USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 532 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 13 TYR OH : rot 60:sc= -5.35! USER MOD Set 1.2: A 34 THR OG1 : rot -42:sc= 0.926 USER MOD Single : A 2 SER OG : rot 145:sc= -9.8! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -8.22! C(o=-8.2!,f=-5.1!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.195 USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0588) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.87! K(o=-1.9!,f=0.26) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 67 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.18) USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= -0.571 (180deg=-1.66!) USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.125) USER MOD Single : A 74 SER OG : rot 180:sc= -1.67! USER MOD Single : A 75 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.028 7.992 6.726 1.00 0.00 N ATOM 41 CA SER A 2 10.438 8.922 7.815 1.00 0.00 C ATOM 42 C SER A 2 11.354 8.149 8.803 1.00 0.00 C ATOM 43 O SER A 2 12.535 8.069 8.532 1.00 0.00 O ATOM 44 CB SER A 2 9.193 9.557 8.450 1.00 0.00 C ATOM 45 OG SER A 2 8.134 8.615 8.471 1.00 0.00 O ATOM 0 HA SER A 2 11.025 9.760 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.419 9.888 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.895 10.441 7.885 1.00 0.00 H new ATOM 0 HG SER A 2 7.599 8.742 9.282 1.00 0.00 H new ATOM 51 N PRO A 3 10.861 7.559 9.889 1.00 0.00 N ATOM 52 CA PRO A 3 11.764 6.798 10.772 1.00 0.00 C ATOM 53 C PRO A 3 12.130 5.485 10.074 1.00 0.00 C ATOM 54 O PRO A 3 13.267 5.060 10.060 1.00 0.00 O ATOM 55 CB PRO A 3 10.938 6.496 12.025 1.00 0.00 C ATOM 56 CG PRO A 3 9.465 6.831 11.690 1.00 0.00 C ATOM 57 CD PRO A 3 9.453 7.581 10.348 1.00 0.00 C ATOM 0 HA PRO A 3 12.680 7.339 11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 3 11.040 5.449 12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 3 11.286 7.092 12.869 1.00 0.00 H new ATOM 0 HG2 PRO A 3 8.870 5.920 11.625 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.024 7.444 12.475 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.795 7.094 9.629 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.092 8.602 10.469 1.00 0.00 H new ATOM 65 N GLU A 4 11.143 4.849 9.499 1.00 0.00 N ATOM 66 CA GLU A 4 11.348 3.560 8.788 1.00 0.00 C ATOM 67 C GLU A 4 9.985 2.874 8.707 1.00 0.00 C ATOM 68 O GLU A 4 9.775 1.817 9.268 1.00 0.00 O ATOM 69 CB GLU A 4 12.327 2.676 9.570 1.00 0.00 C ATOM 70 CG GLU A 4 11.934 2.659 11.049 1.00 0.00 C ATOM 71 CD GLU A 4 12.431 1.362 11.691 1.00 0.00 C ATOM 72 OE1 GLU A 4 13.613 1.284 11.984 1.00 0.00 O ATOM 73 OE2 GLU A 4 11.621 0.468 11.875 1.00 0.00 O ATOM 0 H GLU A 4 10.179 5.182 9.495 1.00 0.00 H new ATOM 0 HA GLU A 4 11.764 3.728 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.317 1.662 9.169 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.343 3.054 9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.364 3.520 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.851 2.736 11.150 1.00 0.00 H new ATOM 80 N GLU A 5 9.046 3.487 8.031 1.00 0.00 N ATOM 81 CA GLU A 5 7.685 2.887 7.940 1.00 0.00 C ATOM 82 C GLU A 5 7.316 2.646 6.480 1.00 0.00 C ATOM 83 O GLU A 5 6.327 2.009 6.177 1.00 0.00 O ATOM 84 CB GLU A 5 6.674 3.827 8.569 1.00 0.00 C ATOM 85 CG GLU A 5 6.189 3.245 9.898 1.00 0.00 C ATOM 86 CD GLU A 5 6.258 4.321 10.985 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.970 5.467 10.678 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.597 3.981 12.106 1.00 0.00 O ATOM 0 H GLU A 5 9.165 4.374 7.541 1.00 0.00 H new ATOM 0 HA GLU A 5 7.680 1.935 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.125 4.806 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.830 3.973 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.166 2.882 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.804 2.390 10.179 1.00 0.00 H new ATOM 95 N LEU A 6 8.114 3.129 5.574 1.00 0.00 N ATOM 96 CA LEU A 6 7.819 2.903 4.139 1.00 0.00 C ATOM 97 C LEU A 6 8.291 1.499 3.766 1.00 0.00 C ATOM 98 O LEU A 6 7.586 0.744 3.131 1.00 0.00 O ATOM 99 CB LEU A 6 8.496 3.991 3.294 1.00 0.00 C ATOM 100 CG LEU A 6 9.196 3.382 2.085 1.00 0.00 C ATOM 101 CD1 LEU A 6 8.162 2.753 1.151 1.00 0.00 C ATOM 102 CD2 LEU A 6 9.972 4.464 1.334 1.00 0.00 C ATOM 0 H LEU A 6 8.957 3.670 5.766 1.00 0.00 H new ATOM 0 HA LEU A 6 6.749 2.968 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.752 4.715 2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.219 4.533 3.903 1.00 0.00 H new ATOM 0 HG LEU A 6 9.890 2.613 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.667 2.319 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.618 1.973 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.462 3.518 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.470 4.022 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.283 5.239 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.717 4.904 1.997 1.00 0.00 H new ATOM 114 N LYS A 7 9.473 1.139 4.174 1.00 0.00 N ATOM 115 CA LYS A 7 9.966 -0.231 3.860 1.00 0.00 C ATOM 116 C LYS A 7 9.399 -1.213 4.889 1.00 0.00 C ATOM 117 O LYS A 7 9.518 -2.415 4.748 1.00 0.00 O ATOM 118 CB LYS A 7 11.493 -0.264 3.891 1.00 0.00 C ATOM 119 CG LYS A 7 11.995 -1.136 2.737 1.00 0.00 C ATOM 120 CD LYS A 7 13.499 -0.938 2.554 1.00 0.00 C ATOM 121 CE LYS A 7 13.961 -1.712 1.319 1.00 0.00 C ATOM 122 NZ LYS A 7 15.261 -1.160 0.843 1.00 0.00 N ATOM 0 H LYS A 7 10.115 1.726 4.706 1.00 0.00 H new ATOM 0 HA LYS A 7 9.636 -0.515 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.893 0.746 3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.842 -0.662 4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.779 -2.185 2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.470 -0.876 1.818 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.727 0.122 2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.034 -1.286 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.069 -2.770 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.212 -1.639 0.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.575 -1.687 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.143 -0.156 0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.973 -1.252 1.595 1.00 0.00 H new ATOM 136 N GLY A 8 8.781 -0.709 5.925 1.00 0.00 N ATOM 137 CA GLY A 8 8.206 -1.609 6.963 1.00 0.00 C ATOM 138 C GLY A 8 6.860 -2.148 6.479 1.00 0.00 C ATOM 139 O GLY A 8 6.584 -3.328 6.570 1.00 0.00 O ATOM 0 H GLY A 8 8.651 0.288 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.890 -2.434 7.164 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.077 -1.066 7.900 1.00 0.00 H new ATOM 143 N ILE A 9 6.022 -1.298 5.953 1.00 0.00 N ATOM 144 CA ILE A 9 4.705 -1.765 5.454 1.00 0.00 C ATOM 145 C ILE A 9 4.932 -2.932 4.510 1.00 0.00 C ATOM 146 O ILE A 9 4.466 -4.023 4.730 1.00 0.00 O ATOM 147 CB ILE A 9 4.013 -0.616 4.723 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.862 -1.145 3.865 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.018 0.176 3.880 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.388 -1.728 2.567 1.00 0.00 C ATOM 0 H ILE A 9 6.196 -0.298 5.848 1.00 0.00 H new ATOM 0 HA ILE A 9 4.073 -2.088 6.281 1.00 0.00 H new ATOM 0 HB ILE A 9 3.595 0.065 5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.311 -1.908 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.161 -0.339 3.650 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.503 0.989 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.792 0.587 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.475 -0.484 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.554 -2.099 1.971 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.918 -0.956 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.070 -2.549 2.787 1.00 0.00 H new ATOM 162 N PHE A 10 5.652 -2.706 3.458 1.00 0.00 N ATOM 163 CA PHE A 10 5.928 -3.805 2.501 1.00 0.00 C ATOM 164 C PHE A 10 6.194 -5.147 3.205 1.00 0.00 C ATOM 165 O PHE A 10 5.317 -5.967 3.355 1.00 0.00 O ATOM 166 CB PHE A 10 7.110 -3.425 1.604 1.00 0.00 C ATOM 167 CG