USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.249 USER MOD Set 1.2: A 100 THR OG1 : rot -68:sc= 0.26 USER MOD Set 2.1: A 39 SER OG : rot -170:sc= -1.88! USER MOD Set 2.2: A 86 ASN : amide:sc= -4.57! C(o=-6.5!,f=-11!) USER MOD Single : A 12 CYS SG : rot -170:sc= 0.0602 USER MOD Single : A 18 GLN : amide:sc=-0.00948 X(o=-0.0095,f=-0.28) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0832 K(o=-0.083,f=-1.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 27:sc= 0.271 USER MOD Single : A 44 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 45 SER OG : rot 150:sc= 0.14 USER MOD Single : A 48 MET CE :methyl -135:sc= -0.54 (180deg=-2.71!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.511 (180deg=-1.52) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.339 USER MOD Single : A 61 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -152:sc= -0.747 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -54:sc= 0.0869 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0.0248 (180deg=0.0243) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -15:sc= 0.916! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -101:sc= -3.47! (180deg=-5.96!) USER MOD Single : A 94 SER OG : rot 80:sc= -0.0305 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -157:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.546 17.026 4.217 1.00 0.00 N ATOM 67 CA PRO A 8 9.730 15.870 3.834 1.00 0.00 C ATOM 68 C PRO A 8 8.758 16.193 2.705 1.00 0.00 C ATOM 69 O PRO A 8 8.337 17.336 2.525 1.00 0.00 O ATOM 70 CB PRO A 8 8.967 15.534 5.118 1.00 0.00 C ATOM 71 CG PRO A 8 8.911 16.818 5.872 1.00 0.00 C ATOM 72 CD PRO A 8 10.187 17.544 5.548 1.00 0.00 C ATOM 0 HA PRO A 8 10.339 15.049 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.967 15.160 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.478 14.760 5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.042 17.406 5.577 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.826 16.638 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.042 18.624 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.965 17.337 6.283 1.00 0.00 H new ATOM 80 N PRO A 9 8.391 15.165 1.926 1.00 0.00 N ATOM 81 CA PRO A 9 7.463 15.316 0.801 1.00 0.00 C ATOM 82 C PRO A 9 6.038 15.604 1.261 1.00 0.00 C ATOM 83 O PRO A 9 5.613 15.149 2.322 1.00 0.00 O ATOM 84 CB PRO A 9 7.534 13.958 0.098 1.00 0.00 C ATOM 85 CG PRO A 9 7.952 13.002 1.162 1.00 0.00 C ATOM 86 CD PRO A 9 8.853 13.776 2.083 1.00 0.00 C ATOM 0 HA PRO A 9 7.731 16.157 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.569 13.681 -0.326 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.250 13.974 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.087 12.613 1.699 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.474 12.146 0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.761 13.436 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.901 13.667 1.804 1.00 0.00 H new ATOM 94 N GLY A 10 5.303 16.363 0.454 1.00 0.00 N ATOM 95 CA GLY A 10 3.933 16.699 0.794 1.00 0.00 C ATOM 96 C GLY A 10 3.021 15.488 0.789 1.00 0.00 C ATOM 97 O GLY A 10 3.470 14.346 0.686 1.00 0.00 O ATOM 0 H GLY A 10 5.632 16.751 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.910 17.163 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.556 17.437 0.085 1.00 0.00 H new ATOM 101 N PRO A 11 1.707 15.731 0.903 1.00 0.00 N ATOM 102 CA PRO A 11 0.702 14.663 0.914 1.00 0.00 C ATOM 103 C PRO A 11 0.559 13.988 -0.445 1.00 0.00 C ATOM 104 O PRO A 11 0.063 14.590 -1.399 1.00 0.00 O ATOM 105 CB PRO A 11 -0.589 15.396 1.286 1.00 0.00 C ATOM 106 CG PRO A 11 -0.368 16.802 0.846 1.00 0.00 C ATOM 107 CD PRO A 11 1.100 17.067 1.029 1.00 0.00 C ATOM 0 HA PRO A 11 0.967 13.861 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.452 14.956 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.780 15.342 2.358 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.662 16.936 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.966 17.495 1.438 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.481 17.754 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.310 17.513 2.001 1.00 0.00 H new ATOM 115 N CYS A 12 0.995 12.736 -0.527 1.00 0.00 N ATOM 116 CA CYS A 12 0.915 11.979 -1.771 1.00 0.00 C ATOM 117 C CYS A 12 -0.535 11.656 -2.119 1.00 0.00 C ATOM 118 O CYS A 12 -1.438 11.847 -1.304 1.00 0.00 O ATOM 119 CB CYS A 12 1.725 10.686 -1.659 1.00 0.00 C ATOM 120 SG CYS A 12 3.344 10.896 -0.881 1.00 0.00 S ATOM 0 H CYS A 12 1.407 12.224 0.253 1.00 0.00 H new ATOM 0 HA CYS A 12 1.333 12.593 -2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.150 9.958 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.864 10.269 -2.656 1.00 0.00 H new ATOM 0 HG CYS A 12 4.036 9.804 -1.018 1.00 0.00 H new ATOM 126 N LEU A 13 -0.751 11.166 -3.335 1.00 0.00 N ATOM 127 CA LEU A 13 -2.091 10.818 -3.793 1.00 0.00 C ATOM 128 C LEU A 13 -2.445 9.386 -3.403 1.00 0.00 C ATOM 129 O LEU A 13 -1.574 8.553 -3.150 1.00 0.00 O ATOM 130 CB LEU A 13 -2.194 10.986 -5.310 1.00 0.00 C ATOM 131 CG LEU A 13 -2.450 12.407 -5.812 1.00 0.00 C ATOM 132 CD1 LEU A 13 -2.195 12.499 -7.308 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.872 12.840 -5.484 1.00 0.00 C ATOM 0 H LEU A 13 -0.015 11.001 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.799 11.492 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.269 10.625 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.997 10.344 -5.673 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.760 13.081 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.382 13.518 -7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.159 12.232 -7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.860 11.814 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.037 13.854 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.578 12.163 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.020 12.814 -4.404 1.00 0.00 H new ATOM 145 N PRO A 14 -3.752 9.091 -3.356 1.00 0.00 N ATOM 146 CA PRO A 14 -4.251 7.759 -3.000 1.00 0.00 C ATOM 147 C PRO A 14 -3.956 6.723 -4.080 1.00 0.00 C ATOM 148 O PRO A 14 -4.029 7.001 -5.277 1.00 0.00 O ATOM 149 CB PRO A 14 -5.760 7.971 -2.861 1.00 0.00 C ATOM 150 CG PRO A 14 -6.059 9.151 -3.720 1.00 0.00 C ATOM 151 CD PRO A 14 -4.845 10.035 -3.646 1.00 0.00 C ATOM 0 HA PRO A 14 -3.776 7.373 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.315 7.092 -3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.040 8.156 -1.824 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.257 8.846 -4.747 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.946 9.676 -3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.678 10.567 -4.582 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.943 10.788 -2.864 1.00 0.00 H new ATOM 159 N PRO A 15 -3.616 5.499 -3.649 1.00 0.00 N ATOM 160 CA PRO A 15 -3.304 4.397 -4.564 1.00 0.00 C ATOM 161 C PRO A 15 -4.536 3.898 -5.311 1.00 0.00 C ATOM 162 O PRO A 15 -5.555 3.572 -4.701 1.00 0.00 O ATOM 163 CB PRO A 15 -2.765 3.307 -3.634 1.00 0.00 C ATOM 164 CG PRO A 15 -3.379 3.601 -2.309 1.00 0.00 C ATOM 165 CD PRO A 15 -3.510 5.098 -2.237 1.00 0.00 C ATOM 0 HA PRO A 15 -2.603 4.699 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.042 2.313 -3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.677 3.335 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.352 3.119 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.756 3.224 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.390 5.397 -1.667 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.646 5.554 -1.753 1.00 0.00 H new ATOM 173 N ARG A 16 -4.436 3.841 -6.635 1.00 0.00 N ATOM 174 CA ARG A 16 -5.543 3.383 -7.466 1.00 0.00 C ATOM 175 C ARG A 16 -5.553 1.860 -7.567 1.00 0.00 C ATOM 176 O ARG A 16 -4.581 1.251 -8.015 1.00 0.00 O ATOM 177 CB ARG A 16 -5.448 3.996 -8.864 1.00 0.00 C ATOM 178 CG ARG A 16 -6.081 5.374 -8.969 1.00 0.00 C ATOM 179 CD ARG A 16 -7.564 5.282 -9.295 1.00 0.00 C ATOM 180 NE ARG A 16 -8.125 6.580 -9.663 1.00 0.00 N ATOM 181 CZ ARG A 16 -8.379 7.546 -8.787 1.00 0.00 C ATOM 182 NH1 ARG A 16 -8.122 7.362 -7.499 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.889 8.699 -9.199 1.00 0.00 N ATOM 0 H ARG A 16 -3.600 4.106 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.473 3.706 -6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.399 4.065 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.931 3.328 -9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.946 5.910 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.573 5.951 -9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.712 4.578 -10.114 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.101 4.886 -8.433 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.333 6.754 -10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.728 6.477 -7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.318 8.105 -6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.087 8.845 -10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.084 9.440 -8.526 1.00 0.00 H new ATOM 197 N LEU A 17 -6.657 1.252 -7.147 1.00 0.00 N ATOM 198 CA LEU A 17 -6.794 -0.200 -7.189 1.00 0.00 C ATOM 199 C LEU A 17 -6.390 -0.745 -8.555 1.00 0.00 C ATOM 200 O LEU A 17 -6.983 -0.393 -9.574 1.00 0.00 O ATOM 201 CB LEU A 17 -8.234 -0.605 -6.871 1.00 0.00 C ATOM 202 CG LEU A 17 -8.632 -2.030 -7.260 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.922 -3.043 -6.374 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.141 -2.205 -7.171 1.00 0.00 C ATOM 0 H LEU A 17 -7.470 1.742 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.129 -0.626 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.396 -0.483 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.906 0.089 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.327 -2.204 -8.292 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.217 -4.051 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.844 -2.933 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.196 -2.871 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.406 -3.224 -7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.470 -2.012 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.629 -1.504 -7.848 1.00 0.00 H new ATOM 216 N GLN A 18 -5.379 -1.608 -8.567 1.00 0.00 N ATOM 217 CA GLN A 18 -4.898 -2.203 -9.808 1.00 0.00 C ATOM 218 C GLN A 18 -5.856 -3.283 -10.301 1.00 0.00 C ATOM 219 O GLN A 18 -6.443 -4.016 -9.507 1.00 0.00 O ATOM 220 CB GLN A 18 -3.502 -2.796 -9.606 1.00 0.00 C ATOM 221 CG GLN A 18 -2.669 -2.837 -10.877 1.00 0.00 C ATOM 222 CD GLN A 18 -1.464 -3.749 -10.755 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.578 -4.892 -10.313 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.299 -3.246 -11.149 1.00 0.00 N ATOM 0 H GLN A 18 -4.878 -1.910 -7.732 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.846 -1.418 -10.562 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.973 -2.211 -8.854 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.600 -3.808 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.293 -3.174 -11.705 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.334 -1.829 -11.120 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.251 -2.293 -11.509 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.547 -3.813 -11.091 1.00 0.00 H new ATOM 233 N GLY A 19 -6.009 -3.374 -11.619 1.00 0.00 N ATOM 234 CA GLY A 19 -6.897 -4.366 -12.196 1.00 0.00 C ATOM 235 C GLY A 19 -8.136 -4.595 -11.353 1.00 0.00 C ATOM 236 O GLY A 19 -8.916 -3.672 -11.121 1.00 0.00 O ATOM 0 H GLY A 19 -5.534 -2.778 -12.297 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.195 -4.046 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.360 -5.308 -12.310 1.00 0.00 H new ATOM 240 N ARG A 20 -8.318 -5.830 -10.895 1.00 0.00 N ATOM 241 CA ARG A 20 -9.472 -6.178 -10.075 1.00 0.00 C ATOM 242 C ARG A 20 -9.033 -6.719 -8.718 1.00 0.00 C ATOM 243 O ARG A 20 -8.048 -7.449 -8.603 1.00 0.00 O ATOM 244 CB ARG A 20 -10.340 -7.213 -10.792 1.00 0.00 C ATOM 245 CG ARG A 20 -11.092 -6.654 -11.989 1.00 0.00 C ATOM 246 CD ARG A 20 -12.232 -5.746 -11.555 1.00 0.00 C ATOM 247 NE ARG A 20 -13.438 -6.500 -11.224 1.00 0.00 N ATOM 248 CZ ARG A 20 -14.398 -6.040 -10.430 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.294 -4.834 -9.889 1.00 0.00 N ATOM 250 NH2 ARG A 20 -15.466 -6.786 -10.176 1.00 0.00 N ATOM 0 H ARG A 20 -7.681 -6.605 -11.078 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.057 -5.272 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.708 -8.037 -11.123 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.058 -7.626 -10.083 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.404 -6.097 -12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.487 -7.475 -12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.921 -5.162 -10.689 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.455 -5.038 -12.353 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.549 -7.431 -11.625 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.475 -4.257 -10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.033 -4.483 -9.280 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.550 -7.714 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.202 -6.431 -9.566 1.00 0.00 H new ATOM 264 N PRO A 21 -9.778 -6.353 -7.665 1.00 0.00 N ATOM 265 CA PRO A 21 -9.484 -6.790 -6.297 1.00 0.00 C ATOM 266 C PRO A 21 -9.752 -8.277 -6.093 1.00 0.00 C ATOM 267 O PRO A 21 -10.262 -8.955 -6.986 1.00 0.00 O ATOM 268 CB PRO A 21 -10.440 -5.953 -5.444 1.00 0.00 C ATOM 269 CG PRO A 21 -11.568 -5.617 -6.357 1.00 0.00 C ATOM 270 CD PRO A 21 -10.965 -5.484 -7.728 1.00 0.00 C ATOM 0 HA PRO A 21 -8.433 -6.653 -6.043 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.787 -6.512 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.952 -5.053 -5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.330 -6.396 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.054 -4.690 -6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.658 -5.807 -8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.696 -4.451 -7.950 1.00 0.00 H new ATOM 278 N LYS A 22 -9.406 -8.780 -4.913 1.00 0.00 N ATOM 279 CA LYS A 22 -9.610 -10.187 -4.591 1.00 0.00 C ATOM 280 C LYS A 22 -10.407 -10.339 -3.299 1.00 0.00 C ATOM 281 O LYS A 22 -10.819 -9.351 -2.693 1.00 0.00 O ATOM 282 CB LYS A 22 -8.264 -10.903 -4.460 1.00 0.00 C ATOM 283 CG LYS A 22 -7.364 -10.732 -5.671 1.00 0.00 C ATOM 284 CD LYS A 22 -7.580 -11.841 -6.687 1.00 0.00 C ATOM 285 CE LYS A 22 -6.648 -13.016 -6.436 1.00 0.00 C ATOM 286 NZ LYS A 22 -7.242 -14.303 -6.895 1.00 0.00 N ATOM 0 H LYS A 22 -8.983 -8.233 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.178 -10.641 -5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.747 -10.527 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.442 -11.966 -4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.560 -9.767 -6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.321 -10.727 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.615 -12.180 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.415 -11.452 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.703 -12.847 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.422 -13.079 -5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.576 -15.079 -6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.131 -14.477 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.434 -14.252 -7.916 1.00 0.00 H new ATOM 300 N ALA A 23 -10.618 -11.584 -2.882 1.00 0.00 N ATOM 301 CA ALA A 23 -11.362 -11.864 -1.661 1.00 0.00 C ATOM 302 C ALA A 23 -10.592 -11.398 -0.430 1.00 0.00 C ATOM 303 O ALA A 23 -11.108 -10.632 0.385 1.00 0.00 O ATOM 304 CB ALA A 23 -11.670 -13.351 -1.560 1.00 0.00 C ATOM 0 H ALA A 23 -10.284 -12.414 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.300 -11.311 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.226 -13.546 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.267 -13.658 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.738 -13.916 -1.546 1.00 0.00 H new ATOM 310 N LYS A 24 -9.354 -11.864 -0.300 1.00 0.00 N ATOM 311 CA LYS A 24 -8.512 -11.494 0.831 1.00 0.00 C ATOM 312 C LYS A 24 -7.247 -10.784 0.359 1.00 0.00 C ATOM 313 O LYS A 24 -6.271 -10.677 1.100 1.00 0.00 O ATOM 314 CB LYS A 24 -8.138 -12.737 1.643 1.00 0.00 C ATOM 315 CG LYS A 24 -9.330 -13.424 2.285 1.00 0.00 C ATOM 316 CD LYS A 24 -8.920 -14.220 3.513 1.00 0.00 C ATOM 317 CE LYS A 24 -10.082 -14.394 4.478 1.00 0.00 C ATOM 318 NZ LYS A 24 -9.702 -15.212 5.663 1.00 0.00 N ATOM 0 H LYS A 24 -8.912 -12.499 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.077 -10.810 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.628 -13.446 0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.430 -12.453 2.422 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.074 -12.678 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.802 -14.088 1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.550 -15.199 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.098 -13.713 4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.429 -13.415 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.915 -14.869 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.521 -15.307 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.395 -16.155 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.924 -14.746 6.172 1.00 0.00 H new ATOM 332 N GLU A 25 -7.274 -10.298 -0.879 1.00 0.00 N ATOM 333 CA GLU A 25 -6.129 -9.597 -1.448 1.00 0.00 C ATOM 334 C GLU A 25 -6.584 -8.444 -2.338 1.00 0.00 C ATOM 335 O GLU A 25 -7.705 -8.445 -2.848 1.00 0.00 O ATOM 336 CB GLU A 25 -5.260 -10.565 -2.254 1.00 0.00 C ATOM 337 CG GLU A 25 -4.730 -11.732 -1.438 1.00 0.00 C ATOM 338 CD GLU A 25 -5.690 -12.906 -1.408 1.00 0.00 C ATOM 339 OE1 GLU A 25 -6.809 -12.770 -1.945 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.322 -13.959 -0.848 1.00 0.00 O ATOM 0 H GLU A 25 -8.075 -10.377 -1.506 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.540 -9.189 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.842 -10.952 -3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.418 -10.017 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.776 -12.058 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.537 -11.399 -0.418 1.00 0.00 H new ATOM 347 N ILE A 26 -5.708 -7.462 -2.518 1.00 0.00 N ATOM 348 CA ILE A 26 -6.019 -6.303 -3.346 1.00 0.00 C ATOM 349 C ILE A 26 -4.752 -5.689 -3.930 1.00 0.00 C ATOM 350 O ILE A 26 -3.769 -5.479 -3.221 1.00 0.00 O ATOM 351 CB ILE A 26 -6.777 -5.227 -2.546 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.962 -5.851 -1.806 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.248 -4.114 -3.470 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.798 -4.844 -1.048 1.00 0.00 C ATOM 0 H ILE A 26 -4.777 -7.445 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.655 -6.656 -4.157 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.099 -4.797 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.596 -6.370 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.590 -6.601 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.782 -3.361 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.387 -3.655 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.913 -4.527 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.620 -5.356 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.178 -4.342 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.200 -4.107 -1.744 1.00 0.00 H new ATOM 366 N GLN A 27 -4.784 -5.401 -5.228 1.00 0.00 N ATOM 367 CA GLN A 27 -3.638 -4.809 -5.907 1.00 0.00 C ATOM 368 C GLN A 27 -3.780 -3.293 -5.993 1.00 0.00 C ATOM 369 O GLN A 27 -4.883 -2.770 -6.156 1.00 0.00 O ATOM 370 CB GLN A 27 -3.489 -5.399 -7.310 1.00 0.00 C ATOM 371 CG GLN A 27 -3.178 -6.887 -7.314 1.00 0.00 C ATOM 372 CD GLN A 27 -3.468 -7.540 -8.652 1.00 0.00 C ATOM 373 OE1 GLN A 27 -4.332 -7.087 -9.403 1.00 0.00 O ATOM 374 NE2 GLN A 27 -2.745 -8.612 -8.956 1.00 0.00 N ATOM 0 H GLN A 27 -5.591 -5.568 -5.829 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.745 -5.040 -5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.410 -5.227 -7.867 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.695 -4.869 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.128 -7.036 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.765 -7.379 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.039 -8.953 -8.303 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.896 -9.094 -9.842 1.00 0.00 H new ATOM 383 N LEU A 28 -2.657 -2.592 -5.881 1.00 0.00 N ATOM 384 CA LEU A 28 -2.655 -1.134 -5.946 1.00 0.00 C ATOM 385 C LEU A 28 -1.569 -0.632 -6.891 1.00 0.00 C ATOM 386 O LEU A 28 -0.599 -1.338 -7.169 1.00 0.00 O ATOM 387 CB LEU A 28 -2.447 -0.542 -4.551 1.00 0.00 C ATOM 388 CG LEU A 28 -3.459 -0.964 -3.485 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.842 -0.876 -2.098 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.711 -0.103 -3.569 1.00 0.00 C ATOM 0 H LEU A 28 -1.736 -3.009 -5.