USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 27 SER OG : rot 64:sc= 1.94 USER MOD Set 1.2: A 40 LYS NZ :NH3+ -165:sc= -0.242 (180deg=-0.76) USER MOD Single : A 6 THR OG1 : rot 122:sc= 0.721 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0191) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 25 ASN : amide:sc= -0.0687 K(o=-0.069,f=-1.1) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -2.6 K(o=-2.6,f=-3.2) USER MOD Single : A 32 TYR OH : rot 165:sc=-0.00663 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -13:sc= -0.412! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -145:sc= -1.41 (180deg=-4.51!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 104:sc= 0.0726 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 78 MET CE :methyl -161:sc= -1.67 (180deg=-1.94) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0514) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.79) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 96 THR OG1 : rot -87:sc= 1.21 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ 174:sc= 0.718 (180deg=0.509) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 6.480 -8.650 -7.646 1.00 63.14 N ATOM 43 CA LEU A 2 7.829 -8.380 -8.134 1.00 34.13 C ATOM 44 C LEU A 2 8.752 -9.564 -7.865 1.00 0.13 C ATOM 45 O LEU A 2 8.696 -10.179 -6.800 1.00 31.04 O ATOM 46 CB LEU A 2 8.389 -7.121 -7.471 1.00 11.52 C ATOM 47 CG LEU A 2 8.820 -7.266 -6.011 1.00 44.40 C ATOM 48 CD1 LEU A 2 10.336 -7.344 -5.908 1.00 13.44 C ATOM 49 CD2 LEU A 2 8.286 -6.109 -5.179 1.00 41.44 C ATOM 0 HA LEU A 2 7.775 -8.223 -9.211 1.00 34.13 H new ATOM 0 HB2 LEU A 2 9.247 -6.781 -8.050 1.00 11.52 H new ATOM 0 HB3 LEU A 2 7.634 -6.337 -7.530 1.00 11.52 H new ATOM 0 HG LEU A 2 8.401 -8.193 -5.619 1.00 44.40 H new ATOM 0 HD11 LEU A 2 10.625 -7.447 -4.862 1.00 13.44 H new ATOM 0 HD12 LEU A 2 10.695 -8.206 -6.470 1.00 13.44 H new ATOM 0 HD13 LEU A 2 10.776 -6.435 -6.318 1.00 13.44 H new ATOM 0 HD21 LEU A 2 8.603 -6.229 -4.143 1.00 41.44 H new ATOM 0 HD22 LEU A 2 8.675 -5.169 -5.571 1.00 41.44 H new ATOM 0 HD23 LEU A 2 7.197 -6.099 -5.227 1.00 41.44 H new ATOM 61 N PHE A 3 9.603 -9.877 -8.836 1.00 40.43 N ATOM 62 CA PHE A 3 10.540 -10.986 -8.704 1.00 62.01 C ATOM 63 C PHE A 3 11.978 -10.507 -8.880 1.00 22.02 C ATOM 64 O PHE A 3 12.222 -9.417 -9.396 1.00 11.21 O ATOM 65 CB PHE A 3 10.224 -12.074 -9.732 1.00 52.15 C ATOM 66 CG PHE A 3 9.030 -12.911 -9.372 1.00 12.31 C ATOM 67 CD1 PHE A 3 7.778 -12.333 -9.235 1.00 50.23 C ATOM 68 CD2 PHE A 3 9.159 -14.275 -9.169 1.00 24.21 C ATOM 69 CE1 PHE A 3 6.677 -13.100 -8.904 1.00 30.01 C ATOM 70 CE2 PHE A 3 8.062 -15.047 -8.838 1.00 21.52 C ATOM 71 CZ PHE A 3 6.820 -14.459 -8.704 1.00 33.11 C ATOM 0 H PHE A 3 9.663 -9.378 -9.724 1.00 40.43 H new ATOM 0 HA PHE A 3 10.434 -11.401 -7.702 1.00 62.01 H new ATOM 0 HB2 PHE A 3 10.051 -11.607 -10.702 1.00 52.15 H new ATOM 0 HB3 PHE A 3 11.093 -12.723 -9.841 1.00 52.15 H new ATOM 0 HD1 PHE A 3 7.661 -11.270 -9.389 1.00 50.23 H new ATOM 0 HD2 PHE A 3 10.128 -14.740 -9.271 1.00 24.21 H new ATOM 0 HE1 PHE A 3 5.706 -12.637 -8.802 1.00 30.01 H new ATOM 0 HE2 PHE A 3 8.176 -16.110 -8.684 1.00 21.52 H new ATOM 0 HZ PHE A 3 5.962 -15.061 -8.443 1.00 33.11 H new ATOM 81 N ALA A 4 12.927 -11.330 -8.446 1.00 31.42 N ATOM 82 CA ALA A 4 14.341 -10.993 -8.556 1.00 14.41 C ATOM 83 C ALA A 4 15.150 -12.179 -9.069 1.00 41.42 C ATOM 84 O ALA A 4 14.683 -13.318 -9.048 1.00 3.41 O ATOM 85 CB ALA A 4 14.878 -10.527 -7.211 1.00 2.31 C ATOM 0 H ALA A 4 12.742 -12.236 -8.015 1.00 31.42 H new ATOM 0 HA ALA A 4 14.441 -10.181 -9.276 1.00 14.41 H new ATOM 0 HB1 ALA A 4 15.935 -10.279 -7.307 1.00 2.31 H new ATOM 0 HB2 ALA A 4 14.326 -9.645 -6.885 1.00 2.31 H new ATOM 0 HB3 ALA A 4 14.758 -11.323 -6.476 1.00 2.31 H new ATOM 91 N VAL A 5 16.366 -11.904 -9.531 1.00 51.10 N ATOM 92 CA VAL A 5 17.241 -12.949 -10.050 1.00 13.43 C ATOM 93 C VAL A 5 18.607 -12.906 -9.375 1.00 44.04 C ATOM 94 O VAL A 5 19.280 -11.875 -9.374 1.00 43.53 O ATOM 95 CB VAL A 5 17.428 -12.819 -11.573 1.00 51.00 C ATOM 96 CG1 VAL A 5 17.982 -11.448 -11.928 1.00 41.33 C ATOM 97 CG2 VAL A 5 18.337 -13.922 -12.093 1.00 42.25 C ATOM 0 H VAL A 5 16.767 -10.967 -9.556 1.00 51.10 H new ATOM 0 HA VAL A 5 16.761 -13.903 -9.831 1.00 13.43 H new ATOM 0 HB VAL A 5 16.455 -12.925 -12.052 1.00 51.00 H new ATOM 0 HG11 VAL A 5 18.107 -11.375 -13.008 1.00 41.33 H new ATOM 0 HG12 VAL A 5 17.289 -10.677 -11.590 1.00 41.33 H new ATOM 0 HG13 VAL A 5 18.947 -11.308 -11.440 1.00 41.33 H new ATOM 0 HG21 VAL A 5 18.459 -13.815 -13.171 1.00 42.25 H new ATOM 0 HG22 VAL A 5 19.311 -13.849 -11.609 1.00 42.25 H new ATOM 0 HG23 VAL A 5 17.894 -14.893 -11.872 1.00 42.25 H new ATOM 107 N THR A 6 19.014 -14.034 -8.802 1.00 33.44 N ATOM 108 CA THR A 6 20.300 -14.127 -8.123 1.00 1.52 C ATOM 109 C THR A 6 21.453 -14.038 -9.116 1.00 23.22 C ATOM 110 O THR A 6 21.351 -14.517 -10.246 1.00 52.43 O ATOM 111 CB THR A 6 20.422 -15.440 -7.327 1.00 4.42 C ATOM 112 OG1 THR A 6 19.433 -16.375 -7.769 1.00 55.23 O ATOM 113 CG2 THR A 6 20.257 -15.186 -5.836 1.00 2.10 C ATOM 0 H THR A 6 18.471 -14.897 -8.795 1.00 33.44 H new ATOM 0 HA THR A 6 20.354 -13.286 -7.431 1.00 1.52 H new ATOM 0 HB THR A 6 21.415 -15.854 -7.501 1.00 4.42 H new ATOM 0 HG1 THR A 6 19.873 -17.194 -8.081 1.00 55.23 H new ATOM 0 HG21 THR A 6 20.347 -16.128 -5.294 1.00 2.10 H new ATOM 0 HG22 THR A 6 21.030 -14.497 -5.497 1.00 2.10 H new ATOM 0 HG23 THR A 6 19.275 -14.751 -5.647 1.00 2.10 H new ATOM 121 N LEU A 7 22.551 -13.425 -8.687 1.00 51.35 N ATOM 122 CA LEU A 7 23.725 -13.274 -9.540 1.00 24.44 C ATOM 123 C LEU A 7 24.905 -14.068 -8.986 1.00 74.25 C ATOM 124 O LEU A 7 25.901 -14.281 -9.677 1.00 63.33 O ATOM 125 CB LEU A 7 24.104 -11.797 -9.664 1.00 73.53 C ATOM 126 CG LEU A 7 23.015 -10.869 -10.205 1.00 25.21 C ATOM 127 CD1 LEU A 7 23.289 -9.431 -9.795 1.00 12.44 C ATOM 128 CD2 LEU A 7 22.920 -10.985 -11.719 1.00 53.22 C ATOM 0 H LEU A 7 22.653 -13.025 -7.754 1.00 51.35 H new ATOM 0 HA LEU A 7 23.479 -13.664 -10.528 1.00 24.44 H new ATOM 0 HB2 LEU A 7 24.406 -11.436 -8.681 1.00 73.53 H new ATOM 0 HB3 LEU A 7 24.976 -11.719 -10.314 1.00 73.53 H new ATOM 0 HG LEU A 7 22.059 -11.172 -9.777 1.00 25.21 H new ATOM 0 HD11 LEU A 7 22.504 -8.785 -10.188 1.00 12.44 H new ATOM 0 HD12 LEU A 7 23.306 -9.360 -8.707 1.00 12.44 H new ATOM 0 HD13 LEU A 7 24.253 -9.116 -10.195 1.00 12.44 H new ATOM 0 HD21 LEU A 7 22.140 -10.318 -12.087 1.00 53.22 H new ATOM 0 HD22 LEU A 7 23.875 -10.708 -12.166 1.00 53.22 H new ATOM 0 HD23 LEU A 7 22.677 -12.012 -11.991 1.00 53.22 H new ATOM 140 N TYR A 8 24.783 -14.505 -7.738 1.00 3.11 N ATOM 141 CA TYR A 8 25.839 -15.275 -7.092 1.00 22.33 C ATOM 142 C TYR A 8 25.255 -16.431 -6.285 1.00 73.14 C ATOM 143 O TYR A 8 24.043 -16.515 -6.091 1.00 34.40 O ATOM 144 CB TYR A 8 26.673 -14.373 -6.180 1.00 72.12 C ATOM 145 CG TYR A 8 27.313 -13.209 -6.902 1.00 12.21 C ATOM 146 CD1 TYR A 8 26.569 -12.088 -7.249 1.00 12.30 C ATOM 147 CD2 TYR A 8 28.661 -13.230 -7.238 1.00 12.14 C ATOM 148 CE1 TYR A 8 27.149 -11.022 -7.909 1.00 51.30 C ATOM 149 CE2 TYR A 8 29.250 -12.168 -7.896 1.00 54.12 C ATOM 150 CZ TYR A 8 28.490 -11.066 -8.230 1.00 34.31 C ATOM 151 OH TYR A 8 29.072 -10.007 -8.887 1.00 61.03 O ATOM 0 H TYR A 8 23.964 -14.339 -7.154 1.00 3.11 H new ATOM 0 HA TYR A 8 26.481 -15.686 -7.871 1.00 22.33 H new ATOM 0 HB2 TYR A 8 26.037 -13.990 -5.382 1.00 72.12 H new ATOM 0 HB3 TYR A 8 27.453 -14.970 -5.707 1.00 72.12 H new ATOM 0 HD1 TYR A 8 25.519 -12.049 -6.998 1.00 12.30 H new ATOM 0 HD2 TYR A 8 29.259 -14.092 -6.980 1.00 12.14 H new ATOM 0 HE1 TYR A 8 26.556 -10.159 -8.172 1.00 51.30 H new ATOM 0 HE2 TYR A 8 30.300 -12.200 -8.148 1.00 54.12 H new ATOM 0 HH TYR A 8 30.022 -10.197 -9.037 1.00 61.03 H new ATOM 161 N GLU A 9 26.127 -17.319 -5.818 1.00 71.03 N ATOM 162 CA GLU A 9 25.698 -18.470 -5.033 1.00 73.20 C ATOM 163 C GLU A 9 25.739 -18.156 -3.540 1.00 72.42 C ATOM 164 O GLU A 9 26.809 -18.106 -2.934 1.00 44.33 O ATOM 165 CB GLU A 9 26.584 -19.681 -5.335 1.00 55.34 C ATOM 166 CG GLU A 9 26.160 -20.943 -4.603 1.00 40.11 C ATOM 167 CD GLU A 9 25.210 -21.799 -5.418 1.00 64.40 C ATOM 168 OE1 GLU A 9 25.432 -21.934 -6.640 1.00 14.25 O ATOM 169 OE2 GLU A 9 24.246 -22.336 -4.833 1.00 51.42 O ATOM 0 H GLU A 9 27.134 -17.263 -5.970 1.00 71.03 H new ATOM 0 HA GLU A 9 24.670 -18.703 -5.310 1.00 73.20 H new ATOM 0 HB2 GLU A 9 26.571 -19.872 -6.408 1.00 55.34 H new ATOM 0 HB3 GLU A 9 27.613 -19.444 -5.066 1.00 55.34 H new ATOM 0 HG2 GLU A 9 27.045 -21.527 -4.352 1.00 40.11 H new ATOM 0 HG3 GLU A 9 25.681 -20.670 -3.663 1.00 40.11 H new ATOM 176 N PHE A 10 24.565 -17.946 -2.953 1.00 42.35 N ATOM 177 CA PHE A 10 24.466 -17.635 -1.532 1.00 51.01 C ATOM 178 C PHE A 10 24.406 -18.912 -0.699 1.00 63.11 C ATOM 179 O PHE A 10 23.377 -19.585 -0.646 1.00 72.31 O ATOM 180 CB PHE A 10 23.228 -16.778 -1.261 1.00 50.41 C ATOM 181 CG PHE A 10 23.236 -16.124 0.091 1.00 34.55 C ATOM 182 CD1 PHE A 10 24.199 -15.183 0.415 1.00 13.52 C ATOM 183 CD2 PHE A 10 22.280 -16.453 1.039 1.00 32.04 C ATOM 184 CE1 PHE A 10 24.208 -14.579 1.659 1.00 63.31 C ATOM 185 CE2 PHE A 10 22.284 -15.853 2.284 1.00 2.13 C ATOM 186 CZ PHE A 10 23.250 -14.916 2.595 1.00 42.11 C ATOM 0 H PHE A 10 23.669 -17.986 -3.440 1.00 42.35 H new ATOM 0 HA PHE A 10 25.357 -17.076 -1.245 1.00 51.01 H new ATOM 0 HB2 PHE A 10 23.154 -16.007 -2.028 1.00 50.41 H new ATOM 0 HB3 PHE A 10 22.338 -17.401 -1.349 1.00 50.41 H new ATOM 0 HD1 PHE A 10 24.952 -14.918 -0.312 1.00 13.52 H new ATOM 0 HD2 PHE A 10 21.523 -17.186 0.802 1.00 32.04 H new ATOM 0 HE1 PHE A 10 24.963 -13.845 1.898 1.00 63.31 H new ATOM 0 HE2 PHE A 10 21.532 -16.117 3.013 1.00 2.13 H new ATOM 0 HZ PHE A 10 23.256 -14.448 3.568 1.00 42.11 H new ATOM 196 N LYS A 11 25.518 -19.240 -0.050 1.00 22.12 N ATOM 197 CA LYS A 11 25.595 -20.435 0.782 1.00 72.42 C ATOM 198 C LYS A 11 24.981 -20.183 2.155 1.00 12.11 C ATOM 199 O LYS A 11 25.610 -19.582 3.025 1.00 13.43 O ATOM 200 CB LYS A 11 27.050 -20.882 0.936 1.00 4.33 C ATOM 201 CG LYS A 11 27.635 -21.497 -0.323 1.00 72.32 C ATOM 202 CD LYS A 11 29.131 -21.250 -0.422 1.00 72.14 C ATOM 203 CE LYS A 11 29.786 -22.189 -1.423 1.00 72.44 C ATOM 204 NZ LYS A 11 29.743 -21.642 -2.808 1.00 31.13 N ATOM 0 H LYS A 11 26.379 -18.694 -0.084 1.00 22.12 H new ATOM 0 HA LYS A 11 25.029 -21.226 0.290 1.00 72.42 H new ATOM 0 HB2 LYS A 11 27.656 -20.024 1.226 1.00 4.33 H new ATOM 0 HB3 LYS A 11 27.114 -21.607 1.748 1.00 4.33 H new ATOM 0 HG2 LYS A 11 27.441 -22.570 -0.329 1.00 72.32 H new ATOM 0 HG3 LYS A 11 27.138 -21.079 -1.198 1.00 72.32 H new ATOM 0 HD2 LYS A 11 29.311 -20.217 -0.719 1.00 72.14 H new ATOM 0 HD3 LYS A 11 29.589 -21.385 0.558 1.00 72.14 H new ATOM 0 HE2 LYS A 11 30.822 -22.363 -1.133 1.00 72.44 H new ATOM 0 HE3 LYS A 11 29.282 -23.155 -1.398 1.00 72.44 H new ATOM 0 HZ1 LYS A 11 30.091 -22.360 -3.476 1.00 31.13 H new ATOM 0 HZ2 LYS A 11 28.764 -21.389 -3.051 1.00 31.13 H new ATOM 0 HZ3 LYS A 11 30.344 -20.795 -2.866 1.00 31.13 H new ATOM 218 N ALA A 12 23.750 -20.648 2.342 1.00 11.54 N ATOM 219 CA ALA A 12 23.053 -20.475 3.611 1.00 40.00 C ATOM 220 C ALA A 12 23.907 -20.962 4.777 1.00 74.11 C ATOM 221 O ALA A 12 24.605 -21.969 4.668 1.00 62.13 O ATOM 222 CB ALA A 12 21.721 -21.210 3.586 1.00 63.41 C ATOM 0 H ALA A 12 23.215 -21.147 1.631 1.00 11.54 H new ATOM 0 HA ALA A 12 22.865 -19.411 3.752 1.00 40.00 H new ATOM 0 HB1 ALA A 12 21.211 -21.072 4.540 1.00 63.41 H new ATOM 0 HB2 ALA A 12 21.101 -20.812 2.783 1.00 63.41 H new ATOM 0 HB3 ALA A 12 21.895 -22.273 3.418 1.00 63.41 H new ATOM 228 N GLU A 13 23.845 -20.240 5.892 1.00 63.25 N ATOM 229 CA GLU A 13 24.615 -20.599 7.077 1.00 71.51 C ATOM 230 C GLU A 13 23.695 -21.065 8.202 1.00 2.22 C ATOM 231 O GLU A 13 24.088 -21.871 9.045 1.00 34.53 O ATOM 232 CB GLU A 13 25.453 -19.409 7.548 1.00 64.42 C ATOM 