USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 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 72 ASN : amide:sc= -0.0417 K(o=-1.7,f=-3.9) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 178:sc= -1.63! (180deg=-1.69!) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.363 K(o=0.44,f=-8.3!) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0.0772 USER MOD Set 3.1: A 8 GLN : amide:sc= 0 X(o=0.6,f=0.31) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.603 K(o=0.6,f=-1.3) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -90:sc= 0.827 USER MOD Single : A 20 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -0.127 (180deg=-2.36!) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= 0.854 (180deg=0.383) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.107 (180deg=-0.447) USER MOD Single : A 44 MET CE :methyl 162:sc= -0.153 (180deg=-0.72) USER MOD Single : A 46 THR OG1 : rot -73:sc= 1.05 USER MOD Single : A 51 GLN : amide:sc= -0.331 K(o=-0.33,f=-1.9!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 76 ASN : amide:sc= -0.0681 X(o=-0.068,f=-0.094) USER MOD Single : A 77 THR OG1 : rot 160:sc= 0 USER MOD Single : A 79 SER OG : rot -23:sc= 0.377 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= -0.0144 (180deg=-0.158) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N ASP A 6 14.401 11.628 -3.207 1.00 0.94 N ATOM 63 CA ASP A 6 13.113 10.954 -3.108 1.00 0.82 C ATOM 64 C ASP A 6 12.031 11.979 -2.756 1.00 0.72 C ATOM 65 O ASP A 6 11.460 11.974 -1.667 1.00 0.76 O ATOM 66 CB ASP A 6 13.185 9.818 -2.063 1.00 0.88 C ATOM 67 CG ASP A 6 13.666 10.312 -0.708 1.00 1.03 C ATOM 68 OD1 ASP A 6 12.822 10.423 0.214 1.00 1.40 O ATOM 69 OD2 ASP A 6 14.878 10.578 -0.549 1.00 1.79 O ATOM 0 HA ASP A 6 12.857 10.501 -4.066 1.00 0.82 H new ATOM 0 HB2 ASP A 6 12.200 9.365 -1.953 1.00 0.88 H new ATOM 0 HB3 ASP A 6 13.856 9.038 -2.423 1.00 0.88 H new ATOM 74 N SER A 7 11.776 12.889 -3.685 1.00 0.68 N ATOM 75 CA SER A 7 10.738 13.890 -3.505 1.00 0.67 C ATOM 76 C SER A 7 9.377 13.221 -3.668 1.00 0.53 C ATOM 77 O SER A 7 9.214 12.387 -4.549 1.00 0.46 O ATOM 78 CB SER A 7 10.918 15.025 -4.516 1.00 0.77 C ATOM 79 OG SER A 7 10.198 16.179 -4.122 1.00 1.33 O ATOM 0 H SER A 7 12.275 12.954 -4.572 1.00 0.68 H new ATOM 0 HA SER A 7 10.806 14.322 -2.507 1.00 0.67 H new ATOM 0 HB2 SER A 7 11.976 15.268 -4.610 1.00 0.77 H new ATOM 0 HB3 SER A 7 10.577 14.698 -5.498 1.00 0.77 H new ATOM 0 HG SER A 7 10.331 16.889 -4.784 1.00 1.33 H new ATOM 85 N GLN A 8 8.412 13.596 -2.827 1.00 0.53 N ATOM 86 CA GLN A 8 7.132 12.875 -2.718 1.00 0.47 C ATOM 87 C GLN A 8 6.483 12.599 -4.079 1.00 0.48 C ATOM 88 O GLN A 8 6.035 11.480 -4.337 1.00 0.50 O ATOM 89 CB GLN A 8 6.157 13.646 -1.828 1.00 0.53 C ATOM 90 CG GLN A 8 6.725 13.997 -0.464 1.00 0.86 C ATOM 91 CD GLN A 8 5.670 14.508 0.495 1.00 1.25 C ATOM 92 OE1 GLN A 8 4.664 15.086 0.083 1.00 1.88 O ATOM 93 NE2 GLN A 8 5.897 14.304 1.782 1.00 1.57 N ATOM 0 H GLN A 8 8.489 14.401 -2.205 1.00 0.53 H new ATOM 0 HA GLN A 8 7.360 11.909 -2.267 1.00 0.47 H new ATOM 0 HB2 GLN A 8 5.862 14.564 -2.337 1.00 0.53 H new ATOM 0 HB3 GLN A 8 5.253 13.052 -1.694 1.00 0.53 H new ATOM 0 HG2 GLN A 8 7.203 13.116 -0.036 1.00 0.86 H new ATOM 0 HG3 GLN A 8 7.500 14.754 -0.582 1.00 0.86 H new ATOM 0 HE21 GLN A 8 6.744 13.820 2.080 1.00 1.57 H new ATOM 0 HE22 GLN A 8 5.225 14.630 2.476 1.00 1.57 H new ATOM 102 N GLU A 9 6.446 13.607 -4.946 1.00 0.54 N ATOM 103 CA GLU A 9 5.837 13.455 -6.265 1.00 0.59 C ATOM 104 C GLU A 9 6.601 12.424 -7.098 1.00 0.51 C ATOM 105 O GLU A 9 6.001 11.586 -7.771 1.00 0.50 O ATOM 106 CB GLU A 9 5.797 14.802 -6.988 1.00 0.73 C ATOM 107 CG GLU A 9 5.183 14.745 -8.378 1.00 1.34 C ATOM 108 CD GLU A 9 5.199 16.091 -9.064 1.00 1.57 C ATOM 109 OE1 GLU A 9 4.112 16.660 -9.289 1.00 1.45 O ATOM 110 OE2 GLU A 9 6.294 16.588 -9.390 1.00 2.17 O ATOM 0 H GLU A 9 6.829 14.534 -4.761 1.00 0.54 H new ATOM 0 HA GLU A 9 4.815 13.098 -6.134 1.00 0.59 H new ATOM 0 HB2 GLU A 9 5.232 15.510 -6.382 1.00 0.73 H new ATOM 0 HB3 GLU A 9 6.813 15.190 -7.067 1.00 0.73 H new ATOM 0 HG2 GLU A 9 5.729 14.023 -8.985 1.00 1.34 H new ATOM 0 HG3 GLU A 9 4.156 14.388 -8.305 1.00 1.34 H new ATOM 117 N LYS A 10 7.926 12.488 -7.042 1.00 0.50 N ATOM 118 CA LYS A 10 8.770 11.540 -7.763 1.00 0.48 C ATOM 119 C LYS A 10 8.674 10.157 -7.118 1.00 0.38 C ATOM 120 O LYS A 10 8.679 9.135 -7.804 1.00 0.38 O ATOM 121 CB LYS A 10 10.225 12.018 -7.773 1.00 0.58 C ATOM 122 CG LYS A 10 11.108 11.251 -8.742 1.00 0.75 C ATOM 123 CD LYS A 10 12.573 11.624 -8.592 1.00 1.63 C ATOM 124 CE LYS A 10 13.420 10.935 -9.649 1.00 2.14 C ATOM 125 NZ LYS A 10 14.874 11.105 -9.403 1.00 2.55 N ATOM 0 H LYS A 10 8.440 13.186 -6.505 1.00 0.50 H new ATOM 0 HA LYS A 10 8.420 11.475 -8.793 1.00 0.48 H new ATOM 0 HB2 LYS A 10 10.250 13.077 -8.031 1.00 0.58 H new ATOM 0 HB3 LYS A 10 10.636 11.926 -6.768 1.00 0.58 H new ATOM 0 HG2 LYS A 10 10.987 10.181 -8.574 1.00 0.75 H new ATOM 0 HG3 LYS A 10 10.785 11.452 -9.764 1.00 0.75 H new ATOM 0 HD2 LYS A 10 12.688 12.705 -8.676 1.00 1.63 H new ATOM 0 HD3 LYS A 10 12.924 11.343 -7.599 1.00 1.63 H new ATOM 0 HE2 LYS A 10 13.179 9.872 -9.669 1.00 2.14 H new ATOM 0 HE3 LYS A 10 13.170 11.337 -10.631 1.00 2.14 H new ATOM 0 HZ1 LYS A 10 15.411 10.619 -10.149 1.00 2.55 H new ATOM 0 HZ2 LYS A 10 15.111 12.118 -9.410 1.00 2.55 H new ATOM 0 HZ3 LYS A 10 15.119 10.698 -8.478 1.00 2.55 H new ATOM 139 N VAL A 11 8.583 10.146 -5.792 1.00 0.34 N ATOM 140 CA VAL A 11 8.438 8.914 -5.025 1.00 0.30 C ATOM 141 C VAL A 11 7.216 8.131 -5.483 1.00 0.27 C ATOM 142 O VAL A 11 7.322 6.953 -5.817 1.00 0.31 O ATOM 143 CB VAL A 11 8.334 9.209 -3.508 1.00 0.31 C ATOM 144 CG1 VAL A 11 7.905 7.981 -2.726 1.00 0.39 C ATOM 145 CG2 VAL A 11 9.661 9.709 -2.981 1.00 0.37 C ATOM 0 H VAL A 11 8.608 10.990 -5.220 1.00 0.34 H new ATOM 0 HA VAL A 11 9.329 8.312 -5.201 1.00 0.30 H new ATOM 0 HB VAL A 11 7.573 9.978 -3.375 1.00 0.31 H new ATOM 0 HG11 VAL A 11 7.843 8.228 -1.666 1.00 0.39 H new ATOM 0 HG12 VAL A 11 6.929 7.648 -3.078 1.00 0.39 H new ATOM 0 HG13 VAL A 11 8.634 7.184 -2.871 1.00 0.39 H new ATOM 0 HG21 VAL A 11 9.575 9.913 -1.914 1.00 0.37 H new ATOM 0 HG22 VAL A 11 10.427 8.951 -3.145 1.00 0.37 H new ATOM 0 HG23 VAL A 11 9.939 10.624 -3.504 1.00 0.37 H new ATOM 149 N ALA A 12 6.067 8.804 -5.529 1.00 0.26 N ATOM 150 CA ALA A 12 4.813 8.173 -5.935 1.00 0.27 C ATOM 151 C ALA A 12 4.950 7.499 -7.296 1.00 0.26 C ATOM 152 O ALA A 12 4.348 6.453 -7.554 1.00 0.31 O ATOM 153 CB ALA A 12 3.696 9.204 -5.965 1.00 0.35 C ATOM 0 H ALA A 12 5.979 9.791 -5.289 1.00 0.26 H new ATOM 0 HA ALA A 12 4.567 7.403 -5.204 1.00 0.27 H new ATOM 0 HB1 ALA A 12 2.766 8.724 -6.269 1.00 0.35 H new ATOM 0 HB2 ALA A 12 3.574 9.637 -4.972 1.00 0.35 H new ATOM 0 HB3 ALA A 12 3.947 9.991 -6.676 1.00 0.35 H new ATOM 159 N ASP A 13 5.759 8.097 -8.157 1.00 0.26 N ATOM 160 CA ASP A 13 6.013 7.548 -9.480 1.00 0.32 C ATOM 161 C ASP A 13 6.853 6.277 -9.387 1.00 0.30 C ATOM 162 O ASP A 13 6.581 5.290 -10.072 1.00 0.42 O ATOM 163 CB ASP A 13 6.727 8.577 -10.356 1.00 0.39 C ATOM 164 CG ASP A 13 7.023 8.051 -11.747 1.00 0.59 C ATOM 165 OD1 ASP A 13 6.170 8.227 -12.643 1.00 0.86 O ATOM 166 OD2 ASP A 13 8.115 7.477 -11.957 1.00 0.67 O ATOM 0 H ASP A 13 6.253 8.968 -7.962 1.00 0.26 H new ATOM 0 HA ASP A 13 5.053 7.300 -9.932 1.00 0.32 H new ATOM 0 HB2 ASP A 13 6.111 9.473 -10.433 1.00 0.39 H new ATOM 0 HB3 ASP A 13 7.660 8.872 -9.877 1.00 0.39 H new ATOM 171 N GLU A 14 7.858 6.296 -8.518 1.00 0.25 N ATOM 172 CA GLU A 14 8.786 5.182 -8.418 1.00 0.35 C ATOM 173 C GLU A 14 8.141 3.972 -7.748 1.00 0.28 C ATOM 174 O GLU A 14 8.331 2.849 -8.208 1.00 0.32 O ATOM 175 CB GLU A 14 10.063 5.575 -7.668 1.00 0.53 C ATOM 176 CG GLU A 14 11.157 4.517 -7.777 1.00 1.18 C ATOM 177 CD GLU A 14 12.406 4.847 -6.987 1.00 1.35 C ATOM 178 OE1 GLU A 14 12.925 5.971 -7.124 1.00 1.53 O ATOM 179 OE2 GLU A 14 12.905 3.962 -6.256 1.00 2.05 O ATOM 0 H GLU A 14 8.048 7.067 -7.878 1.00 0.25 H new ATOM 0 HA GLU A 14 9.056 4.909 -9.438 1.00 0.35 H new ATOM 0 HB2 GLU A 14 10.436 6.520 -8.063 1.00 0.53 H new ATOM 0 HB3 GLU A 14 9.826 5.741 -6.617 1.00 0.53 H new ATOM 0 HG2 GLU A 14 10.762 3.562 -7.432 1.00 1.18 H new ATOM 0 HG3 GLU A 14 11.424 4.391 -8.826 1.00 1.18 H new ATOM 186 N ILE A 15 7.376 4.186 -6.671 1.00 0.22 N ATOM 187 CA ILE A 15 6.781 3.055 -5.947 1.00 0.19 C ATOM 188 C ILE A 15 5.899 2.243 -6.877 1.00 0.17 C ATOM 189 O ILE A 15 6.000 1.021 -6.938 1.00 0.22 O ATOM 190 CB ILE A 15 5.903 3.456 -4.741 1.00 0.21 C ATOM 191 CG1 ILE A 15 6.315 4.786 -4.128 1.00 0.25 C ATOM 192 CG2 ILE A 15 5.975 2.363 -3.684 1.00 0.29 C ATOM 193 CD1 ILE A 15 7.678 4.764 -3.470 1.00 0.33 C ATOM 0 H ILE A 15 7.158 5.106 -6.289 1.00 0.22 H new ATOM 0 HA ILE A 15 7.634 2.488 -5.574 1.00 0.19 H new ATOM 0 HB ILE A 15 4.883 3.575 -5.105 1.00 0.21 H new ATOM 0 HG12 ILE A 15 6.310 5.550 -4.906 1.00 0.25 H new ATOM 0 HG13 ILE A 15 5.570 5.080 -3.388 1.00 0.25 H new ATOM 0 HG21 ILE A 15 5.357 2.641 -2.830 1.00 0.29 H new ATOM 0 HG22 ILE A 15 5.612 1.425 -4.105 1.00 0.29 H new ATOM 0 HG23 ILE A 15 7.008 2.239 -3.359 1.00 0.29 H new ATOM 0 HD11 ILE A 15 7.899 5.748 -3.057 1.00 0.33 H new ATOM 0 HD12 ILE A 15 7.683 4.025 -2.669 1.00 0.33 H new ATOM 0 HD13 ILE A 15 8.435 4.503 -4.210 1.00 0.33 H new ATOM 200 N SER A 16 5.044 2.939 -7.609 1.00 0.18 N ATOM 201 CA SER A 16 4.099 2.302 -8.496 1.00 0.25 C ATOM 202 C SER A 16 4.820 1.566 -9.622 1.00 0.22 C ATOM 203 O SER A 16 4.380 0.508 -10.066 1.00 0.30 O ATOM 204 CB SER A 16 3.146 3.357 -9.042 1.00 0.32 C ATOM 205 OG SER A 16 3.857 4.463 -9.569 1.00 0.30 O ATOM 0 H SER A 16 4.990 3.958 -7.601 1.00 0.18 H new ATOM 0 HA SER A 16 3.526 1.557 -7.945 1.00 0.25 