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.622 -0.811 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.450 -0.817 -4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.467 0.545 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.741 -2.001 -3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.577 -1.180 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.975 -1.535 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.531 0.150 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.420 -0.417 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.445 0.942 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.165 -0.217 -4.553 1.00 0.00 H new ATOM 402 N ARG A 29 -1.737 0.592 -7.381 1.00 0.00 N ATOM 403 CA ARG A 29 -0.770 1.189 -8.294 1.00 0.00 C ATOM 404 C ARG A 29 -0.739 2.706 -8.138 1.00 0.00 C ATOM 405 O ARG A 29 -1.645 3.405 -8.590 1.00 0.00 O ATOM 406 CB ARG A 29 -1.108 0.821 -9.740 1.00 0.00 C ATOM 407 CG ARG A 29 -0.347 1.641 -10.771 1.00 0.00 C ATOM 408 CD ARG A 29 -0.236 0.904 -12.096 1.00 0.00 C ATOM 409 NE ARG A 29 -1.356 1.203 -12.984 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.373 0.893 -14.276 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.336 0.277 -14.827 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.429 1.198 -15.019 1.00 0.00 N ATOM 0 H ARG A 29 -2.534 1.189 -7.161 1.00 0.00 H new ATOM 0 HA ARG A 29 0.216 0.796 -8.047 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.892 -0.236 -9.897 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.178 0.955 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.853 2.594 -10.925 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.651 1.867 -10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.698 1.178 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.196 -0.170 -11.911 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.170 1.676 -12.591 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.477 0.040 -14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.352 0.040 -15.819 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.229 1.671 -14.599 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.441 0.960 -16.011 1.00 0.00 H new ATOM 426 N TRP A 30 0.309 3.208 -7.494 1.00 0.00 N ATOM 427 CA TRP A 30 0.457 4.643 -7.277 1.00 0.00 C ATOM 428 C TRP A 30 1.703 5.173 -7.978 1.00 0.00 C ATOM 429 O TRP A 30 2.382 4.441 -8.696 1.00 0.00 O ATOM 430 CB TRP A 30 0.530 4.948 -5.780 1.00 0.00 C ATOM 431 CG TRP A 30 1.664 4.256 -5.087 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.880 4.790 -4.770 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.687 2.900 -4.627 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.658 3.849 -4.141 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.949 2.681 -4.040 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.765 1.851 -4.651 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.309 1.456 -3.485 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.124 0.635 -4.101 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.387 0.446 -3.523 1.00 0.00 C ATOM 0 H TRP A 30 1.068 2.643 -7.113 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.415 5.142 -7.700 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.631 6.024 -5.640 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.408 4.652 -5.310 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.185 5.804 -4.983 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.609 3.996 -3.804 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.211 1.988 -5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.282 1.308 -3.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.420 -0.183 -4.117 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.637 -0.516 -3.099 1.00 0.00 H new ATOM 450 N GLY A 31 1.998 6.452 -7.764 1.00 0.00 N ATOM 451 CA GLY A 31 3.162 7.058 -8.383 1.00 0.00 C ATOM 452 C GLY A 31 3.825 8.086 -7.488 1.00 0.00 C ATOM 453 O GLY A 31 3.374 8.355 -6.374 1.00 0.00 O ATOM 0 H GLY A 31 1.452 7.079 -7.173 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.883 6.280 -8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.867 7.532 -9.319 1.00 0.00 H new ATOM 457 N PRO A 32 4.925 8.679 -7.975 1.00 0.00 N ATOM 458 CA PRO A 32 5.676 9.692 -7.227 1.00 0.00 C ATOM 459 C PRO A 32 4.909 11.003 -7.095 1.00 0.00 C ATOM 460 O PRO A 32 4.279 11.479 -8.040 1.00 0.00 O ATOM 461 CB PRO A 32 6.938 9.893 -8.070 1.00 0.00 C ATOM 462 CG PRO A 32 6.536 9.505 -9.451 1.00 0.00 C ATOM 463 CD PRO A 32 5.521 8.407 -9.294 1.00 0.00 C ATOM 0 HA PRO A 32 5.877 9.376 -6.203 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.278 10.928 -8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.759 9.274 -7.708 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.112 10.354 -9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.396 9.162 -10.026 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.773 8.435 -10.086 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.986 7.422 -9.329 1.00 0.00 H new ATOM 471 N PRO A 33 4.961 11.602 -5.896 1.00 0.00 N ATOM 472 CA PRO A 33 4.276 12.867 -5.613 1.00 0.00 C ATOM 473 C PRO A 33 4.914 14.046 -6.339 1.00 0.00 C ATOM 474 O PRO A 33 6.027 13.941 -6.858 1.00 0.00 O ATOM 475 CB PRO A 33 4.432 13.023 -4.098 1.00 0.00 C ATOM 476 CG PRO A 33 5.657 12.245 -3.761 1.00 0.00 C ATOM 477 CD PRO A 33 5.692 11.090 -4.724 1.00 0.00 C ATOM 0 HA PRO A 33 3.239 12.854 -5.949 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.539 14.071 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.560 12.638 -3.569 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.550 12.862 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.624 11.893 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.714 10.810 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.213 10.204 -4.307 1.00 0.00 H new ATOM 485 N LEU A 34 4.205 15.169 -6.372 1.00 0.00 N ATOM 486 CA LEU A 34 4.703 16.369 -7.035 1.00 0.00 C ATOM 487 C LEU A 34 5.655 17.139 -6.124 1.00 0.00 C ATOM 488 O LEU A 34 6.665 17.677 -6.577 1.00 0.00 O ATOM 489 CB LEU A 34 3.536 17.268 -7.448 1.00 0.00 C ATOM 490 CG LEU A 34 2.960 17.020 -8.843 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.514 17.487 -8.913 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.801 17.721 -9.900 1.00 0.00 C ATOM 0 H LEU A 34 3.283 15.274 -5.947 1.00 0.00 H new ATOM 0 HA LEU A 34 5.251 16.062 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.735 17.147 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.865 18.306 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 34 2.985 15.948 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.120 17.303 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.919 16.939 -8.182 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.465 18.554 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.376 17.533 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.809 18.794 -9.706 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.821 17.339 -9.866 1.00 0.00 H new ATOM 504 N VAL A 35 5.326 17.185 -4.837 1.00 0.00 N ATOM 505 CA VAL A 35 6.153 17.885 -3.862 1.00 0.00 C ATOM 506 C VAL A 35 7.015 16.909 -3.069 1.00 0.00 C ATOM 507 O VAL A 35 6.584 16.372 -2.048 1.00 0.00 O ATOM 508 CB VAL A 35 5.293 18.706 -2.882 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.160 19.671 -2.089 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.198 19.451 -3.631 1.00 0.00 C ATOM 0 H VAL A 35 4.493 16.746 -4.446 1.00 0.00 H new ATOM 0 HA VAL A 35 6.798 18.561 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 35 4.819 18.021 -2.179 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.535 20.242 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.903 19.111 -1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.664 20.353 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.600 20.026 -2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.649 20.126 -4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.559 18.735 -4.149 1.00 0.00 H new ATOM 520 N ASP A 36 8.234 16.683 -3.545 1.00 0.00 N ATOM 521 CA ASP A 36 9.158 15.772 -2.880 1.00 0.00 C ATOM 522 C ASP A 36 9.966 16.501 -1.812 1.00 0.00 C ATOM 523 O ASP A 36 10.983 15.997 -1.336 1.00 0.00 O ATOM 524 CB ASP A 36 10.099 15.131 -3.902 1.00 0.00 C ATOM 525 CG ASP A 36 11.097 16.121 -4.470 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.636 16.935 -3.691 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.339 16.082 -5.694 1.00 0.00 O ATOM 0 H ASP A 36 8.606 17.118 -4.389 1.00 0.00 H new ATOM 0 HA ASP A 36 8.573 14.990 -2.396 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.636 14.308 -3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.512 14.704 -4.715 1.00 0.00 H new ATOM 532 N GLY A 37 9.507 17.692 -1.440 1.00 0.00 N ATOM 533 CA GLY A 37 10.201 18.473 -0.432 1.00 0.00 C ATOM 534 C GLY A 37 11.560 18.952 -0.902 1.00 0.00 C ATOM 535 O GLY A 37 12.405 19.335 -0.094 1.00 0.00 O ATOM 0 H GLY A 37 8.667 18.130 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.590 19.334 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.323 17.871 0.469 1.00 0.00 H new ATOM 539 N GLY A 38 11.772 18.929 -2.215 1.00 0.00 N ATOM 540 CA GLY A 38 13.040 19.365 -2.768 1.00 0.00 C ATOM 541 C GLY A 38 14.049 18.238 -2.865 1.00 0.00 C ATOM 542 O GLY A 38 15.092 18.381 -3.504 1.00 0.00 O ATOM 0 H GLY A 38 11.088 18.616 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.875 19.787 -3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.449 20.162 -2.147 1.00 0.00 H new ATOM 546 N SER A 39 13.740 17.113 -2.227 1.00 0.00 N ATOM 547 CA SER A 39 14.630 15.958 -2.240 1.00 0.00 C ATOM 548 C SER A 39 13.999 14.794 -2.997 1.00 0.00 C ATOM 549 O SER A 39 12.788 14.577 -2.956 1.00 0.00 O ATOM 550 CB SER A 39 14.964 15.530 -0.809 1.00 0.00 C ATOM 551 OG SER A 39 13.870 15.763 0.061 1.00 0.00 O ATOM 0 H SER A 39 12.880 16.977 -1.695 1.00 0.00 H new ATOM 0 HA SER A 39 15.549 16.244 -2.751 1.00 0.00 H new ATOM 0 HB2 SER A 39 15.226 14.472 -0.794 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.837 16.079 -0.456 1.00 0.00 H new ATOM 0 HG SER A 39 14.156 15.632 0.989 1.00 0.00 H new ATOM 557 N PRO A 40 14.840 14.025 -3.706 1.00 0.00 N ATOM 558 CA PRO A 40 14.388 12.870 -4.487 1.00 0.00 C ATOM 559 C PRO A 40 13.926 11.717 -3.601 1.00 0.00 C ATOM 560 O PRO A 40 14.709 11.162 -2.831 1.00 0.00 O ATOM 561 CB PRO A 40 15.635 12.468 -5.279 1.00 0.00 C ATOM 562 CG PRO A 40 16.778 12.967 -4.465 1.00 0.00 C ATOM 563 CD PRO A 40 16.296 14.226 -3.800 1.00 0.00 C ATOM 0 HA PRO A 40 13.528 13.111 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.687 11.388 -5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.633 12.914 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.082 12.227 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.647 13.166 -5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.748 14.360 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.543 15.111 -4.387 1.00 0.00 H new ATOM 571 N ILE A 41 12.651 11.363 -3.717 1.00 0.00 N ATOM 572 CA ILE A 41 12.086 10.275 -2.928 1.00 0.00 C ATOM 573 C ILE A 41 13.070 9.117 -2.805 1.00 0.00 C ATOM 574 O ILE A 41 13.841 8.844 -3.724 1.00 0.00 O ATOM 575 CB ILE A 41 10.773 9.756 -3.544 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.790 10.910 -3.751 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.160 8.683 -2.657 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.474 11.670 -2.482 1.00 0.00 C ATOM 0 H ILE A 41 11.990 11.813 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 41 11.878 10.678 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 41 10.994 9.314 -4.515 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.203 11.601 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.864 10.517 -4.170 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.233 8.326 -3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.858 7.852 -2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.949 9.101 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.771 12.473 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.031 10.992 -1.753 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.392 12.093 -2.073 1.00 0.00 H new ATOM 590 N SER A 42 13.035 8.438 -1.663 1.00 0.00 N ATOM 591 CA SER A 42 13.925 7.309 -1.418 1.00 0.00 C ATOM 592 C SER A 42 13.132 6.016 -1.258 1.00 0.00 C ATOM 593 O SER A 42 13.476 4.987 -1.840 1.00 0.00 O ATOM 594 CB SER A 42 14.771 7.560 -0.168 1.00 0.00 C ATOM 595 OG SER A 42 15.555 6.425 0.155 1.00 0.00 O ATOM 0 H SER A 42 12.400 8.650 -0.893 1.00 0.00 H new ATOM 0 HA SER A 42 14.585 7.206 -2.279 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.421 8.420 -0.332 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.121 7.807 0.671 1.00 0.00 H new ATOM 0 HG SER A 42 16.087 6.612 0.956 1.00 0.00 H new ATOM 601 N CYS A 43 12.068 6.077 -0.464 1.00 0.00 N ATOM 602 CA CYS A 43 11.224 4.911 -0.225 1.00 0.00 C ATOM 603 C CYS A 43 9.787 5.331 0.067 1.00 0.00 C ATOM 604 O CYS A 43 9.535 6.452 0.508 1.00 0.00 O ATOM 605 CB CYS A 43 11.775 4.088 0.940 1.00 0.00 C ATOM 606 SG CYS A 43 13.026 2.874 0.460 1.00 0.00 S ATOM 0 H CYS A 43 11.770 6.921 0.025 1.00 0.00 H new ATOM 0 HA CYS A 43 11.228 4.299 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.206 4.765 1.678 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.949 3.570 1.427 1.00 0.00 H new ATOM 0 HG CYS A 43 13.637 3.281 -0.613 1.00 0.00 H new ATOM 612 N TYR A 44 8.850 4.424 -0.184 1.00 0.00 N ATOM 613 CA TYR A 44 7.437 4.702 0.048 1.00 0.00 C ATOM 614 C TYR A 44 6.863 3.762 1.104 1.00 0.00 C ATOM 615 O TYR A 44 7.469 2.744 1.440 1.00 0.00 O ATOM 616 CB TYR A 44 6.648 4.565 -1.256 1.00 0.00 C ATOM 617 CG TYR A 44 6.947 5.653 -2.262 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.219 6.836 -2.272 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.959 5.498 -3.201 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.488 7.833 -3.190 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.236 6.490 -4.122 1.00 0.00 C ATOM 622 CZ TYR A 44 7.498 7.655 -4.113 1.00 0.00 C ATOM 623 OH TYR A 44 7.770 8.646 -5.028 1.00 0.00 O ATOM 0 H TYR A 44 9.043 3.491 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 44 7.349 5.725 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.869 3.596 -1.704 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.582 4.575 -1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.429 6.979 -1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.539 4.587 -3.211 1.00 0.00 H new ATOM 0 HE1 TYR A 44 5.911 8.746 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 44 9.026 6.354 -4.845 1.00 0.00 H new ATOM 0 HH TYR A 44 8.510 8.364 -5.605 1.00 0.00 H new ATOM 633 N SER A 45 5.691 4.111 1.623 1.00 0.00 N ATOM 634 CA SER A 45 5.035 3.301 2.643 1.00 0.00 C ATOM 635 C SER A 45 3.518 3.358 2.490 1.00 0.00 C ATOM 636 O SER A 45 2.932 4.437 2.398 1.00 0.00 O ATOM 637 CB SER A 45 5.436 3.779 4.040 1.00 0.00 C ATOM 638 OG SER A 45 4.608 3.202 5.034 1.00 0.00 O ATOM 0 H SER A 45 5.176 4.949 1.354 1.00 0.00 H new ATOM 0 HA SER A 45 5.357 2.268 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.477 3.517 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.366 4.866 4.090 1.00 0.00 H new ATOM 0 HG SER A 45 5.115 3.106 5.867 1.00 0.00 H new ATOM 644 N VAL A 46 2.888 2.188 2.464 1.00 0.00 N ATOM 645 CA VAL A 46 1.439 2.103 2.323 1.00 0.00 C ATOM 646 C VAL A 46 0.788 1.629 3.618 1.00 0.00 C ATOM 647 O VAL A 46 1.033 0.513 4.074 1.00 0.00 O ATOM 648 CB VAL A 46 1.041 1.149 1.182 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.469 0.968 1.139 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.562 1.666 -0.151 1.00 0.00 C ATOM 0 H VAL A 46 3.358 1.286 2.539 1.00 0.00 H new ATOM 0 HA VAL A 46 1.084 3.106 2.087 1.00 0.00 H new ATOM 0 HB VAL A 46 1.494 0.176 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.731 0.291 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.812 0.550 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.947 1.934 0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.272 0.979 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.139 2.651 -0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.649 1.739 -0.113 1.00 0.00 H new ATOM 660 N GLU A 47 -0.043 2.485 4.204 1.00 0.00 N ATOM 661 CA GLU A 47 -0.729 2.152 5.447 1.00 0.00 C ATOM 662 C GLU A 47 -2.210 1.883 5.196 1.00 0.00 C ATOM 663 O GLU A 47 -2.981 2.803 4.922 1.00 0.00 O ATOM 664 CB GLU A 47 -0.571 3.286 6.462 1.00 0.00 C ATOM 665 CG GLU A 47 -1.030 2.918 7.863 1.00 0.00 C ATOM 666 CD GLU A 47 -0.936 4.080 8.833 1.00 0.00 C ATOM 667 OE1 GLU A 47 -1.202 5.226 8.412 1.00 0.00 O ATOM 668 OE2 GLU A 47 -0.595 3.845 10.011 1.00 0.00 O ATOM 0 H GLU A 47 -0.257 3.413 3.839 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.276 1.246 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.476 3.586 6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.138 4.151 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.061 2.566 7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.425 2.091 8.234 1.00 0.00 H new ATOM 675 N MET A 48 -2.600 0.616 5.292 1.00 0.00 N ATOM 676 CA MET A 48 -3.988 0.226 5.075 1.00 0.00 C ATOM 677 C MET A 48 -4.719 0.059 6.404 1.00 0.00 C ATOM 678 O MET A 48 -4.133 -0.376 7.395 1.00 0.00 O ATOM 679 CB MET A 48 -4.055 -1.077 4.276 1.00 0.00 C ATOM 680 CG MET A 48 -5.466 -1.621 4.118 1.00 0.00 C ATOM 681 SD MET A 48 -5.493 -3.390 3.772 1.00 0.00 S ATOM 682 CE MET A 48 -5.163 -4.059 5.401 1.00 0.00 C ATOM 0 H MET A 48 -1.975 -0.157 5.518 1.00 0.00 H new ATOM 0 HA MET A 48 -4.478 1.017 4.507 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.626 -0.910 3.288 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.438 -1.828 4.769 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.031 -1.424 5.029 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.968 -1.089 3.310 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.420 -4.853 5.325 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.785 -3.269 6.049 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.084 -4.464 5.822 1.00 0.00 H new ATOM 692 N SER A 49 -6.001 0.408 6.416 1.00 0.00 N ATOM 693 CA SER A 49 -6.811 0.301 7.624 1.00 0.00 C ATOM 694 C SER A 49 -8.261 -0.028 7.279 1.00 0.00 C ATOM 695 O SER A 49 -8.866 0.574 6.392 1.00 0.00 O ATOM 696 CB SER A 49 -6.748 1.604 8.423 1.00 0.00 C ATOM 697 OG SER A 49 -7.949 1.819 9.143 1.00 0.00 O ATOM 0 H SER A 49 -6.501 0.767 5.603 1.00 0.00 H new ATOM 0 HA SER A 49 -6.408 -0.509 8.231 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.907 1.570 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.571 2.441 7.747 1.00 0.00 H new ATOM 0 HG SER A 49 -7.883 2.657 9.647 1.00 0.00 H new ATOM 703 N PRO A 50 -8.832 -1.006 7.998 1.00 0.00 N ATOM 704 CA PRO A 50 -10.217 -1.437 7.787 1.00 0.00 C ATOM 705 C PRO A 50 -11.226 -0.385 8.235 1.00 0.00 C ATOM 706 O PRO A 50 -11.457 -0.203 9.430 1.00 0.00 O ATOM 707 CB PRO A 50 -10.333 -2.693 8.654 1.00 0.00 C ATOM 708 CG PRO A 50 -9.302 -2.518 9.715 1.00 0.00 C ATOM 709 CD PRO A 50 -8.170 -1.766 9.071 1.00 0.00 C ATOM 0 HA PRO A 50 -10.435 -1.608 6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.331 -2.787 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.151 -3.595 8.070 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.705 -1.965 10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.964 -3.483 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.670 -1.107 9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.412 -2.442 8.676 1.00 0.00 H new ATOM 717 N ILE A 51 -11.824 0.304 7.268 1.00 0.00 N ATOM 718 CA ILE A 51 -12.809 1.336 7.564 1.00 0.00 C ATOM 719 C ILE A 51 -13.677 0.943 8.755 1.00 0.00 C ATOM 720 O ILE A 51 -14.024 1.781 9.586 1.00 0.00 O ATOM 721 CB ILE A 51 -13.717 1.612 6.351 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.011 2.294 6.800 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.022 0.318 5.612 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.641 3.159 5.730 1.00 0.00 C ATOM 0 H ILE A 51 -11.643 0.166 6.274 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.253 2.242 7.806 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.194 2.282 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.727 1.531 7.107 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.803 2.908 7.677 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.665 0.530 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.091 -0.130 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.529 -0.374 6.284 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.554 3.611 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.943 3.944 5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.880 2.546 4.861 1.00 0.00 H new ATOM 736 N GLU A 52 -14.023 -0.339 8.831 1.00 0.00 N ATOM 737 CA GLU A 52 -14.850 -0.843 9.921 1.00 0.00 C ATOM 738 C GLU A 52 -14.264 -0.451 11.274 1.00 0.00 C ATOM 739 O GLU A 52 -14.979 0.016 12.161 1.00 0.00 O ATOM 740 CB GLU A 52 -14.978 -2.365 9.831 1.00 0.00 C ATOM 741 CG GLU A 52 -13.670 -3.069 9.510 1.00 0.00 C ATOM 742 CD GLU A 52 -13.803 -4.579 9.520 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.504 -5.108 10.408 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.205 -5.233 8.640 1.00 0.00 O ATOM 0 H GLU A 52 -13.744 -1.046 8.151 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.840 -0.396 9.829 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.363 -2.745 10.777 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.712 -2.615 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.318 -2.745 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.913 -2.770 10.235 1.00 0.00 H new ATOM 751 N LYS A 53 -12.958 -0.644 11.426 1.00 0.00 N ATOM 752 CA LYS A 53 -12.274 -0.311 12.669 1.00 0.00 C ATOM 753 C LYS A 53 -10.923 0.340 12.390 1.00 0.00 C ATOM 754 O LYS A 53 -10.218 -0.048 11.458 1.00 0.00 O ATOM 755 CB LYS A 53 -12.080 -1.567 13.521 1.00 0.00 C ATOM 756 CG LYS A 53 -11.969 -2.844 12.706 1.00 0.00 C ATOM 757 CD LYS A 53 -11.627 -4.037 13.583 1.00 0.00 C ATOM 758 CE LYS A 53 -10.122 -4.227 13.702 1.00 0.00 C ATOM 759 NZ LYS A 53 -9.555 -3.457 14.844 1.00 0.00 N ATOM 0 H LYS A 53 -12.352 -1.030 10.702 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.894 0.400 13.216 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.179 -1.451 14.124 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.917 -1.659 14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.910 -3.030 12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.203 -2.723 11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.057 -3.896 14.575 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.077 -4.938 13.166 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.899 -5.286 13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.642 -3.911 12.