233 CG GLU A 13 24.657 -18.123 7.693 1.00 23.43 C ATOM 234 CD GLU A 13 25.513 -16.955 8.142 1.00 22.14 C ATOM 235 OE1 GLU A 13 26.618 -16.780 7.587 1.00 31.23 O ATOM 236 OE2 GLU A 13 25.077 -16.215 9.049 1.00 23.34 O ATOM 0 H GLU A 13 23.270 -19.404 5.999 1.00 63.25 H new ATOM 0 HA GLU A 13 25.281 -21.420 6.812 1.00 71.51 H new ATOM 0 HB2 GLU A 13 25.909 -19.654 8.507 1.00 64.42 H new ATOM 0 HB3 GLU A 13 26.266 -19.245 6.841 1.00 64.42 H new ATOM 0 HG2 GLU A 13 24.189 -17.880 6.739 1.00 23.43 H new ATOM 0 HG3 GLU A 13 23.853 -18.277 8.412 1.00 23.43 H new ATOM 243 N ARG A 14 22.470 -20.550 8.208 1.00 1.33 N ATOM 244 CA ARG A 14 21.495 -20.910 9.230 1.00 32.32 C ATOM 245 C ARG A 14 20.190 -21.381 8.594 1.00 21.54 C ATOM 246 O ARG A 14 20.075 -21.455 7.371 1.00 63.11 O ATOM 247 CB ARG A 14 21.225 -19.719 10.151 1.00 53.32 C ATOM 248 CG ARG A 14 22.431 -19.300 10.975 1.00 63.10 C ATOM 249 CD ARG A 14 22.695 -20.276 12.111 1.00 3.53 C ATOM 250 NE ARG A 14 23.989 -20.039 12.746 1.00 0.13 N ATOM 251 CZ ARG A 14 24.462 -20.774 13.747 1.00 41.24 C ATOM 252 NH1 ARG A 14 23.752 -21.787 14.223 1.00 53.01 N ATOM 253 NH2 ARG A 14 25.648 -20.496 14.272 1.00 24.22 N ATOM 0 H ARG A 14 22.129 -19.882 7.517 1.00 1.33 H new ATOM 0 HA ARG A 14 21.909 -21.729 9.819 1.00 32.32 H new ATOM 0 HB2 ARG A 14 20.895 -18.872 9.549 1.00 53.32 H new ATOM 0 HB3 ARG A 14 20.405 -19.970 10.824 1.00 53.32 H new ATOM 0 HG2 ARG A 14 23.310 -19.241 10.333 1.00 63.10 H new ATOM 0 HG3 ARG A 14 22.266 -18.302 11.382 1.00 63.10 H new ATOM 0 HD2 ARG A 14 21.904 -20.188 12.856 1.00 3.53 H new ATOM 0 HD3 ARG A 14 22.660 -21.296 11.728 1.00 3.53 H new ATOM 0 HE ARG A 14 24.561 -19.267 12.402 1.00 0.13 H new ATOM 0 HH11 ARG A 14 22.840 -22.004 13.821 1.00 53.01 H new ATOM 0 HH12 ARG A 14 24.118 -22.349 14.991 1.00 53.01 H new ATOM 0 HH21 ARG A 14 26.197 -19.718 13.907 1.00 24.22 H new ATOM 0 HH22 ARG A 14 26.011 -21.060 15.040 1.00 24.22 H new ATOM 267 N ASP A 15 19.210 -21.700 9.433 1.00 5.43 N ATOM 268 CA ASP A 15 17.914 -22.163 8.954 1.00 74.21 C ATOM 269 C ASP A 15 17.177 -21.049 8.216 1.00 21.51 C ATOM 270 O ASP A 15 16.496 -21.296 7.220 1.00 3.53 O ATOM 271 CB ASP A 15 17.064 -22.667 10.122 1.00 43.40 C ATOM 272 CG ASP A 15 17.867 -23.492 11.108 1.00 61.31 C ATOM 273 OD1 ASP A 15 18.223 -24.641 10.769 1.00 12.24 O ATOM 274 OD2 ASP A 15 18.141 -22.990 12.218 1.00 55.33 O ATOM 0 H ASP A 15 19.289 -21.646 10.448 1.00 5.43 H new ATOM 0 HA ASP A 15 18.085 -22.984 8.258 1.00 74.21 H new ATOM 0 HB2 ASP A 15 16.622 -21.816 10.640 1.00 43.40 H new ATOM 0 HB3 ASP A 15 16.241 -23.268 9.736 1.00 43.40 H new ATOM 279 N ASP A 16 17.317 -19.825 8.712 1.00 64.10 N ATOM 280 CA ASP A 16 16.665 -18.673 8.100 1.00 25.01 C ATOM 281 C ASP A 16 17.266 -18.373 6.730 1.00 32.11 C ATOM 282 O ASP A 16 16.582 -17.868 5.840 1.00 5.33 O ATOM 283 CB ASP A 16 16.793 -17.447 9.006 1.00 70.30 C ATOM 284 CG ASP A 16 18.214 -17.229 9.488 1.00 34.24 C ATOM 285 OD1 ASP A 16 18.599 -17.853 10.499 1.00 13.33 O ATOM 286 OD2 ASP A 16 18.940 -16.434 8.856 1.00 60.34 O ATOM 0 H ASP A 16 17.876 -19.605 9.536 1.00 64.10 H new ATOM 0 HA ASP A 16 15.609 -18.911 7.970 1.00 25.01 H new ATOM 0 HB2 ASP A 16 16.456 -16.563 8.465 1.00 70.30 H new ATOM 0 HB3 ASP A 16 16.135 -17.564 9.867 1.00 70.30 H new ATOM 291 N GLU A 17 18.547 -18.687 6.569 1.00 25.35 N ATOM 292 CA GLU A 17 19.239 -18.449 5.308 1.00 24.12 C ATOM 293 C GLU A 17 18.951 -19.567 4.310 1.00 1.20 C ATOM 294 O GLU A 17 18.989 -20.748 4.656 1.00 71.54 O ATOM 295 CB GLU A 17 20.747 -18.335 5.542 1.00 63.43 C ATOM 296 CG GLU A 17 21.120 -17.366 6.651 1.00 41.25 C ATOM 297 CD GLU A 17 20.740 -15.934 6.326 1.00 65.14 C ATOM 298 OE1 GLU A 17 19.536 -15.669 6.128 1.00 23.15 O ATOM 299 OE2 GLU A 17 21.649 -15.079 6.269 1.00 54.51 O ATOM 0 H GLU A 17 19.127 -19.107 7.296 1.00 25.35 H new ATOM 0 HA GLU A 17 18.871 -17.511 4.892 1.00 24.12 H new ATOM 0 HB2 GLU A 17 21.144 -19.321 5.784 1.00 63.43 H new ATOM 0 HB3 GLU A 17 21.227 -18.017 4.616 1.00 63.43 H new ATOM 0 HG2 GLU A 17 20.626 -17.669 7.574 1.00 41.25 H new ATOM 0 HG3 GLU A 17 22.194 -17.421 6.831 1.00 41.25 H new ATOM 306 N LEU A 18 18.662 -19.185 3.071 1.00 65.12 N ATOM 307 CA LEU A 18 18.367 -20.154 2.021 1.00 12.00 C ATOM 308 C LEU A 18 19.513 -20.236 1.018 1.00 73.33 C ATOM 309 O LEU A 18 20.223 -19.257 0.789 1.00 14.22 O ATOM 310 CB LEU A 18 17.070 -19.777 1.302 1.00 4.21 C ATOM 311 CG LEU A 18 16.479 -20.844 0.381 1.00 34.41 C ATOM 312 CD1 LEU A 18 15.538 -21.755 1.155 1.00 61.11 C ATOM 313 CD2 LEU A 18 15.754 -20.197 -0.789 1.00 55.55 C ATOM 0 H LEU A 18 18.626 -18.211 2.769 1.00 65.12 H new ATOM 0 HA LEU A 18 18.246 -21.132 2.487 1.00 12.00 H new ATOM 0 HB2 LEU A 18 16.323 -19.520 2.053 1.00 4.21 H new ATOM 0 HB3 LEU A 18 17.253 -18.878 0.713 1.00 4.21 H new ATOM 0 HG LEU A 18 17.296 -21.449 -0.013 1.00 34.41 H new ATOM 0 HD11 LEU A 18 15.127 -22.508 0.483 1.00 61.11 H new ATOM 0 HD12 LEU A 18 16.086 -22.246 1.959 1.00 61.11 H new ATOM 0 HD13 LEU A 18 14.726 -21.164 1.578 1.00 61.11 H new ATOM 0 HD21 LEU A 18 15.340 -20.972 -1.434 1.00 55.55 H new ATOM 0 HD22 LEU A 18 14.947 -19.568 -0.414 1.00 55.55 H new ATOM 0 HD23 LEU A 18 16.455 -19.587 -1.359 1.00 55.55 H new ATOM 325 N ASP A 19 19.686 -21.410 0.420 1.00 33.23 N ATOM 326 CA ASP A 19 20.743 -21.620 -0.562 1.00 2.13 C ATOM 327 C ASP A 19 20.237 -21.340 -1.973 1.00 62.34 C ATOM 328 O ASP A 19 19.261 -21.940 -2.425 1.00 24.14 O ATOM 329 CB ASP A 19 21.276 -23.051 -0.472 1.00 12.25 C ATOM 330 CG ASP A 19 22.546 -23.247 -1.275 1.00 62.41 C ATOM 331 OD1 ASP A 19 23.159 -22.235 -1.672 1.00 42.33 O ATOM 332 OD2 ASP A 19 22.927 -24.414 -1.508 1.00 21.05 O ATOM 0 H ASP A 19 19.107 -22.231 0.598 1.00 33.23 H new ATOM 0 HA ASP A 19 21.553 -20.925 -0.341 1.00 2.13 H new ATOM 0 HB2 ASP A 19 21.468 -23.299 0.572 1.00 12.25 H new ATOM 0 HB3 ASP A 19 20.513 -23.743 -0.829 1.00 12.25 H new ATOM 337 N VAL A 20 20.907 -20.424 -2.666 1.00 73.41 N ATOM 338 CA VAL A 20 20.525 -20.065 -4.027 1.00 2.24 C ATOM 339 C VAL A 20 21.740 -20.031 -4.947 1.00 51.12 C ATOM 340 O VAL A 20 22.871 -19.858 -4.493 1.00 60.43 O ATOM 341 CB VAL A 20 19.824 -18.694 -4.069 1.00 61.12 C ATOM 342 CG1 VAL A 20 20.819 -17.576 -3.798 1.00 24.43 C ATOM 343 CG2 VAL A 20 19.134 -18.491 -5.410 1.00 11.45 C ATOM 0 H VAL A 20 21.716 -19.917 -2.307 1.00 73.41 H new ATOM 0 HA VAL A 20 19.831 -20.830 -4.374 1.00 2.24 H new ATOM 0 HB VAL A 20 19.065 -18.669 -3.287 1.00 61.12 H new ATOM 0 HG11 VAL A 20 20.305 -16.615 -3.832 1.00 24.43 H new ATOM 0 HG12 VAL A 20 21.263 -17.715 -2.812 1.00 24.43 H new ATOM 0 HG13 VAL A 20 21.603 -17.595 -4.555 1.00 24.43 H new ATOM 0 HG21 VAL A 20 18.644 -17.518 -5.423 1.00 11.45 H new ATOM 0 HG22 VAL A 20 19.873 -18.536 -6.210 1.00 11.45 H new ATOM 0 HG23 VAL A 20 18.390 -19.274 -5.559 1.00 11.45 H new ATOM 353 N SER A 21 21.498 -20.196 -6.244 1.00 32.43 N ATOM 354 CA SER A 21 22.573 -20.188 -7.229 1.00 74.11 C ATOM 355 C SER A 21 22.436 -18.996 -8.171 1.00 45.13 C ATOM 356 O SER A 21 21.361 -18.418 -8.331 1.00 62.04 O ATOM 357 CB SER A 21 22.567 -21.490 -8.032 1.00 70.31 C ATOM 358 OG SER A 21 21.310 -22.138 -7.945 1.00 34.05 O ATOM 0 H SER A 21 20.567 -20.337 -6.637 1.00 32.43 H new ATOM 0 HA SER A 21 23.520 -20.102 -6.697 1.00 74.11 H new ATOM 0 HB2 SER A 21 22.799 -21.278 -9.076 1.00 70.31 H new ATOM 0 HB3 SER A 21 23.348 -22.153 -7.661 1.00 70.31 H new ATOM 0 HG SER A 21 21.332 -22.966 -8.468 1.00 34.05 H new ATOM 364 N PRO A 22 23.553 -18.618 -8.811 1.00 3.32 N ATOM 365 CA PRO A 22 23.586 -17.492 -9.749 1.00 14.43 C ATOM 366 C PRO A 22 22.830 -17.790 -11.039 1.00 64.14 C ATOM 367 O PRO A 22 23.180 -18.712 -11.775 1.00 52.14 O ATOM 368 CB PRO A 22 25.079 -17.309 -10.033 1.00 33.42 C ATOM 369 CG PRO A 22 25.679 -18.649 -9.778 1.00 50.22 C ATOM 370 CD PRO A 22 24.870 -19.261 -8.668 1.00 2.20 C ATOM 0 HA PRO A 22 23.106 -16.605 -9.337 1.00 14.43 H new ATOM 0 HB2 PRO A 22 25.250 -16.987 -11.060 1.00 33.42 H new ATOM 0 HB3 PRO A 22 25.515 -16.550 -9.384 1.00 33.42 H new ATOM 0 HG2 PRO A 22 25.644 -19.269 -10.674 1.00 50.22 H new ATOM 0 HG3 PRO A 22 26.727 -18.559 -9.493 1.00 50.22 H new ATOM 0 HD2 PRO A 22 24.802 -20.344 -8.771 1.00 2.20 H new ATOM 0 HD3 PRO A 22 25.311 -19.061 -7.692 1.00 2.20 H new ATOM 378 N GLY A 23 21.793 -17.003 -11.308 1.00 73.42 N ATOM 379 CA GLY A 23 21.005 -17.200 -12.511 1.00 12.11 C ATOM 380 C GLY A 23 19.653 -17.821 -12.223 1.00 74.51 C ATOM 381 O GLY A 23 18.853 -18.033 -13.135 1.00 4.35 O ATOM 0 H GLY A 23 21.484 -16.233 -10.715 1.00 73.42 H new ATOM 0 HA2 GLY A 23 20.862 -16.241 -13.009 1.00 12.11 H new ATOM 0 HA3 GLY A 23 21.555 -17.839 -13.202 1.00 12.11 H new ATOM 385 N GLU A 24 19.397 -18.117 -10.952 1.00 51.53 N ATOM 386 CA GLU A 24 18.133 -18.720 -10.548 1.00 75.24 C ATOM 387 C GLU A 24 17.058 -17.654 -10.354 1.00 60.24 C ATOM 388 O GLU A 24 17.362 -16.470 -10.215 1.00 74.22 O ATOM 389 CB GLU A 24 18.313 -19.519 -9.256 1.00 22.11 C ATOM 390 CG GLU A 24 18.878 -20.912 -9.476 1.00 20.45 C ATOM 391 CD GLU A 24 18.006 -21.759 -10.382 1.00 62.14 C ATOM 392 OE1 GLU A 24 17.031 -22.356 -9.879 1.00 4.10 O ATOM 393 OE2 GLU A 24 18.298 -21.825 -11.595 1.00 24.35 O ATOM 0 H GLU A 24 20.048 -17.949 -10.185 1.00 51.53 H new ATOM 0 HA GLU A 24 17.812 -19.394 -11.342 1.00 75.24 H new ATOM 0 HB2 GLU A 24 18.975 -18.969 -8.588 1.00 22.11 H new ATOM 0 HB3 GLU A 24 17.350 -19.602 -8.753 1.00 22.11 H new ATOM 0 HG2 GLU A 24 19.875 -20.831 -9.909 1.00 20.45 H new ATOM 0 HG3 GLU A 24 18.988 -21.411 -8.513 1.00 20.45 H new ATOM 400 N ASN A 25 15.801 -18.084 -10.347 1.00 75.42 N ATOM 401 CA ASN A 25 14.680 -17.167 -10.172 1.00 21.54 C ATOM 402 C ASN A 25 14.162 -17.210 -8.737 1.00 44.50 C ATOM 403 O ASN A 25 13.944 -18.284 -8.175 1.00 54.24 O ATOM 404 CB ASN A 25 13.551 -17.517 -11.143 1.00 41.24 C ATOM 405 CG ASN A 25 14.002 -17.478 -12.591 1.00 33.21 C ATOM 406 OD1 ASN A 25 14.850 -18.266 -13.010 1.00 31.02 O ATOM 407 ND2 ASN A 25 13.434 -16.558 -13.363 1.00 25.33 N ATOM 0 H ASN A 25 15.533 -19.061 -10.460 1.00 75.42 H new ATOM 0 HA ASN A 25 15.032 -16.157 -10.383 1.00 21.54 H new ATOM 0 HB2 ASN A 25 13.170 -18.512 -10.910 1.00 41.24 H new ATOM 0 HB3 ASN A 25 12.726 -16.819 -11.003 1.00 41.24 H new ATOM 0 HD21 ASN A 25 13.697 -16.484 -14.346 1.00 25.33 H new ATOM 0 HD22 ASN A 25 12.735 -15.926 -12.973 1.00 25.33 H new ATOM 414 N LEU A 26 13.968 -16.034 -8.150 1.00 30.04 N ATOM 415 CA LEU A 26 13.475 -15.935 -6.780 1.00 60.41 C ATOM 416 C LEU A 26 12.290 -14.979 -6.696 1.00 32.05 C ATOM 417 O LEU A 26 12.174 -14.046 -7.490 1.00 5.10 O ATOM 418 CB LEU A 26 14.592 -15.464 -5.848 1.00 25.54 C ATOM 419 CG LEU A 26 15.819 -16.373 -5.758 1.00 44.43 C ATOM 420 CD1 LEU A 26 17.040 -15.580 -5.316 1.00 55.54 C ATOM 421 CD2 LEU A 26 15.559 -17.529 -4.804 1.00 74.12 C ATOM 0 H LEU A 26 14.144 -15.136 -8.601 1.00 30.04 H new ATOM 0 HA LEU A 26 13.143 -16.925 -6.467 1.00 60.41 H new ATOM 0 HB2 LEU A 26 14.919 -14.477 -6.175 1.00 25.54 H new ATOM 0 HB3 LEU A 26 14.177 -15.347 -4.847 1.00 25.54 H new ATOM 0 HG LEU A 26 16.016 -16.783 -6.749 1.00 44.43 H new ATOM 0 HD11 LEU A 26 17.903 -16.243 -5.258 1.00 55.54 H new ATOM 0 HD12 LEU A 26 17.240 -14.787 -6.037 1.00 55.54 H new ATOM 0 HD13 LEU A 26 16.853 -15.141 -4.336 1.00 55.54 H new ATOM 0 HD21 LEU A 26 16.443 -18.165 -4.753 1.00 74.12 H new ATOM 0 HD22 LEU A 26 15.335 -17.138 -3.811 1.00 74.12 H new ATOM 0 HD23 LEU A 26 14.712 -18.114 -5.163 1.00 74.12 H new ATOM 433 N SER A 27 11.412 -15.217 -5.726 1.00 2.41 N ATOM 434 CA SER A 27 10.235 -14.377 -5.538 1.00 74.32 C ATOM 435 C SER A 27 10.360 -13.541 -4.268 1.00 62.50 C ATOM 436 O SER A 27 10.353 -14.075 -3.158 1.00 43.31 O ATOM 437 CB SER A 27 8.973 -15.240 -5.472 1.00 52.10 C ATOM 438 OG SER A 27 7.853 -14.546 -5.993 1.00 53.14 O ATOM 0 H SER A 27 11.494 -15.984 -5.059 1.00 2.41 H new