PHE A 10 6.688 -3.337 0.168 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.389 -2.988 -0.211 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.621 -3.716 -0.794 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.031 -3.031 -1.567 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.274 -3.740 -2.133 1.00 0.00 C ATOM 172 CZ PHE A 10 5.985 -3.407 -2.526 1.00 0.00 C ATOM 0 H PHE A 10 6.064 -1.805 3.216 1.00 0.00 H new ATOM 0 HA PHE A 10 5.035 -3.943 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.522 -2.468 1.925 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.903 -4.165 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.667 -2.688 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.621 -3.993 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.027 -2.776 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.008 -4.019 -2.875 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.715 -3.437 -3.571 1.00 0.00 H new ATOM 182 N GLU A 11 7.392 -5.390 3.620 1.00 0.00 N ATOM 183 CA GLU A 11 7.715 -6.693 4.290 1.00 0.00 C ATOM 184 C GLU A 11 6.607 -7.093 5.276 1.00 0.00 C ATOM 185 O GLU A 11 6.475 -8.241 5.646 1.00 0.00 O ATOM 186 CB GLU A 11 9.036 -6.554 5.048 1.00 0.00 C ATOM 187 CG GLU A 11 8.859 -5.585 6.219 1.00 0.00 C ATOM 188 CD GLU A 11 9.646 -6.100 7.424 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.544 -6.901 7.220 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.340 -5.683 8.529 1.00 0.00 O ATOM 0 H GLU A 11 8.178 -4.746 3.530 1.00 0.00 H new ATOM 0 HA GLU A 11 7.796 -7.466 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.360 -7.528 5.415 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.815 -6.191 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.209 -4.591 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.803 -5.492 6.473 1.00 0.00 H new ATOM 197 N LYS A 12 5.823 -6.154 5.708 1.00 0.00 N ATOM 198 CA LYS A 12 4.723 -6.466 6.674 1.00 0.00 C ATOM 199 C LYS A 12 3.497 -6.975 5.915 1.00 0.00 C ATOM 200 O LYS A 12 3.235 -8.161 5.854 1.00 0.00 O ATOM 201 CB LYS A 12 4.349 -5.209 7.464 1.00 0.00 C ATOM 202 CG LYS A 12 3.093 -5.483 8.294 1.00 0.00 C ATOM 203 CD LYS A 12 3.090 -4.583 9.531 1.00 0.00 C ATOM 204 CE LYS A 12 3.666 -5.354 10.720 1.00 0.00 C ATOM 205 NZ LYS A 12 3.063 -4.845 11.984 1.00 0.00 N ATOM 0 H LYS A 12 5.891 -5.173 5.436 1.00 0.00 H new ATOM 0 HA LYS A 12 5.067 -7.236 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.172 -4.918 8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.173 -4.377 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.201 -5.298 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.064 -6.531 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.681 -3.686 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.075 -4.255 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.461 -6.419 10.610 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.750 -5.240 10.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.455 -5.370 12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.281 -3.834 12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.032 -4.976 11.954 1.00 0.00 H new ATOM 219 N TYR A 13 2.740 -6.078 5.341 1.00 0.00 N ATOM 220 CA TYR A 13 1.523 -6.486 4.587 1.00 0.00 C ATOM 221 C TYR A 13 1.935 -7.026 3.216 1.00 0.00 C ATOM 222 O TYR A 13 1.342 -7.956 2.708 1.00 0.00 O ATOM 223 CB TYR A 13 0.604 -5.272 4.393 1.00 0.00 C ATOM 224 CG TYR A 13 0.421 -4.538 5.701 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.377 -3.605 6.118 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.709 -4.783 6.492 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.207 -2.917 7.322 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.879 -4.093 7.699 1.00 0.00 C ATOM 229 CZ TYR A 13 0.080 -3.162 8.112 1.00 0.00 C ATOM 230 OH TYR A 13 -0.084 -2.482 9.299 1.00 0.00 O ATOM 0 H TYR A 13 2.915 -5.073 5.363 1.00 0.00 H new ATOM 0 HA TYR A 13 0.994 -7.258 5.146 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.030 -4.600 3.648 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.364 -5.597 4.012 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.248 -3.416 5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.448 -5.503 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.945 -2.197 7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.750 -4.280 8.310 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.113 -1.518 9.123 1.00 0.00 H new ATOM 240 N ALA A 14 2.950 -6.463 2.609 1.00 0.00 N ATOM 241 CA ALA A 14 3.380 -6.978 1.277 1.00 0.00 C ATOM 242 C ALA A 14 3.878 -8.415 1.445 1.00 0.00 C ATOM 243 O ALA A 14 4.049 -9.138 0.485 1.00 0.00 O ATOM 244 CB ALA A 14 4.525 -6.108 0.723 1.00 0.00 C ATOM 0 H ALA A 14 3.492 -5.680 2.974 1.00 0.00 H new ATOM 0 HA ALA A 14 2.539 -6.946 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.834 -6.490 -0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.181 -5.079 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.371 -6.139 1.410 1.00 0.00 H new ATOM 250 N ASP A 15 4.136 -8.824 2.665 1.00 0.00 N ATOM 251 CA ASP A 15 4.661 -10.203 2.906 1.00 0.00 C ATOM 252 C ASP A 15 3.508 -11.181 3.116 1.00 0.00 C ATOM 253 O ASP A 15 3.688 -12.380 3.073 1.00 0.00 O ATOM 254 CB ASP A 15 5.543 -10.212 4.157 1.00 0.00 C ATOM 255 CG ASP A 15 6.130 -11.612 4.353 1.00 0.00 C ATOM 256 OD1 ASP A 15 7.020 -11.970 3.600 1.00 0.00 O ATOM 257 OD2 ASP A 15 5.680 -12.301 5.254 1.00 0.00 O ATOM 0 H ASP A 15 4.005 -8.260 3.505 1.00 0.00 H new ATOM 0 HA ASP A 15 5.243 -10.506 2.035 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.344 -9.480 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.958 -9.925 5.031 1.00 0.00 H new ATOM 262 N LYS A 16 2.334 -10.683 3.361 1.00 0.00 N ATOM 263 CA LYS A 16 1.175 -11.584 3.589 1.00 0.00 C ATOM 264 C LYS A 16 0.886 -12.391 2.319 1.00 0.00 C ATOM 265 O LYS A 16 0.175 -13.376 2.347 1.00 0.00 O ATOM 266 CB LYS A 16 -0.040 -10.737 3.959 1.00 0.00 C ATOM 267 CG LYS A 16 -0.557 -11.166 5.332 1.00 0.00 C ATOM 268 CD LYS A 16 0.556 -11.002 6.370 1.00 0.00 C ATOM 269 CE LYS A 16 0.186 -9.881 7.342 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.152 -10.466 8.669 1.00 0.00 N ATOM 0 H LYS A 16 2.125 -9.686 3.414 1.00 0.00 H new ATOM 0 HA LYS A 16 1.399 -12.278 4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.229 -9.681 3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.823 -10.856 3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.421 -10.564 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.889 -12.204 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.701 -11.936 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.499 -10.771 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.017 -9.183 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.662 -9.315 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.404 -9.704 9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.957 -11.116 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.669 -10.987 9.038 1.00 0.00 H new ATOM 284 N GLU A 17 1.437 -11.988 1.206 1.00 0.00 N ATOM 285 CA GLU A 17 1.196 -12.740 -0.059 1.00 0.00 C ATOM 286 C GLU A 17 2.406 -13.628 -0.355 1.00 0.00 C ATOM 287 O GLU A 17 2.626 -14.047 -1.475 1.00 0.00 O ATOM 288 CB GLU A 17 0.987 -11.753 -1.213 1.00 0.00 C ATOM 289 CG GLU A 17 2.329 -11.133 -1.610 1.00 0.00 C ATOM 290 CD GLU A 17 2.152 -10.297 -2.879 1.00 0.00 C ATOM 291 OE1 GLU A 17 2.131 -10.881 -3.951 1.00 0.00 O ATOM 292 OE2 GLU A 17 2.043 -9.088 -2.758 1.00 0.00 O ATOM 0 H GLU A 17 2.043 -11.172 1.118 1.00 0.00 H new ATOM 0 HA GLU A 17 0.305 -13.359 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.545 -12.266 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.288 -10.971 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.706 -10.508 -0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.068 -11.917 -1.779 1.00 0.00 H new ATOM 299 N GLY A 18 3.195 -13.915 0.641 1.00 0.00 N ATOM 300 CA GLY A 18 4.393 -14.768 0.424 1.00 0.00 C ATOM 301 C GLY A 18 5.506 -13.930 -0.205 1.00 0.00 C ATOM 302 O GLY A 18 6.000 -14.241 -1.271 1.00 0.00 