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.655 -3.886 15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.389 -2.473 14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.224 -3.473 15.640 1.00 0.00 H new ATOM 773 N ASP A 54 -10.569 1.330 13.202 1.00 0.00 N ATOM 774 CA ASP A 54 -9.301 2.033 13.043 1.00 0.00 C ATOM 775 C ASP A 54 -8.131 1.139 13.442 1.00 0.00 C ATOM 776 O ASP A 54 -7.713 1.127 14.600 1.00 0.00 O ATOM 777 CB ASP A 54 -9.293 3.310 13.884 1.00 0.00 C ATOM 778 CG ASP A 54 -7.890 3.753 14.250 1.00 0.00 C ATOM 779 OD1 ASP A 54 -7.239 4.413 13.413 1.00 0.00 O ATOM 780 OD2 ASP A 54 -7.443 3.440 15.373 1.00 0.00 O ATOM 0 H ASP A 54 -11.142 1.664 13.977 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.190 2.299 11.992 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.791 4.108 13.333 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.868 3.145 14.795 1.00 0.00 H new ATOM 785 N GLU A 55 -7.607 0.391 12.475 1.00 0.00 N ATOM 786 CA GLU A 55 -6.486 -0.507 12.727 1.00 0.00 C ATOM 787 C GLU A 55 -5.429 -0.377 11.635 1.00 0.00 C ATOM 788 O GLU A 55 -5.169 -1.310 10.874 1.00 0.00 O ATOM 789 CB GLU A 55 -6.973 -1.955 12.813 1.00 0.00 C ATOM 790 CG GLU A 55 -5.890 -2.938 13.225 1.00 0.00 C ATOM 791 CD GLU A 55 -6.457 -4.232 13.777 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.971 -5.042 12.977 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.386 -4.434 15.007 1.00 0.00 O ATOM 0 H GLU A 55 -7.941 0.389 11.511 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.035 -0.226 13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.794 -2.011 13.528 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.373 -2.253 11.844 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.259 -3.160 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.251 -2.475 13.977 1.00 0.00 H new ATOM 800 N PRO A 56 -4.805 0.807 11.553 1.00 0.00 N ATOM 801 CA PRO A 56 -3.766 1.087 10.557 1.00 0.00 C ATOM 802 C PRO A 56 -2.479 0.317 10.830 1.00 0.00 C ATOM 803 O PRO A 56 -2.133 0.056 11.982 1.00 0.00 O ATOM 804 CB PRO A 56 -3.530 2.593 10.705 1.00 0.00 C ATOM 805 CG PRO A 56 -3.937 2.904 12.104 1.00 0.00 C ATOM 806 CD PRO A 56 -5.064 1.963 12.427 1.00 0.00 C ATOM 0 HA PRO A 56 -4.070 0.786 9.555 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.485 2.849 10.530 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.121 3.159 9.985 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.104 2.765 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.257 3.942 12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.061 1.679 13.479 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.035 2.413 12.221 1.00 0.00 H new ATOM 814 N ARG A 57 -1.773 -0.043 9.763 1.00 0.00 N ATOM 815 CA ARG A 57 -0.524 -0.784 9.887 1.00 0.00 C ATOM 816 C ARG A 57 0.238 -0.792 8.566 1.00 0.00 C ATOM 817 O ARG A 57 -0.336 -0.542 7.506 1.00 0.00 O ATOM 818 CB ARG A 57 -0.801 -2.220 10.337 1.00 0.00 C ATOM 819 CG ARG A 57 -1.202 -3.147 9.202 1.00 0.00 C ATOM 820 CD ARG A 57 -2.616 -2.860 8.721 1.00 0.00 C ATOM 821 NE ARG A 57 -3.617 -3.581 9.504 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.917 -4.861 9.313 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.295 -5.558 8.372 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.839 -5.446 10.066 1.00 0.00 N ATOM 0 H ARG A 57 -2.045 0.167 8.803 1.00 0.00 H new ATOM 0 HA ARG A 57 0.091 -0.287 10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.090 -2.618 10.822 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.594 -2.211 11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.504 -3.032 8.373 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.133 -4.183 9.535 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.810 -1.789 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.706 -3.140 7.671 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.112 -3.074 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.584 -5.112 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.527 -6.541 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.318 -4.913 10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.069 -6.429 9.919 1.00 0.00 H new ATOM 838 N GLU A 58 1.534 -1.081 8.637 1.00 0.00 N ATOM 839 CA GLU A 58 2.374 -1.119 7.446 1.00 0.00 C ATOM 840 C GLU A 58 2.187 -2.432 6.690 1.00 0.00 C ATOM 841 O GLU A 58 2.620 -3.490 7.145 1.00 0.00 O ATOM 842 CB GLU A 58 3.846 -0.943 7.826 1.00 0.00 C ATOM 843 CG GLU A 58 4.785 -0.924 6.632 1.00 0.00 C ATOM 844 CD GLU A 58 6.159 -0.384 6.979 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.258 0.817 7.309 1.00 0.00 O ATOM 846 OE2 GLU A 58 7.134 -1.161 6.921 1.00 0.00 O ATOM 0 H GLU A 58 2.024 -1.292 9.506 1.00 0.00 H new ATOM 0 HA GLU A 58 2.073 -0.298 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.960 -0.012 8.382 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.139 -1.752 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.885 -1.935 6.237 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.348 -0.315 5.841 1.00 0.00 H new ATOM 853 N VAL A 59 1.538 -2.354 5.533 1.00 0.00 N ATOM 854 CA VAL A 59 1.293 -3.535 4.713 1.00 0.00 C ATOM 855 C VAL A 59 2.278 -3.612 3.552 1.00 0.00 C ATOM 856 O VAL A 59 2.403 -4.648 2.898 1.00 0.00 O ATOM 857 CB VAL A 59 -0.143 -3.542 4.154 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.157 -3.490 5.287 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.346 -2.381 3.192 1.00 0.00 C ATOM 0 H VAL A 59 1.172 -1.486 5.142 1.00 0.00 H new ATOM 0 HA VAL A 59 1.428 -4.402 5.359 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.296 -4.470 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.165 -3.496 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.025 -4.358 5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.008 -2.579 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.366 -2.402 2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.175 -1.440 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.357 -2.468 2.363 1.00 0.00 H new ATOM 869 N TYR A 60 2.977 -2.510 3.303 1.00 0.00 N ATOM 870 CA TYR A 60 3.951 -2.452 2.220 1.00 0.00 C ATOM 871 C TYR A 60 4.937 -1.308 2.434 1.00 0.00 C ATOM 872 O TYR A 60 4.604 -0.296 3.050 1.00 0.00 O ATOM 873 CB TYR A 60 3.241 -2.283 0.875 1.00 0.00 C ATOM 874 CG TYR A 60 4.186 -2.195 -0.302 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.673 -3.343 -0.914 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.593 -0.964 -0.801 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.537 -3.268 -1.989 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.455 -0.879 -1.877 1.00 0.00 C ATOM 879 CZ TYR A 60 5.924 -2.034 -2.468 1.00 0.00 C ATOM 880 OH TYR A 60 6.785 -1.954 -3.538 1.00 0.00 O ATOM 0 H TYR A 60 2.887 -1.645 3.836 1.00 0.00 H new ATOM 0 HA TYR A 60 4.506 -3.390 2.215 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.563 -3.123 0.724 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.629 -1.381 0.907 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.371 -4.311 -0.543 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.229 -0.058 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.907 -4.171 -2.452 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.760 0.086 -2.253 1.00 0.00 H new ATOM 0 HH TYR A 60 6.659 -2.734 -4.118 1.00 0.00 H new ATOM 890 N GLN A 61 6.151 -1.477 1.920 1.00 0.00 N ATOM 891 CA GLN A 61 7.186 -0.458 2.055 1.00 0.00 C ATOM 892 C GLN A 61 8.420 -0.825 1.237 1.00 0.00 C ATOM 893 O GLN A 61 9.035 -1.867 1.456 1.00 0.00 O ATOM 894 CB GLN A 61 7.568 -0.281 3.526 1.00 0.00 C ATOM 895 CG GLN A 61 8.652 0.760 3.752 1.00 0.00 C ATOM 896 CD GLN A 61 8.959 0.974 5.221 1.00 0.00 C ATOM 897 OE1 GLN A 61 8.407 2.039 5.792 1.00 0.00 O flip ATOM 898 NE2 GLN A 61 9.683 0.192 5.836 1.00 0.00 N flip ATOM 0 H GLN A 61 6.442 -2.309 1.407 1.00 0.00 H new ATOM 0 HA GLN A 61 6.787 0.483 1.675 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.680 0.002 4.092 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.907 -1.238 3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.561 0.450 3.236 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.340 1.706 3.308 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.086 -0.614 5.357 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.880 0.349 6.824 1.00 0.00 H new ATOM 907 N GLY A 62 8.777 0.041 0.293 1.00 0.00 N ATOM 908 CA GLY A 62 9.935 -0.210 -0.544 1.00 0.00 C ATOM 909 C GLY A 62 10.306 0.989 -1.394 1.00 0.00 C ATOM 910 O GLY A 62 10.277 2.126 -0.924 1.00 0.00 O ATOM 0 H GLY A 62 8.285 0.912 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.782 -0.482 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.733 -1.063 -1.192 1.00 0.00 H new ATOM 914 N SER A 63 10.659 0.734 -2.651 1.00 0.00 N ATOM 915 CA SER A 63 11.042 1.801 -3.568 1.00 0.00 C ATOM 916 C SER A 63 10.100 1.852 -4.767 1.00 0.00 C ATOM 917 O SER A 63 10.058 2.843 -5.494 1.00 0.00 O ATOM 918 CB SER A 63 12.482 1.599 -4.045 1.00 0.00 C ATOM 919 OG SER A 63 12.654 0.314 -4.619 1.00 0.00 O ATOM 0 H SER A 63 10.687 -0.201 -3.057 1.00 0.00 H new ATOM 0 HA SER A 63 10.973 2.748 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.737 2.365 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.167 1.720 -3.206 1.00 0.00 H new ATOM 0 HG SER A 63 13.582 0.211 -4.917 1.00 0.00 H new ATOM 925 N GLU A 64 9.347 0.775 -4.965 1.00 0.00 N ATOM 926 CA GLU A 64 8.406 0.696 -6.077 1.00 0.00 C ATOM 927 C GLU A 64 7.133 1.479 -5.768 1.00 0.00 C ATOM 928 O GLU A 64 6.922 1.923 -4.639 1.00 0.00 O ATOM 929 CB GLU A 64 8.059 -0.764 -6.378 1.00 0.00 C ATOM 930 CG GLU A 64 9.013 -1.427 -7.356 1.00 0.00 C ATOM 931 CD GLU A 64 8.358 -2.544 -8.145 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.486 -2.244 -8.987 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.717 -3.719 -7.919 1.00 0.00 O ATOM 0 H GLU A 64 9.370 -0.054 -4.371 1.00 0.00 H new ATOM 0 HA GLU A 64 8.881 1.137 -6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.058 -1.328 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.047 -0.813 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.398 -0.677 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.868 -1.826 -6.810 1.00 0.00 H new ATOM 940 N VAL A 65 6.288 1.646 -6.780 1.00 0.00 N ATOM 941 CA VAL A 65 5.035 2.375 -6.618 1.00 0.00 C ATOM 942 C VAL A 65 3.836 1.474 -6.888 1.00 0.00 C ATOM 943 O VAL A 65 2.755 1.950 -7.234 1.00 0.00 O ATOM 944 CB VAL A 65 4.970 3.594 -7.559 1.00 0.00 C ATOM 945 CG1 VAL A 65 6.180 4.492 -7.354 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.869 3.143 -9.008 1.00 0.00 C ATOM 0 H VAL A 65 6.448 1.286 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 65 5.000 2.720 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 65 4.076 4.170 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.117 5.347 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.202 4.843 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.090 3.930 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.824 4.016 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.743 2.544 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.968 2.545 -9.141 1.00 0.00 H new ATOM 956 N GLU A 66 4.035 0.169 -6.727 1.00 0.00 N ATOM 957 CA GLU A 66 2.968 -0.799 -6.954 1.00 0.00 C ATOM 958 C GLU A 66 3.219 -2.080 -6.163 1.00 0.00 C ATOM 959 O GLU A 66 4.315 -2.641 -6.202 1.00 0.00 O ATOM 960 CB GLU A 66 2.850 -1.121 -8.445 1.00 0.00 C ATOM 961 CG GLU A 66 4.135 -1.655 -9.055 1.00 0.00 C ATOM 962 CD GLU A 66 4.008 -1.920 -10.543 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.328 -1.130 -11.230 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.588 -2.918 -11.020 1.00 0.00 O ATOM 0 H GLU A 66 4.924 -0.241 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 66 2.032 -0.358 -6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.057 -1.855 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.550 -0.220 -8.980 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.939 -0.939 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.417 -2.578 -8.548 1.00 0.00 H new ATOM 971 N CYS A 