H new ATOM 0 HB2 SER A 16 2.521 2.919 -9.820 1.00 0.32 H new ATOM 0 HB3 SER A 16 2.479 3.694 -8.249 1.00 0.32 H new ATOM 0 HG SER A 16 3.994 5.130 -8.864 1.00 0.30 H new ATOM 211 N PHE A 17 5.938 2.125 -10.065 1.00 0.18 N ATOM 212 CA PHE A 17 6.768 1.481 -11.068 1.00 0.24 C ATOM 213 C PHE A 17 7.426 0.228 -10.493 1.00 0.28 C ATOM 214 O PHE A 17 7.454 -0.825 -11.134 1.00 0.37 O ATOM 215 CB PHE A 17 7.837 2.460 -11.571 1.00 0.29 C ATOM 216 CG PHE A 17 8.858 1.839 -12.484 1.00 0.38 C ATOM 217 CD1 PHE A 17 10.144 1.582 -12.039 1.00 0.39 C ATOM 218 CD2 PHE A 17 8.527 1.512 -13.792 1.00 0.49 C ATOM 219 CE1 PHE A 17 11.082 1.015 -12.880 1.00 0.49 C ATOM 220 CE2 PHE A 17 9.462 0.944 -14.636 1.00 0.59 C ATOM 221 CZ PHE A 17 10.747 0.684 -14.163 1.00 0.58 C ATOM 0 H PHE A 17 6.290 3.026 -9.743 1.00 0.18 H new ATOM 0 HA PHE A 17 6.137 1.185 -11.906 1.00 0.24 H new ATOM 0 HB2 PHE A 17 7.346 3.279 -12.097 1.00 0.29 H new ATOM 0 HB3 PHE A 17 8.349 2.894 -10.712 1.00 0.29 H new ATOM 0 HD1 PHE A 17 10.417 1.828 -11.023 1.00 0.39 H new ATOM 0 HD2 PHE A 17 7.528 1.704 -14.154 1.00 0.49 H new ATOM 0 HE1 PHE A 17 12.084 0.833 -12.522 1.00 0.49 H new ATOM 0 HE2 PHE A 17 9.199 0.703 -15.655 1.00 0.59 H new ATOM 0 HZ PHE A 17 11.478 0.221 -14.810 1.00 0.58 H new ATOM 231 N ARG A 18 7.941 0.350 -9.274 1.00 0.24 N ATOM 232 CA ARG A 18 8.661 -0.739 -8.631 1.00 0.29 C ATOM 233 C ARG A 18 7.733 -1.885 -8.259 1.00 0.28 C ATOM 234 O ARG A 18 8.032 -3.048 -8.525 1.00 0.30 O ATOM 235 CB ARG A 18 9.402 -0.241 -7.385 1.00 0.37 C ATOM 236 CG ARG A 18 10.550 0.707 -7.700 1.00 0.41 C ATOM 237 CD ARG A 18 11.199 1.248 -6.435 1.00 0.57 C ATOM 238 NE ARG A 18 11.861 0.205 -5.653 1.00 1.49 N ATOM 239 CZ ARG A 18 12.999 0.389 -4.983 1.00 1.74 C ATOM 240 NH1 ARG A 18 13.606 1.572 -5.003 1.00 1.26 N ATOM 241 NH2 ARG A 18 13.526 -0.610 -4.292 1.00 2.83 N ATOM 0 H ARG A 18 7.872 1.197 -8.711 1.00 0.24 H new ATOM 0 HA ARG A 18 9.388 -1.113 -9.351 1.00 0.29 H new ATOM 0 HB2 ARG A 18 8.694 0.264 -6.728 1.00 0.37 H new ATOM 0 HB3 ARG A 18 9.790 -1.099 -6.836 1.00 0.37 H new ATOM 0 HG2 ARG A 18 11.298 0.186 -8.298 1.00 0.41 H new ATOM 0 HG3 ARG A 18 10.181 1.537 -8.303 1.00 0.41 H new ATOM 0 HD2 ARG A 18 11.927 2.013 -6.703 1.00 0.57 H new ATOM 0 HD3 ARG A 18 10.440 1.732 -5.820 1.00 0.57 H new ATOM 0 HE ARG A 18 11.427 -0.717 -5.618 1.00 1.49 H new ATOM 0 HH11 ARG A 18 13.201 2.344 -5.533 1.00 1.26 H new ATOM 0 HH12 ARG A 18 14.476 1.707 -4.489 1.00 1.26 H new ATOM 0 HH21 ARG A 18 13.061 -1.518 -4.273 1.00 2.83 H new ATOM 0 HH22 ARG A 18 14.396 -0.472 -3.779 1.00 2.83 H new ATOM 255 N LEU A 19 6.602 -1.555 -7.661 1.00 0.27 N ATOM 256 CA LEU A 19 5.679 -2.568 -7.181 1.00 0.25 C ATOM 257 C LEU A 19 4.734 -3.046 -8.275 1.00 0.28 C ATOM 258 O LEU A 19 3.882 -3.902 -8.034 1.00 0.38 O ATOM 259 CB LEU A 19 4.892 -2.049 -5.978 1.00 0.29 C ATOM 260 CG LEU A 19 5.649 -2.075 -4.645 1.00 0.35 C ATOM 261 CD1 LEU A 19 6.099 -3.486 -4.318 1.00 0.99 C ATOM 262 CD2 LEU A 19 6.850 -1.157 -4.674 1.00 0.63 C ATOM 0 H LEU A 19 6.301 -0.594 -7.496 1.00 0.27 H new ATOM 0 HA LEU A 19 6.273 -3.427 -6.870 1.00 0.25 H new ATOM 0 HB2 LEU A 19 4.581 -1.024 -6.182 1.00 0.29 H new ATOM 0 HB3 LEU A 19 3.984 -2.643 -5.874 1.00 0.29 H new ATOM 0 HG LEU A 19 4.964 -1.724 -3.873 1.00 0.35 H new ATOM 0 HD11 LEU A 19 6.635 -3.486 -3.369 1.00 0.99 H new ATOM 0 HD12 LEU A 19 5.228 -4.138 -4.244 1.00 0.99 H new ATOM 0 HD13 LEU A 19 6.758 -3.850 -5.106 1.00 0.99 H new ATOM 0 HD21 LEU A 19 7.364 -1.200 -3.714 1.00 0.63 H new ATOM 0 HD22 LEU A 19 7.531 -1.474 -5.464 1.00 0.63 H new ATOM 0 HD23 LEU A 19 6.522 -0.135 -4.865 1.00 0.63 H new ATOM 274 N GLN A 20 4.910 -2.500 -9.486 1.00 0.25 N ATOM 275 CA GLN A 20 4.024 -2.794 -10.615 1.00 0.28 C ATOM 276 C GLN A 20 2.586 -2.481 -10.229 1.00 0.28 C ATOM 277 O GLN A 20 1.644 -3.121 -10.700 1.00 0.35 O ATOM 278 CB GLN A 20 4.150 -4.260 -11.047 1.00 0.36 C ATOM 279 CG GLN A 20 5.548 -4.647 -11.500 1.00 0.88 C ATOM 280 CD GLN A 20 5.637 -6.096 -11.939 1.00 1.00 C ATOM 281 OE1 GLN A 20 6.682 -6.732 -11.815 1.00 1.36 O ATOM 282 NE2 GLN A 20 4.540 -6.628 -12.453 1.00 1.60 N ATOM 0 H GLN A 20 5.663 -1.849 -9.707 1.00 0.25 H new ATOM 0 HA GLN A 20 4.317 -2.170 -11.459 1.00 0.28 H new ATOM 0 HB2 GLN A 20 3.857 -4.901 -10.215 1.00 0.36 H new ATOM 0 HB3 GLN A 20 3.449 -4.451 -11.859 1.00 0.36 H new ATOM 0 HG2 GLN A 20 5.851 -4.002 -12.325 1.00 0.88 H new ATOM 0 HG3 GLN A 20 6.251 -4.474 -10.685 1.00 0.88 H new ATOM 0 HE21 GLN A 20 3.693 -6.067 -12.539 1.00 1.60 H new ATOM 0 HE22 GLN A 20 4.542 -7.600 -12.763 1.00 1.60 H new ATOM 291 N GLU A 21 2.448 -1.462 -9.393 1.00 0.29 N ATOM 292 CA GLU A 21 1.195 -1.163 -8.708 1.00 0.36 C ATOM 293 C GLU A 21 0.049 -0.876 -9.675 1.00 0.31 C ATOM 294 O GLU A 21 0.097 0.066 -10.467 1.00 0.36 O ATOM 295 CB GLU A 21 1.404 0.020 -7.766 1.00 0.53 C ATOM 296 CG GLU A 21 0.998 -0.265 -6.329 1.00 0.79 C ATOM 297 CD GLU A 21 -0.500 -0.275 -6.114 1.00 0.70 C ATOM 298 OE1 GLU A 21 -0.990 0.558 -5.328 1.00 1.07 O ATOM 299 OE2 GLU A 21 -1.190 -1.106 -6.729 1.00 1.31 O ATOM 0 H GLU A 21 3.204 -0.815 -9.169 1.00 0.29 H new ATOM 0 HA GLU A 21 0.909 -2.048 -8.140 1.00 0.36 H new ATOM 0 HB2 GLU A 21 2.455 0.309 -7.787 1.00 0.53 H new ATOM 0 HB3 GLU A 21 0.832 0.872 -8.134 1.00 0.53 H new ATOM 0 HG2 GLU A 21 1.406 -1.230 -6.029 1.00 0.79 H new ATOM 0 HG3 GLU A 21 1.445 0.486 -5.678 1.00 0.79 H new ATOM 306 N PRO A 22 -0.983 -1.732 -9.638 1.00 0.27 N ATOM 307 CA PRO A 22 -2.243 -1.534 -10.371 1.00 0.28 C ATOM 308 C PRO A 22 -3.019 -0.294 -9.919 1.00 0.30 C ATOM 309 O PRO A 22 -3.577 0.430 -10.745 1.00 0.41 O ATOM 310 CB PRO A 22 -3.043 -2.791 -10.014 1.00 0.30 C ATOM 311 CG PRO A 22 -2.467 -3.205 -8.708 1.00 0.31 C ATOM 312 CD PRO A 22 -1.003 -2.995 -8.878 1.00 0.31 C ATOM 0 HA PRO A 22 -2.064 -1.384 -11.436 1.00 0.28 H new ATOM 0 HB2 PRO A 22 -4.109 -2.580 -9.934 1.00 0.30 H new ATOM 0 HB3 PRO A 22 -2.928 -3.569 -10.769 1.00 0.30 H new ATOM 0 HG2 PRO A 22 -2.864 -2.606 -7.889 1.00 0.31 H new ATOM 0 HG3 PRO A 22 -2.697 -4.246 -8.482 1.00 0.31 H new ATOM 0 HD2 PRO A 22 -0.486 -2.909 -7.922 1.00 0.31 H new ATOM 0 HD3 PRO A 22 -0.530 -3.812 -9.424 1.00 0.31 H new ATOM 320 N LYS A 23 -3.043 -0.052 -8.612 1.00 0.30 N ATOM 321 CA LYS A 23 -3.870 1.005 -8.038 1.00 0.35 C ATOM 322 C LYS A 23 -2.981 2.138 -7.557 1.00 0.34 C ATOM 323 O LYS A 23 -2.869 2.412 -6.365 1.00 0.45 O ATOM 324 CB LYS A 23 -4.721 0.455 -6.891 1.00 0.42 C ATOM 325 CG LYS A 23 -3.916 -0.353 -5.899 1.00 0.44 C ATOM 326 CD LYS A 23 -4.662 -0.583 -4.612 1.00 0.77 C ATOM 327 CE LYS A 23 -3.762 -1.249 -3.596 1.00 0.73 C ATOM 328 NZ LYS A 23 -4.491 -1.570 -2.342 1.00 1.41 N ATOM 0 H LYS A 23 -2.497 -0.576 -7.928 1.00 0.30 H new ATOM 0 HA LYS A 23 -4.547 1.388 -8.802 1.00 0.35 H new ATOM 0 HB2 LYS A 23 -5.202 1.284 -6.372 1.00 0.42 H new ATOM 0 HB3 LYS A 23 -5.515 -0.169 -7.301 1.00 0.42 H new ATOM 0 HG2 LYS A 23 -3.656 -1.314 -6.342 1.00 0.44 H new ATOM 0 HG3 LYS A 23 -2.980 0.164 -5.687 1.00 0.44 H new ATOM 0 HD2 LYS A 23 -5.025 0.367 -4.219 1.00 0.77 H new ATOM 0 HD3 LYS A 23 -5.537 -1.206 -4.797 1.00 0.77 H new ATOM 0 HE2 LYS A 23 -3.348 -2.164 -4.021 1.00 0.73 H new ATOM 0 HE3 LYS A 23 -2.921 -0.594 -3.370 1.00 0.73 H new ATOM 0 HZ1 LYS A 23 -3.920 -1.277 -1.524 1.00 1.41 H new ATOM 0 HZ2 LYS A 23 -5.399 -1.063 -2.329 1.00 1.41 H new ATOM 0 HZ3 LYS A 23 -4.665 -2.594 -2.294 1.00 1.41 H new ATOM 342 N LYS A 24 -2.381 2.812 -8.517 1.00 0.29 N ATOM 343 CA LYS A 24 -1.283 3.733 -8.260 1.00 0.29 C ATOM 344 C LYS A 24 -1.676 4.923 -7.379 1.00 0.31 C ATOM 345 O LYS A 24 -0.806 5.642 -6.888 1.00 0.35 O ATOM 346 CB LYS A 24 -0.707 4.203 -9.587 1.00 0.31 C ATOM 347 CG LYS A 24 -0.350 3.046 -10.509 1.00 0.30 C ATOM 348 CD LYS A 24 0.372 3.531 -11.762 1.00 0.42 C ATOM 349 CE LYS A 24 0.883 2.375 -12.611 1.00 1.15 C ATOM 350 NZ LYS A 24 -0.196 1.413 -12.957 1.00 1.75 N ATOM 0 H LYS A 24 -2.639 2.739 -9.501 1.00 0.29 H new ATOM 0 HA LYS A 24 -0.527 3.191 -7.693 1.00 0.29 H new ATOM 0 HB2 LYS A 24 -1.429 4.850 -10.084 1.00 0.31 H new ATOM 0 HB3 LYS A 24 0.184 4.803 -9.401 1.00 0.31 H new ATOM 0 HG2 LYS A 24 0.282 2.336 -9.976 1.00 0.30 H new ATOM 0 HG3 LYS A 24 -1.257 2.513 -10.794 1.00 0.30 H new ATOM 0 HD2 LYS A 24 -0.305 4.145 -12.356 1.00 0.42 H new ATOM 0 HD3 LYS A 24 1.209 4.167 -11.474 1.00 0.42 H new ATOM 0 HE2 LYS A 24 1.326 2.767 -13.527 1.00 1.15 H new ATOM 0 HE3 LYS A 24 1.674 1.853 -12.073 1.00 1.15 H new ATOM 0 HZ1 LYS A 24 0.070 0.886 -13.813 1.00 1.75 H new ATOM 0 HZ2 LYS A 24 -0.333 0.747 -12.170 1.00 1.75 H new ATOM 0 HZ3 LYS A 24 -1.081 1.931 -13.130 1.00 1.75 H new ATOM 364 N ASP A 25 -2.968 5.133 -7.166 1.00 0.31 N ATOM 365 CA ASP A 25 -3.418 6.180 -6.255 1.00 0.38 C ATOM 366 C ASP A 25 -3.210 5.741 -4.806 1.00 0.31 C ATOM 367 O ASP A 25 -2.898 6.554 -3.932 1.00 0.34 O ATOM 368 CB ASP A 25 -4.894 6.535 -6.499 1.00 0.54 C ATOM 369 CG ASP A 25 -5.851 5.411 -6.147 1.00 1.32 C ATOM 370 OD1 ASP A 25 -6.354 5.387 -5.003 1.00 2.14 O ATOM 371 OD2 ASP A 25 -6.118 4.557 -7.020 1.00 1.87 O ATOM 0 H ASP A 25 -3.717 4.599 -7.606 1.00 0.31 H new ATOM 0 HA ASP A 25 -2.823 7.073 -6.445 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.150 7.417 -5.912 1.00 0.54 H new ATOM 0 HB3 ASP A 25 -5.027 6.801 -7.548 1.00 0.54 H new ATOM 376 N LEU A 26 -3.365 4.446 -4.566 1.00 0.28 N ATOM 377 CA LEU A 26 -3.231 3.880 -3.234 1.00 0.31 C ATOM 378 C LEU A 26 -1.759 3.842 -2.823 1.00 0.25 C ATOM 379 O LEU A 26 -1.400 4.247 -1.715 1.00 0.24 O ATOM 380 CB LEU A 26 -3.838 2.473 -3.218 1.00 0.40 C ATOM 381 CG LEU A 26 -4.369 1.975 -1.867 1.00 0.58 C ATOM 382 CD1 LEU A 26 -3.246 1.801 -0.859 1.00 1.33 C ATOM 383 CD2 LEU A 26 -5.429 2.924 -1.332 1.00 1.18 C ATOM 0 H LEU