ATOM 0 HA SER A 27 10.161 -13.701 -6.390 1.00 74.32 H new ATOM 0 HB2 SER A 27 9.128 -16.161 -6.035 1.00 52.10 H new ATOM 0 HB3 SER A 27 8.778 -15.527 -4.439 1.00 52.10 H new ATOM 0 HG SER A 27 7.997 -14.361 -6.945 1.00 53.14 H new ATOM 444 N ILE A 28 10.475 -12.229 -4.440 1.00 52.01 N ATOM 445 CA ILE A 28 10.601 -11.319 -3.309 1.00 12.24 C ATOM 446 C ILE A 28 9.240 -11.025 -2.685 1.00 45.35 C ATOM 447 O ILE A 28 8.232 -10.933 -3.386 1.00 71.35 O ATOM 448 CB ILE A 28 11.260 -9.991 -3.725 1.00 41.31 C ATOM 449 CG1 ILE A 28 12.667 -10.244 -4.270 1.00 43.41 C ATOM 450 CG2 ILE A 28 11.308 -9.030 -2.546 1.00 75.41 C ATOM 451 CD1 ILE A 28 13.399 -8.979 -4.663 1.00 24.43 C ATOM 0 H ILE A 28 10.484 -11.772 -5.352 1.00 52.01 H new ATOM 0 HA ILE A 28 11.235 -11.815 -2.574 1.00 12.24 H new ATOM 0 HB ILE A 28 10.661 -9.537 -4.514 1.00 41.31 H new ATOM 0 HG12 ILE A 28 13.250 -10.773 -3.516 1.00 43.41 H new ATOM 0 HG13 ILE A 28 12.599 -10.900 -5.138 1.00 43.41 H new ATOM 0 HG21 ILE A 28 11.777 -8.096 -2.857 1.00 75.41 H new ATOM 0 HG22 ILE A 28 10.294 -8.829 -2.199 1.00 75.41 H new ATOM 0 HG23 ILE A 28 11.887 -9.475 -1.737 1.00 75.41 H new ATOM 0 HD11 ILE A 28 14.389 -9.234 -5.041 1.00 24.43 H new ATOM 0 HD12 ILE A 28 12.837 -8.460 -5.440 1.00 24.43 H new ATOM 0 HD13 ILE A 28 13.498 -8.331 -3.792 1.00 24.43 H new ATOM 463 N CYS A 29 9.220 -10.876 -1.366 1.00 4.23 N ATOM 464 CA CYS A 29 7.983 -10.591 -0.647 1.00 45.52 C ATOM 465 C CYS A 29 8.057 -9.233 0.044 1.00 10.10 C ATOM 466 O CYS A 29 7.083 -8.481 0.063 1.00 34.51 O ATOM 467 CB CYS A 29 7.703 -11.686 0.382 1.00 20.14 C ATOM 468 SG CYS A 29 7.858 -13.366 -0.267 1.00 30.41 S ATOM 0 H CYS A 29 10.046 -10.948 -0.772 1.00 4.23 H new ATOM 0 HA CYS A 29 7.168 -10.566 -1.371 1.00 45.52 H new ATOM 0 HB2 CYS A 29 8.390 -11.567 1.220 1.00 20.14 H new ATOM 0 HB3 CYS A 29 6.695 -11.551 0.775 1.00 20.14 H new ATOM 0 HG CYS A 29 7.605 -14.222 0.678 1.00 30.41 H new ATOM 474 N ALA A 30 9.219 -8.926 0.612 1.00 34.11 N ATOM 475 CA ALA A 30 9.419 -7.659 1.304 1.00 24.23 C ATOM 476 C ALA A 30 10.904 -7.370 1.500 1.00 52.32 C ATOM 477 O ALA A 30 11.755 -8.207 1.198 1.00 31.13 O ATOM 478 CB ALA A 30 8.701 -7.671 2.645 1.00 11.24 C ATOM 0 H ALA A 30 10.036 -9.537 0.606 1.00 34.11 H new ATOM 0 HA ALA A 30 8.999 -6.865 0.686 1.00 24.23 H new ATOM 0 HB1 ALA A 30 8.859 -6.719 3.151 1.00 11.24 H new ATOM 0 HB2 ALA A 30 7.634 -7.824 2.485 1.00 11.24 H new ATOM 0 HB3 ALA A 30 9.095 -8.479 3.261 1.00 11.24 H new ATOM 484 N HIS A 31 11.208 -6.179 2.006 1.00 42.33 N ATOM 485 CA HIS A 31 12.591 -5.779 2.241 1.00 10.13 C ATOM 486 C HIS A 31 12.823 -5.471 3.717 1.00 5.43 C ATOM 487 O HIS A 31 11.900 -5.537 4.528 1.00 15.45 O ATOM 488 CB HIS A 31 12.943 -4.557 1.392 1.00 73.44 C ATOM 489 CG HIS A 31 12.342 -3.282 1.898 1.00 32.41 C ATOM 490 ND1 HIS A 31 13.098 -2.203 2.302 1.00 0.45 N ATOM 491 CD2 HIS A 31 11.049 -2.917 2.063 1.00 71.21 C ATOM 492 CE1 HIS A 31 12.296 -1.229 2.696 1.00 64.11 C ATOM 493 NE2 HIS A 31 11.048 -1.637 2.560 1.00 35.10 N ATOM 0 H HIS A 31 10.516 -5.475 2.261 1.00 42.33 H new ATOM 0 HA HIS A 31 13.237 -6.609 1.954 1.00 10.13 H new ATOM 0 HB2 HIS A 31 14.027 -4.449 1.357 1.00 73.44 H new ATOM 0 HB3 HIS A 31 12.607 -4.727 0.369 1.00 73.44 H new ATOM 0 HD2 HIS A 31 10.180 -3.520 1.844 1.00 71.21 H new ATOM 0 HE1 HIS A 31 12.609 -0.264 3.066 1.00 64.11 H new ATOM 0 HE2 HIS A 31 10.218 -1.090 2.787 1.00 35.10 H new ATOM 501 N TYR A 32 14.063 -5.135 4.058 1.00 14.14 N ATOM 502 CA TYR A 32 14.417 -4.820 5.437 1.00 10.22 C ATOM 503 C TYR A 32 15.533 -3.781 5.489 1.00 65.30 C ATOM 504 O TYR A 32 16.706 -4.104 5.298 1.00 21.12 O ATOM 505 CB TYR A 32 14.849 -6.087 6.177 1.00 1.22 C ATOM 506 CG TYR A 32 15.184 -5.853 7.633 1.00 33.41 C ATOM 507 CD1 TYR A 32 16.450 -5.429 8.016 1.00 64.24 C ATOM 508 CD2 TYR A 32 14.234 -6.058 8.626 1.00 12.12 C ATOM 509 CE1 TYR A 32 16.761 -5.215 9.345 1.00 60.34 C ATOM 510 CE2 TYR A 32 14.535 -5.845 9.957 1.00 21.14 C ATOM 511 CZ TYR A 32 15.800 -5.424 10.312 1.00 71.14 C ATOM 512 OH TYR A 32 16.104 -5.212 11.637 1.00 64.42 O ATOM 0 H TYR A 32 14.839 -5.074 3.399 1.00 14.14 H new ATOM 0 HA TYR A 32 13.536 -4.405 5.926 1.00 10.22 H new ATOM 0 HB2 TYR A 32 14.051 -6.826 6.111 1.00 1.22 H new ATOM 0 HB3 TYR A 32 15.719 -6.511 5.676 1.00 1.22 H new ATOM 0 HD1 TYR A 32 17.205 -5.264 7.261 1.00 64.24 H new ATOM 0 HD2 TYR A 32 13.243 -6.390 8.352 1.00 12.12 H new ATOM 0 HE1 TYR A 32 17.751 -4.886 9.625 1.00 60.34 H new ATOM 0 HE2 TYR A 32 13.784 -6.007 10.716 1.00 21.14 H new ATOM 0 HH TYR A 32 15.276 -5.168 12.160 1.00 64.42 H new ATOM 522 N ASP A 33 15.160 -2.533 5.749 1.00 32.30 N ATOM 523 CA ASP A 33 16.128 -1.446 5.828 1.00 24.02 C ATOM 524 C ASP A 33 16.875 -1.287 4.508 1.00 45.53 C ATOM 525 O ASP A 33 17.940 -0.670 4.456 1.00 53.45 O ATOM 526 CB ASP A 33 17.122 -1.701 6.963 1.00 52.01 C ATOM 527 CG ASP A 33 16.684 -1.067 8.269 1.00 44.24 C ATOM 528 OD1 ASP A 33 15.715 -1.568 8.875 1.00 11.54 O ATOM 529 OD2 ASP A 33 17.311 -0.069 8.683 1.00 22.13 O ATOM 0 H ASP A 33 14.193 -2.249 5.909 1.00 32.30 H new ATOM 0 HA ASP A 33 15.585 -0.523 6.031 1.00 24.02 H new ATOM 0 HB2 ASP A 33 17.239 -2.775 7.105 1.00 52.01 H new ATOM 0 HB3 ASP A 33 18.099 -1.308 6.682 1.00 52.01 H new ATOM 534 N TYR A 34 16.312 -1.847 3.444 1.00 73.13 N ATOM 535 CA TYR A 34 16.926 -1.770 2.124 1.00 60.34 C ATOM 536 C TYR A 34 18.294 -2.446 2.119 1.00 10.31 C ATOM 537 O TYR A 34 19.126 -2.179 1.253 1.00 25.21 O ATOM 538 CB TYR A 34 17.064 -0.311 1.686 1.00 30.03 C ATOM 539 CG TYR A 34 15.777 0.476 1.787 1.00 34.41 C ATOM 540 CD1 TYR A 34 15.387 1.057 2.988 1.00 62.04 C ATOM 541 CD2 TYR A 34 14.949 0.637 0.683 1.00 63.33 C ATOM 542 CE1 TYR A 34 14.212 1.776 3.085 1.00 75.02 C ATOM 543 CE2 TYR A 34 13.773 1.355 0.770 1.00 12.22 C ATOM 544 CZ TYR A 34 13.408 1.923 1.973 1.00 21.33 C ATOM 545 OH TYR A 34 12.236 2.638 2.065 1.00 21.00 O ATOM 0 H TYR A 34 15.431 -2.360 3.470 1.00 73.13 H new ATOM 0 HA TYR A 34 16.279 -2.294 1.420 1.00 60.34 H new ATOM 0 HB2 TYR A 34 17.825 0.173 2.298 1.00 30.03 H new ATOM 0 HB3 TYR A 34 17.418 -0.282 0.656 1.00 30.03 H new ATOM 0 HD1 TYR A 34 16.014 0.944 3.860 1.00 62.04 H new ATOM 0 HD2 TYR A 34 15.230 0.192 -0.260 1.00 63.33 H new ATOM 0 HE1 TYR A 34 13.924 2.221 4.026 1.00 75.02 H new ATOM 0 HE2 TYR A 34 13.142 1.471 -0.099 1.00 12.22 H new ATOM 0 HH TYR A 34 11.789 2.647 1.193 1.00 21.00 H new ATOM 555 N GLU A 35 18.517 -3.322 3.093 1.00 22.15 N ATOM 556 CA GLU A 35 19.784 -4.036 3.202 1.00 31.24 C ATOM 557 C GLU A 35 19.573 -5.542 3.069 1.00 41.44 C ATOM 558 O GLU A 35 20.532 -6.306 2.962 1.00 41.04 O ATOM 559 CB GLU A 35 20.459 -3.721 4.539 1.00 30.40 C ATOM 560 CG GLU A 35 19.479 -3.398 5.654 1.00 2.34 C ATOM 561 CD GLU A 35 20.173 -3.010 6.946 1.00 32.50 C ATOM 562 OE1 GLU A 35 20.828 -1.948 6.971 1.00 2.42 O ATOM 563 OE2 GLU A 35 20.061 -3.770 7.931 1.00 51.31 O ATOM 0 H GLU A 35 17.838 -3.554 3.818 1.00 22.15 H new ATOM 0 HA GLU A 35 20.430 -3.704 2.389 1.00 31.24 H new ATOM 0 HB2 GLU A 35 21.069 -4.573 4.838 1.00 30.40 H new ATOM 0 HB3 GLU A 35 21.135 -2.877 4.405 1.00 30.40 H new ATOM 0 HG2 GLU A 35 18.829 -2.583 5.336 1.00 2.34 H new ATOM 0 HG3 GLU A 35 18.841 -4.263 5.834 1.00 2.34 H new ATOM 570 N TRP A 36 18.313 -5.959 3.076 1.00 35.13 N ATOM 571 CA TRP A 36 17.975 -7.373 2.956 1.00 22.15 C ATOM 572 C TRP A 36 16.633 -7.555 2.256 1.00 21.13 C ATOM 573 O TRP A 36 15.667 -6.852 2.552 1.00 10.44 O ATOM 574 CB TRP A 36 17.937 -8.028 4.338 1.00 34.21 C ATOM 575 CG TRP A 36 19.223 -7.893 5.096 1.00 54.42 C ATOM 576 CD1 TRP A 36 19.526 -6.947 6.034 1.00 74.33 C ATOM 577 CD2 TRP A 36 20.379 -8.729 4.978 1.00 51.31 C ATOM 578 NE1 TRP A 36 20.801 -7.145 6.506 1.00 73.30 N ATOM 579 CE2 TRP A 36 21.345 -8.232 5.875 1.00 61.31 C ATOM 580 CE3 TRP A 36 20.691 -9.849 4.204 1.00 64.32 C ATOM 581 CZ2 TRP A 36 22.600 -8.818 6.016 1.00 61.42 C ATOM 582 CZ3 TRP A 36 21.938 -10.430 4.345 1.00 54.44 C ATOM 583 CH2 TRP A 36 22.879 -9.914 5.245 1.00 23.33 C ATOM 0 H TRP A 36 17.508 -5.339 3.163 1.00 35.13 H new ATOM 0 HA TRP A 36 18.745 -7.855 2.354 1.00 22.15 H new ATOM 0 HB2 TRP A 36 17.131 -7.582 4.921 1.00 34.21 H new ATOM 0 HB3 TRP A 36 17.700 -9.086 4.224 1.00 34.21 H new ATOM 0 HD1 TRP A 36 18.861 -6.160 6.357 1.00 74.33 H new ATOM 0 HE1 TRP A 36 21.267 -6.575 7.212 1.00 73.30 H new ATOM 0 HE3 TRP A 36 19.971 -10.254 3.508 1.00 64.32 H new ATOM 0 HZ2 TRP A 36 23.327 -8.422 6.709 1.00 61.42 H new ATOM 0 HZ3 TRP A 36 22.190 -11.296 3.751 1.00 54.44 H new ATOM 0 HH2 TRP A 36 23.844 -10.391 5.332 1.00 23.33 H new ATOM 594 N PHE A 37 16.579 -8.503 1.327 1.00 63.15 N ATOM 595 CA PHE A 37 15.355 -8.777 0.584 1.00 54.44 C ATOM 596 C PHE A 37 14.848 -10.187 0.871 1.00 71.04 C ATOM 597 O PHE A 37 15.603 -11.157 0.795 1.00 42.45 O ATOM 598 CB PHE A 37 15.595 -8.604 -0.918 1.00 35.43 C ATOM 599 CG PHE A 37 14.927 -7.390 -1.496 1.00 11.50 C ATOM 600 CD1 PHE A 37 13.579 -7.155 -1.280 1.00 75.15 C ATOM 601 CD2 PHE A 37 15.648 -6.482 -2.256 1.00 31.25 C ATOM 602 CE1 PHE A 37 12.961 -6.038 -1.811 1.00 1.12 C ATOM 603 CE2 PHE A 37 15.036 -5.363 -2.788 1.00 61.10 C ATOM 604 CZ PHE A 37 13.691 -5.141 -2.566 1.00 72.35 C ATOM 0 H PHE A 37 17.369 -9.095 1.071 1.00 63.15 H new ATOM 0 HA PHE A 37 14.596 -8.065 0.908 1.00 54.44 H new ATOM 0 HB2 PHE A 37 16.668 -8.541 -1.101 1.00 35.43 H new ATOM 0 HB3 PHE A 37 15.234 -9.490 -1.440 1.00 35.43 H new ATOM 0 HD1 PHE A 37 13.004 -7.853 -0.690 1.00 75.15 H new ATOM 0 HD2 PHE A 37 16.700 -6.651 -2.434 1.00 31.25 H new ATOM 0 HE1 PHE A 37 11.909 -5.867 -1.636 1.00 1.12 H new ATOM 0 HE2 PHE A 37 15.609 -4.662 -3.377 1.00 61.10 H new ATOM 0 HZ PHE A 37 13.211 -4.268 -2.982 1.00 72.35 H new ATOM 614 N ILE A 38 13.565 -10.292 1.201 1.00 23.51 N ATOM 615 CA ILE A 38 12.957 -11.583 1.499 1.00 24.30 C ATOM 616 C ILE A 38 12.530 -12.298 0.221 1.00 12.44 C ATOM 617 O ILE A 38 11.439 -12.063 -0.298 1.00 0.13 O ATOM 618 CB ILE A 38 11.734 -11.430 2.422 1.00 41.10 C ATOM 619 CG1 ILE A 38 12.054 -10.476 3.574 1.00 12.45 C ATOM 620 CG2 ILE A 38 11.300 -12.787 2.956 1.00 53.24 C ATOM 621 CD1 ILE A 38 13.254 -10.897 4.393 1.00 61.42 C ATOM 0 H ILE A 38 12.927 -9.499 1.269 1.00 23.51 H new ATOM 0 HA ILE A 38 13.714 -12.178 2.009 1.00 24.30 H new ATOM 0 HB ILE A 38 10.911 -11.009 1.844 1.00 41.10 H new ATOM 0 HG12 ILE A 38 12.232 -9.479 3.171 1.00 12.45 H new ATOM 0 HG13 ILE A 38 11.185 -10.405 4.228 1.00 12.45 H new ATOM 0 HG21 ILE A 38 10.435 -12.662 3.607 1.00 53.24 H new ATOM 0 HG22 ILE A 38 11.037 -13.439 2.123 1.00 53.24 H new ATOM 0 HG23 ILE A 38 12.118 -13.234 3.522 1.00 53.24 H new ATOM 0 HD11 ILE A 38 13.421 -10.174 5.191 1.00 61.42 H new ATOM 0 HD12 ILE A 38 13.072 -11.881 4.826 1.00 61.42 H new ATOM 0 HD13 ILE A 38 14.135 -10.940 3.752 1.00 61.42 H new ATOM 633 N ALA A 39 13.396 -13.172 -0.280 1.00 4.15 N ATOM 634 CA ALA A 39 13.107 -13.924 -1.494 1.00 41.12 C ATOM 635 C ALA A 39 12.896 -15.403 -1.187 1.00 42.43 C ATOM 636 O ALA A 39 13.476 -15.941 -0.244 1.00 1.30 O ATOM 637 CB ALA A 39 14.231 -13.748 -2.504 1.00 42.43 C ATOM 0 H ALA A 39 14.304 -13.377 0.137 1.00 4.15 H new ATOM 0 HA ALA A 39 12.184 -13.534 -1.922 1.00 41.12 H new ATOM 0 HB1 ALA A 39 14.002 -14.315 -3.406 1.00 42.43 H new ATOM 0 HB2 ALA A 39 14.332 -12.692 -2.755 1.00 42.43 H new ATOM 0 HB3 ALA A 39 15.165 -14.110 -2.075 1.00 42.43 H new ATOM 643 N LYS A 40 12.062 -16.055 -1.989 1.00 72.34 N ATOM 644 CA LYS A 40 11.774 -17.473 -1.805 1.00 12.34 C ATOM 645 C LYS A 40 12.052 -18.256 -3.084 1.00 13.41 C ATOM 646 O LYS A 40 12.057 -17.708 -4.187 1.00 34.14 O ATOM 647 CB LYS A 40 10.316 -17.667 -1.382 1.00 30.14 C ATOM 648 CG LYS A 40 9.337 -16.802 -2.156 1.00 43.34 C ATOM 649 CD LYS A 40 7.905 -17.274 -1.968 1.00 3.32 C ATOM 650 CE LYS A 40 6.952 -16.549 -2.905 1.00 54.12 C ATOM 651 NZ LYS A 40 6.851 -17.227 -4.227 1.00 