O ATOM 0 H GLY A 18 3.060 -13.594 1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.730 -15.188 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.143 -15.607 -0.226 1.00 0.00 H new ATOM 306 N ASP A 19 5.911 -12.871 0.445 1.00 0.00 N ATOM 307 CA ASP A 19 6.998 -12.027 -0.130 1.00 0.00 C ATOM 308 C ASP A 19 7.322 -10.838 0.779 1.00 0.00 C ATOM 309 O ASP A 19 8.224 -10.893 1.592 1.00 0.00 O ATOM 310 CB ASP A 19 6.589 -11.526 -1.524 1.00 0.00 C ATOM 311 CG ASP A 19 7.847 -11.253 -2.351 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.899 -11.741 -1.972 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.738 -10.556 -3.347 1.00 0.00 O ATOM 0 H ASP A 19 5.540 -12.556 1.341 1.00 0.00 H new ATOM 0 HA ASP A 19 7.895 -12.641 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.966 -12.269 -2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.993 -10.618 -1.436 1.00 0.00 H new ATOM 318 N GLY A 20 6.629 -9.752 0.615 1.00 0.00 N ATOM 319 CA GLY A 20 6.924 -8.538 1.426 1.00 0.00 C ATOM 320 C GLY A 20 7.418 -7.470 0.461 1.00 0.00 C ATOM 321 O GLY A 20 7.537 -6.311 0.801 1.00 0.00 O ATOM 0 H GLY A 20 5.863 -9.649 -0.051 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.032 -8.199 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.678 -8.753 2.183 1.00 0.00 H new ATOM 325 N ASN A 21 7.719 -7.867 -0.751 1.00 0.00 N ATOM 326 CA ASN A 21 8.216 -6.907 -1.743 1.00 0.00 C ATOM 327 C ASN A 21 7.101 -6.518 -2.747 1.00 0.00 C ATOM 328 O ASN A 21 7.331 -5.769 -3.676 1.00 0.00 O ATOM 329 CB ASN A 21 9.392 -7.554 -2.474 1.00 0.00 C ATOM 330 CG ASN A 21 10.687 -7.203 -1.745 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.449 -6.371 -2.196 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.966 -7.809 -0.626 1.00 0.00 N ATOM 0 H ASN A 21 7.636 -8.828 -1.084 1.00 0.00 H new ATOM 0 HA ASN A 21 8.536 -5.992 -1.245 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.263 -8.636 -2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.434 -7.202 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.826 -7.585 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.324 -8.507 -0.250 1.00 0.00 H new ATOM 339 N GLN A 22 5.894 -7.013 -2.570 1.00 0.00 N ATOM 340 CA GLN A 22 4.769 -6.650 -3.504 1.00 0.00 C ATOM 341 C GLN A 22 3.467 -6.586 -2.700 1.00 0.00 C ATOM 342 O GLN A 22 3.366 -7.134 -1.622 1.00 0.00 O ATOM 343 CB GLN A 22 4.600 -7.674 -4.640 1.00 0.00 C ATOM 344 CG GLN A 22 5.864 -8.518 -4.845 1.00 0.00 C ATOM 345 CD GLN A 22 5.543 -9.985 -4.554 1.00 0.00 C ATOM 346 OE1 GLN A 22 5.827 -10.850 -5.356 1.00 0.00 O ATOM 347 NE2 GLN A 22 4.955 -10.302 -3.431 1.00 0.00 N ATOM 0 H GLN A 22 5.638 -7.653 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 22 5.006 -5.687 -3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.759 -8.330 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.358 -7.152 -5.566 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.227 -8.409 -5.867 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.659 -8.170 -4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.716 -9.574 -2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.735 -11.277 -3.228 1.00 0.00 H new ATOM 356 N LEU A 23 2.479 -5.887 -3.192 1.00 0.00 N ATOM 357 CA LEU A 23 1.214 -5.752 -2.422 1.00 0.00 C ATOM 358 C LEU A 23 -0.027 -5.916 -3.306 1.00 0.00 C ATOM 359 O LEU A 23 0.053 -6.272 -4.460 1.00 0.00 O ATOM 360 CB LEU A 23 1.217 -4.357 -1.817 1.00 0.00 C ATOM 361 CG LEU A 23 1.763 -4.469 -0.410 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.092 -3.081 0.133 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.725 -5.144 0.487 1.00 0.00 C ATOM 0 H LEU A 23 2.495 -5.406 -4.091 1.00 0.00 H new ATOM 0 HA LEU A 23 1.167 -6.534 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.831 -3.682 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.209 -3.943 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 23 2.674 -5.068 -0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.484 -3.170 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.839 -2.608 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.188 -2.472 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.118 -5.225 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.188 -4.549 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.505 -6.140 0.103 1.00 0.00 H new ATOM 375 N SER A 24 -1.182 -5.648 -2.753 1.00 0.00 N ATOM 376 CA SER A 24 -2.426 -5.750 -3.502 1.00 0.00 C ATOM 377 C SER A 24 -3.408 -4.772 -2.852 1.00 0.00 C ATOM 378 O SER A 24 -3.091 -4.134 -1.868 1.00 0.00 O ATOM 379 CB SER A 24 -2.968 -7.169 -3.404 1.00 0.00 C ATOM 380 OG SER A 24 -1.934 -8.042 -2.966 1.00 0.00 O ATOM 0 H SER A 24 -1.296 -5.355 -1.783 1.00 0.00 H new ATOM 0 HA SER A 24 -2.276 -5.516 -4.556 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.806 -7.202 -2.708 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.346 -7.493 -4.374 1.00 0.00 H new ATOM 0 HG SER A 24 -2.283 -8.956 -2.901 1.00 0.00 H new ATOM 386 N LYS A 25 -4.587 -4.649 -3.369 1.00 0.00 N ATOM 387 CA LYS A 25 -5.567 -3.712 -2.751 1.00 0.00 C ATOM 388 C LYS A 25 -6.067 -4.307 -1.437 1.00 0.00 C ATOM 389 O LYS A 25 -6.601 -3.617 -0.592 1.00 0.00 O ATOM 390 CB LYS A 25 -6.749 -3.499 -3.696 1.00 0.00 C ATOM 391 CG LYS A 25 -7.170 -2.027 -3.663 1.00 0.00 C ATOM 392 CD LYS A 25 -7.573 -1.581 -5.071 1.00 0.00 C ATOM 393 CE LYS A 25 -8.634 -2.534 -5.624 1.00 0.00 C ATOM 394 NZ LYS A 25 -9.917 -2.324 -4.895 1.00 0.00 N ATOM 0 H LYS A 25 -4.921 -5.152 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.084 -2.753 -2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.474 -3.787 -4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.584 -4.134 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.004 -1.891 -2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.349 -1.411 -3.295 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.962 -0.563 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.701 -1.572 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.776 -2.358 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.304 -3.567 -5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.668 -2.884 -5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.807 -2.625 -3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.172 -1.316 -4.924 1.00 0.00 H new ATOM 408 N GLU A 26 -5.896 -5.586 -1.258 1.00 0.00 N ATOM 409 CA GLU A 26 -6.353 -6.231 -0.003 1.00 0.00 C ATOM 410 C GLU A 26 -5.321 -5.991 1.101 1.00 0.00 C ATOM 411 O GLU A 26 -5.425 -6.531 2.185 1.00 0.00 O ATOM 412 CB GLU A 26 -6.507 -7.734 -0.241 1.00 0.00 C ATOM 413 CG GLU A 26 -7.450 -7.969 -1.422 1.00 0.00 C ATOM 414 CD GLU A 26 -8.863 -8.239 -0.900 1.00 0.00 C ATOM 415 OE1 GLU A 26 -8.998 -9.070 -0.018 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.786 -7.609 -1.391 1.00 0.00 O ATOM 0 H GLU A 26 -5.457 -6.213 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.310 -5.807 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.534 -8.183 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.900 -8.216 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.453 -7.098 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.103 -8.814 -2.016 1.00 0.00 H new ATOM 423 N GLU A 27 -4.317 -5.193 0.841 1.00 0.00 N ATOM 424 CA GLU A 27 -3.289 -4.946 1.893 1.00 0.00 C ATOM 425 C GLU A 27 -2.828 -3.486 1.877 1.00 0.00 C ATOM 426 O GLU A 27 -1.835 -3.146 2.483 1.00 0.00 O ATOM 427 CB GLU A 27 -2.083 -5.855 1.655 1.00 0.00 C ATOM 428 CG GLU A 27 -2.512 -7.319 1.759 1.00 0.00 C ATOM 429 CD GLU A 27 -1.398 -8.127 2.425 1.00 0.00 C ATOM 430 OE1 GLU A 27 -0.876 -7.665 3.427 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.083 -9.192 1.920 1.00 0.00 O ATOM 0 H GLU A 27 -4.166 -4.708 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.735 -5.161 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.657 -5.660 0.671 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.304 -5.641 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.432 -7.400 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.724 -7.719 0.767 1.00 0.00 H new ATOM 438 N LEU