A 26 -3.587 3.761 -5.289 1.00 0.28 H new ATOM 0 HA LEU A 26 -3.765 4.503 -2.517 1.00 0.31 H new ATOM 0 HB2 LEU A 26 -4.656 2.445 -3.938 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -3.082 1.770 -3.568 1.00 0.40 H new ATOM 0 HG LEU A 26 -4.824 0.997 -2.025 1.00 0.58 H new ATOM 0 HD11 LEU A 26 -3.657 1.447 0.086 1.00 1.33 H new ATOM 0 HD12 LEU A 26 -2.527 1.074 -1.237 1.00 1.33 H new ATOM 0 HD13 LEU A 26 -2.746 2.757 -0.702 1.00 1.33 H new ATOM 0 HD21 LEU A 26 -5.796 2.557 -0.373 1.00 1.18 H new ATOM 0 HD22 LEU A 26 -4.996 3.916 -1.199 1.00 1.18 H new ATOM 0 HD23 LEU A 26 -6.257 2.981 -2.039 1.00 1.18 H new ATOM 395 N ILE A 27 -0.912 3.355 -3.721 1.00 0.23 N ATOM 396 CA ILE A 27 0.522 3.262 -3.463 1.00 0.23 C ATOM 397 C ILE A 27 1.132 4.654 -3.256 1.00 0.22 C ATOM 398 O ILE A 27 2.104 4.814 -2.515 1.00 0.24 O ATOM 399 CB ILE A 27 1.237 2.500 -4.608 1.00 0.24 C ATOM 400 CG1 ILE A 27 2.679 2.149 -4.254 1.00 0.28 C ATOM 401 CG2 ILE A 27 1.172 3.268 -5.907 1.00 0.34 C ATOM 402 CD1 ILE A 27 2.776 1.178 -3.108 1.00 0.44 C ATOM 0 H ILE A 27 -1.194 3.016 -4.641 1.00 0.23 H new ATOM 0 HA ILE A 27 0.667 2.696 -2.543 1.00 0.23 H new ATOM 0 HB ILE A 27 0.700 1.561 -4.743 1.00 0.24 H new ATOM 0 HG12 ILE A 27 3.170 1.723 -5.129 1.00 0.28 H new ATOM 0 HG13 ILE A 27 3.218 3.061 -3.999 1.00 0.28 H new ATOM 0 HG21 ILE A 27 1.683 2.705 -6.688 1.00 0.34 H new ATOM 0 HG22 ILE A 27 0.130 3.417 -6.190 1.00 0.34 H new ATOM 0 HG23 ILE A 27 1.656 4.236 -5.782 1.00 0.34 H new ATOM 0 HD11 ILE A 27 3.824 0.964 -2.900 1.00 0.44 H new ATOM 0 HD12 ILE A 27 2.312 1.612 -2.223 1.00 0.44 H new ATOM 0 HD13 ILE A 27 2.262 0.253 -3.370 1.00 0.44 H new ATOM 409 N ALA A 28 0.542 5.667 -3.893 1.00 0.21 N ATOM 410 CA ALA A 28 0.957 7.052 -3.677 1.00 0.21 C ATOM 411 C ALA A 28 0.477 7.551 -2.325 1.00 0.21 C ATOM 412 O ALA A 28 1.125 8.376 -1.688 1.00 0.20 O ATOM 413 CB ALA A 28 0.430 7.968 -4.764 1.00 0.21 C ATOM 0 H ALA A 28 -0.222 5.554 -4.560 1.00 0.21 H new ATOM 0 HA ALA A 28 2.046 7.069 -3.706 1.00 0.21 H new ATOM 0 HB1 ALA A 28 0.758 8.989 -4.570 1.00 0.21 H new ATOM 0 HB2 ALA A 28 0.811 7.642 -5.731 1.00 0.21 H new ATOM 0 HB3 ALA A 28 -0.659 7.933 -4.773 1.00 0.21 H new ATOM 419 N ARG A 29 -0.683 7.069 -1.906 1.00 0.21 N ATOM 420 CA ARG A 29 -1.237 7.445 -0.618 1.00 0.21 C ATOM 421 C ARG A 29 -0.273 7.094 0.512 1.00 0.19 C ATOM 422 O ARG A 29 -0.126 7.864 1.461 1.00 0.17 O ATOM 423 CB ARG A 29 -2.577 6.767 -0.375 1.00 0.22 C ATOM 424 CG ARG A 29 -3.099 7.042 1.015 1.00 0.27 C ATOM 425 CD ARG A 29 -4.216 6.078 1.400 1.00 0.29 C ATOM 426 NE ARG A 29 -5.419 6.276 0.588 1.00 0.64 N ATOM 427 CZ ARG A 29 -6.621 6.555 1.089 1.00 1.11 C ATOM 428 NH1 ARG A 29 -6.789 6.706 2.400 1.00 1.48 N ATOM 429 NH2 ARG A 29 -7.660 6.685 0.270 1.00 1.47 N ATOM 0 H ARG A 29 -1.258 6.417 -2.440 1.00 0.21 H new ATOM 0 HA ARG A 29 -1.390 8.524 -0.633 1.00 0.21 H new ATOM 0 HB2 ARG A 29 -3.301 7.117 -1.111 1.00 0.22 H new ATOM 0 HB3 ARG A 29 -2.472 5.692 -0.518 1.00 0.22 H new ATOM 0 HG2 ARG A 29 -2.283 6.959 1.733 1.00 0.27 H new ATOM 0 HG3 ARG A 29 -3.468 8.066 1.069 1.00 0.27 H new ATOM 0 HD2 ARG A 29 -3.865 5.053 1.284 1.00 0.29 H new ATOM 0 HD3 ARG A 29 -4.464 6.213 2.453 1.00 0.29 H new ATOM 0 HE ARG A 29 -5.331 6.195 -0.425 1.00 0.64 H new ATOM 0 HH11 ARG A 29 -5.993 6.608 3.031 1.00 1.48 H new ATOM 0 HH12 ARG A 29 -7.713 6.920 2.774 1.00 1.48 H new ATOM 0 HH21 ARG A 29 -7.534 6.571 -0.736 1.00 1.47 H new ATOM 0 HH22 ARG A 29 -8.583 6.899 0.647 1.00 1.47 H new ATOM 443 N VAL A 30 0.373 5.929 0.411 1.00 0.21 N ATOM 444 CA VAL A 30 1.357 5.504 1.411 1.00 0.23 C ATOM 445 C VAL A 30 2.396 6.597 1.598 1.00 0.19 C ATOM 446 O VAL A 30 2.749 6.963 2.718 1.00 0.17 O ATOM 447 CB VAL A 30 2.097 4.216 0.992 1.00 0.34 C ATOM 448 CG1 VAL A 30 2.975 3.714 2.129 1.00 1.03 C ATOM 449 CG2 VAL A 30 1.122 3.140 0.546 1.00 1.10 C ATOM 0 H VAL A 30 0.233 5.265 -0.351 1.00 0.21 H new ATOM 0 HA VAL A 30 0.810 5.310 2.334 1.00 0.23 H new ATOM 0 HB VAL A 30 2.736 4.455 0.142 1.00 0.34 H new ATOM 0 HG11 VAL A 30 3.490 2.805 1.817 1.00 1.03 H new ATOM 0 HG12 VAL A 30 3.710 4.477 2.386 1.00 1.03 H new ATOM 0 HG13 VAL A 30 2.355 3.499 3.000 1.00 1.03 H new ATOM 0 HG21 VAL A 30 1.674 2.246 0.257 1.00 1.10 H new ATOM 0 HG22 VAL A 30 0.445 2.900 1.366 1.00 1.10 H new ATOM 0 HG23 VAL A 30 0.546 3.501 -0.306 1.00 1.10 H new ATOM 453 N VAL A 31 2.837 7.123 0.470 1.00 0.19 N ATOM 454 CA VAL A 31 3.770 8.236 0.417 1.00 0.19 C ATOM 455 C VAL A 31 3.274 9.409 1.252 1.00 0.17 C ATOM 456 O VAL A 31 4.002 9.954 2.081 1.00 0.20 O ATOM 457 CB VAL A 31 3.903 8.709 -1.034 1.00 0.20 C ATOM 458 CG1 VAL A 31 4.768 9.958 -1.135 1.00 0.20 C ATOM 459 CG2 VAL A 31 4.454 7.601 -1.916 1.00 0.22 C ATOM 0 H VAL A 31 2.553 6.785 -0.449 1.00 0.19 H new ATOM 0 HA VAL A 31 4.728 7.896 0.811 1.00 0.19 H new ATOM 0 HB VAL A 31 2.905 8.966 -1.389 1.00 0.20 H new ATOM 0 HG11 VAL A 31 4.841 10.266 -2.178 1.00 0.20 H new ATOM 0 HG12 VAL A 31 4.318 10.760 -0.550 1.00 0.20 H new ATOM 0 HG13 VAL A 31 5.764 9.743 -0.749 1.00 0.20 H new ATOM 0 HG21 VAL A 31 4.539 7.961 -2.941 1.00 0.22 H new ATOM 0 HG22 VAL A 31 5.437 7.302 -1.553 1.00 0.22 H new ATOM 0 HG23 VAL A 31 3.781 6.744 -1.887 1.00 0.22 H new ATOM 463 N ARG A 32 2.027 9.781 1.019 1.00 0.16 N ATOM 464 CA ARG A 32 1.441 10.940 1.665 1.00 0.19 C ATOM 465 C ARG A 32 1.307 10.722 3.174 1.00 0.18 C ATOM 466 O ARG A 32 1.582 11.621 3.972 1.00 0.23 O ATOM 467 CB ARG A 32 0.066 11.235 1.063 1.00 0.26 C ATOM 468 CG ARG A 32 -0.569 12.506 1.597 1.00 1.08 C ATOM 469 CD ARG A 32 -1.965 12.705 1.041 1.00 1.37 C ATOM 470 NE ARG A 32 -2.546 13.968 1.480 1.00 2.21 N ATOM 471 CZ ARG A 32 -3.772 14.091 1.972 1.00 2.78 C ATOM 472 NH1 ARG A 32 -4.536 13.015 2.126 1.00 2.81 N ATOM 473 NH2 ARG A 32 -4.230 15.287 2.307 1.00 3.75 N ATOM 0 H ARG A 32 1.398 9.292 0.382 1.00 0.16 H new ATOM 0 HA ARG A 32 2.102 11.790 1.498 1.00 0.19 H new ATOM 0 HB2 ARG A 32 0.162 11.313 -0.020 1.00 0.26 H new ATOM 0 HB3 ARG A 32 -0.598 10.394 1.264 1.00 0.26 H new ATOM 0 HG2 ARG A 32 -0.612 12.463 2.685 1.00 1.08 H new ATOM 0 HG3 ARG A 32 0.053 13.362 1.336 1.00 1.08 H new ATOM 0 HD2 ARG A 32 -1.930 12.680 -0.048 1.00 1.37 H new ATOM 0 HD3 ARG A 32 -2.604 11.881 1.358 1.00 1.37 H new ATOM 0 HE ARG A 32 -1.974 14.809 1.404 1.00 2.21 H new ATOM 0 HH11 ARG A 32 -4.180 12.095 1.866 1.00 2.81 H new ATOM 0 HH12 ARG A 32 -5.479 13.109 2.504 1.00 2.81 H new ATOM 0 HH21 ARG A 32 -3.641 16.111 2.187 1.00 3.75 H new ATOM 0 HH22 ARG A 32 -5.172 15.385 2.685 1.00 3.75 H new ATOM 487 N ILE A 33 0.883 9.522 3.551 1.00 0.16 N ATOM 488 CA ILE A 33 0.564 9.220 4.943 1.00 0.17 C ATOM 489 C ILE A 33 1.815 9.059 5.810 1.00 0.18 C ATOM 490 O ILE A 33 1.909 9.668 6.879 1.00 0.22 O ATOM 491 CB ILE A 33 -0.317 7.953 5.064 1.00 0.21 C ATOM 492 CG1 ILE A 33 -1.602 8.114 4.242 1.00 0.30 C ATOM 493 CG2 ILE A 33 -0.658 7.669 6.522 1.00 0.21 C ATOM 494 CD1 ILE A 33 -2.456 9.296 4.657 1.00 0.80 C ATOM 0 H ILE A 33 0.751 8.739 2.911 1.00 0.16 H new ATOM 0 HA ILE A 33 0.005 10.079 5.313 1.00 0.17 H new ATOM 0 HB ILE A 33 0.248 7.108 4.671 1.00 0.21 H new ATOM 0 HG12 ILE A 33 -1.337 8.222 3.190 1.00 0.30 H new ATOM 0 HG13 ILE A 33 -2.194 7.203 4.330 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.278 6.774 6.583 1.00 0.21 H new ATOM 0 HG22 ILE A 33 0.261 7.513 7.087 1.00 0.21 H new ATOM 0 HG23 ILE A 33 -1.202 8.516 6.940 1.00 0.21 H new ATOM 0 HD11 ILE A 33 -3.345 9.341 4.028 1.00 0.80 H new ATOM 0 HD12 ILE A 33 -2.754 9.182 5.699 1.00 0.80 H new ATOM 0 HD13 ILE A 33 -1.884 10.217 4.542 1.00 0.80 H new ATOM 501 N ILE A 34 2.773 8.242 5.371 1.00 0.20 N ATOM 502 CA ILE A 34 3.940 7.963 6.208 1.00 0.25 C ATOM 503 C ILE A 34 5.118 8.870 5.863 1.00 0.23 C ATOM 504 O ILE A 34 5.921 9.204 6.732 1.00 0.30 O ATOM 505 CB ILE A 34 4.383 6.478 6.146 1.00 0.30 C ATOM 506 CG1 ILE A 34 4.908 6.090 4.759 1.00 0.26 C ATOM 507 CG2 ILE A 34 3.225 5.575 6.541 1.00 0.40 C ATOM 508 CD1 ILE A 34 5.440 4.668 4.687 1.00 0.34 C ATOM 0 H ILE A 34 2.767 7.773 4.465 1.00 0.20 H new ATOM 0 HA ILE A 34 3.623 8.173 7.230 1.00 0.25 H new ATOM 0 HB ILE A 34 5.204 6.349 6.851 1.00 0.30 H new ATOM 0 HG12 ILE A 34 4.106 6.207 4.030 1.00 0.26 H new ATOM 0 HG13 ILE A 34 5.701 6.781 4.473 1.00 0.26 H new ATOM 0 HG21 ILE A 34 3.544 4.534 6.495 1.00 0.40 H new ATOM 0 HG22 ILE A 34 2.908 5.813 7.556 1.00 0.40 H new ATOM 0 HG23 ILE A 34 2.392 5.730 5.855 1.00 0.40 H new ATOM 0 HD11 ILE A 34 5.794 4.463 3.677 1.00 0.34 H new ATOM 0 HD12 ILE A 34 6.264 4.552 5.391 1.00 0.34 H new ATOM 0 HD13 ILE A 34 4.644 3.968 4.941 1.00 0.34 H new ATOM 515 N GLY A 35 5.202 9.293 4.613 1.00 0.23 N ATOM 516 CA GLY A 35 6.290 10.155 4.203 1.00 0.24 C ATOM 517 C GLY A 35 7.086 9.581 3.049 1.00 0.22 C ATOM 518 O GLY A 35 7.044 8.378 2.792 1.00 0.26 O ATOM 0 H GLY A 35 4.538 9.056 3.876 1.00 0.23 H new ATOM 0 HA2 GLY A 35 5.890 11.127 3.915 1.00 0.24 H new ATOM 0 HA3 GLY A 35 6.955 10.322 5.050 1.00 0.24 H new ATOM 522 N ASN A 36 7.824 10.445 2.364 1.00 0.30 N ATOM 523 CA ASN A 36 8.602 10.047 1.196 1.00 0.34 C ATOM 524 C ASN A 36 9.757 9.126 1.583 1.00 0.27 C ATOM 525 O ASN A 36 9.938 8.065 0.984 1.00 0.27 O ATOM 526 CB ASN A 36 9.124 11.282 0.447 1.00 0.46 C ATOM 527 CG ASN A 36 9.826 12.277 1.351 1.00 0.55 C ATOM 528 OD1 ASN A 36 9.186 13.148 1.947 1.00 0.91 O ATOM 529 ND2 ASN A 36 11.141 12.168 1.458 1.00 0.71 N ATOM 0 H ASN A 36 7.901 11.435 2.599 1.00 0.30 H new ATOM 0 HA ASN A 36 7.941 9.491 0.531 1.00 0.34 H new ATOM 0 HB2 ASN A 36 9.814 10.961 -0.334 1.00 0.46 H new ATOM 0 HB3 ASN A 36 8.290 11.778 -0.049 1.00 0.46 H new ATOM 0 HD21 ASN A 36 11.660 12.817 2.049 1.00 0.71 H new ATOM 0 HD22 ASN A 36 11.635 11.435 0.950 1.00 0.71 H new ATOM 536 N LYS A 37 