72.11 N ATOM 0 H LYS A 40 11.573 -15.624 -2.774 1.00 72.34 H new ATOM 0 HA LYS A 40 12.428 -17.852 -1.019 1.00 12.34 H new ATOM 0 HB2 LYS A 40 10.045 -18.714 -1.514 1.00 30.14 H new ATOM 0 HB3 LYS A 40 10.222 -17.445 -0.319 1.00 30.14 H new ATOM 0 HG2 LYS A 40 9.426 -15.767 -1.827 1.00 43.34 H new ATOM 0 HG3 LYS A 40 9.591 -16.822 -3.216 1.00 43.34 H new ATOM 0 HD2 LYS A 40 7.848 -18.347 -2.148 1.00 3.32 H new ATOM 0 HD3 LYS A 40 7.598 -17.108 -0.935 1.00 3.32 H new ATOM 0 HE2 LYS A 40 5.964 -16.495 -2.448 1.00 54.12 H new ATOM 0 HE3 LYS A 40 7.293 -15.524 -3.048 1.00 54.12 H new ATOM 0 HZ1 LYS A 40 6.406 -16.585 -4.913 1.00 72.11 H new ATOM 0 HZ2 LYS A 40 7.803 -17.484 -4.559 1.00 72.11 H new ATOM 0 HZ3 LYS A 40 6.274 -18.087 -4.133 1.00 72.11 H new ATOM 665 N PRO A 41 12.287 -19.568 -2.936 1.00 44.33 N ATOM 666 CA PRO A 41 12.568 -20.454 -4.070 1.00 3.02 C ATOM 667 C PRO A 41 11.344 -20.673 -4.951 1.00 74.44 C ATOM 668 O PRO A 41 10.240 -20.895 -4.452 1.00 52.44 O ATOM 669 CB PRO A 41 12.987 -21.765 -3.400 1.00 34.13 C ATOM 670 CG PRO A 41 12.330 -21.733 -2.063 1.00 23.43 C ATOM 671 CD PRO A 41 12.297 -20.287 -1.652 1.00 24.44 C ATOM 0 HA PRO A 41 13.325 -20.038 -4.735 1.00 3.02 H new ATOM 0 HB2 PRO A 41 12.662 -22.628 -3.981 1.00 34.13 H new ATOM 0 HB3 PRO A 41 14.071 -21.834 -3.307 1.00 34.13 H new ATOM 0 HG2 PRO A 41 11.323 -22.147 -2.113 1.00 23.43 H new ATOM 0 HG3 PRO A 41 12.886 -22.331 -1.341 1.00 23.43 H new ATOM 0 HD2 PRO A 41 11.413 -20.059 -1.057 1.00 24.44 H new ATOM 0 HD3 PRO A 41 13.165 -20.021 -1.049 1.00 24.44 H new ATOM 679 N ILE A 42 11.546 -20.611 -6.263 1.00 71.11 N ATOM 680 CA ILE A 42 10.458 -20.805 -7.213 1.00 52.34 C ATOM 681 C ILE A 42 10.451 -22.229 -7.759 1.00 1.22 C ATOM 682 O ILE A 42 9.423 -22.723 -8.220 1.00 10.24 O ATOM 683 CB ILE A 42 10.556 -19.817 -8.391 1.00 11.43 C ATOM 684 CG1 ILE A 42 10.632 -18.379 -7.873 1.00 52.21 C ATOM 685 CG2 ILE A 42 9.368 -19.987 -9.325 1.00 53.25 C ATOM 686 CD1 ILE A 42 10.800 -17.350 -8.969 1.00 71.13 C ATOM 0 H ILE A 42 12.453 -20.428 -6.692 1.00 71.11 H new ATOM 0 HA ILE A 42 9.530 -20.622 -6.671 1.00 52.34 H new ATOM 0 HB ILE A 42 11.467 -20.031 -8.951 1.00 11.43 H new ATOM 0 HG12 ILE A 42 9.725 -18.155 -7.312 1.00 52.21 H new ATOM 0 HG13 ILE A 42 11.466 -18.296 -7.177 1.00 52.21 H new ATOM 0 HG21 ILE A 42 9.452 -19.282 -10.152 1.00 53.25 H new ATOM 0 HG22 ILE A 42 9.355 -21.005 -9.715 1.00 53.25 H new ATOM 0 HG23 ILE A 42 8.445 -19.796 -8.778 1.00 53.25 H new ATOM 0 HD11 ILE A 42 10.846 -16.354 -8.529 1.00 71.13 H new ATOM 0 HD12 ILE A 42 11.722 -17.548 -9.516 1.00 71.13 H new ATOM 0 HD13 ILE A 42 9.953 -17.405 -9.653 1.00 71.13 H new ATOM 769 N PRO A 47 10.518 -20.156 2.070 1.00 62.41 N ATOM 770 CA PRO A 47 11.086 -18.811 1.936 1.00 34.43 C ATOM 771 C PRO A 47 12.289 -18.597 2.848 1.00 40.21 C ATOM 772 O PRO A 47 12.369 -19.172 3.932 1.00 22.42 O ATOM 773 CB PRO A 47 9.931 -17.896 2.351 1.00 33.41 C ATOM 774 CG PRO A 47 9.085 -18.735 3.246 1.00 62.42 C ATOM 775 CD PRO A 47 9.199 -20.141 2.725 1.00 63.33 C ATOM 0 HA PRO A 47 11.456 -18.623 0.928 1.00 34.43 H new ATOM 0 HB2 PRO A 47 10.295 -17.009 2.868 1.00 33.41 H new ATOM 0 HB3 PRO A 47 9.368 -17.551 1.484 1.00 33.41 H new ATOM 0 HG2 PRO A 47 9.428 -18.672 4.279 1.00 62.42 H new ATOM 0 HG3 PRO A 47 8.049 -18.397 3.233 1.00 62.42 H new ATOM 0 HD2 PRO A 47 9.142 -20.874 3.530 1.00 63.33 H new ATOM 0 HD3 PRO A 47 8.399 -20.376 2.023 1.00 63.33 H new ATOM 783 N GLY A 48 13.224 -17.764 2.400 1.00 13.55 N ATOM 784 CA GLY A 48 14.410 -17.488 3.189 1.00 44.41 C ATOM 785 C GLY A 48 14.740 -16.009 3.242 1.00 65.21 C ATOM 786 O GLY A 48 13.844 -15.168 3.321 1.00 4.32 O ATOM 0 H GLY A 48 13.181 -17.276 1.505 1.00 13.55 H new ATOM 0 HA2 GLY A 48 14.263 -17.861 4.203 1.00 44.41 H new ATOM 0 HA3 GLY A 48 15.257 -18.031 2.769 1.00 44.41 H new ATOM 790 N LEU A 49 16.029 -15.691 3.200 1.00 44.43 N ATOM 791 CA LEU A 49 16.476 -14.303 3.245 1.00 4.31 C ATOM 792 C LEU A 49 17.735 -14.108 2.405 1.00 34.11 C ATOM 793 O LEU A 49 18.696 -14.868 2.523 1.00 41.12 O ATOM 794 CB LEU A 49 16.744 -13.879 4.690 1.00 31.45 C ATOM 795 CG LEU A 49 16.623 -12.384 4.985 1.00 4.21 C ATOM 796 CD1 LEU A 49 15.843 -12.154 6.270 1.00 4.02 C ATOM 797 CD2 LEU A 49 18.002 -11.745 5.074 1.00 32.02 C ATOM 0 H LEU A 49 16.783 -16.375 3.135 1.00 44.43 H new ATOM 0 HA LEU A 49 15.684 -13.679 2.830 1.00 4.31 H new ATOM 0 HB2 LEU A 49 16.051 -14.414 5.339 1.00 31.45 H new ATOM 0 HB3 LEU A 49 17.749 -14.202 4.962 1.00 31.45 H new ATOM 0 HG LEU A 49 16.079 -11.915 4.166 1.00 4.21 H new ATOM 0 HD11 LEU A 49 15.767 -11.084 6.463 1.00 4.02 H new ATOM 0 HD12 LEU A 49 14.843 -12.576 6.169 1.00 4.02 H new ATOM 0 HD13 LEU A 49 16.359 -12.637 7.100 1.00 4.02 H new ATOM 0 HD21 LEU A 49 17.897 -10.681 5.284 1.00 32.02 H new ATOM 0 HD22 LEU A 49 18.572 -12.219 5.874 1.00 32.02 H new ATOM 0 HD23 LEU A 49 18.526 -11.878 4.128 1.00 32.02 H new ATOM 809 N VAL A 50 17.722 -13.084 1.558 1.00 0.41 N ATOM 810 CA VAL A 50 18.863 -12.786 0.701 1.00 62.54 C ATOM 811 C VAL A 50 19.067 -11.282 0.558 1.00 33.32 C ATOM 812 O VAL A 50 18.127 -10.523 0.321 1.00 72.31 O ATOM 813 CB VAL A 50 18.689 -13.405 -0.699 1.00 42.34 C ATOM 814 CG1 VAL A 50 17.427 -12.876 -1.364 1.00 20.24 C ATOM 815 CG2 VAL A 50 19.912 -13.125 -1.560 1.00 72.34 C ATOM 0 H VAL A 50 16.933 -12.447 1.447 1.00 0.41 H new ATOM 0 HA VAL A 50 19.740 -13.224 1.178 1.00 62.54 H new ATOM 0 HB VAL A 50 18.588 -14.485 -0.590 1.00 42.34 H new ATOM 0 HG11 VAL A 50 17.321 -13.324 -2.352 1.00 20.24 H new ATOM 0 HG12 VAL A 50 16.560 -13.131 -0.755 1.00 20.24 H new ATOM 0 HG13 VAL A 50 17.495 -11.793 -1.463 1.00 20.24 H new ATOM 0 HG21 VAL A 50 19.773 -13.569 -2.546 1.00 72.34 H new ATOM 0 HG22 VAL A 50 20.046 -12.048 -1.663 1.00 72.34 H new ATOM 0 HG23 VAL A 50 20.795 -13.557 -1.089 1.00 72.34 H new ATOM 825 N PRO A 51 20.324 -10.839 0.706 1.00 51.23 N ATOM 826 CA PRO A 51 20.681 -9.421 0.597 1.00 62.34 C ATOM 827 C PRO A 51 20.561 -8.902 -0.832 1.00 4.41 C ATOM 828 O PRO A 51 20.696 -9.660 -1.792 1.00 45.35 O ATOM 829 CB PRO A 51 22.140 -9.387 1.058 1.00 45.15 C ATOM 830 CG PRO A 51 22.657 -10.757 0.783 1.00 31.01 C ATOM 831 CD PRO A 51 21.494 -11.687 0.990 1.00 74.11 C ATOM 0 HA PRO A 51 20.019 -8.787 1.186 1.00 62.34 H new ATOM 0 HB2 PRO A 51 22.709 -8.633 0.515 1.00 45.15 H new ATOM 0 HB3 PRO A 51 22.215 -9.141 2.117 1.00 45.15 H new ATOM 0 HG2 PRO A 51 23.041 -10.832 -0.234 1.00 31.01 H new ATOM 0 HG3 PRO A 51 23.480 -11.006 1.453 1.00 31.01 H new ATOM 0 HD2 PRO A 51 21.541 -12.545 0.319 1.00 74.11 H new ATOM 0 HD3 PRO A 51 21.469 -12.079 2.007 1.00 74.11 H new ATOM 839 N VAL A 52 20.307 -7.604 -0.965 1.00 44.43 N ATOM 840 CA VAL A 52 20.171 -6.982 -2.277 1.00 70.11 C ATOM 841 C VAL A 52 21.484 -7.036 -3.050 1.00 1.32 C ATOM 842 O VAL A 52 21.498 -6.940 -4.277 1.00 25.41 O ATOM 843 CB VAL A 52 19.717 -5.515 -2.159 1.00 22.03 C ATOM 844 CG1 VAL A 52 19.317 -4.968 -3.520 1.00 63.05 C ATOM 845 CG2 VAL A 52 18.570 -5.391 -1.167 1.00 60.03 C ATOM 0 H VAL A 52 20.191 -6.963 -0.180 1.00 44.43 H new ATOM 0 HA VAL A 52 19.411 -7.547 -2.817 1.00 70.11 H new ATOM 0 HB VAL A 52 20.554 -4.923 -1.788 1.00 22.03 H new ATOM 0 HG11 VAL A 52 18.999 -3.931 -3.416 1.00 63.05 H new ATOM 0 HG12 VAL A 52 20.169 -5.020 -4.198 1.00 63.05 H new ATOM 0 HG13 VAL A 52 18.496 -5.560 -3.923 1.00 63.05 H new ATOM 0 HG21 VAL A 52 18.262 -4.348 -1.096 1.00 60.03 H new ATOM 0 HG22 VAL A 52 17.729 -5.996 -1.506 1.00 60.03 H new ATOM 0 HG23 VAL A 52 18.897 -5.740 -0.188 1.00 60.03 H new ATOM 855 N SER A 53 22.586 -7.189 -2.323 1.00 23.21 N ATOM 856 CA SER A 53 23.906 -7.252 -2.940 1.00 21.34 C ATOM 857 C SER A 53 24.147 -8.621 -3.569 1.00 73.12 C ATOM 858 O SER A 53 25.183 -8.857 -4.191 1.00 74.34 O ATOM 859 CB SER A 53 24.992 -6.957 -1.903 1.00 34.44 C ATOM 860 OG SER A 53 26.273 -7.318 -2.389 1.00 51.40 O ATOM 0 H SER A 53 22.591 -7.272 -1.306 1.00 23.21 H new ATOM 0 HA SER A 53 23.949 -6.497 -3.725 1.00 21.34 H new ATOM 0 HB2 SER A 53 24.981 -5.896 -1.652 1.00 34.44 H new ATOM 0 HB3 SER A 53 24.781 -7.505 -0.985 1.00 34.44 H new ATOM 0 HG SER A 53 26.174 -7.868 -3.194 1.00 51.40 H new ATOM 866 N TYR A 54 23.182 -9.519 -3.403 1.00 24.34 N ATOM 867 CA TYR A 54 23.289 -10.866 -3.952 1.00 1.23 C ATOM 868 C TYR A 54 22.087 -11.191 -4.833 1.00 63.44 C ATOM 869 O TYR A 54 21.810 -12.356 -5.120 1.00 61.03 O ATOM 870 CB TYR A 54 23.400 -11.892 -2.823 1.00 24.20 C ATOM 871 CG TYR A 54 24.796 -12.018 -2.254 1.00 53.41 C ATOM 872 CD1 TYR A 54 25.303 -11.056 -1.388 1.00 60.34 C ATOM 873 CD2 TYR A 54 25.607 -13.096 -2.583 1.00 21.42 C ATOM 874 CE1 TYR A 54 26.577 -11.166 -0.867 1.00 25.13 C ATOM 875 CE2 TYR A 54 26.882 -13.215 -2.065 1.00 21.23 C ATOM 876 CZ TYR A 54 27.363 -12.248 -1.207 1.00 51.44 C ATOM 877 OH TYR A 54 28.633 -12.362 -0.690 1.00 40.43 O ATOM 0 H TYR A 54 22.317 -9.339 -2.893 1.00 24.34 H new ATOM 0 HA TYR A 54 24.189 -10.911 -4.565 1.00 1.23 H new ATOM 0 HB2 TYR A 54 22.714 -11.615 -2.023 1.00 24.20 H new ATOM 0 HB3 TYR A 54 23.079 -12.865 -3.195 1.00 24.20 H new ATOM 0 HD1 TYR A 54 24.690 -10.209 -1.118 1.00 60.34 H new ATOM 0 HD2 TYR A 54 25.234 -13.855 -3.256 1.00 21.42 H new ATOM 0 HE1 TYR A 54 26.956 -10.409 -0.197 1.00 25.13 H new ATOM 0 HE2 TYR A 54 27.499 -14.061 -2.330 1.00 21.23 H new ATOM 0 HH TYR A 54 29.052 -13.181 -1.028 1.00 40.43 H new ATOM 887 N VAL A 55 21.377 -10.152 -5.261 1.00 72.52 N ATOM 888 CA VAL A 55 20.205 -10.326 -6.112 1.00 5.31 C ATOM 889 C VAL A 55 20.028 -9.138 -7.051 1.00 60.12 C ATOM 890 O VAL A 55 20.559 -8.055 -6.806 1.00 11.23 O ATOM 891 CB VAL A 55 18.924 -10.500 -5.275 1.00 5.24 C ATOM 892 CG1 VAL A 55 19.097 -11.621 -4.261 1.00 2.52 C ATOM 893 CG2 VAL A 55 18.559 -9.195 -4.583 1.00 24.34 C ATOM 0 H VAL A 55 21.592 -9.181 -5.033 1.00 72.52 H new ATOM 0 HA VAL A 55 20.371 -11.229 -6.699 1.00 5.31 H new ATOM 0 HB VAL A 55 18.107 -10.771 -5.944 1.00 5.24 H new ATOM 0 HG11 VAL A 55 18.182 -11.729 -3.679 1.00 2.52 H new ATOM 0 HG12 VAL A 55 19.308 -12.554 -4.783 1.00 2.52 H new ATOM 0 HG13 VAL A 55 19.926 -11.383 -3.594 1.00 2.52 H new ATOM 0 HG21 VAL A 55 17.651 -9.336 -3.996 1.00 24.34 H new ATOM 0 HG22 VAL A 55 19.373 -8.892 -3.925 1.00 24.34 H new ATOM 0 HG23 VAL A 55 18.390 -8.421 -5.332 1.00 24.34 H new ATOM 903 N ARG A 56 19.278 -9.349 -8.128 1.00 33.04 N ATOM 904 CA ARG A 56 19.030 -8.296 -9.105 1.00 4.21 C ATOM 905 C ARG A 56 17.535 -8.128 -9.356 1.00 52.43 C ATOM 906 O ARG A 56 16.887 -9.010 -9.919 1.00 60.55 O ATOM 907 CB ARG A 56 19.747 -8.612 -10.419 1.00 51.31 C ATOM 908 CG ARG A 56 19.348 -7.697 -11.566 1.00 34.24 C ATOM 909 CD ARG A 56 20.030 -8.100 -12.863 1.00 63.23 C ATOM 910 NE ARG A 56 21.254 -7.339 -13.097 1.00 45.11 N ATOM 911 CZ ARG A 56 22.228 -7.742 -13.906 1.00 75.44 C ATOM 912 NH1 ARG A 56 22.120 -8.893 -14.556 1.00 75.11 N ATOM 913 NH2 ARG A 56 23.311 -6.994 -14.067 1.00 43.04 N ATOM 0 H ARG A 56 18.832 -10.240 -8.346 1.00 33.04 H new ATOM 0 HA ARG A 56 19.420 -7.361 -8.702 1.00 4.21 H new ATOM 0 HB2 ARG A 56 20.823 -8.537 -10.263 1.00 51.31 H new ATOM 0 HB3 ARG A 56 19.537 -9.644 -10.699 1.00 51.31 H new ATOM 0 HG2 ARG A 56 18.266 -7.727 -11.698 1.00 34.24 H new ATOM 0 HG3 ARG A 56 19.610 -6.668 -11.320 1.00 34.24 H new ATOM 0 HD2 ARG A 56 20.265 -9.164 -12.834 1.00 63.23 H new ATOM 0 HD3 ARG A 56 19.344 -7.948 -13.696 1.00 63.23 H new ATOM 0 HE ARG A 56 21.368 -6.449 -12.613 1.00 45.11 H new ATOM 0 HH11 ARG A 56 21.288 -9.471 -14.435 1.00 75.11 H new ATOM 0 HH12 ARG A 56 22.869 -9.200 -15.177 1.00 75.11 H new ATOM 0 HH21 ARG A 56 23.397 -6.108 -13.569 1.00 43.04 H new ATOM 0 HH22 ARG A 56 24.058 -7.305 -14.688 1.00 43.04 H new ATOM 927 N ILE A 57 16.994 -6.990 -8.935 1.00 14.34 N ATOM 928 CA ILE A 57 15.575 -6.706 -9.115 1.00 22.14 C ATOM 929 C ILE A 57 15.220 -6.597 -10.594 1.00 12.15 C ATOM 930 O ILE