67 2.197 -2.536 -5.447 1.00 0.00 N ATOM 972 CA CYS A 67 2.307 -3.750 -4.646 1.00 0.00 C ATOM 973 C CYS A 67 0.959 -4.457 -4.544 1.00 0.00 C ATOM 974 O CYS A 67 -0.038 -4.002 -5.107 1.00 0.00 O ATOM 975 CB CYS A 67 2.829 -3.417 -3.248 1.00 0.00 C ATOM 976 SG CYS A 67 1.561 -2.808 -2.111 1.00 0.00 S ATOM 0 H CYS A 67 1.284 -2.084 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 67 3.012 -4.420 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.286 -4.309 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.615 -2.666 -3.335 1.00 0.00 H new ATOM 0 HG CYS A 67 2.109 -2.030 -1.226 1.00 0.00 H new ATOM 982 N THR A 68 0.935 -5.573 -3.823 1.00 0.00 N ATOM 983 CA THR A 68 -0.288 -6.345 -3.649 1.00 0.00 C ATOM 984 C THR A 68 -0.532 -6.666 -2.179 1.00 0.00 C ATOM 985 O THR A 68 0.287 -7.318 -1.531 1.00 0.00 O ATOM 986 CB THR A 68 -0.241 -7.661 -4.449 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.099 -7.381 -5.846 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.500 -8.482 -4.216 1.00 0.00 C ATOM 0 H THR A 68 1.750 -5.963 -3.350 1.00 0.00 H new ATOM 0 HA THR A 68 -1.106 -5.729 -4.024 1.00 0.00 H new ATOM 0 HB THR A 68 0.618 -8.238 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.068 -8.223 -6.347 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.443 -9.406 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.589 -8.719 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.372 -7.910 -4.534 1.00 0.00 H new ATOM 996 N VAL A 69 -1.664 -6.204 -1.657 1.00 0.00 N ATOM 997 CA VAL A 69 -2.017 -6.443 -0.263 1.00 0.00 C ATOM 998 C VAL A 69 -2.745 -7.773 -0.100 1.00 0.00 C ATOM 999 O VAL A 69 -3.368 -8.270 -1.039 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.904 -5.313 0.294 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.039 -5.435 1.804 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.339 -3.954 -0.092 1.00 0.00 C ATOM 0 H VAL A 69 -2.352 -5.662 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.083 -6.472 0.299 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.898 -5.405 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.669 -4.628 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.492 -6.395 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.053 -5.369 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.978 -3.167 0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.334 -3.849 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.300 -3.871 -1.178 1.00 0.00 H new ATOM 1012 N SER A 70 -2.663 -8.344 1.097 1.00 0.00 N ATOM 1013 CA SER A 70 -3.311 -9.618 1.382 1.00 0.00 C ATOM 1014 C SER A 70 -3.692 -9.716 2.856 1.00 0.00 C ATOM 1015 O SER A 70 -3.454 -8.792 3.633 1.00 0.00 O ATOM 1016 CB SER A 70 -2.389 -10.780 1.004 1.00 0.00 C ATOM 1017 OG SER A 70 -1.351 -10.937 1.955 1.00 0.00 O ATOM 0 H SER A 70 -2.154 -7.944 1.885 1.00 0.00 H new ATOM 0 HA SER A 70 -4.221 -9.676 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.968 -11.701 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.959 -10.602 0.018 1.00 0.00 H new ATOM 0 HG SER A 70 -0.777 -11.686 1.692 1.00 0.00 H new ATOM 1023 N SER A 71 -4.287 -10.843 3.234 1.00 0.00 N ATOM 1024 CA SER A 71 -4.706 -11.062 4.613 1.00 0.00 C ATOM 1025 C SER A 71 -5.885 -10.163 4.972 1.00 0.00 C ATOM 1026 O SER A 71 -5.979 -9.661 6.093 1.00 0.00 O ATOM 1027 CB SER A 71 -3.540 -10.801 5.569 1.00 0.00 C ATOM 1028 OG SER A 71 -3.775 -11.395 6.834 1.00 0.00 O ATOM 0 H SER A 71 -4.490 -11.619 2.604 1.00 0.00 H new ATOM 0 HA SER A 71 -5.022 -12.101 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.620 -11.199 5.142 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.397 -9.727 5.689 1.00 0.00 H new ATOM 0 HG SER A 71 -4.636 -11.087 7.185 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.781 -9.962 4.013 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.955 -9.123 4.226 1.00 0.00 C ATOM 1036 C LEU A 72 -9.231 -9.959 4.215 1.00 0.00 C ATOM 1037 O LEU A 72 -9.184 -11.182 4.070 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.034 -8.039 3.150 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.697 -7.492 2.650 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.911 -6.554 1.472 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.959 -6.779 3.774 1.00 0.00 C ATOM 0 H LEU A 72 -6.717 -10.369 3.080 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.860 -8.650 5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.581 -8.441 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.620 -7.208 3.542 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.086 -8.330 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.948 -6.174 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.398 -7.095 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.541 -5.720 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.009 -6.396 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.566 -5.951 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.773 -7.479 4.588 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.370 -9.293 4.368 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.660 -9.974 4.374 1.00 0.00 C ATOM 1055 C LEU A 73 -12.473 -9.611 3.136 1.00 0.00 C ATOM 1056 O LEU A 73 -12.541 -8.453 2.725 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.444 -9.612 5.637 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.751 -9.912 6.966 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.513 -9.278 8.120 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.619 -11.414 7.172 1.00 0.00 C ATOM 0 H LEU A 73 -10.427 -8.282 4.490 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.476 -11.048 4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.676 -8.548 5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.394 -10.146 5.617 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.750 -9.481 6.938 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.005 -9.502 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.555 -8.198 7.979 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.526 -9.679 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.123 -11.609 8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.610 -11.869 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.029 -11.842 6.361 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.108 -10.624 2.526 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.930 -10.436 1.328 1.00 0.00 C ATOM 1074 C PRO A 74 -15.219 -9.677 1.622 1.00 0.00 C ATOM 1075 O PRO A 74 -15.738 -9.723 2.737 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.242 -11.867 0.884 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.141 -12.680 2.128 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.071 -12.030 2.961 1.00 0.00 C ATOM 0 HA PRO A 74 -13.417 -9.842 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.237 -11.937 0.445 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.535 -12.210 0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.092 -12.699 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.883 -13.714 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.277 -12.127 4.027 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.094 -12.480 2.783 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.732 -8.977 0.614 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.957 -8.217 0.786 1.00 0.00 C ATOM 1088 C GLY A 75 -16.838 -7.163 1.869 1.00 0.00 C ATOM 1089 O GLY A 75 -17.834 -6.775 2.480 1.00 0.00 O ATOM 0 H GLY A 75 -15.321 -8.923 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.218 -7.737 -0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.772 -8.898 1.034 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.616 -6.699 2.109 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.369 -5.683 3.125 1.00 0.00 C ATOM 1095 C LYS A 76 -14.489 -4.565 2.575 1.00 0.00 C ATOM 1096 O LYS A 76 -13.543 -4.816 1.827 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.706 -6.311 4.353 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.649 -7.164 5.184 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.587 -6.308 6.018 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.951 -5.914 7.343 1.00 0.00 C ATOM 1101 NZ LYS A 76 -16.975 -5.572 8.370 1.00 0.00 N ATOM 0 H LYS A 76 -14.781 -7.011 1.613 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.329 -5.256 3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.866 -6.925 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.298 -5.519 4.980 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.232 -7.809 4.527 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.070 -7.815 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.855 -5.411 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.511 -6.855 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.332 -6.734 7.707 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.291 -5.060 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.503 -5.342 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.528 -4.752 8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.610 -6.384 8.511 1.00 0.00 H new ATOM 1115 N THR A 77 -14.805 -3.330 2.951 1.00 0.00 N ATOM 1116 CA THR A 77 -14.043 -2.174 2.496 1.00 0.00 C ATOM 1117 C THR A 77 -12.824 -1.936 3.380 1.00 0.00 C ATOM 1118 O THR A 77 -12.784 -2.374 4.530 1.00 0.00 O ATOM 1119 CB THR A 77 -14.909 -0.900 2.482 1.00 0.00 C ATOM 1120 OG1 THR A 77 -16.026 -1.077 1.603 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.093 0.304 2.036 1.00 0.00 C ATOM 0 H THR A 77 -15.584 -3.105 3.570 1.00 0.00 H new ATOM 0 HA THR A 77 -13.715 -2.393 1.480 1.00 0.00 H new ATOM 0 HB THR A 77 -15.269 -0.720 3.495 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.573 -0.264 1.601 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.726 1.192 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.260 0.454 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.708 0.131 1.031 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.832 -1.239 2.837 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.611 -0.945 3.576 1.00 0.00 C ATOM 1131 C TYR A 78 -10.005 0.380 3.123 1.00 0.00 C ATOM 1132 O TYR A 78 -9.791 0.602 1.931 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.594 -2.072 3.392 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.886 -3.295 4.232 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.948 -4.136 3.925 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.099 -3.609 5.334 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.219 -5.253 4.691 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.361 -4.725 6.104 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.423 -5.544 5.779 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.689 -6.657 6.544 1.00 0.00 O ATOM 0 H TYR A 78 -11.850 -0.867 1.887 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.867 -0.865 4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.570 -2.361 2.341 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.601 -1.698 3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.573 -3.913 3.073 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.268 -2.969 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.050 -5.895 