10.524 9.514 2.598 1.00 0.31 N ATOM 537 CA LYS A 37 11.665 8.712 3.024 1.00 0.33 C ATOM 538 C LYS A 37 11.179 7.449 3.718 1.00 0.27 C ATOM 539 O LYS A 37 11.799 6.396 3.622 1.00 0.31 O ATOM 540 CB LYS A 37 12.603 9.501 3.944 1.00 0.46 C ATOM 541 CG LYS A 37 11.961 9.958 5.245 1.00 1.24 C ATOM 542 CD LYS A 37 13.003 10.393 6.263 1.00 1.85 C ATOM 543 CE LYS A 37 13.980 9.267 6.574 1.00 2.58 C ATOM 544 NZ LYS A 37 14.947 9.636 7.639 1.00 3.19 N ATOM 0 H LYS A 37 10.378 10.369 3.135 1.00 0.31 H new ATOM 0 HA LYS A 37 12.234 8.440 2.135 1.00 0.33 H new ATOM 0 HB2 LYS A 37 13.470 8.883 4.177 1.00 0.46 H new ATOM 0 HB3 LYS A 37 12.970 10.375 3.406 1.00 0.46 H new ATOM 0 HG2 LYS A 37 11.281 10.786 5.044 1.00 1.24 H new ATOM 0 HG3 LYS A 37 11.363 9.147 5.660 1.00 1.24 H new ATOM 0 HD2 LYS A 37 13.549 11.255 5.881 1.00 1.85 H new ATOM 0 HD3 LYS A 37 12.507 10.710 7.180 1.00 1.85 H new ATOM 0 HE2 LYS A 37 13.424 8.382 6.882 1.00 2.58 H new ATOM 0 HE3 LYS A 37 14.525 9.002 5.668 1.00 2.58 H new ATOM 0 HZ1 LYS A 37 15.591 8.838 7.815 1.00 3.19 H new ATOM 0 HZ2 LYS A 37 15.498 10.465 7.336 1.00 3.19 H new ATOM 0 HZ3 LYS A 37 14.431 9.864 8.513 1.00 3.19 H new ATOM 558 N LYS A 38 10.050 7.562 4.411 1.00 0.27 N ATOM 559 CA LYS A 38 9.439 6.418 5.066 1.00 0.27 C ATOM 560 C LYS A 38 8.999 5.398 4.022 1.00 0.24 C ATOM 561 O LYS A 38 9.026 4.192 4.264 1.00 0.32 O ATOM 562 CB LYS A 38 8.257 6.869 5.922 1.00 0.36 C ATOM 563 CG LYS A 38 8.640 7.889 6.986 1.00 1.07 C ATOM 564 CD LYS A 38 9.562 7.299 8.042 1.00 1.33 C ATOM 565 CE LYS A 38 8.830 6.343 8.973 1.00 1.33 C ATOM 566 NZ LYS A 38 7.732 7.021 9.716 1.00 2.45 N ATOM 0 H LYS A 38 9.541 8.438 4.532 1.00 0.27 H new ATOM 0 HA LYS A 38 10.171 5.947 5.722 1.00 0.27 H new ATOM 0 HB2 LYS A 38 7.492 7.298 5.275 1.00 0.36 H new ATOM 0 HB3 LYS A 38 7.814 5.998 6.406 1.00 0.36 H new ATOM 0 HG2 LYS A 38 9.130 8.739 6.512 1.00 1.07 H new ATOM 0 HG3 LYS A 38 7.737 8.268 7.465 1.00 1.07 H new ATOM 0 HD2 LYS A 38 10.381 6.772 7.553 1.00 1.33 H new ATOM 0 HD3 LYS A 38 10.005 8.105 8.627 1.00 1.33 H new ATOM 0 HE2 LYS A 38 8.419 5.516 8.394 1.00 1.33 H new ATOM 0 HE3 LYS A 38 9.538 5.915 9.683 1.00 1.33 H new ATOM 0 HZ1 LYS A 38 7.463 6.446 10.539 1.00 2.45 H new ATOM 0 HZ2 LYS A 38 8.056 7.956 10.038 1.00 2.45 H new ATOM 0 HZ3 LYS A 38 6.909 7.136 9.091 1.00 2.45 H new ATOM 580 N ALA A 39 8.609 5.896 2.853 1.00 0.20 N ATOM 581 CA ALA A 39 8.307 5.037 1.721 1.00 0.22 C ATOM 582 C ALA A 39 9.589 4.391 1.199 1.00 0.24 C ATOM 583 O ALA A 39 9.613 3.203 0.903 1.00 0.29 O ATOM 584 CB ALA A 39 7.611 5.822 0.619 1.00 0.26 C ATOM 0 H ALA A 39 8.495 6.893 2.668 1.00 0.20 H new ATOM 0 HA ALA A 39 7.629 4.250 2.051 1.00 0.22 H new ATOM 0 HB1 ALA A 39 7.394 5.159 -0.219 1.00 0.26 H new ATOM 0 HB2 ALA A 39 6.680 6.239 1.002 1.00 0.26 H new ATOM 0 HB3 ALA A 39 8.260 6.631 0.283 1.00 0.26 H new ATOM 590 N ILE A 40 10.662 5.180 1.114 1.00 0.24 N ATOM 591 CA ILE A 40 11.967 4.671 0.681 1.00 0.32 C ATOM 592 C ILE A 40 12.452 3.569 1.616 1.00 0.30 C ATOM 593 O ILE A 40 13.054 2.583 1.177 1.00 0.35 O ATOM 594 CB ILE A 40 13.030 5.789 0.625 1.00 0.42 C ATOM 595 CG1 ILE A 40 12.637 6.847 -0.409 1.00 0.55 C ATOM 596 CG2 ILE A 40 14.408 5.212 0.310 1.00 0.52 C ATOM 597 CD1 ILE A 40 12.488 6.306 -1.815 1.00 1.13 C ATOM 0 H ILE A 40 10.654 6.175 1.339 1.00 0.24 H new ATOM 0 HA ILE A 40 11.833 4.270 -0.324 1.00 0.32 H new ATOM 0 HB ILE A 40 13.080 6.265 1.604 1.00 0.42 H new ATOM 0 HG12 ILE A 40 11.696 7.306 -0.105 1.00 0.55 H new ATOM 0 HG13 ILE A 40 13.390 7.635 -0.412 1.00 0.55 H new ATOM 0 HG21 ILE A 40 15.141 6.018 0.276 1.00 0.52 H new ATOM 0 HG22 ILE A 40 14.689 4.499 1.085 1.00 0.52 H new ATOM 0 HG23 ILE A 40 14.379 4.707 -0.655 1.00 0.52 H new ATOM 0 HD11 ILE A 40 12.208 7.116 -2.489 1.00 1.13 H new ATOM 0 HD12 ILE A 40 13.434 5.873 -2.141 1.00 1.13 H new ATOM 0 HD13 ILE A 40 11.714 5.539 -1.829 1.00 1.13 H new ATOM 604 N GLU A 41 12.185 3.739 2.905 1.00 0.28 N ATOM 605 CA GLU A 41 12.464 2.700 3.884 1.00 0.32 C ATOM 606 C GLU A 41 11.790 1.411 3.451 1.00 0.31 C ATOM 607 O GLU A 41 12.406 0.349 3.429 1.00 0.37 O ATOM 608 CB GLU A 41 11.956 3.110 5.267 1.00 0.38 C ATOM 609 CG GLU A 41 12.694 4.292 5.867 1.00 0.79 C ATOM 610 CD GLU A 41 14.138 3.969 6.180 1.00 1.42 C ATOM 611 OE1 GLU A 41 14.992 4.156 5.292 1.00 2.10 O ATOM 612 OE2 GLU A 41 14.423 3.525 7.314 1.00 1.57 O ATOM 0 H GLU A 41 11.775 4.588 3.295 1.00 0.28 H new ATOM 0 HA GLU A 41 13.542 2.552 3.944 1.00 0.32 H new ATOM 0 HB2 GLU A 41 10.896 3.354 5.196 1.00 0.38 H new ATOM 0 HB3 GLU A 41 12.043 2.259 5.942 1.00 0.38 H new ATOM 0 HG2 GLU A 41 12.654 5.132 5.174 1.00 0.79 H new ATOM 0 HG3 GLU A 41 12.189 4.608 6.780 1.00 0.79 H new ATOM 619 N LEU A 42 10.531 1.535 3.061 1.00 0.26 N ATOM 620 CA LEU A 42 9.757 0.401 2.599 1.00 0.25 C ATOM 621 C LEU A 42 10.322 -0.162 1.294 1.00 0.24 C ATOM 622 O LEU A 42 10.439 -1.371 1.155 1.00 0.26 O ATOM 623 CB LEU A 42 8.291 0.794 2.407 1.00 0.25 C ATOM 624 CG LEU A 42 7.568 1.295 3.662 1.00 0.28 C ATOM 625 CD1 LEU A 42 6.107 1.564 3.355 1.00 0.29 C ATOM 626 CD2 LEU A 42 7.691 0.293 4.799 1.00 0.28 C ATOM 0 H LEU A 42 10.023 2.419 3.057 1.00 0.26 H new ATOM 0 HA LEU A 42 9.820 -0.375 3.362 1.00 0.25 H new ATOM 0 HB2 LEU A 42 8.239 1.572 1.645 1.00 0.25 H new ATOM 0 HB3 LEU A 42 7.750 -0.069 2.019 1.00 0.25 H new ATOM 0 HG LEU A 42 8.040 2.226 3.977 1.00 0.28 H new ATOM 0 HD11 LEU A 42 5.605 1.919 4.255 1.00 0.29 H new ATOM 0 HD12 LEU A 42 6.033 2.322 2.575 1.00 0.29 H new ATOM 0 HD13 LEU A 42 5.632 0.644 3.014 1.00 0.29 H new ATOM 0 HD21 LEU A 42 7.169 0.673 5.677 1.00 0.28 H new ATOM 0 HD22 LEU A 42 7.249 -0.656 4.497 1.00 0.28 H new ATOM 0 HD23 LEU A 42 8.744 0.143 5.039 1.00 0.28 H new ATOM 638 N LEU A 43 10.694 0.702 0.346 1.00 0.28 N ATOM 639 CA LEU A 43 11.188 0.228 -0.955 1.00 0.33 C ATOM 640 C LEU A 43 12.380 -0.694 -0.763 1.00 0.31 C ATOM 641 O LEU A 43 12.531 -1.687 -1.467 1.00 0.38 O ATOM 642 CB LEU A 43 11.634 1.362 -1.890 1.00 0.46 C ATOM 643 CG LEU A 43 10.769 2.621 -1.995 1.00 0.52 C ATOM 644 CD1 LEU A 43 11.104 3.355 -3.279 1.00 1.36 C ATOM 645 CD2 LEU A 43 9.288 2.322 -1.953 1.00 1.24 C ATOM 0 H LEU A 43 10.665 1.716 0.448 1.00 0.28 H new ATOM 0 HA LEU A 43 10.346 -0.289 -1.414 1.00 0.33 H new ATOM 0 HB2 LEU A 43 12.631 1.673 -1.578 1.00 0.46 H new ATOM 0 HB3 LEU A 43 11.730 0.944 -2.892 1.00 0.46 H new ATOM 0 HG LEU A 43 10.993 3.241 -1.127 1.00 0.52 H new ATOM 0 HD11 LEU A 43 10.489 4.252 -3.356 1.00 1.36 H new ATOM 0 HD12 LEU A 43 12.157 3.636 -3.273 1.00 1.36 H new ATOM 0 HD13 LEU A 43 10.907 2.705 -4.132 1.00 1.36 H new ATOM 0 HD21 LEU A 43 8.726 3.253 -2.031 1.00 1.24 H new ATOM 0 HD22 LEU A 43 9.025 1.668 -2.785 1.00 1.24 H new ATOM 0 HD23 LEU A 43 9.043 1.829 -1.012 1.00 1.24 H new ATOM 657 N MET A 44 13.231 -0.356 0.186 1.00 0.28 N ATOM 658 CA MET A 44 14.406 -1.160 0.460 1.00 0.32 C ATOM 659 C MET A 44 14.004 -2.434 1.197 1.00 0.34 C ATOM 660 O MET A 44 14.512 -3.518 0.912 1.00 0.44 O ATOM 661 CB MET A 44 15.409 -0.354 1.283 1.00 0.33 C ATOM 662 CG MET A 44 16.781 -0.994 1.375 1.00 0.93 C ATOM 663 SD MET A 44 17.555 -1.212 -0.242 1.00 1.99 S ATOM 664 CE MET A 44 17.640 0.489 -0.805 1.00 2.20 C ATOM 0 H MET A 44 13.131 0.468 0.779 1.00 0.28 H new ATOM 0 HA MET A 44 14.878 -1.440 -0.482 1.00 0.32 H new ATOM 0 HB2 MET A 44 15.510 0.639 0.844 1.00 0.33 H new ATOM 0 HB3 MET A 44 15.013 -0.219 2.290 1.00 0.33 H new ATOM 0 HG2 MET A 44 17.425 -0.377 2.002 1.00 0.93 H new ATOM 0 HG3 MET A 44 16.694 -1.963 1.866 1.00 0.93 H new ATOM 0 HE1 MET A 44 18.361 0.567 -1.618 1.00 2.20 H new ATOM 0 HE2 MET A 44 16.659 0.805 -1.159 1.00 2.20 H new ATOM 0 HE3 MET A 44 17.952 1.130 0.020 1.00 2.20 H new ATOM 674 N GLU A 45 13.062 -2.292 2.121 1.00 0.32 N ATOM 675 CA GLU A 45 12.576 -3.412 2.915 1.00 0.42 C ATOM 676 C GLU A 45 11.753 -4.396 2.082 1.00 0.42 C ATOM 677 O GLU A 45 11.632 -5.561 2.465 1.00 0.53 O ATOM 678 CB GLU A 45 11.780 -2.922 4.126 1.00 0.48 C ATOM 679 CG GLU A 45 12.642 -2.209 5.158 1.00 1.12 C ATOM 680 CD GLU A 45 11.913 -1.940 6.458 1.00 1.39 C ATOM 681 OE1 GLU A 45 11.551 -0.771 6.711 1.00 1.78 O ATOM 682 OE2 GLU A 45 11.714 -2.896 7.241 1.00 1.83 O ATOM 0 H GLU A 45 12.616 -1.401 2.340 1.00 0.32 H new ATOM 0 HA GLU A 45 13.452 -3.951 3.275 1.00 0.42 H new ATOM 0 HB2 GLU A 45 10.995 -2.246 3.788 1.00 0.48 H new ATOM 0 HB3 GLU A 45 11.287 -3.772 4.598 1.00 0.48 H new ATOM 0 HG2 GLU A 45 13.527 -2.812 5.363 1.00 1.12 H new ATOM 0 HG3 GLU A 45 12.990 -1.264 4.741 1.00 1.12 H new ATOM 689 N THR A 46 11.173 -3.936 0.962 1.00 0.35 N ATOM 690 CA THR A 46 10.387 -4.824 0.100 1.00 0.42 C ATOM 691 C THR A 46 11.184 -6.078 -0.231 1.00 0.52 C ATOM 692 O THR A 46 10.704 -7.192 -0.048 1.00 0.57 O ATOM 693 CB THR A 46 9.949 -4.168 -1.237 1.00 0.46 C ATOM 694 OG1 THR A 46 11.087 -3.715 -1.978 1.00 1.03 O ATOM 695 CG2 THR A 46 8.999 -3.007 -1.010 1.00 0.66 C ATOM 0 H THR A 46 11.233 -2.971 0.638 1.00 0.35 H new ATOM 0 HA THR A 46 9.487 -5.061 0.668 1.00 0.42 H new ATOM 0 HB THR A 46 9.425 -4.933 -1.810 1.00 0.46 H new ATOM 0 HG1 THR A 46 11.461 -2.918 -1.548 1.00 1.03 H new ATOM 0 HG21 THR A 46 8.716 -2.575 -1.970 1.00 0.66 H new ATOM 0 HG22 THR A 46 8.107 -3.362 -0.495 1.00 0.66 H new ATOM 0 HG23 THR A 46 9.491 -2.248 -0.402 1.00 0.66 H new ATOM 703 N ALA A 47 12.425 -5.876 -0.660 1.00 0.58 N ATOM 704 CA ALA A 47 13.300 -6.968 -1.063 1.00 0.71 C ATOM 705 C ALA A 47 13.581 -7.916 0.098 1.00 0.76 C ATOM 706 O ALA A 47 13.663 -9.132 -0.084 1.00 0.88 O ATOM 707 CB ALA A 47 14.597 -6.403 -1.619 1.00 0.78 C ATOM 0 H ALA A 47 12.851 -4.952 -0.738 1.00 0.58 H new ATOM 0 HA ALA A 47 12.796 -7.545 -1.839 1.00 0.71 H new ATOM 0 HB1 ALA A 47 15.251 -7.221 -1.920 1.00 0.78 H