A 57 15.670 -5.682 -11.284 1.00 70.44 O ATOM 931 CB ILE A 57 15.167 -5.403 -8.402 1.00 72.15 C ATOM 932 CG1 ILE A 57 15.583 -5.448 -6.931 1.00 24.31 C ATOM 933 CG2 ILE A 57 13.667 -5.179 -8.527 1.00 42.24 C ATOM 934 CD1 ILE A 57 14.869 -6.516 -6.133 1.00 73.52 C ATOM 0 H ILE A 57 17.516 -6.249 -8.467 1.00 14.34 H new ATOM 0 HA ILE A 57 15.027 -7.538 -8.673 1.00 22.14 H new ATOM 0 HB ILE A 57 15.681 -4.569 -8.879 1.00 72.15 H new ATOM 0 HG12 ILE A 57 16.658 -5.619 -6.871 1.00 24.31 H new ATOM 0 HG13 ILE A 57 15.389 -4.476 -6.477 1.00 24.31 H new ATOM 0 HG21 ILE A 57 13.394 -4.255 -8.018 1.00 42.24 H new ATOM 0 HG22 ILE A 57 13.396 -5.107 -9.580 1.00 42.24 H new ATOM 0 HG23 ILE A 57 13.135 -6.015 -8.072 1.00 42.24 H new ATOM 0 HD11 ILE A 57 15.214 -6.489 -5.099 1.00 73.52 H new ATOM 0 HD12 ILE A 57 13.795 -6.335 -6.162 1.00 73.52 H new ATOM 0 HD13 ILE A 57 15.083 -7.495 -6.562 1.00 73.52 H new ATOM 946 N ILE A 58 14.409 -7.534 -11.072 1.00 74.11 N ATOM 947 CA ILE A 58 13.990 -7.541 -12.468 1.00 62.24 C ATOM 948 C ILE A 58 12.487 -7.769 -12.591 1.00 24.32 C ATOM 949 O ILE A 58 11.918 -8.608 -11.893 1.00 34.22 O ATOM 950 CB ILE A 58 14.730 -8.627 -13.272 1.00 50.12 C ATOM 951 CG1 ILE A 58 14.618 -9.980 -12.567 1.00 1.15 C ATOM 952 CG2 ILE A 58 16.189 -8.242 -13.463 1.00 64.14 C ATOM 953 CD1 ILE A 58 14.308 -11.126 -13.503 1.00 74.14 C ATOM 0 H ILE A 58 14.029 -8.298 -10.513 1.00 74.11 H new ATOM 0 HA ILE A 58 14.241 -6.562 -12.877 1.00 62.24 H new ATOM 0 HB ILE A 58 14.265 -8.711 -14.254 1.00 50.12 H new ATOM 0 HG12 ILE A 58 15.554 -10.189 -12.048 1.00 1.15 H new ATOM 0 HG13 ILE A 58 13.838 -9.921 -11.807 1.00 1.15 H new ATOM 0 HG21 ILE A 58 16.699 -9.019 -14.033 1.00 64.14 H new ATOM 0 HG22 ILE A 58 16.248 -7.297 -14.004 1.00 64.14 H new ATOM 0 HG23 ILE A 58 16.667 -8.133 -12.489 1.00 64.14 H new ATOM 0 HD11 ILE A 58 14.243 -12.053 -12.934 1.00 74.14 H new ATOM 0 HD12 ILE A 58 13.358 -10.940 -14.003 1.00 74.14 H new ATOM 0 HD13 ILE A 58 15.099 -11.212 -14.248 1.00 74.14 H new ATOM 965 N ASP A 59 11.852 -7.018 -13.483 1.00 74.44 N ATOM 966 CA ASP A 59 10.415 -7.140 -13.700 1.00 73.32 C ATOM 967 C ASP A 59 10.090 -8.403 -14.492 1.00 33.35 C ATOM 968 O ASP A 59 10.582 -8.595 -15.604 1.00 75.44 O ATOM 969 CB ASP A 59 9.883 -5.910 -14.438 1.00 35.54 C ATOM 970 CG ASP A 59 8.369 -5.829 -14.410 1.00 71.03 C ATOM 971 OD1 ASP A 59 7.725 -6.485 -15.255 1.00 34.10 O ATOM 972 OD2 ASP A 59 7.829 -5.109 -13.545 1.00 14.42 O ATOM 0 H ASP A 59 12.309 -6.318 -14.068 1.00 74.44 H new ATOM 0 HA ASP A 59 9.930 -7.208 -12.726 1.00 73.32 H new ATOM 0 HB2 ASP A 59 10.301 -5.010 -13.987 1.00 35.54 H new ATOM 0 HB3 ASP A 59 10.224 -5.935 -15.473 1.00 35.54 H new ATOM 977 N LEU A 60 9.260 -9.262 -13.910 1.00 73.21 N ATOM 978 CA LEU A 60 8.869 -10.508 -14.560 1.00 63.53 C ATOM 979 C LEU A 60 8.348 -10.247 -15.970 1.00 22.31 C ATOM 980 O LEU A 60 8.526 -11.068 -16.870 1.00 0.43 O ATOM 981 CB LEU A 60 7.800 -11.225 -13.734 1.00 1.14 C ATOM 982 CG LEU A 60 8.249 -12.496 -13.012 1.00 64.02 C ATOM 983 CD1 LEU A 60 7.086 -13.121 -12.257 1.00 44.33 C ATOM 984 CD2 LEU A 60 8.841 -13.490 -14.001 1.00 51.23 C ATOM 0 H LEU A 60 8.845 -9.118 -12.989 1.00 73.21 H new ATOM 0 HA LEU A 60 9.752 -11.144 -14.630 1.00 63.53 H new ATOM 0 HB2 LEU A 60 7.414 -10.527 -12.991 1.00 1.14 H new ATOM 0 HB3 LEU A 60 6.970 -11.480 -14.393 1.00 1.14 H new ATOM 0 HG LEU A 60 9.021 -12.228 -12.291 1.00 64.02 H new ATOM 0 HD11 LEU A 60 7.425 -14.024 -11.750 1.00 44.33 H new ATOM 0 HD12 LEU A 60 6.707 -12.412 -11.521 1.00 44.33 H new ATOM 0 HD13 LEU A 60 6.291 -13.375 -12.959 1.00 44.33 H new ATOM 0 HD21 LEU A 60 9.155 -14.388 -13.470 1.00 51.23 H new ATOM 0 HD22 LEU A 60 8.090 -13.753 -14.746 1.00 51.23 H new ATOM 0 HD23 LEU A 60 9.702 -13.041 -14.496 1.00 51.23 H new ATOM 996 N MET A 61 7.706 -9.098 -16.154 1.00 60.43 N ATOM 997 CA MET A 61 7.162 -8.728 -17.456 1.00 2.33 C ATOM 998 C MET A 61 8.241 -8.108 -18.339 1.00 74.20 C ATOM 999 O MET A 61 8.187 -8.212 -19.565 1.00 3.34 O ATOM 1000 CB MET A 61 6.000 -7.747 -17.286 1.00 70.42 C ATOM 1001 CG MET A 61 5.081 -8.089 -16.125 1.00 21.35 C ATOM 1002 SD MET A 61 4.395 -9.752 -16.248 1.00 20.23 S ATOM 1003 CE MET A 61 4.664 -10.353 -14.582 1.00 75.50 C ATOM 0 H MET A 61 7.550 -8.408 -15.419 1.00 60.43 H new ATOM 0 HA MET A 61 6.796 -9.633 -17.941 1.00 2.33 H new ATOM 0 HB2 MET A 61 6.401 -6.744 -17.138 1.00 70.42 H new ATOM 0 HB3 MET A 61 5.416 -7.725 -18.206 1.00 70.42 H new ATOM 0 HG2 MET A 61 5.634 -7.996 -15.190 1.00 21.35 H new ATOM 0 HG3 MET A 61 4.266 -7.366 -16.087 1.00 21.35 H new ATOM 0 HE1 MET A 61 4.897 -11.417 -14.612 1.00 75.50 H new ATOM 0 HE2 MET A 61 5.496 -9.812 -14.130 1.00 75.50 H new ATOM 0 HE3 MET A 61 3.763 -10.195 -13.989 1.00 75.50 H new ATOM 1013 N ASP A 62 9.217 -7.465 -17.709 1.00 42.42 N ATOM 1014 CA ASP A 62 10.309 -6.829 -18.438 1.00 75.03 C ATOM 1015 C ASP A 62 11.615 -6.928 -17.657 1.00 32.44 C ATOM 1016 O ASP A 62 12.052 -5.978 -17.007 1.00 32.31 O ATOM 1017 CB ASP A 62 9.977 -5.362 -18.718 1.00 24.21 C ATOM 1018 CG ASP A 62 8.498 -5.140 -18.966 1.00 4.34 C ATOM 1019 OD1 ASP A 62 7.752 -4.961 -17.980 1.00 74.43 O ATOM 1020 OD2 ASP A 62 8.088 -5.143 -20.145 1.00 13.23 O ATOM 0 H ASP A 62 9.275 -7.370 -16.695 1.00 42.42 H new ATOM 0 HA ASP A 62 10.434 -7.353 -19.386 1.00 75.03 H new ATOM 0 HB2 ASP A 62 10.296 -4.753 -17.872 1.00 24.21 H new ATOM 0 HB3 ASP A 62 10.543 -5.024 -19.586 1.00 24.21 H new ATOM 1025 N PRO A 63 12.254 -8.106 -17.719 1.00 33.24 N ATOM 1026 CA PRO A 63 13.519 -8.358 -17.022 1.00 73.11 C ATOM 1027 C PRO A 63 14.681 -7.584 -17.634 1.00 4.02 C ATOM 1028 O PRO A 63 15.784 -7.568 -17.088 1.00 0.54 O ATOM 1029 CB PRO A 63 13.727 -9.864 -17.199 1.00 22.22 C ATOM 1030 CG PRO A 63 12.975 -10.208 -18.438 1.00 43.22 C ATOM 1031 CD PRO A 63 11.791 -9.282 -18.474 1.00 34.42 C ATOM 0 HA PRO A 63 13.482 -8.039 -15.980 1.00 73.11 H new ATOM 0 HB2 PRO A 63 14.785 -10.109 -17.297 1.00 22.22 H new ATOM 0 HB3 PRO A 63 13.350 -10.419 -16.340 1.00 22.22 H new ATOM 0 HG2 PRO A 63 13.599 -10.078 -19.322 1.00 43.22 H new ATOM 0 HG3 PRO A 63 12.655 -11.250 -18.424 1.00 43.22 H new ATOM 0 HD2 PRO A 63 11.516 -9.021 -19.496 1.00 34.42 H new ATOM 0 HD3 PRO A 63 10.913 -9.735 -18.014 1.00 34.42 H new ATOM 1039 N ALA A 64 14.427 -6.943 -18.770 1.00 61.41 N ATOM 1040 CA ALA A 64 15.452 -6.165 -19.454 1.00 63.33 C ATOM 1041 C ALA A 64 15.372 -4.692 -19.069 1.00 21.23 C ATOM 1042 O ALA A 64 16.241 -3.897 -19.428 1.00 30.21 O ATOM 1043 CB ALA A 64 15.319 -6.326 -20.961 1.00 61.44 C ATOM 0 H ALA A 64 13.520 -6.947 -19.236 1.00 61.41 H new ATOM 0 HA ALA A 64 16.426 -6.542 -19.144 1.00 63.33 H new ATOM 0 HB1 ALA A 64 16.091 -5.739 -21.459 1.00 61.44 H new ATOM 0 HB2 ALA A 64 15.434 -7.377 -21.226 1.00 61.44 H new ATOM 0 HB3 ALA A 64 14.336 -5.977 -21.279 1.00 61.44 H new ATOM 1049 N LYS A 65 14.324 -4.334 -18.336 1.00 14.54 N ATOM 1050 CA LYS A 65 14.129 -2.956 -17.900 1.00 42.30 C ATOM 1051 C LYS A 65 14.914 -2.673 -16.623 1.00 34.02 C ATOM 1052 O LYS A 65 15.675 -1.708 -16.551 1.00 62.23 O ATOM 1053 CB LYS A 65 12.642 -2.677 -17.670 1.00 41.22 C ATOM 1054 CG LYS A 65 11.878 -2.364 -18.945 1.00 32.01 C ATOM 1055 CD LYS A 65 10.857 -1.260 -18.726 1.00 41.24 C ATOM 1056 CE LYS A 65 11.526 0.100 -18.594 1.00 63.42 C ATOM 1057 NZ LYS A 65 10.675 1.192 -19.141 1.00 0.43 N ATOM 0 H LYS A 65 13.596 -4.979 -18.031 1.00 14.54 H new ATOM 0 HA LYS A 65 14.498 -2.297 -18.686 1.00 42.30 H new ATOM 0 HB2 LYS A 65 12.189 -3.543 -17.188 1.00 41.22 H new ATOM 0 HB3 LYS A 65 12.540 -1.839 -16.980 1.00 41.22 H new ATOM 0 HG2 LYS A 65 12.578 -2.064 -19.725 1.00 32.01 H new ATOM 0 HG3 LYS A 65 11.373 -3.263 -19.298 1.00 32.01 H new ATOM 0 HD2 LYS A 65 10.155 -1.242 -19.559 1.00 41.24 H new ATOM 0 HD3 LYS A 65 10.279 -1.471 -17.826 1.00 41.24 H new ATOM 0 HE2 LYS A 65 11.741 0.299 -17.544 1.00 63.42 H new ATOM 0 HE3 LYS A 65 12.482 0.087 -19.118 1.00 63.42 H new ATOM 0 HZ1 LYS A 65 11.166 2.102 -19.032 1.00 0.43 H new ATOM 0 HZ2 LYS A 65 10.490 1.016 -20.149 1.00 0.43 H new ATOM 0 HZ3 LYS A 65 9.773 1.221 -18.624 1.00 0.43 H new ATOM 1071 N TYR A 66 14.724 -3.520 -15.618 1.00 34.44 N ATOM 1072 CA TYR A 66 15.413 -3.361 -14.343 1.00 11.33 C ATOM 1073 C TYR A 66 16.646 -4.257 -14.274 1.00 50.42 C ATOM 1074 O TYR A 66 17.112 -4.608 -13.191 1.00 31.31 O ATOM 1075 CB TYR A 66 14.468 -3.685 -13.184 1.00 42.12 C ATOM 1076 CG TYR A 66 13.351 -2.680 -13.015 1.00 31.42 C ATOM 1077 CD1 TYR A 66 12.373 -2.529 -13.990 1.00 51.22 C ATOM 1078 CD2 TYR A 66 13.274 -1.882 -11.880 1.00 74.32 C ATOM 1079 CE1 TYR A 66 11.351 -1.612 -13.840 1.00 55.22 C ATOM 1080 CE2 TYR A 66 12.254 -0.964 -11.721 1.00 40.10 C ATOM 1081 CZ TYR A 66 11.295 -0.832 -12.704 1.00 22.23 C ATOM 1082 OH TYR A 66 10.279 0.083 -12.550 1.00 32.44 O ATOM 0 H TYR A 66 14.098 -4.324 -15.662 1.00 34.44 H new ATOM 0 HA TYR A 66 15.735 -2.323 -14.261 1.00 11.33 H new ATOM 0 HB2 TYR A 66 14.036 -4.673 -13.344 1.00 42.12 H new ATOM 0 HB3 TYR A 66 15.044 -3.735 -12.260 1.00 42.12 H new ATOM 0 HD1 TYR A 66 12.412 -3.139 -14.880 1.00 51.22 H new ATOM 0 HD2 TYR A 66 14.024 -1.981 -11.109 1.00 74.32 H new ATOM 0 HE1 TYR A 66 10.600 -1.506 -14.608 1.00 55.22 H new ATOM 0 HE2 TYR A 66 12.208 -0.353 -10.832 1.00 40.10 H new ATOM 0 HH TYR A 66 9.623 -0.261 -11.909 1.00 32.44 H new ATOM 1092 N ALA A 67 17.170 -4.621 -15.440 1.00 33.42 N ATOM 1093 CA ALA A 67 18.350 -5.474 -15.514 1.00 11.42 C ATOM 1094 C ALA A 67 19.629 -4.651 -15.400 1.00 31.13 C ATOM 1095 O ALA A 67 20.702 -5.189 -15.129 1.00 23.40 O ATOM 1096 CB ALA A 67 18.346 -6.269 -16.811 1.00 32.55 C ATOM 0 H ALA A 67 16.796 -4.339 -16.346 1.00 33.42 H new ATOM 0 HA ALA A 67 18.319 -6.169 -14.675 1.00 11.42 H new ATOM 0 HB1 ALA A 67 19.233 -6.901 -16.853 1.00 32.55 H new ATOM 0 HB2 ALA A 67 17.453 -6.893 -16.853 1.00 32.55 H new ATOM 0 HB3 ALA A 67 18.349 -5.583 -17.658 1.00 32.55 H new ATOM 1102 N SER A 68 19.507 -3.344 -15.609 1.00 22.14 N ATOM 1103 CA SER A 68 20.655 -2.448 -15.534 1.00 10.24 C ATOM 1104 C SER A 68 20.723 -1.765 -14.171 1.00 53.21 C ATOM 1105 O SER A 68 21.765 -1.242 -13.777 1.00 22.12 O ATOM 1106 CB SER A 68 20.580 -1.395 -16.641 1.00 61.23 C ATOM 1107 OG SER A 68 20.849 -1.969 -17.909 1.00 5.32 O ATOM 0 H SER A 68 18.625 -2.882 -15.831 1.00 22.14 H new ATOM 0 HA SER A 68 21.558 -3.043 -15.669 1.00 10.24 H new ATOM 0 HB2 SER A 68 19.590 -0.939 -16.647 1.00 61.23 H new ATOM 0 HB3 SER A 68 21.296 -0.599 -16.439 1.00 61.23 H new ATOM 0 HG SER A 68 20.793 -1.276 -18.600 1.00 5.32 H new ATOM 1113 N VAL A 69 19.602 -1.773 -13.456 1.00 24.25 N ATOM 1114 CA VAL A 69 19.533 -1.156 -12.136 1.00 62.04 C ATOM 1115 C VAL A 69 20.666 -1.645 -11.241 1.00 12.12 C ATOM 1116 O VAL A 69 21.075 -2.804 -11.317 1.00 0.43 O ATOM 1117 CB VAL A 69 18.187 -1.450 -11.449 1.00 75.11 C ATOM 1118 CG1 VAL A 69 18.094 -2.918 -11.061 1.00 61.15 C ATOM 1119 CG2 VAL A 69 18.004 -0.556 -10.232 1.00 34.20 C ATOM 0 H VAL A 69 18.730 -2.200 -13.768 1.00 24.25 H new ATOM 0 HA VAL A 69 19.629 -0.080 -12.284 1.00 62.04 H new ATOM 0 HB VAL A 69 17.384 -1.234 -12.154 1.00 75.11 H new ATOM 0 HG11 VAL A 69 17.136 -3.106 -10.577 1.00 61.15 H new ATOM 0 HG12 VAL A 69 18.177 -3.536 -11.955 1.00 61.15 H new ATOM 0 HG13 VAL A 69 18.903 -3.164 -10.373 1.00 61.15 H new ATOM 0 HG21 VAL A 69 17.047 -0.777 -9.759 1.00 34.20 H new ATOM 0 HG22 VAL A 69 18.811 -0.738 -9.522 1.00 34.20 H new ATOM 0 HG23 VAL A 69 18.022 0.489 -10.542 1.00 34.20 H new ATOM 1129 N ASP A 70 21.168 -0.754 -10.393 1.00 21.55 N ATOM 1130 CA ASP A 70 22.253 -1.095 -9.480 1.00 24.30 C ATOM 1131 C ASP A 70 21.715 -1.405 -8.087 1.00 12.13 C ATOM 1132 O ASP A 70 21.635 -0.524 -7.230 1.00 30.13 O ATOM 1133 CB ASP A 70 23.265 0.049 -9.407 1.00 10.55 C ATOM 1134 CG ASP A 70 23.934 0.317 -10.740 1.00 43.12 C ATOM 1135 OD1 ASP A 70 23.271 