A 28 -3.548 -2.617 1.224 1.00 0.00 N ATOM 439 CA LEU A 28 -3.160 -1.193 1.218 1.00 0.00 C ATOM 440 C LEU A 28 -3.968 -0.534 2.336 1.00 0.00 C ATOM 441 O LEU A 28 -3.467 0.246 3.120 1.00 0.00 O ATOM 442 CB LEU A 28 -3.480 -0.620 -0.169 1.00 0.00 C ATOM 443 CG LEU A 28 -4.124 0.763 -0.065 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.095 1.780 0.436 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.631 1.194 -1.445 1.00 0.00 C ATOM 0 H LEU A 28 -4.391 -2.840 0.694 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.098 -1.023 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.565 -0.554 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.151 -1.297 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.957 0.718 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.560 2.763 0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.733 1.477 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.258 1.825 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.090 2.180 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.795 1.234 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.369 0.475 -1.802 1.00 0.00 H new ATOM 457 N LYS A 29 -5.211 -0.911 2.432 1.00 0.00 N ATOM 458 CA LYS A 29 -6.099 -0.431 3.479 1.00 0.00 C ATOM 459 C LYS A 29 -5.477 -0.714 4.847 1.00 0.00 C ATOM 460 O LYS A 29 -5.361 0.157 5.685 1.00 0.00 O ATOM 461 CB LYS A 29 -7.358 -1.240 3.336 1.00 0.00 C ATOM 462 CG LYS A 29 -8.278 -0.815 4.435 1.00 0.00 C ATOM 463 CD LYS A 29 -9.691 -1.267 4.116 1.00 0.00 C ATOM 464 CE LYS A 29 -10.272 -2.032 5.329 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.133 -3.150 4.846 1.00 0.00 N ATOM 0 H LYS A 29 -5.651 -1.566 1.785 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.282 0.640 3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.817 -1.070 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.141 -2.306 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.953 -1.245 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.249 0.269 4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.316 -0.405 3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.689 -1.908 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.464 -2.422 5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.854 -1.355 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.524 -3.664 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.912 -2.766 4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.565 -3.800 4.266 1.00 0.00 H new ATOM 479 N LEU A 30 -5.083 -1.942 5.075 1.00 0.00 N ATOM 480 CA LEU A 30 -4.474 -2.305 6.386 1.00 0.00 C ATOM 481 C LEU A 30 -3.242 -1.437 6.635 1.00 0.00 C ATOM 482 O LEU A 30 -2.824 -1.240 7.757 1.00 0.00 O ATOM 483 CB LEU A 30 -4.060 -3.775 6.360 1.00 0.00 C ATOM 484 CG LEU A 30 -5.309 -4.655 6.386 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.663 -5.081 4.960 1.00 0.00 C ATOM 486 CD2 LEU A 30 -5.034 -5.896 7.237 1.00 0.00 C ATOM 0 H LEU A 30 -5.158 -2.709 4.406 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.200 -2.142 7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.474 -3.983 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.425 -4.001 7.217 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.142 -4.096 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.554 -5.709 4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.855 -4.196 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.833 -5.642 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.923 -6.527 7.258 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.203 -6.455 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.781 -5.592 8.253 1.00 0.00 H new ATOM 498 N LEU A 31 -2.661 -0.917 5.596 1.00 0.00 N ATOM 499 CA LEU A 31 -1.458 -0.061 5.762 1.00 0.00 C ATOM 500 C LEU A 31 -1.825 1.166 6.578 1.00 0.00 C ATOM 501 O LEU A 31 -1.407 1.326 7.704 1.00 0.00 O ATOM 502 CB LEU A 31 -0.969 0.387 4.389 1.00 0.00 C ATOM 503 CG LEU A 31 -0.773 -0.835 3.495 1.00 0.00 C ATOM 504 CD1 LEU A 31 -0.012 -0.427 2.233 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.022 -1.904 4.247 1.00 0.00 C ATOM 0 H LEU A 31 -2.969 -1.048 4.632 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.675 -0.624 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.691 1.068 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.031 0.934 4.486 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.747 -1.239 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.128 -1.299 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.581 0.330 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.961 -0.020 2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.159 -2.774 3.605 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.996 -1.503 4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.522 -2.198 5.145 1.00 0.00 H new ATOM 517 N LEU A 32 -2.600 2.039 6.009 1.00 0.00 N ATOM 518 CA LEU A 32 -2.991 3.268 6.754 1.00 0.00 C ATOM 519 C LEU A 32 -3.594 2.875 8.087 1.00 0.00 C ATOM 520 O LEU A 32 -3.199 3.334 9.125 1.00 0.00 O ATOM 521 CB LEU A 32 -4.030 4.097 6.035 1.00 0.00 C ATOM 522 CG LEU A 32 -4.161 3.683 4.602 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.073 2.468 4.534 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.780 4.840 3.869 1.00 0.00 C ATOM 0 H LEU A 32 -2.980 1.959 5.066 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.082 3.860 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.992 3.991 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.757 5.151 6.088 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.199 3.425 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.181 2.151 3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.641 1.656 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.052 2.725 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.896 4.584 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.757 5.062 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.137 5.715 3.961 1.00 0.00 H new ATOM 536 N GLN A 33 -4.588 2.046 8.054 1.00 0.00 N ATOM 537 CA GLN A 33 -5.267 1.651 9.328 1.00 0.00 C ATOM 538 C GLN A 33 -4.247 1.484 10.460 1.00 0.00 C ATOM 539 O GLN A 33 -4.334 2.151 11.472 1.00 0.00 O ATOM 540 CB GLN A 33 -6.041 0.349 9.119 1.00 0.00 C ATOM 541 CG GLN A 33 -7.330 0.648 8.350 1.00 0.00 C ATOM 542 CD GLN A 33 -8.377 -0.420 8.670 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.543 -0.116 8.826 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.008 -1.666 8.775 1.00 0.00 N ATOM 0 H GLN A 33 -4.966 1.620 7.208 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.962 2.441 9.611 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.431 -0.366 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.275 -0.108 10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.707 1.634 8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.130 0.667 7.279 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.029 -1.921 8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.698 -2.386 8.988 1.00 0.00 H new ATOM 553 N THR A 34 -3.279 0.628 10.316 1.00 0.00 N ATOM 554 CA THR A 34 -2.280 0.478 11.406 1.00 0.00 C ATOM 555 C THR A 34 -1.501 1.784 11.541 1.00 0.00 C ATOM 556 O THR A 34 -1.096 2.177 12.617 1.00 0.00 O ATOM 557 CB THR A 34 -1.321 -0.656 11.062 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.496 -0.263 9.975 1.00 0.00 O ATOM 559 CG2 THR A 34 -2.124 -1.896 10.682 1.00 0.00 C ATOM 0 H THR A 34 -3.136 0.032 9.501 1.00 0.00 H new ATOM 0 HA THR A 34 -2.784 0.249 12.345 1.00 0.00 H new ATOM 0 HB THR A 34 -0.693 -0.883 11.924 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.037 0.207 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.442 -2.710 10.