new ATOM 0 HB2 ALA A 47 14.380 -5.775 -2.483 1.00 0.78 H new ATOM 0 HB3 ALA A 47 15.092 -5.806 -0.853 1.00 0.78 H new ATOM 713 N GLU A 48 13.708 -7.353 1.295 1.00 0.74 N ATOM 714 CA GLU A 48 13.992 -8.144 2.485 1.00 0.85 C ATOM 715 C GLU A 48 12.810 -9.049 2.816 1.00 0.78 C ATOM 716 O GLU A 48 12.981 -10.210 3.183 1.00 0.94 O ATOM 717 CB GLU A 48 14.314 -7.228 3.668 1.00 0.94 C ATOM 718 CG GLU A 48 15.466 -6.273 3.395 1.00 1.48 C ATOM 719 CD GLU A 48 15.862 -5.467 4.613 1.00 1.79 C ATOM 720 OE1 GLU A 48 15.318 -4.362 4.809 1.00 2.51 O ATOM 721 OE2 GLU A 48 16.736 -5.932 5.373 1.00 1.88 O ATOM 0 H GLU A 48 13.619 -6.351 1.466 1.00 0.74 H new ATOM 0 HA GLU A 48 14.861 -8.771 2.287 1.00 0.85 H new ATOM 0 HB2 GLU A 48 13.426 -6.651 3.923 1.00 0.94 H new ATOM 0 HB3 GLU A 48 14.557 -7.840 4.537 1.00 0.94 H new ATOM 0 HG2 GLU A 48 16.328 -6.841 3.045 1.00 1.48 H new ATOM 0 HG3 GLU A 48 15.185 -5.593 2.591 1.00 1.48 H new ATOM 728 N VAL A 49 11.610 -8.516 2.664 1.00 0.60 N ATOM 729 CA VAL A 49 10.403 -9.293 2.896 1.00 0.55 C ATOM 730 C VAL A 49 10.135 -10.233 1.716 1.00 0.65 C ATOM 731 O VAL A 49 9.626 -11.346 1.896 1.00 0.76 O ATOM 732 CB VAL A 49 9.186 -8.378 3.141 1.00 0.47 C ATOM 733 CG1 VAL A 49 7.935 -9.196 3.402 1.00 0.57 C ATOM 734 CG2 VAL A 49 9.453 -7.445 4.309 1.00 0.59 C ATOM 0 H VAL A 49 11.445 -7.550 2.381 1.00 0.60 H new ATOM 0 HA VAL A 49 10.559 -9.892 3.793 1.00 0.55 H new ATOM 0 HB VAL A 49 9.025 -7.783 2.242 1.00 0.47 H new ATOM 0 HG11 VAL A 49 7.092 -8.527 3.572 1.00 0.57 H new ATOM 0 HG12 VAL A 49 7.728 -9.829 2.539 1.00 0.57 H new ATOM 0 HG13 VAL A 49 8.086 -9.820 4.283 1.00 0.57 H new ATOM 0 HG21 VAL A 49 8.585 -6.805 4.470 1.00 0.59 H new ATOM 0 HG22 VAL A 49 9.642 -8.032 5.208 1.00 0.59 H new ATOM 0 HG23 VAL A 49 10.323 -6.827 4.089 1.00 0.59 H new ATOM 738 N GLU A 50 10.490 -9.787 0.513 1.00 0.70 N ATOM 739 CA GLU A 50 10.352 -10.611 -0.684 1.00 0.91 C ATOM 740 C GLU A 50 11.138 -11.905 -0.556 1.00 1.07 C ATOM 741 O GLU A 50 10.589 -12.985 -0.762 1.00 1.22 O ATOM 742 CB GLU A 50 10.819 -9.878 -1.940 1.00 1.03 C ATOM 743 CG GLU A 50 9.870 -8.803 -2.427 1.00 1.14 C ATOM 744 CD GLU A 50 10.275 -8.271 -3.783 1.00 1.46 C ATOM 745 OE1 GLU A 50 9.667 -8.679 -4.794 1.00 1.81 O ATOM 746 OE2 GLU A 50 11.191 -7.425 -3.841 1.00 1.96 O ATOM 0 H GLU A 50 10.876 -8.858 0.342 1.00 0.70 H new ATOM 0 HA GLU A 50 9.289 -10.834 -0.779 1.00 0.91 H new ATOM 0 HB2 GLU A 50 11.790 -9.425 -1.741 1.00 1.03 H new ATOM 0 HB3 GLU A 50 10.964 -10.606 -2.738 1.00 1.03 H new ATOM 0 HG2 GLU A 50 8.859 -9.208 -2.482 1.00 1.14 H new ATOM 0 HG3 GLU A 50 9.847 -7.985 -1.707 1.00 1.14 H new ATOM 753 N GLN A 51 12.416 -11.789 -0.201 1.00 1.10 N ATOM 754 CA GLN A 51 13.297 -12.952 -0.124 1.00 1.31 C ATOM 755 C GLN A 51 12.826 -13.928 0.953 1.00 1.39 C ATOM 756 O GLN A 51 13.131 -15.118 0.899 1.00 1.61 O ATOM 757 CB GLN A 51 14.757 -12.519 0.120 1.00 1.34 C ATOM 758 CG GLN A 51 15.002 -11.799 1.441 1.00 1.24 C ATOM 759 CD GLN A 51 15.218 -12.747 2.606 1.00 1.70 C ATOM 760 OE1 GLN A 51 15.741 -13.849 2.441 1.00 2.25 O ATOM 761 NE2 GLN A 51 14.803 -12.331 3.790 1.00 2.01 N ATOM 0 H GLN A 51 12.864 -10.904 0.037 1.00 1.10 H new ATOM 0 HA GLN A 51 13.255 -13.470 -1.082 1.00 1.31 H new ATOM 0 HB2 GLN A 51 15.394 -13.403 0.081 1.00 1.34 H new ATOM 0 HB3 GLN A 51 15.068 -11.866 -0.696 1.00 1.34 H new ATOM 0 HG2 GLN A 51 15.874 -11.153 1.339 1.00 1.24 H new ATOM 0 HG3 GLN A 51 14.151 -11.153 1.659 1.00 1.24 H new ATOM 0 HE21 GLN A 51 14.374 -11.410 3.886 1.00 2.01 H new ATOM 0 HE22 GLN A 51 14.911 -12.931 4.608 1.00 2.01 H new ATOM 770 N ASN A 52 12.065 -13.424 1.917 1.00 1.22 N ATOM 771 CA ASN A 52 11.561 -14.252 3.007 1.00 1.34 C ATOM 772 C ASN A 52 10.211 -14.864 2.631 1.00 1.34 C ATOM 773 O ASN A 52 9.717 -15.783 3.290 1.00 1.53 O ATOM 774 CB ASN A 52 11.430 -13.410 4.280 1.00 1.26 C ATOM 775 CG ASN A 52 11.274 -14.246 5.538 1.00 1.72 C ATOM 776 OD1 ASN A 52 10.165 -14.598 5.936 1.00 2.34 O ATOM 777 ND2 ASN A 52 12.390 -14.558 6.180 1.00 2.03 N ATOM 0 H ASN A 52 11.783 -12.445 1.967 1.00 1.22 H new ATOM 0 HA ASN A 52 12.266 -15.063 3.190 1.00 1.34 H new ATOM 0 HB2 ASN A 52 12.311 -12.776 4.380 1.00 1.26 H new ATOM 0 HB3 ASN A 52 10.570 -12.748 4.183 1.00 1.26 H new ATOM 0 HD21 ASN A 52 12.348 -15.109 7.037 1.00 2.03 H new ATOM 0 HD22 ASN A 52 13.291 -14.247 5.817 1.00 2.03 H new ATOM 784 N GLY A 53 9.627 -14.352 1.552 1.00 1.22 N ATOM 785 CA GLY A 53 8.344 -14.840 1.083 1.00 1.33 C ATOM 786 C GLY A 53 7.195 -14.391 1.965 1.00 0.94 C ATOM 787 O GLY A 53 6.167 -15.062 2.048 1.00 1.13 O ATOM 0 H GLY A 53 10.025 -13.600 0.989 1.00 1.22 H new ATOM 0 HA2 GLY A 53 8.175 -14.489 0.065 1.00 1.33 H new ATOM 0 HA3 GLY A 53 8.365 -15.929 1.045 1.00 1.33 H new ATOM 791 N GLY A 54 7.355 -13.238 2.601 1.00 0.62 N ATOM 792 CA GLY A 54 6.375 -12.784 3.565 1.00 0.72 C ATOM 793 C GLY A 54 5.263 -11.950 2.963 1.00 0.50 C ATOM 794 O GLY A 54 5.456 -10.772 2.675 1.00 0.89 O ATOM 0 H GLY A 54 8.147 -12.609 2.466 1.00 0.62 H new ATOM 0 HA2 GLY A 54 5.938 -13.651 4.060 1.00 0.72 H new ATOM 0 HA3 GLY A 54 6.880 -12.199 4.334 1.00 0.72 H new ATOM 798 N LEU A 55 4.102 -12.571 2.756 1.00 0.68 N ATOM 799 CA LEU A 55 2.895 -11.836 2.384 1.00 0.60 C ATOM 800 C LEU A 55 1.689 -12.765 2.288 1.00 0.60 C ATOM 801 O LEU A 55 1.702 -13.750 1.549 1.00 0.63 O ATOM 802 CB LEU A 55 3.094 -11.104 1.040 1.00 0.64 C ATOM 803 CG LEU A 55 1.970 -10.163 0.591 1.00 0.65 C ATOM 804 CD1 LEU A 55 0.904 -10.923 -0.167 1.00 1.38 C ATOM 805 CD2 LEU A 55 1.357 -9.439 1.781 1.00 1.19 C ATOM 0 H LEU A 55 3.973 -13.579 2.840 1.00 0.68 H new ATOM 0 HA LEU A 55 2.706 -11.101 3.167 1.00 0.60 H new ATOM 0 HB2 LEU A 55 4.016 -10.526 1.101 1.00 0.64 H new ATOM 0 HB3 LEU A 55 3.239 -11.854 0.263 1.00 0.64 H new ATOM 0 HG LEU A 55 2.405 -9.419 -0.076 1.00 0.65 H new ATOM 0 HD11 LEU A 55 0.117 -10.235 -0.476 1.00 1.38 H new ATOM 0 HD12 LEU A 55 1.346 -11.388 -1.048 1.00 1.38 H new ATOM 0 HD13 LEU A 55 0.480 -11.694 0.476 1.00 1.38 H new ATOM 0 HD21 LEU A 55 0.562 -8.778 1.435 1.00 1.19 H new ATOM 0 HD22 LEU A 55 0.944 -10.169 2.478 1.00 1.19 H new ATOM 0 HD23 LEU A 55 2.125 -8.851 2.284 1.00 1.19 H new ATOM 817 N PHE A 56 0.650 -12.425 3.036 1.00 0.62 N ATOM 818 CA PHE A 56 -0.677 -12.983 2.836 1.00 0.66 C ATOM 819 C PHE A 56 -1.651 -11.834 2.637 1.00 0.63 C ATOM 820 O PHE A 56 -1.991 -11.125 3.582 1.00 0.71 O ATOM 821 CB PHE A 56 -1.104 -13.865 4.012 1.00 0.78 C ATOM 822 CG PHE A 56 -0.284 -15.115 4.144 1.00 1.13 C ATOM 823 CD1 PHE A 56 0.642 -15.242 5.168 1.00 2.02 C ATOM 824 CD2 PHE A 56 -0.440 -16.166 3.253 1.00 1.07 C ATOM 825 CE1 PHE A 56 1.396 -16.389 5.303 1.00 2.87 C ATOM 826 CE2 PHE A 56 0.315 -17.318 3.382 1.00 1.81 C ATOM 827 CZ PHE A 56 1.235 -17.433 4.370 1.00 2.74 C ATOM 0 H PHE A 56 0.705 -11.752 3.801 1.00 0.62 H new ATOM 0 HA PHE A 56 -0.669 -13.624 1.955 1.00 0.66 H new ATOM 0 HB2 PHE A 56 -1.028 -13.290 4.935 1.00 0.78 H new ATOM 0 HB3 PHE A 56 -2.152 -14.137 3.891 1.00 0.78 H new ATOM 0 HD1 PHE A 56 0.775 -14.432 5.870 1.00 2.02 H new ATOM 0 HD2 PHE A 56 -1.158 -16.084 2.450 1.00 1.07 H new ATOM 0 HE1 PHE A 56 2.102 -16.486 6.115 1.00 2.87 H new ATOM 0 HE2 PHE A 56 0.170 -18.133 2.689 1.00 1.81 H new ATOM 0 HZ PHE A 56 1.843 -18.322 4.442 1.00 2.74 H new ATOM 837 N ILE A 57 -2.066 -11.636 1.400 1.00 0.57 N ATOM 838 CA ILE A 57 -2.844 -10.462 1.028 1.00 0.53 C ATOM 839 C ILE A 57 -4.299 -10.571 1.445 1.00 0.58 C ATOM 840 O ILE A 57 -4.707 -11.569 2.036 1.00 0.68 O ATOM 841 CB ILE A 57 -2.775 -10.207 -0.483 1.00 0.51 C ATOM 842 CG1 ILE A 57 -2.486 -11.508 -1.227 1.00 0.53 C ATOM 843 CG2 ILE A 57 -1.731 -9.148 -0.803 1.00 0.52 C ATOM 844 CD1 ILE A 57 -2.299 -11.308 -2.703 1.00 0.61 C ATOM 0 H ILE A 57 -1.877 -12.276 0.629 1.00 0.57 H new ATOM 0 HA ILE A 57 -2.397 -9.624 1.563 1.00 0.53 H new ATOM 0 HB ILE A 57 -3.742 -9.832 -0.817 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -1.589 -11.967 -0.811 1.00 0.53 H new ATOM 0 HG13 ILE A 57 -3.307 -12.206 -1.061 1.00 0.53 H new ATOM 0 HG21 ILE A 57 -1.699 -8.983 -1.880 1.00 0.52 H new ATOM 0 HG22 ILE A 57 -1.992 -8.217 -0.301 1.00 0.52 H new ATOM 0 HG23 ILE A 57 -0.753 -9.485 -0.458 1.00 0.52 H new ATOM 0 HD11 ILE A 57 -2.097 -12.268 -3.178 1.00 0.61 H new ATOM 0 HD12 ILE A 57 -3.205 -10.876 -3.129 1.00 0.61 H new ATOM 0 HD13 ILE A 57 -1.460 -10.634 -2.875 1.00 0.61 H new ATOM 851 N MET A 58 -5.073 -9.534 1.125 1.00 0.56 N ATOM 852 CA MET A 58 -6.472 -9.460 1.516 1.00 0.61 C ATOM 853 C MET A 58 -7.236 -10.716 1.101 1.00 0.70 C ATOM 854 O MET A 58 -8.011 -11.268 1.882 1.00 0.79 O ATOM 855 CB MET A 58 -7.143 -8.206 0.942 1.00 0.75 C ATOM 856 CG MET A 58 -6.797 -7.867 -0.506 1.00 0.60 C ATOM 857 SD MET A 58 -8.248 -7.214 -1.379 1.00 0.77 S ATOM 858 CE MET A 58 -7.568 -6.727 -2.963 1.00 0.91 C ATOM 0 H MET A 58 -4.746 -8.729 0.591 1.00 0.56 H new ATOM 0 HA MET A 58 -6.501 -9.394 2.604 1.00 0.61 H new ATOM 0 HB2 MET A 58 -8.223 -8.329 1.018 1.00 0.75 H new ATOM 0 HB3 MET A 58 -6.874 -7.355 1.568 1.00 0.75 H new ATOM 0 HG2 MET A 58 -5.992 -7.133 -0.530 1.00 0.60 H new ATOM 0 HG3 MET A 58 -6.431 -8.758 -1.016 1.00 0.60 H new ATOM 0 HE1 MET A 58 -8.360 -6.312 -3.587 1.00 0.91 H new ATOM 0 HE2 MET A 58 -6.794 -5.975 -2.811 1.00 0.91 H new ATOM 0 HE3 MET A 58 -7.136 -7.597 -3.457 1.00 0.91 H new ATOM 868 N ASN A 59 -7.001 -11.176 -0.119 1.00 0.78 N ATOM 869 CA ASN A 59 -7.650 -12.385 -0.611 1.00 0.98 C ATOM 870 C ASN A 59 -6.809 -13.621 -0.303 1.00 0.95 C ATOM 871 O ASN A 59 -7.339 -14.681 0.020 1.00 1.12 O ATOM 872 CB ASN A 59 -7.892 -12.291 -2.122 1.00 1.17 C ATOM 873 CG ASN A 59 -6.610 -12.101 -2.922 1.00 1.50 C ATOM 874 OD1 ASN A 59 -5.656 -11.475 -2.460 1.00 2.28 O ATOM 875 ND2 ASN A 59 -6.571 -12.663 -4.116 1.00 1.66 N ATOM 0 H ASN A 59 -6.368 -10.733 -0.785 1.00 0.78 H new ATOM 0 HA ASN A 59 -8.609 -12.478 -0.101 1.00 0.98 H new ATOM 0 HB2 ASN A 59 -8.393 -13.198 -2.461 1.00 1.17 H new ATOM 0 HB3 ASN A 59 -8.566 -11.459 -2.325 1.00 1.17 H new ATOM 0 HD21 ASN A 59 -5.730 -12.586 -4.689 1.00 1.66 H new ATOM 0 HD22 ASN A 59 -7.381 -13.174 -4.466 1.00 1.66 H new ATOM 882 N GLY A 60 -5.493 -13.474 -0.406 1.00 0.86 N ATOM 883 CA GLY A 60 -4.589 -14.565 -0.094 1.00 0.96 C ATOM 884 C GLY A 60 -4.399 -15.521 -1.260 1.00 1.09 C ATOM 885 O GLY A 60 -3.465 -16.323 -1.259 1.00 1.21 O ATOM 0 H GLY A 60 -5.034 -12.613 -0.702 1.00 0.86 H new ATOM 0 HA2 GLY A 60 -3.621 -14.157 0.198 1.00 0.96 H new ATOM 0 HA3 GLY A 60 -4.974 -15.117 0.764 1.00 0.96 H new ATOM 889 N SER A 61 -5.280 -15.425 -2.255 1.00 1.15 N ATOM 890 CA SER A 61 -5.268 -16.329 -3.400 1.00 1.32 C ATOM 891 C SER A 61 -3.937 -16.259 -4.147 1.00 1.22 C ATOM 892 O SER A 61 -3.244 -17.262 -4.296 1.00 1.35 O ATOM 893 CB SER A 61 -6.408 -15.960 -4.343 1.00 1.51 C ATOM 894 OG SER A 61 -7.518 -15.456 -3.617 1.00 2.18 O ATOM 0 H SER A 61 -6.018 -14.722 -2.289 1.00 1.15 H new ATOM 0 HA SER A 61 -5.398 -17.349 -3.038 1.00 1.32 H new ATOM 0 HB2 SER A 61 -6.066 -15.213 -5.059 1.00 1.51 H new ATOM 0 HB3 SER A 61 -6.710 -16.836 -4.916 1.00 1.51 H new ATOM 0 HG SER A 61 -8.238 -15.223 -4.240 1.00 2.18 H new ATOM 900 N ARG A 62 -3.579 -15.068 -4.605 1.00 1.08 N ATOM 901 CA ARG A 62 -2.306 -14.866 -5.280 1.00 1.05 C ATOM 902 C ARG A 62 -1.279 -14.345 -4.287 1.00 1.03 C ATOM 903 O ARG A 62 -0.672 -13.289 -4.481 1.00 1.46 O ATOM 904 CB ARG A 62 -2.453 -13.899 -6.459 1.00 1.14 C ATOM 905 CG ARG A 62 -3.097 -12.572 -6.099 1.00 1.69 C ATOM 906 CD ARG A 62 -2.745 -11.502 -7.115 1.00 1.79 C ATOM 907 NE ARG A 62 -3.173 -11.853 -8.471 1.00 2.06 N ATOM 908 CZ ARG A 62 -2.616 -11.356 -9.575 1.00 2.25 C ATOM 909 NH1 ARG A 62 -1.533 -10.595 -9.488 1.00 2.23 N ATOM 910 NH2 ARG A 62 -3.113 -11.655 -10.770 1.00 2.89 N ATOM 0 H ARG A 62 -4.152 -14.228 -4.521 1.00 1.08 H new ATOM 0 HA ARG A 62 -1.967 -15.823 -5.678 1.00 1.05 H new ATOM 0 HB2 ARG A 62 -1.467 -13.708 -6.883 1.00 1.14 H new ATOM 0 HB3 ARG A 62 -3.047 -14.379 -7.236 1.00 1.14 H new ATOM 0 HG2 ARG A 62 -4.179 -12.691 -6.051 1.00 1.69 H new ATOM 0 HG3 ARG A 62 -2.766 -12.260 -5.108 1.00 1.69 H new ATOM 0 HD2 ARG A 62 -3.211 -10.561 -6.823 1.00 1.79 H new ATOM 0 HD3 ARG A 62 -1.667 -11.340 -7.108 1.00 1.79 H new ATOM 0 HE ARG A 62 -3.941 -12.516 -8.576 1.00 2.06 H new ATOM 0 HH11 ARG A 62 -1.126 -10.390 -8.576 1.00 2.23 H new ATOM 0 HH12 ARG A 62 -1.107 -10.215 -10.334 1.00 2.23 H new ATOM 0 HH21 ARG A 62 -3.925 -12.268 -10.846 1.00 2.89 H new ATOM 0 HH22 ARG A 62 -2.683 -11.272 -11.612 1.00 2.89 H new ATOM 924 N ARG A 63 -1.102 -15.099 -3.214 1.00 0.89 N ATOM 925 CA ARG A 63 -0.243 -14.693 -2.114 1.00 0.87 C ATOM 926 C ARG A 63 1.160 -14.337 -2.593 1.00 0.75 C ATOM 927 O ARG A 63 1.674 -14.909 -3.556 1.00 0.75 O ATOM 928 CB ARG A 63 -0.192 -15.782 -1.039 1.00 0.98 C ATOM 929 CG ARG A 63 0.295 -17.134 -1.534 1.00 1.56 C ATOM 930 CD ARG A 63 0.189 -18.183 -0.439 1.00 1.54 C ATOM 931 NE ARG A 63 0.720 -19.478 -0.852 1.00 2.34 N ATOM 932 CZ ARG A 63 0.393 -20.633 -0.276 1.00 2.60 C ATOM 933 NH1 ARG A 63 -0.505 -20.660 0.703 1.00 2.07 N ATOM 934 NH2 ARG A 63 0.960 -21.756 -0.689 1.00 3.59 N ATOM 0 H ARG A 63 -1.548 -16.007 -3.081 1.00 0.89 H new ATOM 0 HA ARG A 63 -0.674 -13.793 -1.676 1.00 0.87 H new ATOM 0 HB2 ARG A 63 0.460 -15.448 -0.232 1.00 0.98 H new ATOM 0 HB3 ARG A 63 -1.189 -15.902 -0.614 1.00 0.98 H new ATOM 0 HG2 ARG A 63 -0.294 -17.443 -2.398 1.00 1.56 H new ATOM 0 HG3 ARG A 63 1.330 -17.053 -1.866 1.00 1.56 H new ATOM 0 HD2 ARG A 63 0.728 -17.838 0.444 1.00 1.54 H new ATOM 0 HD3 ARG A 63 -0.856 -18.298 -0.150 1.00 1.54 H new ATOM 0 HE ARG A 63 1.381 -19.500 -1.628 1.00 2.34 H new ATOM 0 HH11 ARG A 63 -0.946 -19.795 1.015 1.00 2.07 H new ATOM 0 HH12 ARG A 63 -0.754 -21.546 1.143 1.00 2.07 H new ATOM 0 HH21 ARG A 63 1.644 -21.734 -1.445 1.00 3.59 H new ATOM 0 HH22 ARG A 63 0.713 -22.643 -0.251 1.00 3.59 H new ATOM 948 N ARG A 64 1.748 -13.365 -1.908 1.00 0.70 N ATOM 949 CA ARG A 64 3.068 -12.842 -2.230 1.00 0.62 C ATOM 950 C ARG A 64 3.127 -12.213 -3.617 1.00 0.57 C ATOM 951 O ARG A 64 4.016 -12.508 -4.413 1.00 0.77 O ATOM 952 CB ARG A 64 4.147 -13.904 -2.055 1.00 0.71 C ATOM 953 CG ARG A 64 4.966 -13.670 -0.809 1.00 0.77 C ATOM 954 CD ARG A 64 5.674 -12.333 -0.895 1.00 0.75 C ATOM 955 NE ARG A 64 7.072 -12.491 -1.302 1.00 1.06 N ATOM 956 CZ ARG A 64 7.508 -12.343 -2.558 1.00 1.34 C ATOM 957 NH1 ARG A 64 6.666 -12.001 -3.523 1.00 1.98 N ATOM 958 NH2 ARG A 64 8.783 -12.555 -2.853 1.00 1.56 N ATOM 0 H ARG A 64 1.315 -12.912 -1.103 1.00 0.70 H new ATOM 0 HA ARG A 64 3.267 -12.042 -1.516 1.00 0.62 H new ATOM 0 HB2 ARG A 64 3.683 -14.889 -2.005 1.00 0.71 H new ATOM 0 HB3 ARG A 64 4.802 -13.904 -2.926 1.00 0.71 H new ATOM 0 HG2 ARG A 64 4.321 -13.693 0.069 1.00 0.77 H new ATOM 0 HG3 ARG A 64 5.696 -14.470 -0.689 1.00 0.77 H new ATOM 0 HD2 ARG A 64 5.157 -11.691 -1.608 1.00 0.75 H new ATOM 0 HD3 ARG A 64 5.630 -11.834 0.073 1.00 0.75 H new ATOM 0 HE ARG A 64 7.756 -12.729 -0.583 1.00 1.06 H new ATOM 0 HH11 ARG A 64 5.680 -11.849 -3.310 1.00 1.98 H new ATOM 0 HH12 ARG A 64 7.004 -11.890 -4.479 1.00 1.98 H new ATOM 0 HH21 ARG A 64 9.437 -12.832 -2.121 1.00 1.56 H new ATOM 0 HH22 ARG A 64 9.110 -12.441 -3.812 1.00 1.56 H new ATOM 972 N THR A 65 2.172 -11.341 -3.881 1.00 0.44 N ATOM 973 CA THR A 65 2.200 -10.485 -5.057 1.00 0.40 C ATOM 974 C THR A 65 3.214 -9.357 -4.843 1.00 0.35 C ATOM 975 O THR A 65 3.322 -8.851 -3.731 1.00 0.33 O ATOM 976 CB THR A 65 0.796 -9.887 -5.317 1.00 0.40 C ATOM 977 OG1 THR A 65 0.851 -8.852 -6.306 1.00 0.41 O ATOM 978 CG2 THR A 65 0.200 -9.335 -4.032 1.00 0.40 C ATOM 0 H THR A 65 1.354 -11.204 -3.287 1.00 0.44 H new ATOM 0 HA THR A 65 2.493 -11.078 -5.923 1.00 0.40 H new ATOM 0 HB THR A 65 0.160 -10.691 -5.688 1.00 0.40 H new ATOM 0 HG1 THR A 65 -0.049 -8.492 -6.453 1.00 0.41 H new ATOM 0 HG21 THR A 65 -0.787 -8.920 -4.238 1.00 0.40 H new ATOM 0 HG22 THR A 65 0.111 -10.136 -3.299 1.00 0.40 H new ATOM 0 HG23 THR A 65 0.848 -8.553 -3.637 1.00 0.40 H new ATOM 986 N PRO A 66 3.968 -8.954 -5.885 1.00 0.36 N ATOM 987 CA PRO A 66 5.046 -7.942 -5.781 1.00 0.35 C ATOM 988 C PRO A 66 4.617 -6.700 -5.014 1.00 0.27 C ATOM 989 O PRO A 66 5.192 -6.380 -3.973 1.00 0.26 O ATOM 990 CB PRO A 66 5.332 -7.587 -7.251 1.00 0.42 C ATOM 991 CG PRO A 66 4.182 -8.165 -8.010 1.00 0.44 C ATOM 992 CD PRO A 66 3.821 -9.409 -7.267 1.00 0.43 C ATOM 0 HA PRO A 66 5.909 -8.324 -5.235 1.00 0.35 H new ATOM 0 HB2 PRO A 66 5.398 -6.508 -7.392 1.00 0.42 H new ATOM 0 HB3 PRO A 66 6.280 -8.011 -7.584 1.00 0.42 H new ATOM 0 HG2 PRO A 66 3.344 -7.470 -8.048 1.00 0.44 H new ATOM 0 HG3 PRO A 66 4.459 -8.386 -9.041 1.00 0.44 H new ATOM 0 HD2 PRO A 66 2.807 -9.742 -7.487 1.00 0.43 H new ATOM 0 HD3 PRO A 66 4.487 -10.239 -7.502 1.00 0.43 H new ATOM 1000 N GLY A 67 3.579 -6.034 -5.505 1.00 0.25 N ATOM 1001 CA GLY A 67 3.058 -4.872 -4.818 1.00 0.21 C ATOM 1002 C GLY A 67 2.536 -5.240 -3.453 1.00 0.20 C ATOM 1003 O GLY A 67 2.747 -4.528 -2.478 1.00 0.23 O ATOM 0 H GLY A 67 3.090 -6.279 -6.366 1.00 0.25 H new ATOM 0 HA2 GLY A 67 3.842 -4.121 -4.721 1.00 0.21 H new ATOM 0 HA3 GLY A 67 2.259 -4.424 -5.408 1.00 0.21 H new ATOM 1007 N GLY A 68 1.893 -6.395 -3.396 1.00 0.23 N ATOM 1008 CA GLY A 68 1.344 -6.908 -2.159 1.00 0.28 C ATOM 1009 C GLY A 68 2.387 -7.049 -1.064 1.00 0.27 C ATOM 1010 O GLY A 68 2.082 -6.889 0.114 1.00 0.30 O ATOM 0 H GLY A 68 1.739 -6.998 -4.204 1.00 0.23 H new ATOM 0 HA2 GLY A 68 0.551 -6.243 -1.816 1.00 0.28 H new ATOM 0 HA3 GLY A 68 0.887 -7.880 -2.346 1.00 0.28 H new ATOM 1014 N VAL A 69 3.622 -7.343 -1.449 1.00 0.27 N ATOM 1015 CA VAL A 69 4.706 -7.487 -0.487 1.00 0.27 C ATOM 1016 C VAL A 69 4.993 -6.143 0.177 1.00 0.24 C ATOM 1017 O VAL A 69 5.269 -6.071 1.374 1.00 0.23 O ATOM 1018 CB VAL A 69 5.994 -8.025 -1.143 1.00 0.31 C ATOM 1019 CG1 VAL A 69 6.988 -8.440 -0.084 1.00 0.64 C ATOM 1020 CG2 VAL A 69 5.699 -9.203 -2.047 1.00 0.74 C ATOM 0 H VAL A 69 3.898 -7.486 -2.421 1.00 0.27 H new ATOM 0 HA VAL A 69 4.385 -8.212 0.261 1.00 0.27 H new ATOM 0 HB VAL A 69 6.418 -7.222 -1.746 1.00 0.31 H new ATOM 0 HG11 VAL A 69 7.892 -8.818 -0.562 1.00 0.64 H new ATOM 0 HG12 VAL A 69 7.238 -7.580 0.537 1.00 0.64 H new ATOM 0 HG13 VAL A 69 6.552 -9.222 0.538 1.00 0.64 H new ATOM 0 HG21 VAL A 69 6.627 -9.560 -2.494 1.00 0.74 H new ATOM 0 HG22 VAL A 69 5.246 -10.005 -1.464 1.00 0.74 H new ATOM 0 HG23 VAL A 69 5.012 -8.894 -2.835 1.00 0.74 H new ATOM 1024 N PHE A 70 4.918 -5.078 -0.605 1.00 0.22 N ATOM 1025 CA PHE A 70 4.994 -3.734 -0.058 1.00 0.20 C ATOM 1026 C PHE A 70 3.770 -3.456 0.812 1.00 0.20 C ATOM 1027 O PHE A 70 3.875 -2.807 1.850 1.00 0.20 O ATOM 1028 CB PHE A 70 5.112 -2.703 -1.182 1.00 0.22 C ATOM 1029 CG PHE A 70 4.951 -1.275 -0.737 1.00 0.20 C ATOM 1030 CD1 PHE A 70 3.695 -0.779 -0.425 1.00 0.23 C ATOM 1031 CD2 PHE A 70 6.047 -0.432 -0.617 1.00 0.21 C ATOM 1032 CE1 PHE A 70 3.527 0.514 -0.002 1.00 0.26 C ATOM 1033 CE2 PHE A 70 5.885 0.873 -0.197 1.00 0.24 C ATOM 1034 CZ PHE A 70 4.625 1.347 0.114 1.00 0.25 C ATOM 0 H PHE A 70 4.805 -5.118 -1.618 1.00 0.22 H new ATOM 0 HA PHE A 70 5.886 -3.655 0.564 1.00 0.20 H new ATOM 0 HB2 PHE A 70 6.086 -2.814 -1.659 1.00 0.22 H new ATOM 0 HB3 PHE A 70 4.359 -2.922 -1.939 1.00 0.22 H new ATOM 0 HD1 PHE A 70 2.833 -1.423 -0.517 1.00 0.23 H new ATOM 0 HD2 PHE A 70 7.034 -0.800 -0.854 1.00 0.21 H new ATOM 0 HE1 PHE A 70 2.541 0.881 0.240 1.00 0.26 H new ATOM 0 HE2 PHE A 70 6.743 1.523 -0.112 1.00 0.24 H new ATOM 0 HZ PHE A 70 4.498 2.366 0.447 1.00 0.25 