0.884 -11.634 1.00 60.32 O ATOM 1136 OD2 ASP A 70 25.122 -0.039 -10.890 1.00 34.12 O ATOM 0 H ASP A 70 20.841 0.209 -10.319 1.00 21.55 H new ATOM 0 HA ASP A 70 22.751 -1.986 -9.863 1.00 24.30 H new ATOM 0 HB2 ASP A 70 22.761 0.954 -9.068 1.00 10.55 H new ATOM 0 HB3 ASP A 70 24.026 -0.190 -8.664 1.00 10.55 H new ATOM 1141 N THR A 71 21.345 -2.663 -7.867 1.00 12.23 N ATOM 1142 CA THR A 71 20.812 -3.088 -6.579 1.00 34.51 C ATOM 1143 C THR A 71 21.734 -2.676 -5.438 1.00 45.30 C ATOM 1144 O THR A 71 21.276 -2.346 -4.344 1.00 31.11 O ATOM 1145 CB THR A 71 20.607 -4.614 -6.532 1.00 62.52 C ATOM 1146 OG1 THR A 71 21.410 -5.247 -7.535 1.00 73.22 O ATOM 1147 CG2 THR A 71 19.144 -4.971 -6.747 1.00 20.34 C ATOM 0 H THR A 71 21.405 -3.405 -8.564 1.00 12.23 H new ATOM 0 HA THR A 71 19.848 -2.595 -6.459 1.00 34.51 H new ATOM 0 HB THR A 71 20.910 -4.969 -5.547 1.00 62.52 H new ATOM 0 HG1 THR A 71 21.278 -6.217 -7.495 1.00 73.22 H new ATOM 0 HG21 THR A 71 19.024 -6.054 -6.710 1.00 20.34 H new ATOM 0 HG22 THR A 71 18.539 -4.512 -5.965 1.00 20.34 H new ATOM 0 HG23 THR A 71 18.819 -4.604 -7.720 1.00 20.34 H new ATOM 1155 N TYR A 72 23.037 -2.695 -5.700 1.00 75.13 N ATOM 1156 CA TYR A 72 24.024 -2.324 -4.694 1.00 64.11 C ATOM 1157 C TYR A 72 23.785 -0.903 -4.194 1.00 4.30 C ATOM 1158 O TYR A 72 23.825 -0.641 -2.992 1.00 3.33 O ATOM 1159 CB TYR A 72 25.437 -2.444 -5.268 1.00 23.12 C ATOM 1160 CG TYR A 72 26.506 -1.860 -4.372 1.00 22.43 C ATOM 1161 CD1 TYR A 72 26.471 -2.056 -2.997 1.00 21.13 C ATOM 1162 CD2 TYR A 72 27.552 -1.114 -4.901 1.00 1.14 C ATOM 1163 CE1 TYR A 72 27.445 -1.524 -2.174 1.00 42.04 C ATOM 1164 CE2 TYR A 72 28.531 -0.579 -4.086 1.00 64.31 C ATOM 1165 CZ TYR A 72 28.473 -0.787 -2.724 1.00 3.43 C ATOM 1166 OH TYR A 72 29.446 -0.256 -1.908 1.00 64.10 O ATOM 0 H TYR A 72 23.433 -2.963 -6.601 1.00 75.13 H new ATOM 0 HA TYR A 72 23.922 -3.008 -3.851 1.00 64.11 H new ATOM 0 HB2 TYR A 72 25.659 -3.496 -5.447 1.00 23.12 H new ATOM 0 HB3 TYR A 72 25.471 -1.942 -6.235 1.00 23.12 H new ATOM 0 HD1 TYR A 72 25.668 -2.634 -2.564 1.00 21.13 H new ATOM 0 HD2 TYR A 72 27.601 -0.950 -5.967 1.00 1.14 H new ATOM 0 HE1 TYR A 72 27.402 -1.684 -1.107 1.00 42.04 H new ATOM 0 HE2 TYR A 72 29.337 -0.001 -4.513 1.00 64.31 H new ATOM 0 HH TYR A 72 30.097 0.234 -2.452 1.00 64.10 H new ATOM 1176 N ASP A 73 23.537 0.011 -5.126 1.00 35.14 N ATOM 1177 CA ASP A 73 23.289 1.406 -4.781 1.00 50.23 C ATOM 1178 C ASP A 73 22.021 1.543 -3.944 1.00 71.34 C ATOM 1179 O ASP A 73 20.911 1.365 -4.447 1.00 63.13 O ATOM 1180 CB ASP A 73 23.172 2.254 -6.049 1.00 73.52 C ATOM 1181 CG ASP A 73 24.517 2.751 -6.539 1.00 42.25 C ATOM 1182 OD1 ASP A 73 25.355 3.127 -5.693 1.00 14.10 O ATOM 1183 OD2 ASP A 73 24.733 2.766 -7.770 1.00 34.33 O ATOM 0 H ASP A 73 23.502 -0.189 -6.126 1.00 35.14 H new ATOM 0 HA ASP A 73 24.132 1.763 -4.190 1.00 50.23 H new ATOM 0 HB2 ASP A 73 22.698 1.665 -6.834 1.00 73.52 H new ATOM 0 HB3 ASP A 73 22.522 3.107 -5.854 1.00 73.52 H new ATOM 1188 N ARG A 74 22.193 1.858 -2.665 1.00 5.11 N ATOM 1189 CA ARG A 74 21.063 2.016 -1.758 1.00 22.23 C ATOM 1190 C ARG A 74 20.063 3.029 -2.307 1.00 32.13 C ATOM 1191 O ARG A 74 18.874 2.974 -1.993 1.00 23.40 O ATOM 1192 CB ARG A 74 21.549 2.459 -0.376 1.00 54.45 C ATOM 1193 CG ARG A 74 21.945 3.925 -0.312 1.00 42.30 C ATOM 1194 CD ARG A 74 23.244 4.184 -1.060 1.00 14.40 C ATOM 1195 NE ARG A 74 24.305 3.270 -0.648 1.00 32.33 N ATOM 1196 CZ ARG A 74 25.450 3.128 -1.306 1.00 32.00 C ATOM 1197 NH1 ARG A 74 25.681 3.838 -2.402 1.00 34.04 N ATOM 1198 NH2 ARG A 74 26.367 2.275 -0.868 1.00 60.11 N ATOM 0 H ARG A 74 23.105 2.009 -2.233 1.00 5.11 H new ATOM 0 HA ARG A 74 20.564 1.051 -1.668 1.00 22.23 H new ATOM 0 HB2 ARG A 74 20.762 2.272 0.354 1.00 54.45 H new ATOM 0 HB3 ARG A 74 22.404 1.847 -0.087 1.00 54.45 H new ATOM 0 HG2 ARG A 74 21.150 4.537 -0.738 1.00 42.30 H new ATOM 0 HG3 ARG A 74 22.057 4.228 0.729 1.00 42.30 H new ATOM 0 HD2 ARG A 74 23.072 4.080 -2.131 1.00 14.40 H new ATOM 0 HD3 ARG A 74 23.563 5.212 -0.887 1.00 14.40 H new ATOM 0 HE ARG A 74 24.159 2.709 0.192 1.00 32.33 H new ATOM 0 HH11 ARG A 74 24.979 4.495 -2.742 1.00 34.04 H new ATOM 0 HH12 ARG A 74 26.561 3.727 -2.905 1.00 34.04 H new ATOM 0 HH21 ARG A 74 26.193 1.727 -0.025 1.00 60.11 H new ATOM 0 HH22 ARG A 74 27.246 2.167 -1.374 1.00 60.11 H new ATOM 1212 N GLU A 75 20.554 3.953 -3.127 1.00 35.11 N ATOM 1213 CA GLU A 75 19.702 4.979 -3.718 1.00 21.33 C ATOM 1214 C GLU A 75 18.709 4.363 -4.699 1.00 31.41 C ATOM 1215 O GLU A 75 17.503 4.587 -4.599 1.00 30.52 O ATOM 1216 CB GLU A 75 20.554 6.031 -4.430 1.00 53.44 C ATOM 1217 CG GLU A 75 21.093 7.108 -3.503 1.00 72.33 C ATOM 1218 CD GLU A 75 22.059 8.047 -4.199 1.00 73.13 C ATOM 1219 OE1 GLU A 75 22.361 7.812 -5.388 1.00 53.02 O ATOM 1220 OE2 GLU A 75 22.512 9.016 -3.556 1.00 25.13 O ATOM 0 H GLU A 75 21.536 4.012 -3.397 1.00 35.11 H new ATOM 0 HA GLU A 75 19.142 5.458 -2.915 1.00 21.33 H new ATOM 0 HB2 GLU A 75 21.391 5.536 -4.923 1.00 53.44 H new ATOM 0 HB3 GLU A 75 19.957 6.502 -5.211 1.00 53.44 H new ATOM 0 HG2 GLU A 75 20.261 7.684 -3.098 1.00 72.33 H new ATOM 0 HG3 GLU A 75 21.595 6.637 -2.658 1.00 72.33 H new ATOM 1227 N GLN A 76 19.226 3.587 -5.646 1.00 72.21 N ATOM 1228 CA GLN A 76 18.385 2.940 -6.646 1.00 72.41 C ATOM 1229 C GLN A 76 17.387 1.992 -5.988 1.00 3.22 C ATOM 1230 O GLN A 76 16.177 2.119 -6.177 1.00 24.24 O ATOM 1231 CB GLN A 76 19.248 2.173 -7.650 1.00 53.42 C ATOM 1232 CG GLN A 76 20.341 3.019 -8.283 1.00 3.05 C ATOM 1233 CD GLN A 76 20.577 2.674 -9.740 1.00 14.11 C ATOM 1234 OE1 GLN A 76 19.672 2.207 -10.433 1.00 44.31 O ATOM 1235 NE2 GLN A 76 21.796 2.903 -10.213 1.00 60.12 N ATOM 0 H GLN A 76 20.222 3.391 -5.742 1.00 72.21 H new ATOM 0 HA GLN A 76 17.829 3.716 -7.173 1.00 72.41 H new ATOM 0 HB2 GLN A 76 19.705 1.321 -7.147 1.00 53.42 H new ATOM 0 HB3 GLN A 76 18.608 1.774 -8.436 1.00 53.42 H new ATOM 0 HG2 GLN A 76 20.072 4.072 -8.202 1.00 3.05 H new ATOM 0 HG3 GLN A 76 21.268 2.883 -7.727 1.00 3.05 H new ATOM 0 HE21 GLN A 76 22.515 3.291 -9.603 1.00 60.12 H new ATOM 0 HE22 GLN A 76 22.013 2.691 -11.187 1.00 60.12 H new ATOM 1244 N VAL A 77 17.903 1.042 -5.214 1.00 51.02 N ATOM 1245 CA VAL A 77 17.057 0.073 -4.527 1.00 44.20 C ATOM 1246 C VAL A 77 15.987 0.770 -3.695 1.00 51.41 C ATOM 1247 O VAL A 77 14.886 0.250 -3.520 1.00 73.30 O ATOM 1248 CB VAL A 77 17.887 -0.845 -3.610 1.00 61.33 C ATOM 1249 CG1 VAL A 77 18.114 -0.187 -2.258 1.00 14.30 C ATOM 1250 CG2 VAL A 77 17.203 -2.194 -3.448 1.00 33.12 C ATOM 0 H VAL A 77 18.902 0.923 -5.047 1.00 51.02 H new ATOM 0 HA VAL A 77 16.578 -0.531 -5.297 1.00 44.20 H new ATOM 0 HB VAL A 77 18.860 -1.009 -4.074 1.00 61.33 H new ATOM 0 HG11 VAL A 77 18.702 -0.851 -1.624 1.00 14.30 H new ATOM 0 HG12 VAL A 77 18.650 0.752 -2.396 1.00 14.30 H new ATOM 0 HG13 VAL A 77 17.153 0.010 -1.783 1.00 14.30 H new ATOM 0 HG21 VAL A 77 17.803 -2.830 -2.797 1.00 33.12 H new ATOM 0 HG22 VAL A 77 16.217 -2.051 -3.007 1.00 33.12 H new ATOM 0 HG23 VAL A 77 17.099 -2.669 -4.424 1.00 33.12 H new ATOM 1260 N MET A 78 16.318 1.952 -3.185 1.00 22.02 N ATOM 1261 CA MET A 78 15.384 2.722 -2.372 1.00 52.11 C ATOM 1262 C MET A 78 14.215 3.223 -3.215 1.00 44.40 C ATOM 1263 O MET A 78 13.054 2.951 -2.910 1.00 2.13 O ATOM 1264 CB MET A 78 16.099 3.905 -1.717 1.00 24.23 C ATOM 1265 CG MET A 78 16.534 3.635 -0.285 1.00 75.22 C ATOM 1266 SD MET A 78 17.072 5.128 0.571 1.00 71.23 S ATOM 1267 CE MET A 78 18.811 5.155 0.143 1.00 20.41 C ATOM 0 H MET A 78 17.226 2.397 -3.320 1.00 22.02 H new ATOM 0 HA MET A 78 14.994 2.067 -1.593 1.00 52.11 H new ATOM 0 HB2 MET A 78 16.975 4.164 -2.312 1.00 24.23 H new ATOM 0 HB3 MET A 78 15.438 4.771 -1.730 1.00 24.23 H new ATOM 0 HG2 MET A 78 15.706 3.185 0.263 1.00 75.22 H new ATOM 0 HG3 MET A 78 17.347 2.909 -0.287 1.00 75.22 H new ATOM 0 HE1 MET A 78 19.348 5.795 0.843 1.00 20.41 H new ATOM 0 HE2 MET A 78 19.214 4.144 0.194 1.00 20.41 H new ATOM 0 HE3 MET A 78 18.931 5.543 -0.869 1.00 20.41 H new ATOM 1277 N LYS A 79 14.530 3.958 -4.277 1.00 31.31 N ATOM 1278 CA LYS A 79 13.507 4.497 -5.165 1.00 71.31 C ATOM 1279 C LYS A 79 12.602 3.387 -5.689 1.00 75.42 C ATOM 1280 O LYS A 79 11.394 3.577 -5.840 1.00 23.01 O ATOM 1281 CB LYS A 79 14.157 5.235 -6.337 1.00 64.12 C ATOM 1282 CG LYS A 79 15.044 6.392 -5.910 1.00 54.45 C ATOM 1283 CD LYS A 79 16.172 6.626 -6.902 1.00 35.15 C ATOM 1284 CE LYS A 79 16.881 7.945 -6.637 1.00 64.13 C ATOM 1285 NZ LYS A 79 17.599 8.440 -7.845 1.00 14.33 N ATOM 0 H LYS A 79 15.486 4.194 -4.543 1.00 31.31 H new ATOM 0 HA LYS A 79 12.899 5.199 -4.594 1.00 71.31 H new ATOM 0 HB2 LYS A 79 14.750 4.528 -6.917 1.00 64.12 H new ATOM 0 HB3 LYS A 79 13.375 5.612 -6.997 1.00 64.12 H new ATOM 0 HG2 LYS A 79 14.444 7.298 -5.820 1.00 54.45 H new ATOM 0 HG3 LYS A 79 15.462 6.187 -4.924 1.00 54.45 H new ATOM 0 HD2 LYS A 79 16.889 5.807 -6.840 1.00 35.15 H new ATOM 0 HD3 LYS A 79 15.773 6.623 -7.916 1.00 35.15 H new ATOM 0 HE2 LYS A 79 16.154 8.690 -6.316 1.00 64.13 H new ATOM 0 HE3 LYS A 79 17.590 7.818 -5.819 1.00 64.13 H new ATOM 0 HZ1 LYS A 79 18.070 9.341 -7.624 1.00 14.33 H new ATOM 0 HZ2 LYS A 79 18.311 7.740 -8.137 1.00 14.33 H new ATOM 0 HZ3 LYS A 79 16.919 8.585 -8.618 1.00 14.33 H new ATOM 1299 N ILE A 80 13.192 2.228 -5.964 1.00 13.33 N ATOM 1300 CA ILE A 80 12.437 1.088 -6.468 1.00 61.23 C ATOM 1301 C ILE A 80 11.459 0.569 -5.420 1.00 73.20 C ATOM 1302 O ILE A 80 10.266 0.424 -5.688 1.00 73.41 O ATOM 1303 CB ILE A 80 13.371 -0.060 -6.896 1.00 34.22 C ATOM 1304 CG1 ILE A 80 14.316 0.408 -8.004 1.00 73.13 C ATOM 1305 CG2 ILE A 80 12.557 -1.260 -7.357 1.00 63.24 C ATOM 1306 CD1 ILE A 80 15.565 -0.435 -8.129 1.00 25.23 C ATOM 0 H ILE A 80 14.190 2.054 -5.846 1.00 13.33 H new ATOM 0 HA ILE A 80 11.881 1.437 -7.338 1.00 61.23 H new ATOM 0 HB ILE A 80 13.971 -0.361 -6.037 1.00 34.22 H new ATOM 0 HG12 ILE A 80 13.783 0.396 -8.954 1.00 73.13 H new ATOM 0 HG13 ILE A 80 14.603 1.442 -7.813 1.00 73.13 H new ATOM 0 HG21 ILE A 80 13.230 -2.063 -7.656 1.00 63.24 H new ATOM 0 HG22 ILE A 80 11.922 -1.604 -6.541 1.00 63.24 H new ATOM 0 HG23 ILE A 80 11.935 -0.973 -8.205 1.00 63.24 H new ATOM 0 HD11 ILE A 80 16.188 -0.045 -8.934 1.00 25.23 H new ATOM 0 HD12 ILE A 80 16.121 -0.403 -7.192 1.00 25.23 H new ATOM 0 HD13 ILE A 80 15.288 -1.465 -8.351 1.00 25.23 H new ATOM 1318 N ILE A 81 11.971 0.293 -4.226 1.00 23.23 N ATOM 1319 CA ILE A 81 11.142 -0.207 -3.136 1.00 60.01 C ATOM 1320 C ILE A 81 10.067 0.805 -2.754 1.00 43.23 C ATOM 1321 O ILE A 81 8.947 0.434 -2.404 1.00 52.13 O ATOM 1322 CB ILE A 81 11.987 -0.536 -1.891 1.00 72.31 C ATOM 1323 CG1 ILE A 81 12.939 -1.697 -2.186 1.00 51.04 C ATOM 1324 CG2 ILE A 81 11.085 -0.871 -0.712 1.00 51.44 C ATOM 1325 CD1 ILE A 81 13.988 -1.905 -1.117 1.00 3.31 C ATOM 0 H ILE A 81 12.956 0.407 -3.988 1.00 23.23 H new ATOM 0 HA ILE A 81 10.667 -1.120 -3.494 1.00 60.01 H new ATOM 0 HB ILE A 81 12.581 0.340 -1.632 1.00 72.31 H new ATOM 0 HG12 ILE A 81 12.359 -2.613 -2.297 1.00 51.04 H new ATOM 0 HG13 ILE A 81 13.435 -1.516 -3.140 1.00 51.04 H new ATOM 0 HG21 ILE A 81 11.697 -1.101 0.160 1.00 51.44 H new ATOM 0 HG22 ILE A 81 10.444 -0.018 -0.491 1.00 51.44 H new ATOM 0 HG23 ILE A 81 10.467 -1.734 -0.960 1.00 51.44 H new ATOM 0 HD11 ILE A 81 14.627 -2.744 -1.393 1.00 3.31 H new ATOM 0 HD12 ILE A 81 14.594 -1.004 -1.021 1.00 3.31 H new ATOM 0 HD13 ILE A 81 13.501 -2.117 -0.165 1.00 3.31 H new ATOM 1337 N ASP A 82 10.416 2.085 -2.826 1.00 11.03 N ATOM 1338 CA ASP A 82 9.480 3.152 -2.490 1.00 43.24 C ATOM 1339 C ASP A 82 8.376 3.256 -3.538 1.00 45.22 C ATOM 1340 O ASP A 82 7.195 3.332 -3.203 1.00 20.43 O ATOM 1341 CB ASP A 82 10.217 4.487 -2.374 1.00 1.45 C ATOM 1342 CG ASP A 82 9.452 5.500 -1.544 1.00 24.12 C ATOM 1343 OD1 ASP A 82 8.938 5.121 -0.471 1.00 34.23 O ATOM 1344 OD2 ASP A 82 9.369 6.672 -1.967 1.00 24.31 O ATOM 0 H ASP A 82 