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.738 -4.956 6.956 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.034 -6.718 7.271 1.00 0.00 H new ATOM 1150 N SER A 79 -9.731 1.257 4.083 1.00 0.00 N ATOM 1151 CA SER A 79 -9.153 2.563 3.784 1.00 0.00 C ATOM 1152 C SER A 79 -7.637 2.467 3.648 1.00 0.00 C ATOM 1153 O SER A 79 -6.929 2.218 4.624 1.00 0.00 O ATOM 1154 CB SER A 79 -9.516 3.567 4.879 1.00 0.00 C ATOM 1155 OG SER A 79 -8.563 3.546 5.927 1.00 0.00 O ATOM 0 H SER A 79 -9.900 1.088 5.075 1.00 0.00 H new ATOM 0 HA SER A 79 -9.564 2.907 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.571 4.569 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.504 3.334 5.277 1.00 0.00 H new ATOM 0 HG SER A 79 -8.015 2.737 5.854 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.145 2.666 2.429 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.713 2.602 2.163 1.00 0.00 C ATOM 1163 C PHE A 80 -5.109 4.001 2.094 1.00 0.00 C ATOM 1164 O PHE A 80 -5.810 4.979 1.836 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.449 1.855 0.854 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.833 0.403 0.904 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.149 0.015 0.716 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.877 -0.572 1.139 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.505 -1.320 0.763 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.227 -1.908 1.186 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.543 -2.283 0.997 1.00 0.00 C ATOM 0 H PHE A 80 -7.717 2.873 1.610 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.240 2.062 2.983 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.001 2.341 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.390 1.934 0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.905 0.763 0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.847 -0.285 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.535 -1.610 0.617 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.472 -2.658 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.819 -3.327 1.032 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.803 4.088 2.327 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.104 5.367 2.293 1.00 0.00 C ATOM 1183 C ARG A 81 -1.717 5.212 1.677 1.00 0.00 C ATOM 1184 O ARG A 81 -1.292 4.104 1.347 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.986 5.946 3.704 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.181 6.790 4.118 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.418 6.722 5.619 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.406 7.463 6.367 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.607 7.957 7.583 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.776 7.789 8.186 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.638 8.621 8.200 1.00 0.00 N ATOM 0 H ARG A 81 -3.208 3.288 2.541 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.683 6.053 1.674 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.866 5.128 4.414 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.084 6.555 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.017 7.826 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.071 6.445 3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.405 7.124 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.415 5.680 5.940 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.495 7.609 5.932 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.524 7.279 7.716 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.927 8.170 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.737 8.753 7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.794 9.000 9.134 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.015 6.330 1.525 1.00 0.00 N ATOM 1206 CA LEU A 82 0.325 6.319 0.949 1.00 0.00 C ATOM 1207 C LEU A 82 1.154 7.486 1.476 1.00 0.00 C ATOM 1208 O LEU A 82 0.633 8.578 1.704 1.00 0.00 O ATOM 1209 CB LEU A 82 0.246 6.384 -0.578 1.00 0.00 C ATOM 1210 CG LEU A 82 1.576 6.556 -1.312 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.447 5.323 -1.134 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.337 6.833 -2.789 1.00 0.00 C ATOM 0 H LEU A 82 -1.351 7.255 1.793 1.00 0.00 H new ATOM 0 HA LEU A 82 0.812 5.389 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.228 5.470 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.408 7.212 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 82 2.099 7.410 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.389 5.464 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.646 5.168 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.931 4.452 -1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.294 6.953 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.793 5.999 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.752 7.746 -2.898 1.00 0.00 H new ATOM 1224 N ARG A 83 2.448 7.248 1.666 1.00 0.00 N ATOM 1225 CA ARG A 83 3.349 8.279 2.166 1.00 0.00 C ATOM 1226 C ARG A 83 4.765 8.064 1.640 1.00 0.00 C ATOM 1227 O ARG A 83 5.284 6.949 1.664 1.00 0.00 O ATOM 1228 CB ARG A 83 3.356 8.282 3.696 1.00 0.00 C ATOM 1229 CG ARG A 83 4.123 7.119 4.304 1.00 0.00 C ATOM 1230 CD ARG A 83 4.277 7.279 5.808 1.00 0.00 C ATOM 1231 NE ARG A 83 4.722 6.043 6.447 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.113 5.971 7.714 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.113 7.057 8.475 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.504 4.810 8.224 1.00 0.00 N ATOM 0 H ARG A 83 2.895 6.350 1.481 1.00 0.00 H new ATOM 0 HA ARG A 83 2.990 9.245 1.810 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.792 9.217 4.047 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.327 8.255 4.056 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.603 6.186 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.108 7.050 3.842 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.994 8.073 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.325 7.588 6.239 1.00 0.00 H new ATOM 0 HE ARG A 83 4.733 5.189 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.812 7.951 8.088 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.414 6.998 9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.504 3.972 7.643 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.804 4.756 9.197 1.00 0.00 H new ATOM 1248 N ALA A 84 5.384 9.140 1.165 1.00 0.00 N ATOM 1249 CA ALA A 84 6.740 9.070 0.635 1.00 0.00 C ATOM 1250 C ALA A 84 7.760 9.524 1.674 1.00 0.00 C ATOM 1251 O ALA A 84 7.456 10.346 2.538 1.00 0.00 O ATOM 1252 CB ALA A 84 6.858 9.913 -0.626 1.00 0.00 C ATOM 0 H ALA A 84 4.968 10.071 1.136 1.00 0.00 H new ATOM 0 HA ALA A 84 6.953 8.030 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.876 9.851 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.162 9.541 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.620 10.951 -0.393 1.00 0.00 H new ATOM 1258 N ALA A 85 8.970 8.983 1.584 1.00 0.00 N ATOM 1259 CA ALA A 85 10.035 9.334 2.516 1.00 0.00 C ATOM 1260 C ALA A 85 11.332 9.644 1.776 1.00 0.00 C ATOM 1261 O ALA A 85 11.713 8.932 0.848 1.00 0.00 O ATOM 1262 CB ALA A 85 10.252 8.210 3.517 1.00 0.00 C ATOM 0 H ALA A 85 9.238 8.300 0.875 1.00 0.00 H new ATOM 0 HA ALA A 85 9.731 10.232 3.055 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.050 8.486 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.332 8.038 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.530 7.299 2.987 1.00 0.00 H new ATOM 1268 N ASN A 86 12.006 10.711 2.193 1.00 0.00 N ATOM 1269 CA ASN A 86 13.260 11.115 1.569 1.00 0.00 C ATOM 1270 C ASN A 86 14.363 11.270 2.612 1.00 0.00 C ATOM 1271 O ASN A 86 14.141 11.050 3.803 1.00 0.00 O ATOM 1272 CB ASN A 86 13.075 12.430 0.808 1.00 0.00 C ATOM 1273 CG ASN A 86 12.398 13.494 1.650 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.331 13.384 2.874 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.891 14.533 0.995 1.00 0.00 N ATOM 0 H ASN A 86 11.704 11.311 2.961 1.00 0.00 H new ATOM 0 HA ASN A 86 13.555 10.335 0.868 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.047 12.796 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.482 12.248 -0.088 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.423 15.280 1.508 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.969 14.583 -0.021 1.00 0.00 H new ATOM 1282 N LYS A 87 15.551 11.650 2.156 1.00 0.00 N ATOM 1283 CA LYS A 87 16.689 11.836 3.049 1.00 0.00 C ATOM 1284 C LYS A 87 16.276 12.595 4.306 1.00 0.00 C ATOM 1285 O LYS A 87 16.937 12.506 5.341 1.00 0.00 O ATOM 1286 CB LYS A 87 17.809 12.592 2.330 1.00 0.00 C ATOM 1287 CG LYS A 87 17.317 13.768 1.505 1.00 0.00 C ATOM 1288 CD LYS A 87 18.460 14.455 0.775 1.00 0.00 C ATOM 1289 CE LYS A 87 19.262 15.347 1.710 1.00 0.00 C ATOM 1290 NZ LYS A 87 20.657 15.544 1.226 1.00 0.00 N ATOM 0 H LYS A 87 15.751 11.835 1.173 1.00 0.00 H new ATOM 0 HA LYS A 87 17.053 10.851 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.525 12.952 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.343 11.900 1.679 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.578 13.423 0.782 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.816 14.485 2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.116 13.704 0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.063 15.051 -0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.769 16.315 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.282 14.905 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 21.171 16.157 1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.136 14.623 1.