00 42.20 N ATOM 0 H GLN A 85 15.225 -1.960 1.782 1.00 74.42 H new ATOM 0 HA GLN A 85 13.765 0.200 2.905 1.00 71.23 H new ATOM 0 HB2 GLN A 85 16.460 -0.956 3.650 1.00 2.42 H new ATOM 0 HB3 GLN A 85 15.553 0.190 4.617 1.00 2.42 H new ATOM 0 HG2 GLN A 85 14.789 -2.662 3.933 1.00 13.03 H new ATOM 0 HG3 GLN A 85 15.170 -2.006 5.513 1.00 13.03 H new ATOM 0 HE21 GLN A 85 13.668 -0.574 6.534 1.00 42.20 H new ATOM 0 HE22 GLN A 85 11.973 -0.524 6.036 1.00 42.20 H new ATOM 1272 N LEU A 86 16.558 0.895 1.301 1.00 24.55 N ATOM 1273 CA LEU A 86 17.320 1.961 0.634 1.00 72.44 C ATOM 1274 C LEU A 86 16.372 2.864 -0.152 1.00 14.44 C ATOM 1275 O LEU A 86 16.544 4.085 -0.219 1.00 3.24 O ATOM 1276 CB LEU A 86 18.344 1.358 -0.337 1.00 64.14 C ATOM 1277 CG LEU A 86 19.422 0.476 0.288 1.00 51.42 C ATOM 1278 CD1 LEU A 86 20.260 -0.163 -0.784 1.00 42.25 C ATOM 1279 CD2 LEU A 86 20.328 1.286 1.175 1.00 62.21 C ATOM 0 H LEU A 86 16.893 -0.045 1.088 1.00 24.55 H new ATOM 0 HA LEU A 86 17.839 2.540 1.397 1.00 72.44 H new ATOM 0 HB2 LEU A 86 17.807 0.769 -1.080 1.00 64.14 H new ATOM 0 HB3 LEU A 86 18.834 2.173 -0.870 1.00 64.14 H new ATOM 0 HG LEU A 86 18.919 -0.290 0.879 1.00 51.42 H new ATOM 0 HD11 LEU A 86 21.024 -0.789 -0.324 1.00 42.25 H new ATOM 0 HD12 LEU A 86 19.626 -0.776 -1.424 1.00 42.25 H new ATOM 0 HD13 LEU A 86 20.738 0.612 -1.383 1.00 42.25 H new ATOM 0 HD21 LEU A 86 21.088 0.636 1.609 1.00 62.21 H new ATOM 0 HD22 LEU A 86 20.811 2.066 0.587 1.00 62.21 H new ATOM 0 HD23 LEU A 86 19.743 1.743 1.973 1.00 62.21 H new ATOM 1291 N MET A 87 15.363 2.239 -0.742 1.00 73.41 N ATOM 1292 CA MET A 87 14.359 2.940 -1.502 1.00 64.02 C ATOM 1293 C MET A 87 13.286 3.537 -0.594 1.00 62.11 C ATOM 1294 O MET A 87 13.005 4.739 -0.652 1.00 12.21 O ATOM 1295 CB MET A 87 13.715 2.029 -2.547 1.00 42.41 C ATOM 1296 CG MET A 87 14.693 1.491 -3.583 1.00 61.31 C ATOM 1297 SD MET A 87 13.876 0.633 -4.941 1.00 54.45 S ATOM 1298 CE MET A 87 12.993 -0.629 -4.045 1.00 42.12 C ATOM 0 H MET A 87 15.225 1.229 -0.702 1.00 73.41 H new ATOM 0 HA MET A 87 14.863 3.756 -2.019 1.00 64.02 H new ATOM 0 HB2 MET A 87 13.240 1.189 -2.040 1.00 42.41 H new ATOM 0 HB3 MET A 87 12.926 2.580 -3.058 1.00 42.41 H new ATOM 0 HG2 MET A 87 15.281 2.317 -3.983 1.00 61.31 H new ATOM 0 HG3 MET A 87 15.391 0.809 -3.097 1.00 61.31 H new ATOM 0 HE1 MET A 87 12.477 -1.281 -4.749 1.00 42.12 H new ATOM 0 HE2 MET A 87 13.697 -1.216 -3.455 1.00 42.12 H new ATOM 0 HE3 MET A 87 12.265 -0.162 -3.382 1.00 42.12 H new ATOM 1308 N LEU A 88 12.728 2.701 0.270 1.00 74.01 N ATOM 1309 CA LEU A 88 11.624 3.087 1.129 1.00 3.40 C ATOM 1310 C LEU A 88 11.896 4.241 2.041 1.00 53.32 C ATOM 1311 O LEU A 88 11.176 5.274 1.996 1.00 0.24 O ATOM 1312 CB LEU A 88 11.157 1.936 2.010 1.00 71.03 C ATOM 1313 CG LEU A 88 10.015 1.078 1.507 1.00 64.33 C ATOM 1314 CD1 LEU A 88 9.607 0.123 2.598 1.00 14.11 C ATOM 1315 CD2 LEU A 88 8.841 1.949 1.118 1.00 61.04 C ATOM 0 H LEU A 88 13.031 1.735 0.393 1.00 74.01 H new ATOM 0 HA LEU A 88 10.860 3.388 0.412 1.00 3.40 H new ATOM 0 HB2 LEU A 88 12.012 1.284 2.189 1.00 71.03 H new ATOM 0 HB3 LEU A 88 10.864 2.350 2.975 1.00 71.03 H new ATOM 0 HG LEU A 88 10.337 0.519 0.628 1.00 64.33 H new ATOM 0 HD11 LEU A 88 8.785 -0.500 2.247 1.00 14.11 H new ATOM 0 HD12 LEU A 88 10.454 -0.509 2.864 1.00 14.11 H new ATOM 0 HD13 LEU A 88 9.286 0.687 3.474 1.00 14.11 H new ATOM 0 HD21 LEU A 88 8.026 1.321 0.758 1.00 61.04 H new ATOM 0 HD22 LEU A 88 8.506 2.517 1.986 1.00 61.04 H new ATOM 0 HD23 LEU A 88 9.144 2.638 0.329 1.00 61.04 H new