11.339 2.409 -3.114 1.00 11.03 H new ATOM 0 HA ASP A 82 9.023 2.913 -1.530 1.00 43.24 H new ATOM 0 HB2 ASP A 82 11.197 4.320 -1.926 1.00 1.45 H new ATOM 0 HB3 ASP A 82 10.387 4.893 -3.371 1.00 1.45 H new ATOM 1349 N GLU A 83 8.771 3.261 -4.808 1.00 30.33 N ATOM 1350 CA GLU A 83 7.814 3.358 -5.904 1.00 22.41 C ATOM 1351 C GLU A 83 6.900 2.136 -5.938 1.00 10.34 C ATOM 1352 O GLU A 83 5.678 2.264 -6.017 1.00 31.43 O ATOM 1353 CB GLU A 83 8.548 3.496 -7.240 1.00 14.44 C ATOM 1354 CG GLU A 83 9.058 4.902 -7.511 1.00 21.44 C ATOM 1355 CD GLU A 83 7.950 5.858 -7.908 1.00 5.12 C ATOM 1356 OE1 GLU A 83 7.130 5.490 -8.773 1.00 75.54 O ATOM 1357 OE2 GLU A 83 7.905 6.976 -7.352 1.00 60.32 O ATOM 0 H GLU A 83 9.746 3.199 -5.103 1.00 30.33 H new ATOM 0 HA GLU A 83 7.201 4.244 -5.740 1.00 22.41 H new ATOM 0 HB2 GLU A 83 9.390 2.804 -7.256 1.00 14.44 H new ATOM 0 HB3 GLU A 83 7.877 3.200 -8.046 1.00 14.44 H new ATOM 0 HG2 GLU A 83 9.558 5.281 -6.620 1.00 21.44 H new ATOM 0 HG3 GLU A 83 9.804 4.867 -8.305 1.00 21.44 H new ATOM 1364 N PHE A 84 7.501 0.953 -5.878 1.00 22.42 N ATOM 1365 CA PHE A 84 6.742 -0.292 -5.903 1.00 64.40 C ATOM 1366 C PHE A 84 5.921 -0.455 -4.627 1.00 41.33 C ATOM 1367 O PHE A 84 5.016 -1.286 -4.559 1.00 73.33 O ATOM 1368 CB PHE A 84 7.685 -1.486 -6.071 1.00 43.33 C ATOM 1369 CG PHE A 84 8.080 -1.742 -7.498 1.00 14.41 C ATOM 1370 CD1 PHE A 84 8.851 -0.824 -8.192 1.00 41.15 C ATOM 1371 CD2 PHE A 84 7.679 -2.900 -8.144 1.00 42.11 C ATOM 1372 CE1 PHE A 84 9.215 -1.057 -9.505 1.00 55.44 C ATOM 1373 CE2 PHE A 84 8.040 -3.138 -9.457 1.00 20.41 C ATOM 1374 CZ PHE A 84 8.810 -2.216 -10.138 1.00 54.20 C ATOM 0 H PHE A 84 8.511 0.830 -5.812 1.00 22.42 H new ATOM 0 HA PHE A 84 6.059 -0.254 -6.752 1.00 64.40 H new ATOM 0 HB2 PHE A 84 8.584 -1.315 -5.479 1.00 43.33 H new ATOM 0 HB3 PHE A 84 7.204 -2.378 -5.670 1.00 43.33 H new ATOM 0 HD1 PHE A 84 9.171 0.084 -7.702 1.00 41.15 H new ATOM 0 HD2 PHE A 84 7.078 -3.625 -7.616 1.00 42.11 H new ATOM 0 HE1 PHE A 84 9.816 -0.333 -10.036 1.00 55.44 H new ATOM 0 HE2 PHE A 84 7.720 -4.044 -9.950 1.00 20.41 H new ATOM 0 HZ PHE A 84 9.095 -2.401 -11.163 1.00 54.20 H new ATOM 1384 N LYS A 85 6.244 0.346 -3.617 1.00 61.51 N ATOM 1385 CA LYS A 85 5.538 0.293 -2.343 1.00 14.13 C ATOM 1386 C LYS A 85 5.671 -1.085 -1.703 1.00 5.03 C ATOM 1387 O LYS A 85 4.673 -1.733 -1.389 1.00 72.42 O ATOM 1388 CB LYS A 85 4.059 0.633 -2.542 1.00 12.34 C ATOM 1389 CG LYS A 85 3.828 1.982 -3.200 1.00 43.33 C ATOM 1390 CD LYS A 85 3.701 3.092 -2.170 1.00 23.32 C ATOM 1391 CE LYS A 85 3.185 4.378 -2.796 1.00 44.13 C ATOM 1392 NZ LYS A 85 1.731 4.300 -3.105 1.00 15.34 N ATOM 0 H LYS A 85 6.991 1.040 -3.657 1.00 61.51 H new ATOM 0 HA LYS A 85 5.988 1.029 -1.676 1.00 14.13 H new ATOM 0 HB2 LYS A 85 3.595 -0.143 -3.151 1.00 12.34 H new ATOM 0 HB3 LYS A 85 3.558 0.620 -1.574 1.00 12.34 H new ATOM 0 HG2 LYS A 85 4.654 2.204 -3.875 1.00 43.33 H new ATOM 0 HG3 LYS A 85 2.923 1.942 -3.806 1.00 43.33 H new ATOM 0 HD2 LYS A 85 3.025 2.776 -1.375 1.00 23.32 H new ATOM 0 HD3 LYS A 85 4.672 3.275 -1.709 1.00 23.32 H new ATOM 0 HE2 LYS A 85 3.368 5.211 -2.117 1.00 44.13 H new ATOM 0 HE3 LYS A 85 3.740 4.585 -3.711 1.00 44.13 H new ATOM 0 HZ1 LYS A 85 1.385 5.240 -3.386 1.00 15.34 H new ATOM 0 HZ2 LYS A 85 1.577 3.627 -3.883 1.00 15.34 H new ATOM 0 HZ3 LYS A 85 1.214 3.979 -2.262 1.00 15.34 H new ATOM 1406 N ILE A 86 6.910 -1.525 -1.511 1.00 23.25 N ATOM 1407 CA ILE A 86 7.173 -2.825 -0.905 1.00 44.13 C ATOM 1408 C ILE A 86 7.248 -2.719 0.614 1.00 12.21 C ATOM 1409 O ILE A 86 8.006 -1.923 1.169 1.00 32.23 O ATOM 1410 CB ILE A 86 8.486 -3.435 -1.431 1.00 70.30 C ATOM 1411 CG1 ILE A 86 8.529 -3.369 -2.959 1.00 51.20 C ATOM 1412 CG2 ILE A 86 8.630 -4.873 -0.954 1.00 1.33 C ATOM 1413 CD1 ILE A 86 9.839 -3.844 -3.548 1.00 12.50 C ATOM 0 H ILE A 86 7.747 -1.001 -1.766 1.00 23.25 H new ATOM 0 HA ILE A 86 6.343 -3.475 -1.180 1.00 44.13 H new ATOM 0 HB ILE A 86 9.321 -2.856 -1.037 1.00 70.30 H new ATOM 0 HG12 ILE A 86 7.718 -3.974 -3.364 1.00 51.20 H new ATOM 0 HG13 ILE A 86 8.349 -2.342 -3.275 1.00 51.20 H new ATOM 0 HG21 ILE A 86 9.562 -5.291 -1.334 1.00 1.33 H new ATOM 0 HG22 ILE A 86 8.639 -4.896 0.136 1.00 1.33 H new ATOM 0 HG23 ILE A 86 7.791 -5.464 -1.322 1.00 1.33 H new ATOM 0 HD11 ILE A 86 9.798 -3.769 -4.635 1.00 12.50 H new ATOM 0 HD12 ILE A 86 10.653 -3.224 -3.172 1.00 12.50 H new ATOM 0 HD13 ILE A 86 10.012 -4.882 -3.262 1.00 12.50 H new ATOM 1425 N PRO A 87 6.444 -3.541 1.305 1.00 51.14 N ATOM 1426 CA PRO A 87 6.402 -3.561 2.770 1.00 52.52 C ATOM 1427 C PRO A 87 7.676 -4.136 3.379 1.00 50.23 C ATOM 1428 O PRO A 87 8.465 -4.787 2.694 1.00 45.15 O ATOM 1429 CB PRO A 87 5.206 -4.465 3.078 1.00 21.12 C ATOM 1430 CG PRO A 87 5.079 -5.346 1.884 1.00 64.04 C ATOM 1431 CD PRO A 87 5.514 -4.515 0.708 1.00 25.13 C ATOM 0 HA PRO A 87 6.315 -2.559 3.189 1.00 52.52 H new ATOM 0 HB2 PRO A 87 5.373 -5.048 3.984 1.00 21.12 H new ATOM 0 HB3 PRO A 87 4.299 -3.881 3.237 1.00 21.12 H new ATOM 0 HG2 PRO A 87 5.703 -6.234 1.986 1.00 64.04 H new ATOM 0 HG3 PRO A 87 4.052 -5.690 1.760 1.00 64.04 H new ATOM 0 HD2 PRO A 87 6.002 -5.122 -0.054 1.00 25.13 H new ATOM 0 HD3 PRO A 87 4.668 -4.022 0.229 1.00 25.13 H new ATOM 1439 N THR A 88 7.871 -3.892 4.671 1.00 23.10 N ATOM 1440 CA THR A 88 9.050 -4.385 5.372 1.00 30.31 C ATOM 1441 C THR A 88 8.754 -5.697 6.090 1.00 31.01 C ATOM 1442 O THR A 88 7.605 -6.134 6.157 1.00 30.22 O ATOM 1443 CB THR A 88 9.565 -3.357 6.397 1.00 62.20 C ATOM 1444 OG1 THR A 88 9.012 -2.067 6.117 1.00 41.55 O ATOM 1445 CG2 THR A 88 11.084 -3.281 6.370 1.00 42.54 C ATOM 0 H THR A 88 7.228 -3.356 5.253 1.00 23.10 H new ATOM 0 HA THR A 88 9.819 -4.552 4.618 1.00 30.31 H new ATOM 0 HB THR A 88 9.251 -3.678 7.390 1.00 62.20 H new ATOM 0 HG1 THR A 88 9.343 -1.420 6.774 1.00 41.55 H new ATOM 0 HG21 THR A 88 11.425 -2.549 7.102 1.00 42.54 H new ATOM 0 HG22 THR A 88 11.502 -4.258 6.613 1.00 42.54 H new ATOM 0 HG23 THR A 88 11.416 -2.982 5.376 1.00 42.54 H new ATOM 1453 N VAL A 89 9.798 -6.321 6.627 1.00 74.32 N ATOM 1454 CA VAL A 89 9.649 -7.583 7.342 1.00 32.10 C ATOM 1455 C VAL A 89 8.562 -7.486 8.407 1.00 25.13 C ATOM 1456 O VAL A 89 7.631 -8.289 8.432 1.00 73.42 O ATOM 1457 CB VAL A 89 10.970 -8.009 8.009 1.00 20.31 C ATOM 1458 CG1 VAL A 89 10.766 -9.263 8.847 1.00 54.54 C ATOM 1459 CG2 VAL A 89 12.049 -8.229 6.960 1.00 63.40 C ATOM 0 H VAL A 89 10.756 -5.973 6.580 1.00 74.32 H new ATOM 0 HA VAL A 89 9.365 -8.334 6.604 1.00 32.10 H new ATOM 0 HB VAL A 89 11.297 -7.208 8.672 1.00 20.31 H new ATOM 0 HG11 VAL A 89 11.710 -9.549 9.310 1.00 54.54 H new ATOM 0 HG12 VAL A 89 10.026 -9.066 9.623 1.00 54.54 H new ATOM 0 HG13 VAL A 89 10.415 -10.074 8.209 1.00 54.54 H new ATOM 0 HG21 VAL A 89 12.976 -8.530 7.449 1.00 63.40 H new ATOM 0 HG22 VAL A 89 11.732 -9.012 6.271 1.00 63.40 H new ATOM 0 HG23 VAL A 89 12.214 -7.304 6.408 1.00 63.40 H new ATOM 1469 N GLU A 90 8.689 -6.497 9.286 1.00 44.40 N ATOM 1470 CA GLU A 90 7.718 -6.295 10.354 1.00 33.33 C ATOM 1471 C GLU A 90 6.296 -6.275 9.800 1.00 41.51 C ATOM 1472 O GLU A 90 5.403 -6.934 10.331 1.00 60.23 O ATOM 1473 CB GLU A 90 8.006 -4.989 11.097 1.00 43.01 C ATOM 1474 CG GLU A 90 9.196 -5.074 12.039 1.00 73.24 C ATOM 1475 CD GLU A 90 9.114 -4.072 13.173 1.00 3.25 C ATOM 1476 OE1 GLU A 90 7.986 -3.729 13.584 1.00 73.35 O ATOM 1477 OE2 GLU A 90 10.180 -3.630 13.652 1.00 62.13 O ATOM 0 H GLU A 90 9.455 -5.823 9.279 1.00 44.40 H new ATOM 0 HA GLU A 90 7.806 -7.128 11.052 1.00 33.33 H new ATOM 0 HB2 GLU A 90 8.186 -4.198 10.368 1.00 43.01 H new ATOM 0 HB3 GLU A 90 7.122 -4.702 11.667 1.00 43.01 H new ATOM 0 HG2 GLU A 90 9.256 -6.081 12.452 1.00 73.24 H new ATOM 0 HG3 GLU A 90 10.114 -4.905 11.475 1.00 73.24 H new ATOM 1484 N GLN A 91 6.096 -5.512 8.730 1.00 15.11 N ATOM 1485 CA GLN A 91 4.783 -5.404 8.105 1.00 72.03 C ATOM 1486 C GLN A 91 4.327 -6.754 7.560 1.00 51.42 C ATOM 1487 O GLN A 91 3.163 -7.129 7.699 1.00 12.32 O ATOM 1488 CB GLN A 91 4.815 -4.370 6.978 1.00 72.12 C ATOM 1489 CG GLN A 91 5.515 -3.076 7.359 1.00 12.23 C ATOM 1490 CD GLN A 91 5.046 -2.530 8.694 1.00 63.41 C ATOM 1491 OE1 GLN A 91 3.872 -2.644 9.047 1.00 70.45 O ATOM 1492 NE2 GLN A 91 5.964 -1.933 9.445 1.00 63.30 N ATOM 0 H GLN A 91 6.825 -4.960 8.278 1.00 15.11 H new ATOM 0 HA GLN A 91 4.072 -5.081 8.865 1.00 72.03 H new ATOM 0 HB2 GLN A 91 5.317 -4.803 6.113 1.00 72.12 H new ATOM 0 HB3 GLN A 91 3.793 -4.144 6.674 1.00 72.12 H new ATOM 0 HG2 GLN A 91 6.591 -3.247 7.398 1.00 12.23 H new ATOM 0 HG3 GLN A 91 5.339 -2.330 6.584 1.00 12.23 H new ATOM 0 HE21 GLN A 91 6.926 -1.861 9.113 1.00 63.30 H new ATOM 0 HE22 GLN A 91 5.707 -1.547 10.354 1.00 63.30 H new ATOM 1501 N TRP A 92 5.251 -7.478 6.939 1.00 11.21 N ATOM 1502 CA TRP A 92 4.943 -8.786 6.373 1.00 62.13 C ATOM 1503 C TRP A 92 4.578 -9.781 7.468 1.00 31.54 C ATOM 1504 O TRP A 92 3.664 -10.591 7.307 1.00 44.13 O ATOM 1505 CB TRP A 92 6.134 -9.309 5.568 1.00 60.13 C ATOM 1506 CG TRP A 92 5.850 -10.596 4.854 1.00 34.24 C ATOM 1507 CD1 TRP A 92 4.874 -10.820 3.926 1.00 74.23 C ATOM 1508 CD2 TRP A 92 6.547 -11.836 5.013 1.00 20.45 C ATOM 1509 NE1 TRP A 92 4.922 -12.125 3.498 1.00 63.11 N ATOM 1510 CE2 TRP A 92 5.941 -12.769 4.149 1.00 33.14 C ATOM 1511 CE3 TRP A 92 7.626 -12.249 5.800 1.00 72.30 C ATOM 1512 CZ2 TRP A 92 6.378 -14.088 4.053 1.00 52.52 C ATOM 1513 CZ3 TRP A 92 8.058 -13.558 5.703 1.00 22.22 C ATOM 1514 CH2 TRP A 92 7.436 -14.465 4.834 1.00 12.55 C ATOM 0 H TRP A 92 6.219 -7.182 6.815 1.00 11.21 H new ATOM 0 HA TRP A 92 4.085 -8.674 5.710 1.00 62.13 H new ATOM 0 HB2 TRP A 92 6.429 -8.555 4.839 1.00 60.13 H new ATOM 0 HB3 TRP A 92 6.981 -9.453 6.238 1.00 60.13 H new ATOM 0 HD1 TRP A 92 4.168 -10.080 3.579 1.00 74.23 H new ATOM 0 HE1 TRP A 92 4.300 -12.546 2.808 1.00 63.11 H new ATOM 0 HE3 TRP A 92 8.113 -11.558 6.472 1.00 72.30 H new ATOM 0 HZ2 TRP A 92 5.898 -14.789 3.385 1.00 52.52 H new ATOM 0 HZ3 TRP A 92 8.890 -13.888 6.308 1.00 22.22 H new ATOM 0 HH2 TRP A 92 7.799 -15.481 4.780 1.00 12.55 H new ATOM 1525 N LYS A 93 5.296 -9.717 8.584 1.00 5.41 N ATOM 1526 CA LYS A 93 5.047 -10.611 9.708 1.00 24.22 C ATOM 1527 C LYS A 93 3.668 -10.360 10.308 1.00 34.01 C ATOM 1528 O LYS A 93 2.892 -11.293 10.516 1.00 55.10 O ATOM 1529 CB LYS A 93 6.123 -10.427 10.781 1.00 31.03 C ATOM 1530 CG LYS A 93 7.539 -10.593 10.258 1.00 70.51 C ATOM 1531 CD LYS A 93 8.075 -11.989 10.533 1.00 52.51 C ATOM 1532 CE LYS A 93 7.825 -12.923 9.359 1.00 33.02 C ATOM 1533 NZ LYS A 93 6.936 -14.058 9.733 1.00 14.42 N ATOM 0 H LYS A 93 6.056 -9.054 8.734 1.00 5.41 H new ATOM 0 HA LYS A 93 5.082 -11.636 9.339 1.00 24.22 H new ATOM 0 HB2 LYS A 93 6.021 -9.434 11.219 1.00 31.03 H new ATOM 0 HB3 LYS A 93 5.953 -11.148 11.581 1.00 31.03 H new ATOM 0 HG2 LYS A 93 7.557 -10.400 9.185 1.00 70.51 H new ATOM 0 HG3 LYS A 93 8.190 -9.854 10.725 1.00 70.51 H new ATOM 0 HD2 LYS A 93 9.145 -11.936 10.736 1.00 52.51 H new ATOM 0 HD3 LYS A 93 7.601 -12.392 11.428 1.00 52.51 H new ATOM 0 HE2 LYS A 93 7.374 -12.363 8.539 1.00 33.02 H new ATOM 0 HE3 LYS A 93 8.776 -13.311 8.995 1.00 33.02 H new ATOM 0 HZ1 LYS A 93 6.790 -14.672 8.906 1.00 14.42 H new ATOM 0 HZ2 LYS A 93 7.377 -14.607 10.498 1.00 14.42 H new ATOM 0 HZ3 LYS A 93 6.019 -13.689 10.056 1.00 14.42 H new ATOM 1547 N ASP A 94 3.368 -9.095 10.583 1.00 63.24 N ATOM 1548 CA ASP A 94 2.081 -8.721 11.156 1.00 33.31 C ATOM 1549 C ASP A 94 0.941 -9.059 10.200 1.00 62.12 C ATOM 1550 O ASP A 94 -0.133 -9.484 10.625 1.00 4.12 O ATOM 1551 CB ASP A 94 2.060 -7.228 11.487 1.00 71.13 C ATOM 1552 CG ASP A 94 0.896 -6.849 12.381 1.00 31.41 C ATOM 1553 OD1 ASP A 94 -0.217 -7.370 12.158 1.00 1.13 O ATOM 1554 OD2 ASP A 94 1.097 -6.032 13.304 1.00 45.34 O ATOM 0 H ASP A 94 4.000 -8.311 10.418 1.00 63.24 H new ATOM 0 HA ASP A 94 1.941 -9.291 12.075 1.00 33.31 H new ATOM 0 HB2 ASP A 94 2.995 -6.954 