H new ATOM 1044 N LEU A 71 2.602 -3.935 0.384 1.00 0.21 N ATOM 1045 CA LEU A 71 1.389 -3.792 1.188 1.00 0.24 C ATOM 1046 C LEU A 71 1.628 -4.427 2.560 1.00 0.24 C ATOM 1047 O LEU A 71 1.115 -3.962 3.576 1.00 0.26 O ATOM 1048 CB LEU A 71 0.159 -4.460 0.545 1.00 0.31 C ATOM 1049 CG LEU A 71 -0.438 -3.867 -0.750 1.00 0.28 C ATOM 1050 CD1 LEU A 71 -1.735 -3.146 -0.469 1.00 0.32 C ATOM 1051 CD2 LEU A 71 0.517 -2.928 -1.448 1.00 0.30 C ATOM 0 H LEU A 71 2.470 -4.420 -0.504 1.00 0.21 H new ATOM 0 HA LEU A 71 1.178 -2.726 1.268 1.00 0.24 H new ATOM 0 HB2 LEU A 71 0.421 -5.498 0.338 1.00 0.31 H new ATOM 0 HB3 LEU A 71 -0.633 -4.474 1.293 1.00 0.31 H new ATOM 0 HG LEU A 71 -0.627 -4.711 -1.414 1.00 0.28 H new ATOM 0 HD11 LEU A 71 -2.133 -2.738 -1.398 1.00 0.32 H new ATOM 0 HD12 LEU A 71 -2.454 -3.844 -0.041 1.00 0.32 H new ATOM 0 HD13 LEU A 71 -1.555 -2.334 0.236 1.00 0.32 H new ATOM 0 HD21 LEU A 71 0.049 -2.539 -2.352 1.00 0.30 H new ATOM 0 HD22 LEU A 71 0.765 -2.101 -0.783 1.00 0.30 H new ATOM 0 HD23 LEU A 71 1.427 -3.466 -1.713 1.00 0.30 H new ATOM 1063 N ASN A 72 2.412 -5.506 2.566 1.00 0.24 N ATOM 1064 CA ASN A 72 2.806 -6.176 3.801 1.00 0.27 C ATOM 1065 C ASN A 72 3.560 -5.215 4.699 1.00 0.26 C ATOM 1066 O ASN A 72 3.353 -5.194 5.907 1.00 0.34 O ATOM 1067 CB ASN A 72 3.671 -7.409 3.503 1.00 0.31 C ATOM 1068 CG ASN A 72 3.737 -8.363 4.678 1.00 0.46 C ATOM 1069 OD1 ASN A 72 2.871 -9.223 4.829 1.00 1.08 O ATOM 1070 ND2 ASN A 72 4.761 -8.227 5.506 1.00 0.67 N ATOM 0 H ASN A 72 2.788 -5.936 1.721 1.00 0.24 H new ATOM 0 HA ASN A 72 1.903 -6.507 4.313 1.00 0.27 H new ATOM 0 HB2 ASN A 72 3.268 -7.932 2.636 1.00 0.31 H new ATOM 0 HB3 ASN A 72 4.679 -7.088 3.241 1.00 0.31 H new ATOM 0 HD21 ASN A 72 4.855 -8.850 6.308 1.00 0.67 H new ATOM 0 HD22 ASN A 72 5.456 -7.499 5.342 1.00 0.67 H new ATOM 1077 N LEU A 73 4.393 -4.391 4.082 1.00 0.23 N ATOM 1078 CA LEU A 73 5.210 -3.417 4.792 1.00 0.25 C ATOM 1079 C LEU A 73 4.373 -2.459 5.605 1.00 0.36 C ATOM 1080 O LEU A 73 4.785 -2.029 6.673 1.00 0.46 O ATOM 1081 CB LEU A 73 6.047 -2.626 3.805 1.00 0.23 C ATOM 1082 CG LEU A 73 7.064 -3.460 3.062 1.00 0.20 C ATOM 1083 CD1 LEU A 73 7.906 -2.592 2.159 1.00 0.35 C ATOM 1084 CD2 LEU A 73 7.916 -4.198 4.065 1.00 0.27 C ATOM 0 H LEU A 73 4.522 -4.379 3.070 1.00 0.23 H new ATOM 0 HA LEU A 73 5.852 -3.972 5.476 1.00 0.25 H new ATOM 0 HB2 LEU A 73 5.385 -2.148 3.083 1.00 0.23 H new ATOM 0 HB3 LEU A 73 6.565 -1.829 4.339 1.00 0.23 H new ATOM 0 HG LEU A 73 6.554 -4.185 2.428 1.00 0.20 H new ATOM 0 HD11 LEU A 73 8.632 -3.211 1.633 1.00 0.35 H new ATOM 0 HD12 LEU A 73 7.264 -2.090 1.435 1.00 0.35 H new ATOM 0 HD13 LEU A 73 8.430 -1.846 2.757 1.00 0.35 H new ATOM 0 HD21 LEU A 73 8.654 -4.804 3.540 1.00 0.27 H new ATOM 0 HD22 LEU A 73 8.426 -3.480 4.707 1.00 0.27 H new ATOM 0 HD23 LEU A 73 7.284 -4.844 4.674 1.00 0.27 H new ATOM 1096 N LEU A 74 3.209 -2.118 5.090 1.00 0.41 N ATOM 1097 CA LEU A 74 2.322 -1.203 5.780 1.00 0.58 C ATOM 1098 C LEU A 74 1.974 -1.725 7.172 1.00 0.66 C ATOM 1099 O LEU A 74 2.073 -0.999 8.149 1.00 0.80 O ATOM 1100 CB LEU A 74 1.069 -0.963 4.940 1.00 0.63 C ATOM 1101 CG LEU A 74 1.304 -0.129 3.680 1.00 0.49 C ATOM 1102 CD1 LEU A 74 0.282 -0.463 2.611 1.00 1.08 C ATOM 1103 CD2 LEU A 74 1.241 1.352 4.012 1.00 0.78 C ATOM 0 H LEU A 74 2.855 -2.460 4.197 1.00 0.41 H new ATOM 0 HA LEU A 74 2.832 -0.249 5.914 1.00 0.58 H new ATOM 0 HB2 LEU A 74 0.650 -1.927 4.650 1.00 0.63 H new ATOM 0 HB3 LEU A 74 0.322 -0.464 5.558 1.00 0.63 H new ATOM 0 HG LEU A 74 2.295 -0.368 3.295 1.00 0.49 H new ATOM 0 HD11 LEU A 74 0.471 0.143 1.725 1.00 1.08 H new ATOM 0 HD12 LEU A 74 0.359 -1.519 2.351 1.00 1.08 H new ATOM 0 HD13 LEU A 74 -0.719 -0.254 2.987 1.00 1.08 H new ATOM 0 HD21 LEU A 74 1.410 1.935 3.107 1.00 0.78 H new ATOM 0 HD22 LEU A 74 0.259 1.592 4.420 1.00 0.78 H new ATOM 0 HD23 LEU A 74 2.009 1.593 4.747 1.00 0.78 H new ATOM 1115 N LYS A 75 1.610 -2.993 7.278 1.00 0.66 N ATOM 1116 CA LYS A 75 1.246 -3.545 8.580 1.00 0.82 C ATOM 1117 C LYS A 75 2.441 -4.195 9.275 1.00 0.77 C ATOM 1118 O LYS A 75 2.356 -4.591 10.436 1.00 0.95 O ATOM 1119 CB LYS A 75 0.102 -4.542 8.458 1.00 1.04 C ATOM 1120 CG LYS A 75 0.418 -5.683 7.538 1.00 0.81 C ATOM 1121 CD LYS A 75 -0.711 -5.923 6.570 1.00 0.71 C ATOM 1122 CE LYS A 75 -0.164 -6.371 5.245 1.00 0.70 C ATOM 1123 NZ LYS A 75 0.414 -7.741 5.324 1.00 1.93 N ATOM 0 H LYS A 75 1.558 -3.650 6.499 1.00 0.66 H new ATOM 0 HA LYS A 75 0.913 -2.709 9.195 1.00 0.82 H new ATOM 0 HB2 LYS A 75 -0.138 -4.934 9.446 1.00 1.04 H new ATOM 0 HB3 LYS A 75 -0.787 -4.025 8.096 1.00 1.04 H new ATOM 0 HG2 LYS A 75 1.334 -5.469 6.988 1.00 0.81 H new ATOM 0 HG3 LYS A 75 0.600 -6.586 8.121 1.00 0.81 H new ATOM 0 HD2 LYS A 75 -1.388 -6.679 6.968 1.00 0.71 H new ATOM 0 HD3 LYS A 75 -1.293 -5.010 6.443 1.00 0.71 H new ATOM 0 HE2 LYS A 75 -0.958 -6.353 4.498 1.00 0.70 H new ATOM 0 HE3 LYS A 75 0.602 -5.671 4.912 1.00 0.70 H new ATOM 0 HZ1 LYS A 75 0.751 -8.030 4.384 1.00 1.93 H new ATOM 0 HZ2 LYS A 75 1.210 -7.744 5.993 1.00 1.93 H new ATOM 0 HZ3 LYS A 75 -0.315 -8.407 5.650 1.00 1.93 H new ATOM 1137 N ASN A 76 3.547 -4.305 8.556 1.00 0.64 N ATOM 1138 CA ASN A 76 4.756 -4.937 9.089 1.00 0.69 C ATOM 1139 C ASN A 76 5.747 -3.891 9.582 1.00 0.61 C ATOM 1140 O ASN A 76 6.649 -4.200 10.362 1.00 0.79 O ATOM 1141 CB ASN A 76 5.405 -5.826 8.016 1.00 0.81 C ATOM 1142 CG ASN A 76 6.725 -6.445 8.448 1.00 1.22 C ATOM 1143 OD1 ASN A 76 7.797 -5.884 8.211 1.00 1.80 O ATOM 1144 ND2 ASN A 76 6.657 -7.608 9.076 1.00 2.12 N ATOM 0 H ASN A 76 3.638 -3.965 7.598 1.00 0.64 H new ATOM 0 HA ASN A 76 4.471 -5.558 9.938 1.00 0.69 H new ATOM 0 HB2 ASN A 76 4.711 -6.623 7.749 1.00 0.81 H new ATOM 0 HB3 ASN A 76 5.570 -5.232 7.117 1.00 0.81 H new ATOM 0 HD21 ASN A 76 7.512 -8.073 9.383 1.00 2.12 H new ATOM 0 HD22 ASN A 76 5.750 -8.040 9.253 1.00 2.12 H new ATOM 1151 N THR A 77 5.567 -2.652 9.139 1.00 0.54 N ATOM 1152 CA THR A 77 6.485 -1.579 9.480 1.00 0.60 C ATOM 1153 C THR A 77 6.573 -1.395 10.995 1.00 0.56 C ATOM 1154 O THR A 77 5.564 -1.248 11.690 1.00 0.61 O ATOM 1155 CB THR A 77 6.100 -0.253 8.792 1.00 0.75 C ATOM 1156 OG1 THR A 77 7.080 0.752 9.078 1.00 0.94 O ATOM 1157 CG2 THR A 77 4.725 0.225 9.228 1.00 0.78 C ATOM 0 H THR A 77 4.791 -2.368 8.541 1.00 0.54 H new ATOM 0 HA THR A 77 7.469 -1.867 9.109 1.00 0.60 H new ATOM 0 HB THR A 77 6.067 -0.433 7.718 1.00 0.75 H new ATOM 0 HG1 THR A 77 7.020 1.467 8.410 1.00 0.94 H new ATOM 0 HG21 THR A 77 4.488 1.161 8.723 1.00 0.78 H new ATOM 0 HG22 THR A 77 3.979 -0.526 8.968 1.00 0.78 H new ATOM 0 HG23 THR A 77 4.720 0.383 10.306 1.00 0.78 H new ATOM 1165 N PRO A 78 7.798 -1.431 11.523 1.00 0.63 N ATOM 1166 CA PRO A 78 8.051 -1.459 12.961 1.00 0.67 C ATOM 1167 C PRO A 78 7.803 -0.113 13.645 1.00 0.70 C ATOM 1168 O PRO A 78 7.489 -0.062 14.837 1.00 0.84 O ATOM 1169 CB PRO A 78 9.537 -1.851 13.056 1.00 0.92 C ATOM 1170 CG PRO A 78 9.964 -2.189 11.662 1.00 1.00 C ATOM 1171 CD PRO A 78 9.053 -1.431 10.760 1.00 0.84 C ATOM 0 HA PRO A 78 7.377 -2.148 13.470 1.00 0.67 H new ATOM 0 HB2 PRO A 78 10.132 -1.031 13.458 1.00 0.92 H new ATOM 0 HB3 PRO A 78 9.674 -2.702 13.723 1.00 0.92 H new ATOM 0 HG2 PRO A 78 11.003 -1.908 11.493 1.00 1.00 H new ATOM 0 HG3 PRO A 78 9.890 -3.261 11.480 1.00 1.00 H new ATOM 0 HD2 PRO A 78 9.415 -0.421 10.570 1.00 0.84 H new ATOM 0 HD3 PRO A 78 8.941 -1.917 9.791 1.00 0.84 H new ATOM 1179 N SER A 79 7.922 0.969 12.885 1.00 0.75 N ATOM 1180 CA SER A 79 7.911 2.309 13.459 1.00 0.96 C ATOM 1181 C SER A 79 6.554 3.001 13.287 1.00 0.91 C ATOM 1182 O SER A 79 6.356 4.118 13.766 1.00 1.06 O ATOM 1183 CB SER A 79 9.025 3.150 12.813 1.00 1.23 C ATOM 1184 OG SER A 79 9.164 4.411 13.448 1.00 1.49 O ATOM 0 H SER A 79 8.027 0.945 11.871 1.00 0.75 H new ATOM 0 HA SER A 79 8.089 2.218 14.531 1.00 0.96 H new ATOM 0 HB2 SER A 79 9.969 2.608 12.869 1.00 1.23 H new ATOM 0 HB3 SER A 79 8.804 3.297 11.756 1.00 1.23 H new ATOM 0 HG SER A 79 8.324 4.647 13.894 1.00 1.49 H new ATOM 1190 N ILE A 80 5.614 2.348 12.620 1.00 0.76 N ATOM 1191 CA ILE A 80 4.323 2.973 12.351 1.00 0.76 C ATOM 1192 C ILE A 80 3.188 2.175 12.988 1.00 0.74 C ATOM 1193 O ILE A 80 3.173 0.947 12.932 1.00 0.67 O ATOM 1194 CB ILE A 80 4.079 3.122 10.836 1.00 0.69 C ATOM 1195 CG1 ILE A 80 5.303 3.765 10.173 1.00 0.89 C ATOM 1196 CG2 ILE A 80 2.835 3.963 10.578 1.00 0.76 C ATOM 1197 CD1 ILE A 80 5.244 3.785 8.663 1.00 1.21 C ATOM 0 H ILE A 80 5.716 1.400 12.259 1.00 0.76 H new ATOM 0 HA ILE A 80 4.343 3.968 12.795 1.00 0.76 H new ATOM 0 HB ILE A 80 3.921 2.133 10.405 1.00 0.69 H new ATOM 0 HG12 ILE A 80 5.405 4.788 10.536 1.00 0.89 H new ATOM 0 HG13 ILE A 80 6.198 3.226 10.484 1.00 0.89 H new ATOM 0 HG21 ILE A 80 2.677 4.059 9.504 1.00 0.76 H new ATOM 0 HG22 ILE A 80 1.969 3.480 11.031 1.00 0.76 H new ATOM 0 HG23 ILE A 80 2.968 4.953 11.015 1.00 0.76 H new ATOM 0 HD11 ILE A 80 6.145 4.255 8.270 1.00 1.21 H new ATOM 0 HD12 ILE A 80 5.174 2.764 8.288 1.00 1.21 H new ATOM 0 HD13 ILE A 80 4.370 4.350 8.340 1.00 1.21 H new ATOM 1204 N SER A 81 2.248 2.883 13.603 1.00 0.90 N ATOM 1205 CA SER A 81 1.144 2.250 14.308 1.00 1.01 C ATOM 1206 C SER A 81 0.003 1.923 13.339 1.00 0.88 C ATOM 1207 O SER A 81 -0.167 2.579 12.307 1.00 0.74 O ATOM 1208 CB SER A 81 0.656 3.177 15.422 1.00 1.26 C ATOM 1209 OG SER A 81 -0.196 2.494 16.322 1.00 1.79 O ATOM 0 H SER A 81 2.230 3.903 13.626 1.00 0.90 H new ATOM 0 HA SER A 81 1.489 1.314 14.747 1.00 1.01 H new ATOM 0 HB2 SER A 81 1.512 3.581 15.963 1.00 1.26 H new ATOM 0 HB3 SER A 81 0.125 4.024 14.987 1.00 1.26 H new ATOM 0 HG SER A 81 -0.491 3.110 17.024 1.00 1.79 H new ATOM 1215 N GLU A 82 -0.784 0.905 13.705 1.00 0.99 N ATOM 1216 CA GLU A 82 -1.749 0.284 12.797 1.00 0.96 C ATOM 