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.754 -2.192 11.521 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.751 -1.673 9.818 1.00 0.00 H new ATOM 567 N GLU A 35 -1.287 2.453 10.444 1.00 0.00 N ATOM 568 CA GLU A 35 -0.530 3.737 10.478 1.00 0.00 C ATOM 569 C GLU A 35 -1.499 4.933 10.501 1.00 0.00 C ATOM 570 O GLU A 35 -1.721 5.531 11.535 1.00 0.00 O ATOM 571 CB GLU A 35 0.377 3.819 9.245 1.00 0.00 C ATOM 572 CG GLU A 35 1.731 3.190 9.572 1.00 0.00 C ATOM 573 CD GLU A 35 2.498 4.097 10.537 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.249 4.009 11.729 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.323 4.864 10.067 1.00 0.00 O ATOM 0 H GLU A 35 -1.605 2.165 9.519 1.00 0.00 H new ATOM 0 HA GLU A 35 0.077 3.771 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.084 3.300 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.509 4.858 8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.588 2.206 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.307 3.045 8.658 1.00 0.00 H new ATOM 582 N PHE A 36 -2.072 5.299 9.379 1.00 0.00 N ATOM 583 CA PHE A 36 -3.009 6.461 9.368 1.00 0.00 C ATOM 584 C PHE A 36 -4.285 6.092 8.597 1.00 0.00 C ATOM 585 O PHE A 36 -4.440 6.484 7.460 1.00 0.00 O ATOM 586 CB PHE A 36 -2.354 7.647 8.643 1.00 0.00 C ATOM 587 CG PHE A 36 -0.871 7.414 8.501 1.00 0.00 C ATOM 588 CD1 PHE A 36 -0.045 7.404 9.629 1.00 0.00 C ATOM 589 CD2 PHE A 36 -0.326 7.190 7.231 1.00 0.00 C ATOM 590 CE1 PHE A 36 1.328 7.172 9.486 1.00 0.00 C ATOM 591 CE2 PHE A 36 1.045 6.960 7.086 1.00 0.00 C ATOM 592 CZ PHE A 36 1.875 6.950 8.215 1.00 0.00 C ATOM 0 H PHE A 36 -1.931 4.845 8.477 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.247 6.724 10.399 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.805 7.776 7.659 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.534 8.567 9.199 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.466 7.575 10.609 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.966 7.195 6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.967 7.164 10.357 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.464 6.790 6.105 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.935 6.771 8.106 1.00 0.00 H new ATOM 602 N PRO A 37 -5.174 5.369 9.231 1.00 0.00 N ATOM 603 CA PRO A 37 -6.446 4.971 8.601 1.00 0.00 C ATOM 604 C PRO A 37 -7.193 6.190 8.049 1.00 0.00 C ATOM 605 O PRO A 37 -8.152 6.052 7.317 1.00 0.00 O ATOM 606 CB PRO A 37 -7.258 4.332 9.736 1.00 0.00 C ATOM 607 CG PRO A 37 -6.350 4.271 10.988 1.00 0.00 C ATOM 608 CD PRO A 37 -4.995 4.892 10.611 1.00 0.00 C ATOM 0 HA PRO A 37 -6.286 4.295 7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.154 4.918 9.942 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.588 3.332 9.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.803 4.815 11.816 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.220 3.240 11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.734 5.710 11.282 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.191 4.158 10.675 1.00 0.00 H new ATOM 616 N SER A 38 -6.789 7.378 8.411 1.00 0.00 N ATOM 617 CA SER A 38 -7.521 8.576 7.916 1.00 0.00 C ATOM 618 C SER A 38 -7.216 8.853 6.446 1.00 0.00 C ATOM 619 O SER A 38 -7.791 9.744 5.853 1.00 0.00 O ATOM 620 CB SER A 38 -7.154 9.798 8.759 1.00 0.00 C ATOM 621 OG SER A 38 -5.757 10.040 8.655 1.00 0.00 O ATOM 0 H SER A 38 -5.994 7.568 9.021 1.00 0.00 H new ATOM 0 HA SER A 38 -8.588 8.375 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.712 10.670 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.429 9.631 9.800 1.00 0.00 H new ATOM 0 HG SER A 38 -5.520 10.824 9.193 1.00 0.00 H new ATOM 627 N LEU A 39 -6.358 8.093 5.828 1.00 0.00 N ATOM 628 CA LEU A 39 -6.098 8.339 4.384 1.00 0.00 C ATOM 629 C LEU A 39 -7.295 7.809 3.589 1.00 0.00 C ATOM 630 O LEU A 39 -7.362 7.937 2.385 1.00 0.00 O ATOM 631 CB LEU A 39 -4.821 7.626 3.936 1.00 0.00 C ATOM 632 CG LEU A 39 -3.770 8.661 3.534 1.00 0.00 C ATOM 633 CD1 LEU A 39 -3.455 9.562 4.729 1.00 0.00 C ATOM 634 CD2 LEU A 39 -2.492 7.947 3.087 1.00 0.00 C ATOM 0 H LEU A 39 -5.834 7.326 6.250 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.965 9.407 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.440 7.000 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.037 6.966 3.096 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.156 9.266 2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.706 10.299 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.363 10.073 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.071 8.956 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.744 8.686 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.108 7.341 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.713 7.305 2.234 1.00 0.00 H new ATOM 646 N LEU A 40 -8.249 7.226 4.271 1.00 0.00 N ATOM 647 CA LEU A 40 -9.457 6.696 3.584 1.00 0.00 C ATOM 648 C LEU A 40 -10.648 6.761 4.542 1.00 0.00 C ATOM 649 O LEU A 40 -10.574 6.315 5.670 1.00 0.00 O ATOM 650 CB LEU A 40 -9.226 5.255 3.154 1.00 0.00 C ATOM 651 CG LEU A 40 -8.834 4.400 4.357 1.00 0.00 C ATOM 652 CD1 LEU A 40 -10.095 3.880 5.050 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.008 3.229 3.857 1.00 0.00 C ATOM 0 H LEU A 40 -8.239 7.096 5.283 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.661 7.299 2.699 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.130 4.856 2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.441 5.215 2.399 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.259 4.991 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.813 3.270 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.699 4.723 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.672 3.276 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.716 2.603 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.599 2.640 3.156 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.115 3.602 3.355 1.00 0.00 H new ATOM 767 N GLU A 48 -7.911 7.127 -5.592 1.00 0.00 N ATOM 768 CA GLU A 48 -6.897 7.426 -6.639 1.00 0.00 C ATOM 769 C GLU A 48 -5.554 6.842 -6.236 1.00 0.00 C ATOM 770 O GLU A 48 -4.566 6.988 -6.926 1.00 0.00 O ATOM 771 CB GLU A 48 -6.762 8.932 -6.790 1.00 0.00 C ATOM 772 CG GLU A 48 -7.206 9.336 -8.194 1.00 0.00 C ATOM 773 CD GLU A 48 -6.735 10.760 -8.494 1.00 0.00 C ATOM 774 OE1 GLU A 48 -6.361 11.448 -7.558 1.00 0.00 O ATOM 775 OE2 GLU A 48 -6.756 11.139 -9.653 1.00 0.00 O ATOM 0 HA GLU A 48 -7.214 6.985 -7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.371 9.441 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.729 9.236 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.795 8.644 -8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.292 9.277 -8.274 1.00 0.00 H new ATOM 782 N LEU A 49 -5.515 6.165 -5.134 1.00 0.00 N ATOM 783 CA LEU A 49 -4.231 5.551 -4.699 1.00 0.00 C ATOM 784 C LEU A 49 -4.037 4.265 -5.488 1.00 0.00 C ATOM 785 O LEU A 49 -2.954 3.729 -5.589 1.00 0.00 O ATOM 786 CB LEU A 49 -4.290 5.236 -3.208 1.00 0.00 C ATOM 787 CG LEU A 49 -2.958 5.614 -2.557 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.820 7.137 -2.515 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.913 5.059 -1.132 1.00 0.00 C ATOM 0 H LEU A 49 -6.309 6.007 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.402 6.236 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.106 5.787 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.494 4.176 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.138 5.193 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.870 7.404 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.852 7.533 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.639 7.561 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.965 5.327 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.734 5.480 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.008 3.974 -1.161 1.00 0.00 H new ATOM 801 N PHE A 50 -5.097 3.778 -6.054 1.00 0.00 N ATOM 802 CA PHE A 50 -5.021 2.531 -6.853 1.00 0.00 C ATOM 803 C PHE A 50 -4.476 2.849 -8.246 1.00 0.00 C ATOM 804 O PHE A 50 -3.686 2.111 -8.799 1.00 0.00 O ATOM 805 CB PHE A 50 -6.427 1.952 -6.974 1.00 0.00 C ATOM 806 CG PHE A 50 -6.384 0.650 -7.739 1.00 0.00 C ATOM 807 CD1 PHE A 50 -5.270 -0.193 -7.632 1.00 0.00 C ATOM 808 CD2 PHE A 50 -7.459 0.288 -8.559 1.00 0.00 C ATOM 809 CE1 PHE A 50 -5.234 -1.397 -8.346 1.00 0.00 C ATOM 810 CE2 PHE A 50 -7.422 -0.915 -9.273 1.00 0.00 C ATOM 811 CZ PHE A 50 -6.309 -1.758 -9.167 1.00 0.00 C ATOM 0 H PHE A 50 -6.026 4.196 -5.997 1.00 0.00 H new ATOM 0 HA PHE A 50 -4.359 1.813 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -6.848 1.787 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -7.079 2.662 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.440 0.086 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.318 0.938 -8.641 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.376 -2.048 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.252 -1.193 -9.906 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.280 -2.686 -9.718 1.00 0.00 H new ATOM 821 N GLU A 51 -4.899 3.942 -8.820 1.00 0.00 N ATOM 822 CA GLU A 51 -4.413 4.307 -10.180 1.00 0.00 C ATOM 823 C GLU A 51 -2.961 4.782 -10.104 1.00 0.00 C ATOM 824 O GLU A 51 -2.162 4.498 -10.973 1.00 0.00 O ATOM 825 CB GLU A 51 -5.285 5.430 -10.749 1.00 0.00 C ATOM 826 CG GLU A 51 -5.712 5.071 -12.172 1.00 0.00 C ATOM 827 CD GLU A 51 -6.226 6.322 -12.885 1.00 0.00 C ATOM 828 OE1 GLU A 51 -5.469 7.273 -12.987 1.00 0.00 O ATOM 829 OE2 GLU A 51 -7.366 6.307 -13.318 1.00 0.00 O ATOM 0 H GLU A 51 -5.561 4.598 -8.405 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.472 3.432 -10.827 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.163 5.577 -10.120 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.732 6.370 -10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.869 4.649 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.491 4.309 -12.147 1.00 0.00 H new ATOM 836 N GLU A 52 -2.613 5.506 -9.078 1.00 0.00 N ATOM 837 CA GLU A 52 -1.211 6.001 -8.962 1.00 0.00 C ATOM 838 C GLU A 52 -0.305 4.892 -8.424 1.00 0.00 C ATOM 839 O GLU A 52 0.868 5.100 -8.185 1.00 0.00 O ATOM 840 CB GLU A 52 -1.165 7.196 -8.009 1.00 0.00 C ATOM 841 CG GLU A 52 0.209 7.868 -8.102 1.00 0.00 C ATOM 842 CD GLU A 52 0.086 9.344 -7.717 1.00 0.00 C ATOM 843 OE1 GLU A 52 -0.579 9.627 -6.736 1.00 0.00 O ATOM 844 OE2 GLU A 52 0.663 10.165 -8.411 1.00 0.00 O ATOM 0 H GLU A 52 -3.235 5.776 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.861 6.304 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.949 7.909 -8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.353 6.868 -6.987 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.916 7.367 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.601 7.777 -9.115 1.00 0.00 H new ATOM 851 N LEU A 53 -0.831 3.715 -8.231 1.00 0.00 N ATOM 852 CA LEU A 53 0.014 2.606 -7.704 1.00 0.00 C ATOM 853 C LEU A 53 -0.141 1.364 -8.589 1.00 0.00 C ATOM 854 O LEU A 53 0.524 0.366 -8.395 1.00 0.00 O ATOM 855 CB LEU A 53 -0.419 2.271 -6.273 1.00 0.00 C ATOM 856 CG LEU A 53 -0.350 3.530 -5.401 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.825 3.199 -3.983 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.090 4.036 -5.340 1.00 0.00 C ATOM 0 H LEU A 53 -1.805 3.473 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 53 1.058 2.919 -7.707 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.434 1.874 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.226 1.496 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.990 4.299 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.775 4.095 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.853 2.839 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.185 2.427 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.135 4.931 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.729 3.264 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.435 4.274 -6.346 1.00 0.00 H new ATOM 870 N ASP A 54 -1.014 1.410 -9.558 1.00 0.00 N ATOM 871 CA ASP A 54 -1.205 0.225 -10.443 1.00 0.00 C ATOM 872 C ASP A 54 -0.029 0.104 -11.420 1.00 0.00 C ATOM 873 O ASP A 54 0.562 1.089 -11.822 1.00 0.00 O ATOM 874 CB ASP A 54 -2.508 0.386 -11.231 1.00 0.00 C ATOM 875 CG ASP A 54 -3.167 -0.982 -11.414 1.00 0.00 C ATOM 876 OD1 ASP A 54 -2.678 -1.749 -12.227 1.00 0.00 O ATOM 877 OD2 ASP A 54 -4.150 -1.240 -10.738 1.00 0.00 O ATOM 0 H ASP A 54 -1.602 2.215 -9.775 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.253 -0.675 -9.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.184 1.059 -10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.304 0.836 -12.203 1.00 0.00 H new ATOM 882 N LYS A 55 0.312 -1.097 -11.810 1.00 0.00 N ATOM 883 CA LYS A 55 1.442 -1.286 -12.767 1.00 0.00 C ATOM 884 C LYS A 55 0.876 -1.681 -14.132 1.00 0.00 C ATOM 885 O LYS A 55 1.059 -0.997 -15.119 1.00 0.00 O ATOM 886 CB LYS A 55 2.359 -2.404 -12.264 1.00 0.00 C ATOM 887 CG LYS A 55 3.390 -1.826 -11.296 1.00 0.00 C ATOM 888 CD LYS A 55 4.797 -2.272 -11.715 1.00 0.00 C ATOM 889 CE LYS A 55 5.129 -1.737 -13.134 1.00 0.00 C ATOM 890 NZ LYS A 55 6.362 -2.407 -13.635 1.00 0.00 N ATOM 0 H LYS A 55 -0.145 -1.957 -11.506 1.00 0.00 H new ATOM 0 HA LYS A 55 2.010 -0.359 -12.850 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.770 -3.175 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.862 -2.881 -13.105 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.329 -0.738 -11.291 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.179 -2.162 -10.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.531 -1.904 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.860 -3.360 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.297 -1.928 -13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.274 -0.657 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.588 -2.052 -14.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.153 -2.203 -12.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.206 -3.434 -13.678 1.00 0.00 H new ATOM 904 N ASN A 56 0.182 -2.784 -14.186 1.00 0.00 N ATOM 905 CA ASN A 56 -0.414 -3.236 -15.473 1.00 0.00 C ATOM 906 C ASN A 56 -1.931 -3.336 -15.298 1.00 0.00 C ATOM 907 O ASN A 56 -2.692 -3.084 -16.211 1.00 0.00 O ATOM 908 CB ASN A 56 0.148 -4.610 -15.877 1.00 0.00 C ATOM 909 CG ASN A 56 1.045 -5.176 -14.773 1.00 0.00 C ATOM 910 OD1 ASN A 56 2.218 -5.411 -14.985 1.00 0.00 O ATOM 911 ND2 ASN A 56 0.535 -5.405 -13.602 1.00 0.00 N ATOM 0 H ASN A 56 0.002 -3.395 -13.389 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.167 -2.520 -16.257 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.673 -5.300 -16.075 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.717 -4.518 -16.802 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.119 -5.783 -12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.450 -5.207 -13.427 1.00 0.00 H new ATOM 918 N GLY A 57 -2.372 -3.688 -14.121 1.00 0.00 N ATOM 919 CA GLY A 57 -3.838 -3.789 -13.872 1.00 0.00 C ATOM 920 C GLY A 57 -4.183 -5.160 -13.288 1.00 0.00 C ATOM 921 O GLY A 57 -4.973 -5.900 -13.839 1.00 0.00 O ATOM 0 H GLY A 57 -1.780 -3.910 -13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.152 -3.004 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.384 -3.635 -14.803 1.00 0.00 H new ATOM 925 N ASP A 58 -3.609 -5.499 -12.165 1.00 0.00 N ATOM 926 CA ASP A 58 -3.917 -6.811 -11.534 1.00 0.00 C ATOM 927 C ASP A 58 -4.204 -6.592 -10.048 1.00 0.00 C ATOM 928 O ASP A 58 -4.358 -7.528 -9.289 1.00 0.00 O ATOM 929 CB ASP A 58 -2.731 -7.756 -11.692 1.00 0.00 C ATOM 930 CG ASP A 58 -3.125 -9.161 -11.229 1.00 0.00 C ATOM 931 OD1 ASP A 58 -3.884 -9.805 -11.934 1.00 0.00 O ATOM 932 OD2 ASP A 58 -2.660 -9.569 -10.178 1.00 0.00 O ATOM 0 H ASP A 58 -2.939 -4.921 -11.658 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.787 -7.253 -12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.411 -7.782 -12.734 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.885 -7.394 -11.108 1.00 0.00 H new ATOM 937 N GLY A 59 -4.281 -5.355 -9.627 1.00 0.00 N ATOM 938 CA GLY A 59 -4.561 -5.070 -8.195 1.00 0.00 C ATOM 939 C GLY A 59 -3.269 -5.174 -7.381 1.00 0.00 C ATOM 940 O GLY A 59 -3.245 -4.873 -6.207 1.00 0.00 O ATOM 0 H GLY A 59 -4.161 -4.532 -10.217 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.988 -4.072 -8.090 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.300 -5.774 -7.813 1.00 0.00 H new ATOM 944 N GLU A 60 -2.195 -5.600 -7.996 1.00 0.00 N ATOM 945 CA GLU A 60 -0.904 -5.731 -7.255 1.00 0.00 C ATOM 946 C GLU A 60 -0.201 -4.374 -7.172 1.00 0.00 C ATOM 947 O GLU A 60 -0.494 -3.459 -7.917 1.00 0.00 O ATOM 948 CB GLU A 60 -0.002 -6.725 -7.984 1.00 0.00 C ATOM 949 CG GLU A 60 1.320 -6.869 -7.231 1.00 0.00 C ATOM 950 CD GLU A 60 1.941 -8.231 -7.545 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.421 -9.223 -7.062 1.00 0.00 O ATOM 952 OE2 GLU A 60 2.925 -8.257 -8.266 1.00 0.00 O ATOM 0 H GLU A 60 -2.156 -5.863 -8.981 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.108 -6.087 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.497 -7.693 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.184 -6.383 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.004 -6.071 -7.519 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.152 -6.773 -6.158 1.00 0.00 H new ATOM 959 N VAL A 61 0.736 -4.247 -6.271 1.00 0.00 N ATOM 960 CA VAL A 61 1.482 -2.970 -6.122 1.00 0.00 C ATOM 961 C VAL A 61 2.910 -3.296 -5.684 1.00 0.00 C ATOM 962 O VAL A 61 3.177 -3.536 -4.525 1.00 0.00 O ATOM 963 CB VAL A 61 0.782 -2.079 -5.077 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.804 -1.210 -4.331 1.00 0.00 C ATOM 965 CG2 VAL A 61 -0.210 -1.164 -5.790 1.00 0.00 C ATOM 0 H VAL A 61 1.018 -4.985 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 61 1.506 -2.429 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 61 0.270 -2.719 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.288 -0.589 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.523 -1.851 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.327 -0.572 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.710 -0.530 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.322 -0.540 -6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.951 -1.768 -6.313 1.00 0.00 H new ATOM 975 N SER A 62 3.828 -3.300 -6.602 1.00 0.00 N ATOM 976 CA SER A 62 5.233 -3.610 -6.244 1.00 0.00 C ATOM 977 C SER A 62 5.839 -2.370 -5.585 1.00 0.00 C ATOM 978 O SER A 62 5.211 -1.336 -5.502 1.00 0.00 O ATOM 979 CB SER A 62 6.008 -3.979 -7.519 1.00 0.00 C ATOM 980 OG SER A 62 6.091 -2.836 -8.369 1.00 0.00 O ATOM 0 H SER A 62 3.665 -3.101 -7.589 1.00 0.00 H new ATOM 0 HA SER A 62 5.284 -4.452 -5.553 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.008 -4.328 -7.262 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.508 -4.797 -8.038 1.00 0.00 H new ATOM 0 HG SER A 62 6.586 -3.068 -9.182 1.00 0.00 H new ATOM 986 N PHE A 63 7.041 -2.467 -5.102 1.00 0.00 N ATOM 987 CA PHE A 63 7.677 -1.299 -4.430 1.00 0.00 C ATOM 988 C PHE A 63 7.958 -0.206 -5.466 1.00 0.00 C ATOM 989 O PHE A 63 8.377 0.881 -5.132 1.00 0.00 O ATOM 990 CB PHE A 63 8.991 -1.755 -3.791 1.00 0.00 C ATOM 991 CG PHE A 63 9.322 -0.931 -2.556 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.412 -0.834 -1.489 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.556 -0.275 -2.474 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.739 -0.085 -0.353 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.880 0.476 -1.336 1.00 0.00 C ATOM 996 CZ PHE A 63 9.972 0.572 -0.275 1.00 0.00 C ATOM 0 H PHE A 63 7.616 -3.308 -5.142 1.00 0.00 H new ATOM 0 HA PHE A 63 7.012 -0.901 -3.663 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.919 -2.808 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.800 -1.667 -4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.459 -1.338 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.260 -0.348 -3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.038 -0.014 0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.832 0.982 -1.277 1.00 0.00 H new ATOM 0 HZ PHE A 63 10.222 1.151 0.601 1.00 0.00 H new ATOM 1006 N GLU A 64 7.723 -0.481 -6.722 1.00 0.00 N ATOM 1007 CA GLU A 64 7.971 0.554 -7.767 1.00 0.00 C ATOM 1008 C GLU A 64 6.794 1.531 -7.783 1.00 0.00 C ATOM 1009 O GLU A 64 6.951 2.710 -8.030 1.00 0.00 O ATOM 1010 CB GLU A 64 8.106 -0.111 -9.141 1.00 0.00 C ATOM 1011 CG GLU A 64 9.019 0.735 -10.032 1.00 0.00 C ATOM 1012 CD GLU A 64 9.572 -0.134 -11.162 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.122 -1.260 -11.290 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.437 0.341 -11.880 1.00 0.00 O ATOM 0 H GLU A 64 7.372 -1.374 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 64 8.895 1.087 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.516 -1.115 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.125 -0.216 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.464 1.578 -10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.837 1.150 -9.443 1.00 0.00 H new ATOM 1021 N GLU A 65 5.617 1.046 -7.501 1.00 0.00 N ATOM 1022 CA GLU A 65 4.421 1.933 -7.471 1.00 0.00 C ATOM 1023 C GLU A 65 4.150 2.308 -6.018 1.00 0.00 C ATOM 1024 O GLU A 65 3.516 3.298 -5.718 1.00 0.00 O ATOM 1025 CB GLU A 65 3.221 1.183 -8.045 1.00 0.00 C ATOM 1026 CG GLU A 65 3.691 0.291 -9.193 1.00 0.00 C ATOM 1027 CD GLU A 65 4.215 1.165 -10.334 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.608 2.191 -10.595 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.216 0.795 -10.928 1.00 0.00 O ATOM 0 H GLU A 65 5.431 0.066 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 65 4.592 2.830 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.749 0.580 -7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.471 1.890 -8.401 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.475 -0.383 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.868 -0.331 -9.545 1.00 0.00 H new ATOM 1036 N PHE A 66 4.657 1.513 -5.116 1.00 0.00 N ATOM 1037 CA PHE A 66 4.483 1.777 -3.659 1.00 0.00 C ATOM 1038 C PHE A 66 5.382 2.950 -3.233 1.00 0.00 C ATOM 1039 O PHE A 66 5.492 3.263 -2.065 1.00 0.00 O ATOM 1040 CB PHE A 66 4.896 0.512 -2.896 1.00 0.00 C ATOM 1041 CG PHE A 66 4.339 0.544 -1.493 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.060 0.039 -1.245 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.090 1.094 -0.446 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.521 0.087 0.044 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.552 1.138 0.844 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.268 0.638 1.090 1.00 0.00 C ATOM 0 H PHE A 66 5.196 0.674 -5.332 1.00 0.00 H new ATOM 0 HA PHE A 66 3.446 2.033 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.532 -0.372 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.983 0.438 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.485 -0.390 -2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.080 1.482 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.530 -0.300 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.129 1.559 1.654 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.854 0.678 2.087 1.00 0.00 H new ATOM 1056 N GLN A 67 6.021 3.603 -4.174 1.00 0.00 N ATOM 1057 CA GLN A 67 6.911 4.759 -3.820 1.00 0.00 C ATOM 1058 C GLN A 67 6.059 5.989 -3.602 1.00 0.00 C ATOM 1059 O GLN A 67 6.354 6.834 -2.786 1.00 0.00 O ATOM 1060 CB GLN A 67 7.910 5.035 -4.941 1.00 0.00 C ATOM 1061 CG GLN A 67 8.688 3.764 -5.259 1.00 0.00 C ATOM 1062 CD GLN A 67 9.816 3.560 -4.225 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.724 4.365 -4.153 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.809 2.522 -3.412 1.00 0.00 N ATOM 0 H GLN A 67 5.966 3.388 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 67 7.462 4.513 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.386 5.384 -5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.596 5.828 -4.643 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.016 2.905 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.110 3.828 -6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.053 1.840 -3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.560 2.401 -2.732 1.00 0.00 H new ATOM 1073 N VAL A 68 4.997 6.093 -4.320 1.00 0.00 N ATOM 1074 CA VAL A 68 4.105 7.264 -4.125 1.00 0.00 C ATOM 1075 C VAL A 68 3.652 7.267 -2.658 1.00 0.00 C ATOM 1076 O VAL A 68 3.231 8.272 -2.120 1.00 0.00 O ATOM 1077 CB VAL A 68 2.892 7.146 -5.041 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.337 8.541 -5.316 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.311 6.492 -6.361 1.00 0.00 