11.977 1.00 71.13 H new ATOM 0 HB3 ASP A 94 2.005 -6.655 10.562 1.00 71.13 H new ATOM 1559 N GLN A 95 1.183 -8.866 8.907 1.00 23.22 N ATOM 1560 CA GLN A 95 0.176 -9.149 7.891 1.00 2.14 C ATOM 1561 C GLN A 95 -0.172 -10.634 7.868 1.00 3.42 C ATOM 1562 O GLN A 95 -1.342 -11.010 7.938 1.00 54.45 O ATOM 1563 CB GLN A 95 0.673 -8.708 6.514 1.00 44.14 C ATOM 1564 CG GLN A 95 0.619 -7.204 6.300 1.00 53.12 C ATOM 1565 CD GLN A 95 1.695 -6.709 5.354 1.00 25.33 C ATOM 1566 OE1 GLN A 95 2.189 -7.458 4.511 1.00 24.51 O ATOM 1567 NE2 GLN A 95 2.066 -5.441 5.490 1.00 73.24 N ATOM 0 H GLN A 95 2.067 -8.515 8.539 1.00 23.22 H new ATOM 0 HA GLN A 95 -0.724 -8.588 8.141 1.00 2.14 H new ATOM 0 HB2 GLN A 95 1.700 -9.049 6.381 1.00 44.14 H new ATOM 0 HB3 GLN A 95 0.073 -9.197 5.747 1.00 44.14 H new ATOM 0 HG2 GLN A 95 -0.360 -6.932 5.905 1.00 53.12 H new ATOM 0 HG3 GLN A 95 0.726 -6.700 7.261 1.00 53.12 H new ATOM 0 HE21 GLN A 95 1.630 -4.856 6.202 1.00 73.24 H new ATOM 0 HE22 GLN A 95 2.787 -5.053 4.882 1.00 73.24 H new ATOM 1576 N THR A 96 0.853 -11.475 7.770 1.00 72.21 N ATOM 1577 CA THR A 96 0.656 -12.919 7.736 1.00 54.21 C ATOM 1578 C THR A 96 -0.015 -13.412 9.013 1.00 60.32 C ATOM 1579 O THR A 96 -0.931 -14.233 8.967 1.00 72.34 O ATOM 1580 CB THR A 96 1.991 -13.664 7.550 1.00 52.03 C ATOM 1581 OG1 THR A 96 3.046 -12.950 8.204 1.00 53.25 O ATOM 1582 CG2 THR A 96 2.319 -13.825 6.073 1.00 5.31 C ATOM 0 H THR A 96 1.828 -11.181 7.713 1.00 72.21 H new ATOM 0 HA THR A 96 0.009 -13.130 6.884 1.00 54.21 H new ATOM 0 HB THR A 96 1.894 -14.655 7.994 1.00 52.03 H new ATOM 0 HG1 THR A 96 3.412 -12.276 7.594 1.00 53.25 H new ATOM 0 HG21 THR A 96 3.266 -14.354 5.966 1.00 5.31 H new ATOM 0 HG22 THR A 96 1.528 -14.395 5.585 1.00 5.31 H new ATOM 0 HG23 THR A 96 2.398 -12.842 5.609 1.00 5.31 H new ATOM 1941 N PHE B -7 11.996 -13.364 10.855 1.00 65.52 N ATOM 1942 CA PHE B -7 13.292 -13.250 10.195 1.00 10.02 C ATOM 1943 C PHE B -7 14.068 -12.048 10.725 1.00 13.51 C ATOM 1944 O PHE B -7 14.952 -12.190 11.570 1.00 45.44 O ATOM 1945 CB PHE B -7 13.108 -13.126 8.681 1.00 1.33 C ATOM 1946 CG PHE B -7 12.552 -14.365 8.041 1.00 33.43 C ATOM 1947 CD1 PHE B -7 11.226 -14.723 8.229 1.00 25.13 C ATOM 1948 CD2 PHE B -7 13.354 -15.173 7.252 1.00 23.41 C ATOM 1949 CE1 PHE B -7 10.711 -15.863 7.642 1.00 62.15 C ATOM 1950 CE2 PHE B -7 12.845 -16.314 6.661 1.00 35.24 C ATOM 1951 CZ PHE B -7 11.522 -16.660 6.857 1.00 32.13 C ATOM 0 H1 PHE B -7 11.445 -14.125 10.409 1.00 65.52 H new ATOM 0 H2 PHE B -7 12.137 -13.583 11.862 1.00 65.52 H new ATOM 0 H3 PHE B -7 11.480 -12.465 10.765 1.00 65.52 H new ATOM 0 HA PHE B -7 13.863 -14.153 10.412 1.00 10.02 H new ATOM 0 HB2 PHE B -7 12.442 -12.289 8.471 1.00 1.33 H new ATOM 0 HB3 PHE B -7 14.069 -12.891 8.224 1.00 1.33 H new ATOM 0 HD1 PHE B -7 10.588 -14.103 8.842 1.00 25.13 H new ATOM 0 HD2 PHE B -7 14.389 -14.908 7.097 1.00 23.41 H new ATOM 0 HE1 PHE B -7 9.676 -16.131 7.797 1.00 62.15 H new ATOM 0 HE2 PHE B -7 13.481 -16.934 6.047 1.00 35.24 H new ATOM 0 HZ PHE B -7 11.122 -17.552 6.397 1.00 32.13 H new ATOM 1961 N ILE B -6 13.730 -10.865 10.222 1.00 14.15 N ATOM 1962 CA ILE B -6 14.393 -9.638 10.645 1.00 44.10 C ATOM 1963 C ILE B -6 15.907 -9.819 10.689 1.00 11.21 C ATOM 1964 O ILE B -6 16.493 -10.105 11.733 1.00 34.24 O ATOM 1965 CB ILE B -6 13.902 -9.180 12.031 1.00 73.40 C ATOM 1966 CG1 ILE B -6 12.389 -8.954 12.010 1.00 13.42 C ATOM 1967 CG2 ILE B -6 14.627 -7.913 12.459 1.00 71.25 C ATOM 1968 CD1 ILE B -6 11.830 -8.486 13.336 1.00 75.32 C ATOM 0 H ILE B -6 13.001 -10.731 9.521 1.00 14.15 H new ATOM 0 HA ILE B -6 14.141 -8.874 9.909 1.00 44.10 H new ATOM 0 HB ILE B -6 14.124 -9.963 12.756 1.00 73.40 H new ATOM 0 HG12 ILE B -6 12.150 -8.217 11.244 1.00 13.42 H new ATOM 0 HG13 ILE B -6 11.895 -9.882 11.724 1.00 13.42 H new ATOM 0 HG21 ILE B -6 14.268 -7.603 13.440 1.00 71.25 H new ATOM 0 HG22 ILE B -6 15.699 -8.106 12.508 1.00 71.25 H new ATOM 0 HG23 ILE B -6 14.434 -7.121 11.735 1.00 71.25 H new ATOM 0 HD11 ILE B -6 10.753 -8.346 13.248 1.00 75.32 H new ATOM 0 HD12 ILE B -6 12.037 -9.233 14.102 1.00 75.32 H new ATOM 0 HD13 ILE B -6 12.297 -7.541 13.615 1.00 75.32 H new ATOM 1980 N PRO B -5 16.557 -9.646 9.529 1.00 64.21 N ATOM 1981 CA PRO B -5 18.012 -9.783 9.409 1.00 60.00 C ATOM 1982 C PRO B -5 18.760 -8.654 10.109 1.00 2.13 C ATOM 1983 O PRO B -5 18.493 -7.477 9.869 1.00 15.42 O ATOM 1984 CB PRO B -5 18.250 -9.726 7.898 1.00 3.00 C ATOM 1985 CG PRO B -5 17.090 -8.962 7.360 1.00 0.11 C ATOM 1986 CD PRO B -5 15.923 -9.304 8.245 1.00 41.41 C ATOM 0 HA PRO B -5 18.375 -10.698 9.877 1.00 60.00 H new ATOM 0 HB2 PRO B -5 19.193 -9.231 7.664 1.00 3.00 H new ATOM 0 HB3 PRO B -5 18.300 -10.726 7.467 1.00 3.00 H new ATOM 0 HG2 PRO B -5 17.289 -7.890 7.373 1.00 0.11 H new ATOM 0 HG3 PRO B -5 16.888 -9.236 6.325 1.00 0.11 H new ATOM 0 HD2 PRO B -5 15.236 -8.464 8.347 1.00 41.41 H new ATOM 0 HD3 PRO B -5 15.347 -10.139 7.846 1.00 41.41 H new ATOM 1994 N SER B -4 19.699 -9.020 10.976 1.00 61.42 N ATOM 1995 CA SER B -4 20.484 -8.038 11.714 1.00 50.44 C ATOM 1996 C SER B -4 21.951 -8.091 11.298 1.00 20.32 C ATOM 1997 O SER B -4 22.783 -7.347 11.819 1.00 75.51 O ATOM 1998 CB SER B -4 20.359 -8.280 13.219 1.00 22.10 C ATOM 1999 OG SER B -4 19.071 -8.767 13.552 1.00 32.01 O ATOM 0 H SER B -4 19.934 -9.990 11.184 1.00 61.42 H new ATOM 0 HA SER B -4 20.094 -7.048 11.480 1.00 50.44 H new ATOM 0 HB2 SER B -4 21.116 -8.996 13.539 1.00 22.10 H new ATOM 0 HB3 SER B -4 20.550 -7.352 13.757 1.00 22.10 H new ATOM 0 HG SER B -4 19.017 -8.915 14.519 1.00 32.01 H new ATOM 2005 N ARG B -3 22.261 -8.977 10.357 1.00 52.21 N ATOM 2006 CA ARG B -3 23.627 -9.130 9.872 1.00 41.53 C ATOM 2007 C ARG B -3 24.219 -7.779 9.481 1.00 44.32 C ATOM 2008 O ARG B -3 23.508 -6.789 9.304 1.00 25.23 O ATOM 2009 CB ARG B -3 23.662 -10.080 8.673 1.00 1.33 C ATOM 2010 CG ARG B -3 24.139 -11.481 9.020 1.00 0.54 C ATOM 2011 CD ARG B -3 23.262 -12.119 10.086 1.00 62.51 C ATOM 2012 NE ARG B -3 23.615 -13.517 10.320 1.00 64.13 N ATOM 2013 CZ ARG B -3 22.929 -14.325 11.120 1.00 55.12 C ATOM 2014 NH1 ARG B -3 21.857 -13.876 11.759 1.00 21.11 N ATOM 2015 NH2 ARG B -3 23.313 -15.585 11.281 1.00 13.44 N ATOM 0 H ARG B -3 21.584 -9.600 9.915 1.00 52.21 H new ATOM 0 HA ARG B -3 24.227 -9.551 10.678 1.00 41.53 H new ATOM 0 HB2 ARG B -3 22.664 -10.142 8.240 1.00 1.33 H new ATOM 0 HB3 ARG B -3 24.316 -9.662 7.908 1.00 1.33 H new ATOM 0 HG2 ARG B -3 24.133 -12.101 8.124 1.00 0.54 H new ATOM 0 HG3 ARG B -3 25.170 -11.439 9.372 1.00 0.54 H new ATOM 0 HD2 ARG B -3 23.358 -11.560 11.017 1.00 62.51 H new ATOM 0 HD3 ARG B -3 22.217 -12.055 9.782 1.00 62.51 H new ATOM 0 HE ARG B -3 24.434 -13.893 9.842 1.00 64.13 H new ATOM 0 HH11 ARG B -3 21.558 -12.909 11.636 1.00 21.11 H new ATOM 0 HH12 ARG B -3 21.331 -14.498 12.373 1.00 21.11 H new ATOM 0 HH21 ARG B -3 24.136 -15.934 10.790 1.00 13.44 H new ATOM 0 HH22 ARG B -3 22.785 -16.204 11.896 1.00 13.44 H new ATOM 2029 N PRO B -2 25.553 -7.735 9.343 1.00 51.34 N ATOM 2030 CA PRO B -2 26.270 -6.511 8.971 1.00 22.44 C ATOM 2031 C PRO B -2 26.009 -6.102 7.526 1.00 53.10 C ATOM 2032 O PRO B -2 26.277 -4.967 7.134 1.00 3.33 O ATOM 2033 CB PRO B -2 27.741 -6.891 9.162 1.00 51.11 C ATOM 2034 CG PRO B -2 27.774 -8.372 9.001 1.00 51.42 C ATOM 2035 CD PRO B -2 26.463 -8.876 9.538 1.00 51.15 C ATOM 0 HA PRO B -2 25.955 -5.656 9.569 1.00 22.44 H new ATOM 0 HB2 PRO B -2 28.376 -6.399 8.425 1.00 51.11 H new ATOM 0 HB3 PRO B -2 28.103 -6.592 10.146 1.00 51.11 H new ATOM 0 HG2 PRO B -2 27.899 -8.648 7.954 1.00 51.42 H new ATOM 0 HG3 PRO B -2 28.612 -8.805 9.547 1.00 51.42 H new ATOM 0 HD2 PRO B -2 26.121 -9.759 8.999 1.00 51.15 H new ATOM 0 HD3 PRO B -2 26.540 -9.154 10.589 1.00 51.15 H new ATOM 2043 N ALA B -1 25.483 -7.034 6.738 1.00 51.22 N ATOM 2044 CA ALA B -1 25.183 -6.768 5.336 1.00 32.53 C ATOM 2045 C ALA B -1 26.455 -6.475 4.548 1.00 20.15 C ATOM 2046 O ALA B -1 26.839 -5.322 4.350 1.00 70.33 O ATOM 2047 CB ALA B -1 24.206 -5.608 5.216 1.00 31.12 C ATOM 0 H ALA B -1 25.256 -7.979 7.046 1.00 51.22 H new ATOM 0 HA ALA B -1 24.723 -7.661 4.913 1.00 32.53 H new ATOM 0 HB1 ALA B -1 23.991 -5.421 4.164 1.00 31.12 H new ATOM 0 HB2 ALA B -1 23.281 -5.856 5.737 1.00 31.12 H new ATOM 0 HB3 ALA B -1 24.645 -4.715 5.661 1.00 31.12 H new ATOM 2053 N PRO B 0 27.126 -7.541 4.089 1.00 65.42 N ATOM 2054 CA PRO B 0 28.366 -7.423 3.315 1.00 21.14 C ATOM 2055 C PRO B 0 28.128 -6.850 1.923 1.00 50.14 C ATOM 2056 O PRO B 0 27.165 -7.213 1.247 1.00 42.15 O ATOM 2057 CB PRO B 0 28.865 -8.867 3.221 1.00 34.32 C ATOM 2058 CG PRO B 0 27.638 -9.701 3.362 1.00 62.31 C ATOM 2059 CD PRO B 0 26.727 -8.945 4.288 1.00 11.42 C ATOM 0 HA PRO B 0 29.076 -6.742 3.785 1.00 21.14 H new ATOM 0 HB2 PRO B 0 29.363 -9.053 2.269 1.00 34.32 H new ATOM 0 HB3 PRO B 0 29.587 -9.089 4.007 1.00 34.32 H new ATOM 0 HG2 PRO B 0 27.163 -9.863 2.394 1.00 62.31 H new ATOM 0 HG3 PRO B 0 27.879 -10.684 3.768 1.00 62.31 H new ATOM 0 HD2 PRO B 0 25.678 -9.104 4.038 1.00 11.42 H new ATOM 0 HD3 PRO B 0 26.858 -9.257 5.324 1.00 11.42 H new ATOM 2067 N LYS B 1 29.011 -5.952 1.498 1.00 21.43 N ATOM 2068 CA LYS B 1 28.899 -5.329 0.185 1.00 72.42 C ATOM 2069 C LYS B 1 29.230 -6.327 -0.921 1.00 13.13 C ATOM 2070 O LYS B 1 29.868 -7.355 -0.692 1.00 13.32 O ATOM 2071 CB LYS B 1 29.831 -4.119 0.090 1.00 31.31 C ATOM 2072 CG LYS B 1 29.193 -2.822 0.556 1.00 73.03 C ATOM 2073 CD LYS B 1 29.427 -2.586 2.038 1.00 4.33 C ATOM 2074 CE LYS B 1 29.366 -1.106 2.383 1.00 1.33 C ATOM 2075 NZ LYS B 1 29.437 -0.875 3.853 1.00 73.31 N ATOM 0 H LYS B 1 29.813 -5.639 2.045 1.00 21.43 H new ATOM 0 HA LYS B 1 27.869 -4.997 0.055 1.00 72.42 H new ATOM 0 HB2 LYS B 1 30.723 -4.310 0.687 1.00 31.31 H new ATOM 0 HB3 LYS B 1 30.158 -4.003 -0.943 1.00 31.31 H new ATOM 0 HG2 LYS B 1 29.602 -1.989 -0.015 1.00 73.03 H new ATOM 0 HG3 LYS B 1 28.122 -2.850 0.356 1.00 73.03 H new ATOM 0 HD2 LYS B 1 28.678 -3.127 2.616 1.00 4.33 H new ATOM 0 HD3 LYS B 1 30.400 -2.987 2.322 1.00 4.33 H new ATOM 0 HE2 LYS B 1 30.189 -0.585 1.893 1.00 1.33 H new ATOM 0 HE3 LYS B 1 28.442 -0.680 1.993 1.00 1.33 H new ATOM 0 HZ1 LYS B 1 29.392 0.146 4.047 1.00 73.31 H new ATOM 0 HZ2 LYS B 1 28.638 -1.351 4.318 1.00 73.31 H new ATOM 0 HZ3 LYS B 1 30.331 -1.259 4.222 1.00 73.31 H new ATOM 2089 N PRO B 2 28.788 -6.018 -2.149 1.00 61.40 N ATOM 2090 CA PRO B 2 29.028 -6.875 -3.315 1.00 13.54 C ATOM 2091 C PRO B 2 30.493 -6.882 -3.737 1.00 31.33 C ATOM 2092 O PRO B 2 31.298 -6.066 -3.288 1.00 14.22 O ATOM 2093 CB PRO B 2 28.160 -6.240 -4.405 1.00 24.32 C ATOM 2094 CG PRO B 2 28.024 -4.813 -3.998 1.00 64.55 C ATOM 2095 CD PRO B 2 28.021 -4.810 -2.495 1.00 3.32 C ATOM 0 HA PRO B 2 28.786 -7.918 -3.112 1.00 13.54 H new ATOM 0 HB2 PRO B 2 28.628 -6.329 -5.385 1.00 24.32 H new ATOM 0 HB3 PRO B 2 27.187 -6.727 -4.470 1.00 24.32 H new ATOM 0 HG2 PRO B 2 28.848 -4.216 -4.388 1.00 64.55 H new ATOM 0 HG3 PRO B 2 27.104 -4.381 -4.391 1.00 64.55 H new ATOM 0 HD2 PRO B 2 28.487 -3.910 -2.094 1.00 3.32 H new ATOM 0 HD3 PRO B 2 27.008 -4.849 -2.095 1.00 3.32 H new ATOM 2103 N PRO B 3 30.850 -7.826 -4.621 1.00 52.40 N ATOM 2104 CA PRO B 3 32.220 -7.961 -5.124 1.00 21.41 C ATOM 2105 C PRO B 3 32.617 -6.811 -6.043 1.00 30.13 C ATOM 2106 O PRO B 3 33.798 -6.495 -6.183 1.00 65.51 O ATOM 2107 CB PRO B 3 32.183 -9.279 -5.902 1.00 24.10 C ATOM 2108 CG PRO B 3 30.758 -9.441 -6.305 1.00 64.51 C ATOM 2109 CD PRO B 3 29.943 -8.832 -5.198 1.00 50.15 C ATOM 0 HA PRO B 3 32.953 -7.946 -4.318 1.00 21.41 H new ATOM 0 HB2 PRO B 3 32.839 -9.244 -6.772 1.00 24.10 H new ATOM 0 HB3 PRO B 3 32.517 -10.113 -5.284 1.00 24.10 H new ATOM 0 HG2 PRO B 3 30.562 -8.942 -7.254 1.00 64.51 H new ATOM 0 HG3 PRO B 3 30.508 -10.493 -6.440 1.00 64.51 H new ATOM 0 HD2 PRO B 3 29.027 -8.378 -5.576 1.00 50.15 H new ATOM 0 HD3 PRO B 3 29.648 -9.577 -4.460 1.00 50.15 H new