1217 C GLU A 82 -2.850 1.238 12.359 1.00 0.84 C ATOM 1218 O GLU A 82 -3.381 1.094 11.267 1.00 0.75 O ATOM 1219 CB GLU A 82 -2.400 -0.941 13.440 1.00 1.22 C ATOM 1220 CG GLU A 82 -1.429 -2.038 13.840 1.00 1.50 C ATOM 1221 CD GLU A 82 -2.144 -3.286 14.318 1.00 2.29 C ATOM 1222 OE1 GLU A 82 -1.967 -4.358 13.699 1.00 2.89 O ATOM 1223 OE2 GLU A 82 -2.908 -3.203 15.304 1.00 2.75 O ATOM 0 H GLU A 82 -0.768 0.491 14.637 1.00 0.99 H new ATOM 0 HA GLU A 82 -1.176 -0.009 11.917 1.00 0.96 H new ATOM 0 HB2 GLU A 82 -2.950 -0.621 14.325 1.00 1.22 H new ATOM 0 HB3 GLU A 82 -3.129 -1.356 12.744 1.00 1.22 H new ATOM 0 HG2 GLU A 82 -0.794 -2.288 12.990 1.00 1.50 H new ATOM 0 HG3 GLU A 82 -0.774 -1.671 14.630 1.00 1.50 H new ATOM 1230 N GLU A 83 -3.208 2.192 13.207 1.00 0.90 N ATOM 1231 CA GLU A 83 -4.304 3.102 12.893 1.00 0.87 C ATOM 1232 C GLU A 83 -3.941 4.036 11.743 1.00 0.74 C ATOM 1233 O GLU A 83 -4.787 4.363 10.907 1.00 0.73 O ATOM 1234 CB GLU A 83 -4.717 3.896 14.127 1.00 1.05 C ATOM 1235 CG GLU A 83 -5.281 3.017 15.229 1.00 1.30 C ATOM 1236 CD GLU A 83 -5.991 3.807 16.303 1.00 1.60 C ATOM 1237 OE1 GLU A 83 -5.364 4.702 16.901 1.00 1.98 O ATOM 1238 OE2 GLU A 83 -7.180 3.528 16.561 1.00 2.06 O ATOM 0 H GLU A 83 -2.762 2.356 14.109 1.00 0.90 H new ATOM 0 HA GLU A 83 -5.154 2.499 12.573 1.00 0.87 H new ATOM 0 HB2 GLU A 83 -3.854 4.441 14.509 1.00 1.05 H new ATOM 0 HB3 GLU A 83 -5.463 4.639 13.843 1.00 1.05 H new ATOM 0 HG2 GLU A 83 -5.975 2.298 14.794 1.00 1.30 H new ATOM 0 HG3 GLU A 83 -4.471 2.445 15.681 1.00 1.30 H new ATOM 1245 N GLN A 84 -2.686 4.463 11.701 1.00 0.73 N ATOM 1246 CA GLN A 84 -2.190 5.260 10.586 1.00 0.68 C ATOM 1247 C GLN A 84 -2.186 4.416 9.319 1.00 0.56 C ATOM 1248 O GLN A 84 -2.479 4.895 8.224 1.00 0.59 O ATOM 1249 CB GLN A 84 -0.774 5.782 10.865 1.00 0.76 C ATOM 1250 CG GLN A 84 -0.709 6.944 11.851 1.00 1.11 C ATOM 1251 CD GLN A 84 -1.138 6.573 13.262 1.00 1.60 C ATOM 1252 OE1 GLN A 84 -0.977 5.431 13.701 1.00 2.31 O ATOM 1253 NE2 GLN A 84 -1.693 7.538 13.980 1.00 2.28 N ATOM 0 H GLN A 84 -1.993 4.271 12.425 1.00 0.73 H new ATOM 0 HA GLN A 84 -2.850 6.118 10.457 1.00 0.68 H new ATOM 0 HB2 GLN A 84 -0.168 4.962 11.250 1.00 0.76 H new ATOM 0 HB3 GLN A 84 -0.324 6.096 9.923 1.00 0.76 H new ATOM 0 HG2 GLN A 84 0.311 7.328 11.880 1.00 1.11 H new ATOM 0 HG3 GLN A 84 -1.344 7.753 11.488 1.00 1.11 H new ATOM 0 HE21 GLN A 84 -1.808 8.469 13.580 1.00 2.28 H new ATOM 0 HE22 GLN A 84 -2.005 7.350 14.933 1.00 2.28 H new ATOM 1262 N ILE A 85 -1.875 3.145 9.499 1.00 0.50 N ATOM 1263 CA ILE A 85 -1.778 2.195 8.403 1.00 0.45 C ATOM 1264 C ILE A 85 -3.160 1.788 7.885 1.00 0.43 C ATOM 1265 O ILE A 85 -3.357 1.604 6.680 1.00 0.43 O ATOM 1266 CB ILE A 85 -0.998 0.951 8.871 1.00 0.46 C ATOM 1267 CG1 ILE A 85 0.430 1.345 9.254 1.00 0.51 C ATOM 1268 CG2 ILE A 85 -0.988 -0.127 7.805 1.00 0.47 C ATOM 1269 CD1 ILE A 85 1.236 1.903 8.099 1.00 1.41 C ATOM 0 H ILE A 85 -1.681 2.739 10.415 1.00 0.50 H new ATOM 0 HA ILE A 85 -1.248 2.675 7.580 1.00 0.45 H new ATOM 0 HB ILE A 85 -1.500 0.541 9.747 1.00 0.46 H new ATOM 0 HG12 ILE A 85 0.392 2.087 10.051 1.00 0.51 H new ATOM 0 HG13 ILE A 85 0.944 0.472 9.656 1.00 0.51 H new ATOM 0 HG21 ILE A 85 -0.430 -0.991 8.166 1.00 0.47 H new ATOM 0 HG22 ILE A 85 -2.012 -0.425 7.579 1.00 0.47 H new ATOM 0 HG23 ILE A 85 -0.515 0.259 6.902 1.00 0.47 H new ATOM 0 HD11 ILE A 85 2.237 2.160 8.445 1.00 1.41 H new ATOM 0 HD12 ILE A 85 1.306 1.155 7.309 1.00 1.41 H new ATOM 0 HD13 ILE A 85 0.746 2.796 7.711 1.00 1.41 H new ATOM 1276 N LYS A 86 -4.109 1.669 8.809 1.00 0.47 N ATOM 1277 CA LYS A 86 -5.487 1.279 8.504 1.00 0.50 C ATOM 1278 C LYS A 86 -6.078 2.139 7.390 1.00 0.41 C ATOM 1279 O LYS A 86 -6.792 1.645 6.517 1.00 0.47 O ATOM 1280 CB LYS A 86 -6.342 1.414 9.770 1.00 0.59 C ATOM 1281 CG LYS A 86 -7.786 0.970 9.601 1.00 0.71 C ATOM 1282 CD LYS A 86 -8.653 1.402 10.776 1.00 0.92 C ATOM 1283 CE LYS A 86 -8.256 0.704 12.067 1.00 1.90 C ATOM 1284 NZ LYS A 86 -8.494 -0.762 12.003 1.00 2.45 N ATOM 0 H LYS A 86 -3.944 1.842 9.801 1.00 0.47 H new ATOM 0 HA LYS A 86 -5.483 0.244 8.161 1.00 0.50 H new ATOM 0 HB2 LYS A 86 -5.885 0.828 10.567 1.00 0.59 H new ATOM 0 HB3 LYS A 86 -6.330 2.455 10.093 1.00 0.59 H new ATOM 0 HG2 LYS A 86 -8.189 1.389 8.679 1.00 0.71 H new ATOM 0 HG3 LYS A 86 -7.823 -0.115 9.502 1.00 0.71 H new ATOM 0 HD2 LYS A 86 -8.572 2.481 10.908 1.00 0.92 H new ATOM 0 HD3 LYS A 86 -9.698 1.185 10.554 1.00 0.92 H new ATOM 0 HE2 LYS A 86 -7.202 0.892 12.271 1.00 1.90 H new ATOM 0 HE3 LYS A 86 -8.822 1.127 12.897 1.00 1.90 H new ATOM 0 HZ1 LYS A 86 -8.423 -1.167 12.958 1.00 2.45 H new ATOM 0 HZ2 LYS A 86 -9.444 -0.943 11.620 1.00 2.45 H new ATOM 0 HZ3 LYS A 86 -7.782 -1.203 11.386 1.00 2.45 H new ATOM 1298 N ASP A 87 -5.764 3.423 7.419 1.00 0.34 N ATOM 1299 CA ASP A 87 -6.317 4.365 6.457 1.00 0.31 C ATOM 1300 C ASP A 87 -5.727 4.157 5.071 1.00 0.29 C ATOM 1301 O ASP A 87 -6.407 4.337 4.064 1.00 0.35 O ATOM 1302 CB ASP A 87 -6.062 5.806 6.915 1.00 0.34 C ATOM 1303 CG ASP A 87 -6.517 6.843 5.901 1.00 1.00 C ATOM 1304 OD1 ASP A 87 -7.706 7.227 5.930 1.00 1.09 O ATOM 1305 OD2 ASP A 87 -5.686 7.299 5.087 1.00 1.70 O ATOM 0 H ASP A 87 -5.128 3.839 8.099 1.00 0.34 H new ATOM 0 HA ASP A 87 -7.391 4.186 6.402 1.00 0.31 H new ATOM 0 HB2 ASP A 87 -6.579 5.978 7.859 1.00 0.34 H new ATOM 0 HB3 ASP A 87 -4.997 5.937 7.107 1.00 0.34 H new ATOM 1310 N ILE A 88 -4.472 3.753 5.031 1.00 0.26 N ATOM 1311 CA ILE A 88 -3.726 3.702 3.789 1.00 0.27 C ATOM 1312 C ILE A 88 -4.281 2.663 2.813 1.00 0.31 C ATOM 1313 O ILE A 88 -4.823 3.014 1.769 1.00 0.36 O ATOM 1314 CB ILE A 88 -2.236 3.415 4.049 1.00 0.28 C ATOM 1315 CG1 ILE A 88 -1.673 4.435 5.041 1.00 0.36 C ATOM 1316 CG2 ILE A 88 -1.461 3.458 2.742 1.00 0.38 C ATOM 1317 CD1 ILE A 88 -0.232 4.186 5.423 1.00 0.42 C ATOM 0 H ILE A 88 -3.945 3.453 5.851 1.00 0.26 H new ATOM 0 HA ILE A 88 -3.833 4.685 3.330 1.00 0.27 H new ATOM 0 HB ILE A 88 -2.134 2.419 4.479 1.00 0.28 H new ATOM 0 HG12 ILE A 88 -1.757 5.432 4.609 1.00 0.36 H new ATOM 0 HG13 ILE A 88 -2.285 4.426 5.943 1.00 0.36 H new ATOM 0 HG21 ILE A 88 -0.408 3.254 2.936 1.00 0.38 H new ATOM 0 HG22 ILE A 88 -1.857 2.706 2.060 1.00 0.38 H new ATOM 0 HG23 ILE A 88 -1.562 4.445 2.292 1.00 0.38 H new ATOM 0 HD11 ILE A 88 0.095 4.950 6.128 1.00 0.42 H new ATOM 0 HD12 ILE A 88 -0.143 3.203 5.886 1.00 0.42 H new ATOM 0 HD13 ILE A 88 0.393 4.225 4.531 1.00 0.42 H new ATOM 1324 N PHE A 89 -4.155 1.389 3.154 1.00 0.33 N ATOM 1325 CA PHE A 89 -4.466 0.321 2.204 1.00 0.41 C ATOM 1326 C PHE A 89 -5.702 -0.477 2.608 1.00 0.44 C ATOM 1327 O PHE A 89 -6.403 -1.015 1.758 1.00 0.52 O ATOM 1328 CB PHE A 89 -3.260 -0.617 2.043 1.00 0.45 C ATOM 1329 CG PHE A 89 -2.896 -1.416 3.274 1.00 0.32 C ATOM 1330 CD1 PHE A 89 -2.348 -2.685 3.177 1.00 0.57 C ATOM 1331 CD2 PHE A 89 -3.120 -0.892 4.532 1.00 0.56 C ATOM 1332 CE1 PHE A 89 -2.026 -3.407 4.304 1.00 0.75 C ATOM 1333 CE2 PHE A 89 -2.801 -1.614 5.666 1.00 0.49 C ATOM 1334 CZ PHE A 89 -2.200 -2.895 5.520 1.00 0.51 C ATOM 0 H PHE A 89 -3.843 1.067 4.070 1.00 0.33 H new ATOM 0 HA PHE A 89 -4.687 0.797 1.249 1.00 0.41 H new ATOM 0 HB2 PHE A 89 -3.466 -1.310 1.227 1.00 0.45 H new ATOM 0 HB3 PHE A 89 -2.395 -0.023 1.746 1.00 0.45 H new ATOM 0 HD1 PHE A 89 -2.171 -3.114 2.202 1.00 0.57 H new ATOM 0 HD2 PHE A 89 -3.550 0.094 4.631 1.00 0.56 H new ATOM 0 HE1 PHE A 89 -1.626 -4.405 4.200 1.00 0.75 H new ATOM 0 HE2 PHE A 89 -3.005 -1.212 6.648 1.00 0.49 H new ATOM 0 HZ PHE A 89 -1.886 -3.450 6.392 1.00 0.51 H new ATOM 1344 N TYR A 90 -5.972 -0.527 3.903 1.00 0.44 N ATOM 1345 CA TYR A 90 -7.020 -1.379 4.441 1.00 0.53 C ATOM 1346 C TYR A 90 -8.398 -0.905 3.998 1.00 0.56 C ATOM 1347 O TYR A 90 -9.298 -1.709 3.748 1.00 0.71 O ATOM 1348 CB TYR A 90 -6.926 -1.393 5.961 1.00 0.56 C ATOM 1349 CG TYR A 90 -8.007 -2.193 6.636 1.00 0.70 C ATOM 1350 CD1 TYR A 90 -8.982 -1.593 7.435 1.00 0.78 C ATOM 1351 CD2 TYR A 90 -8.050 -3.566 6.461 1.00 0.77 C ATOM 1352 CE1 TYR A 90 -9.967 -2.357 8.031 1.00 0.93 C ATOM 1353 CE2 TYR A 90 -9.024 -4.330 7.053 1.00 0.91 C ATOM 1354 CZ TYR A 90 -10.015 -3.608 7.923 1.00 0.96 C ATOM 1355 OH TYR A 90 -10.962 -4.490 8.425 1.00 1.13 O ATOM 0 H TYR A 90 -5.474 0.018 4.607 1.00 0.44 H new ATOM 0 HA TYR A 90 -6.881 -2.390 4.057 1.00 0.53 H new ATOM 0 HB2 TYR A 90 -5.956 -1.796 6.251 1.00 0.56 H new ATOM 0 HB3 TYR A 90 -6.966 -0.367 6.326 1.00 0.56 H new ATOM 0 HD1 TYR A 90 -8.966 -0.524 7.588 1.00 0.78 H new ATOM 0 HD2 TYR A 90 -7.302 -4.045 5.846 1.00 0.77 H new ATOM 0 HE1 TYR A 90 -10.727 -1.858 8.614 1.00 0.93 H new ATOM 0 HE2 TYR A 90 -9.076 -5.398 6.901 1.00 0.91 H new ATOM 0 HH TYR A 90 -10.723 -5.406 8.171 1.00 1.13 H new ATOM 1365 N ILE A 91 -8.555 0.407 3.913 1.00 0.48 N ATOM 1366 CA ILE A 91 -9.798 0.995 3.450 1.00 0.53 C ATOM 1367 C ILE A 91 -10.042 0.633 1.985 1.00 0.61 C ATOM 1368 O ILE A 91 -11.144 0.227 1.613 1.00 0.86 O ATOM 1369 CB ILE A 91 -9.790 2.528 3.636 1.00 0.50 C ATOM 1370 CG1 ILE A 91 -9.683 2.871 5.127 1.00 0.47 C ATOM 1371 CG2 ILE A 91 -11.031 3.159 3.030 1.00 0.60 C ATOM 1372 CD1 ILE A 91 -9.724 4.354 5.420 1.00 0.51 C ATOM 0 H ILE A 91 -7.834 1.085 4.160 1.00 0.48 H new ATOM 0 HA ILE A 91 -10.612 0.589 4.051 1.00 0.53 H new ATOM 0 HB ILE A 91 -8.923 2.935 3.115 1.00 0.50 H new ATOM 0 HG12 ILE A 91 -10.498 2.383 5.661 1.00 0.47 H new ATOM 0 HG13 ILE A 91 -8.753 2.459 5.519 1.00 0.47 H new ATOM 0 HG21 ILE A 91 -10.998 4.239 3.176 1.00 0.60 H new ATOM 0 HG22 ILE A 91 -11.068 2.938 1.963 1.00 0.60 H new ATOM 0 HG23 ILE A 91 -11.919 2.754 3.515 1.00 0.60 H new ATOM 0 HD11 ILE A 91 -9.643 4.515 6.495 1.00 0.51 H new ATOM 0 HD12 ILE A 91 -8.893 4.848 4.916 1.00 0.51 H new ATOM 0 HD13 ILE A 91 -10.665 4.770 5.061 1.00 0.51 H new