C ATOM 0 H VAL A 68 4.700 5.426 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 68 4.630 8.189 -4.364 1.00 0.00 H new ATOM 0 HB VAL A 68 2.127 6.534 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.469 8.465 -5.971 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.042 9.007 -4.376 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.103 9.149 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.444 6.407 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.073 7.104 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.715 5.499 -6.163 1.00 0.00 H new ATOM 1089 N LEU A 69 3.756 6.131 -2.016 1.00 0.00 N ATOM 1090 CA LEU A 69 3.362 6.000 -0.577 1.00 0.00 C ATOM 1091 C LEU A 69 4.499 6.504 0.297 1.00 0.00 C ATOM 1092 O LEU A 69 4.292 6.925 1.405 1.00 0.00 O ATOM 1093 CB LEU A 69 3.193 4.509 -0.257 1.00 0.00 C ATOM 1094 CG LEU A 69 1.845 4.148 0.402 1.00 0.00 C ATOM 1095 CD1 LEU A 69 2.131 3.532 1.769 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.934 5.368 0.589 1.00 0.00 C ATOM 0 H LEU A 69 4.105 5.270 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 69 2.446 6.562 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.297 3.938 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.002 4.198 0.404 1.00 0.00 H new ATOM 0 HG LEU A 69 1.325 3.451 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.191 3.269 2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.738 2.635 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.669 4.251 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.000 5.056 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.432 6.100 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.722 5.816 -0.382 1.00 0.00 H new ATOM 1108 N VAL A 70 5.705 6.419 -0.173 1.00 0.00 N ATOM 1109 CA VAL A 70 6.842 6.870 0.662 1.00 0.00 C ATOM 1110 C VAL A 70 6.577 8.308 1.113 1.00 0.00 C ATOM 1111 O VAL A 70 7.015 8.733 2.160 1.00 0.00 O ATOM 1112 CB VAL A 70 8.145 6.822 -0.140 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.099 7.869 -1.249 1.00 0.00 C ATOM 1114 CG2 VAL A 70 9.322 7.130 0.785 1.00 0.00 C ATOM 0 H VAL A 70 5.952 6.059 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 70 6.940 6.212 1.526 1.00 0.00 H new ATOM 0 HB VAL A 70 8.265 5.830 -0.574 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.027 7.835 -1.820 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.258 7.662 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.980 8.859 -0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.251 7.096 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.196 8.123 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.360 6.390 1.585 1.00 0.00 H new ATOM 1124 N LYS A 71 5.846 9.057 0.328 1.00 0.00 N ATOM 1125 CA LYS A 71 5.530 10.465 0.708 1.00 0.00 C ATOM 1126 C LYS A 71 4.230 10.476 1.510 1.00 0.00 C ATOM 1127 O LYS A 71 3.487 11.437 1.511 1.00 0.00 O ATOM 1128 CB LYS A 71 5.361 11.304 -0.545 1.00 0.00 C ATOM 1129 CG LYS A 71 6.462 12.362 -0.610 1.00 0.00 C ATOM 1130 CD LYS A 71 7.246 12.201 -1.913 1.00 0.00 C ATOM 1131 CE LYS A 71 6.436 12.788 -3.071 1.00 0.00 C ATOM 1132 NZ LYS A 71 5.586 11.725 -3.675 1.00 0.00 N ATOM 0 H LYS A 71 5.453 8.752 -0.563 1.00 0.00 H new ATOM 0 HA LYS A 71 6.341 10.879 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.403 10.667 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.382 11.784 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.026 13.360 -0.556 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.131 12.260 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.209 12.706 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.453 11.147 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.812 13.607 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.106 13.203 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.389 11.961 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.084 10.813 -3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.690 11.658 -3.151 1.00 0.00 H new ATOM 1146 N LYS A 72 3.953 9.396 2.184 1.00 0.00 N ATOM 1147 CA LYS A 72 2.706 9.300 2.984 1.00 0.00 C ATOM 1148 C LYS A 72 3.040 8.950 4.443 1.00 0.00 C ATOM 1149 O LYS A 72 2.414 9.434 5.364 1.00 0.00 O ATOM 1150 CB LYS A 72 1.809 8.207 2.403 1.00 0.00 C ATOM 1151 CG LYS A 72 0.863 8.814 1.366 1.00 0.00 C ATOM 1152 CD LYS A 72 1.668 9.532 0.281 1.00 0.00 C ATOM 1153 CE LYS A 72 0.894 9.490 -1.040 1.00 0.00 C ATOM 1154 NZ LYS A 72 -0.394 10.223 -0.888 1.00 0.00 N ATOM 0 H LYS A 72 4.546 8.567 2.214 1.00 0.00 H new ATOM 0 HA LYS A 72 2.191 10.260 2.951 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.419 7.430 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.235 7.732 3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.250 8.031 0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.182 9.515 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.853 10.565 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.641 9.056 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.488 9.939 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.704 8.456 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.830 10.356 -1.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.036 9.675 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.216 11.151 -0.454 1.00 0.00 H new ATOM 1168 N ILE A 73 4.008 8.091 4.660 1.00 0.00 N ATOM 1169 CA ILE A 73 4.383 7.674 6.003 1.00 0.00 C ATOM 1170 C ILE A 73 4.631 8.828 6.933 1.00 0.00 C ATOM 1171 O ILE A 73 3.992 8.975 7.956 1.00 0.00 O ATOM 1172 CB ILE A 73 5.677 6.898 5.820 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.338 5.469 5.913 1.00 0.00 C ATOM 1174 CG2 ILE A 73 6.712 7.204 6.913 1.00 0.00 C ATOM 1175 CD1 ILE A 73 5.122 4.861 4.529 1.00 0.00 C ATOM 0 H ILE A 73 4.560 7.659 3.918 1.00 0.00 H new ATOM 0 HA ILE A 73 3.576 7.096 6.454 1.00 0.00 H new ATOM 0 HB ILE A 73 6.114 7.178 4.861 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.138 4.936 6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.436 5.345 6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.616 6.622 6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.955 8.266 6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.301 6.941 7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.873 3.805 4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.305 5.380 4.027 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.033 4.964 3.940 1.00 0.00 H new ATOM 1187 N SER A 74 5.637 9.569 6.633 1.00 0.00 N ATOM 1188 CA SER A 74 6.035 10.639 7.550 1.00 0.00 C ATOM 1189 C SER A 74 4.795 11.369 8.082 1.00 0.00 C ATOM 1190 O SER A 74 4.523 11.363 9.267 1.00 0.00 O ATOM 1191 CB SER A 74 6.966 11.626 6.845 1.00 0.00 C ATOM 1192 OG SER A 74 7.828 12.229 7.803 1.00 0.00 O ATOM 0 H SER A 74 6.203 9.479 5.789 1.00 0.00 H new ATOM 0 HA SER A 74 6.570 10.196 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.553 11.110 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.382 12.391 6.332 1.00 0.00 H new ATOM 0 HG SER A 74 8.427 12.861 7.353 1.00 0.00 H new ATOM 1198 N GLN A 75 4.037 11.984 7.216 1.00 0.00 N ATOM 1199 CA GLN A 75 2.810 12.701 7.671 1.00 0.00 C ATOM 1200 C GLN A 75 2.261 13.549 6.522 1.00 0.00 C ATOM 1201 O GLN A 75 1.741 14.617 6.798 1.00 0.00 O ATOM 1202 CB GLN A 75 3.150 13.604 8.859 1.00 0.00 C ATOM 1203 CG GLN A 75 2.200 13.301 10.019 1.00 0.00 C ATOM 1204 CD GLN A 75 2.764 13.895 11.312 1.00 0.00 C ATOM 1205 OE1 GLN A 75 3.911 14.294 11.360 1.00 0.00 O ATOM 1206 NE2 GLN A 75 2.001 13.969 12.368 1.00 0.00 N ATOM 1207 OXT GLN A 75 2.372 13.117 5.387 1.00 0.00 O ATOM 0 H GLN A 75 4.214 12.022 6.212 1.00 0.00 H new ATOM 0 HA GLN A 75 2.059 11.973 7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.182 13.442 9.169 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.065 14.651 8.569 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.215 13.719 9.814 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.073 12.224 10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.039 13.634 12.326 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.367 14.362 13.235 1.00 0.00 H new