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.639 15.989 0.286 1.00 0.00 H new ATOM 1304 N MET A 88 15.179 13.338 4.210 1.00 0.00 N ATOM 1305 CA MET A 88 14.677 14.109 5.341 1.00 0.00 C ATOM 1306 C MET A 88 13.886 13.221 6.296 1.00 0.00 C ATOM 1307 O MET A 88 14.228 13.098 7.472 1.00 0.00 O ATOM 1308 CB MET A 88 13.797 15.261 4.851 1.00 0.00 C ATOM 1309 CG MET A 88 14.466 16.132 3.801 1.00 0.00 C ATOM 1310 SD MET A 88 15.757 17.185 4.492 1.00 0.00 S ATOM 1311 CE MET A 88 17.123 16.030 4.584 1.00 0.00 C ATOM 0 H MET A 88 14.621 13.423 3.361 1.00 0.00 H new ATOM 0 HA MET A 88 15.533 14.518 5.878 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.874 14.853 4.438 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.518 15.882 5.702 1.00 0.00 H new ATOM 0 HG2 MET A 88 14.897 15.496 3.028 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.713 16.756 3.319 1.00 0.00 H new ATOM 0 HE1 MET A 88 17.230 15.674 5.609 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.929 15.184 3.924 1.00 0.00 H new ATOM 0 HE3 MET A 88 18.042 16.528 4.275 1.00 0.00 H new ATOM 1321 N GLY A 89 12.826 12.603 5.783 1.00 0.00 N ATOM 1322 CA GLY A 89 12.004 11.735 6.605 1.00 0.00 C ATOM 1323 C GLY A 89 10.710 11.343 5.920 1.00 0.00 C ATOM 1324 O GLY A 89 10.590 11.446 4.699 1.00 0.00 O ATOM 0 H GLY A 89 12.522 12.688 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.567 10.835 6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.776 12.238 7.545 1.00 0.00 H new ATOM 1328 N PHE A 90 9.740 10.889 6.706 1.00 0.00 N ATOM 1329 CA PHE A 90 8.449 10.477 6.167 1.00 0.00 C ATOM 1330 C PHE A 90 7.441 11.621 6.234 1.00 0.00 C ATOM 1331 O PHE A 90 7.334 12.309 7.248 1.00 0.00 O ATOM 1332 CB PHE A 90 7.915 9.266 6.935 1.00 0.00 C ATOM 1333 CG PHE A 90 8.395 7.951 6.389 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.573 7.384 6.848 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.667 7.282 5.419 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.017 6.175 6.347 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.106 6.072 4.915 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.282 5.517 5.380 1.00 0.00 C ATOM 0 H PHE A 90 9.823 10.797 7.718 1.00 0.00 H new ATOM 0 HA PHE A 90 8.591 10.202 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.214 9.348 7.980 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.825 9.283 6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.151 7.893 7.606 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.746 7.711 5.052 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.938 5.745 6.711 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.530 5.561 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.626 4.571 4.989 1.00 0.00 H new ATOM 1348 N GLY A 91 6.704 11.817 5.145 1.00 0.00 N ATOM 1349 CA GLY A 91 5.715 12.878 5.100 1.00 0.00 C ATOM 1350 C GLY A 91 4.323 12.388 5.445 1.00 0.00 C ATOM 1351 O GLY A 91 4.132 11.254 5.883 1.00 0.00 O ATOM 0 H GLY A 91 6.774 11.260 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.002 13.667 5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.705 13.319 4.103 1.00 0.00 H new ATOM 1355 N PRO A 92 3.320 13.257 5.248 1.00 0.00 N ATOM 1356 CA PRO A 92 1.921 12.929 5.536 1.00 0.00 C ATOM 1357 C PRO A 92 1.353 11.903 4.562 1.00 0.00 C ATOM 1358 O PRO A 92 1.736 11.865 3.392 1.00 0.00 O ATOM 1359 CB PRO A 92 1.202 14.271 5.378 1.00 0.00 C ATOM 1360 CG PRO A 92 2.061 15.053 4.445 1.00 0.00 C ATOM 1361 CD PRO A 92 3.475 14.626 4.729 1.00 0.00 C ATOM 0 HA PRO A 92 1.803 12.480 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.198 14.137 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.095 14.778 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.794 14.853 3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.937 16.124 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.090 14.647 3.829 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.954 15.280 5.458 1.00 0.00 H new ATOM 1369 N PHE A 93 0.439 11.071 5.051 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.181 10.044 4.223 1.00 0.00 C ATOM 1371 C PHE A 93 -1.153 10.663 3.223 1.00 0.00 C ATOM 1372 O PHE A 93 -1.600 11.797 3.397 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.913 9.025 5.099 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.055 7.864 5.513 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.304 6.889 4.596 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.392 7.746 6.819 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.093 5.819 4.973 1.00 0.00 C ATOM 1378 CE2 PHE A 93 1.182 6.679 7.202 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.532 5.714 6.278 1.00 0.00 C ATOM 0 H PHE A 93 0.112 11.088 6.017 1.00 0.00 H new ATOM 0 HA PHE A 93 0.608 9.536 3.668 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.286 9.527 5.992 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.781 8.650 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.037 6.966 3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.120 8.497 7.546 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.366 5.066 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.525 6.600 8.223 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.148 4.878 6.576 1.00 0.00 H new ATOM 1389 N SER A 94 -1.476 9.911 2.176 1.00 0.00 N ATOM 1390 CA SER A 94 -2.391 10.387 1.146 1.00 0.00 C ATOM 1391 C SER A 94 -3.841 10.239 1.597 1.00 0.00 C ATOM 1392 O SER A 94 -4.112 9.857 2.734 1.00 0.00 O ATOM 1393 CB SER A 94 -2.169 9.619 -0.158 1.00 0.00 C ATOM 1394 OG SER A 94 -2.553 8.261 -0.022 1.00 0.00 O ATOM 0 H SER A 94 -1.117 8.969 2.019 1.00 0.00 H new ATOM 0 HA SER A 94 -2.188 11.444 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.743 10.084 -0.960 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.119 9.676 -0.443 1.00 0.00 H new ATOM 0 HG SER A 94 -3.527 8.187 -0.105 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.769 10.544 0.695 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.191 10.445 1.000 1.00 0.00 C ATOM 1402 C GLU A 95 -6.602 8.992 1.215 1.00 0.00 C ATOM 1403 O GLU A 95 -6.288 8.119 0.405 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.022 11.060 -0.129 1.00 0.00 C ATOM 1405 CG GLU A 95 -7.195 12.564 -0.008 1.00 0.00 C ATOM 1406 CD GLU A 95 -8.446 12.947 0.760 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -8.499 12.683 1.979 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -9.372 13.512 0.140 1.00 0.00 O ATOM 0 H GLU A 95 -4.561 10.861 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.378 10.997 1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.547 10.833 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.005 10.590 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.323 12.987 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.236 13.003 -1.005 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.306 8.738 2.313 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.762 7.392 2.637 1.00 0.00 C ATOM 1417 C LYS A 96 -8.769 6.895 1.605 1.00 0.00 C ATOM 1418 O LYS A 96 -9.951 7.236 1.663 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.390 7.365 4.032 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.359 8.507 4.284 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.452 8.106 5.260 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.736 8.882 5.009 1.00 0.00 C ATOM 1423 NZ LYS A 96 -12.940 8.118 5.439 1.00 0.00 N ATOM 0 H LYS A 96 -7.573 9.448 2.994 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.896 6.730 2.622 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.914 6.419 4.168 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.597 7.401 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.816 9.366 4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.808 8.819 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.648 7.038 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.113 8.283 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.698 9.830 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.816 9.118 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.794 8.681 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.991 7.224 4.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.877 7.914 6.457 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.294 6.088 0.662 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.154 5.544 -0.383 1.00 0.00 C ATOM 1439 C CYS A 97 -9.817 4.250 0.077 1.00 0.00 C ATOM 1440 O CYS A 97 -9.139 3.282 0.423 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.347 5.292 -1.657 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.356 4.903 -3.106 1.00 0.00 S ATOM 0 H CYS A 97 -7.319 5.796 0.600 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.934 6.276 -0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.745 6.175 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.654 4.470 -1.479 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.583 4.709 -4.133 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.145 4.241 0.081 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.901 3.066 0.500 1.00 0.00 C ATOM 1450 C ASP A 98 -12.081 2.094 -0.662 1.00 0.00 C ATOM 1451 O ASP A 98 -12.719 2.420 -1.664 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.266 3.480 1.051 1.00 0.00 C ATOM 1453 CG ASP A 98 -14.327 3.560 -0.029 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -14.877 2.502 -0.398 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -14.606 4.680 -0.505 1.00 0.00 O ATOM 0 H ASP A 98 -11.721 5.034 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.338 2.564 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.579 2.765 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.178 4.449 1.542 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.516 0.900 -0.521 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.615 -0.119 -1.559 1.00 0.00 C ATOM 1462 C ILE A 99 -12.369 -1.345 -1.055 1.00 0.00 C ATOM 1463 O ILE A 99 -12.025 -1.919 -0.020 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.224 -0.554 -2.055 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.554 0.586 -2.825 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.337 -1.795 -2.928 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.101 0.322 -3.153 1.00 0.00 C ATOM 0 H ILE A 99 -10.985 0.614 0.302 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.164 0.327 -2.388 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.606 -0.797 -1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.102 0.759 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.625 1.501 -2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.345 -2.090 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.778 -2.607 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.969 -1.578 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.691 1.172 -3.699 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.540 0.179 -2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.024 -0.575 -3.767 1.00 0.00 H new ATOM 1479 N THR A 100 -13.399 -1.745 -1.794 1.00 0.00 N ATOM 1480 CA THR A 100 -14.201 -2.904 -1.423 1.00 0.00 C ATOM 1481 C THR A 100 -13.696 -4.166 -2.113 1.00 0.00 C ATOM 1482 O THR A 100 -13.701 -4.260 -3.341 1.00 0.00 O ATOM 1483 CB THR A 100 -15.686 -2.697 -1.780 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.076 -1.351 -1.487 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.568 -3.666 -1.007 1.00 0.00 C ATOM 0 H THR A 100 -13.697 -1.283 -2.653 1.00 0.00 H new ATOM 0 HA THR A 100 -14.107 -3.021 -0.343 1.00 0.00 H new ATOM 0 HB THR A 100 -15.812 -2.888 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.077 -1.215 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.612 -3.501 -1.275 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.287 -4.690 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.438 -3.502 0.063 1.00 0.00 H new ATOM 1493 N THR A 101 -13.261 -5.137 -1.316 1.00 0.00 N ATOM 1494 CA THR A 101 -12.752 -6.394 -1.850 1.00 0.00 C ATOM 1495 C THR A 101 -13.846 -7.164 -2.581 1.00 0.00 C ATOM 1496 O THR A 101 -14.985 -6.706 -2.673 1.00 0.00 O ATOM 1497 CB THR A 101 -12.172 -7.284 -0.735 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.131 -7.441 0.316 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.891 -6.683 -0.175 1.00 0.00 C ATOM 0 H THR A 101 -13.251 -5.077 -0.298 1.00 0.00 H new ATOM 0 HA THR A 101 -11.958 -6.140 -2.553 1.00 0.00 H new ATOM 0 HB THR A 101 -11.941 -8.260 -1.162 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.669 -7.677 1.148 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.499 -7.329 0.611 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.153 -6.593 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.102 -5.696 0.238 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.493 -8.335 -3.101 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.446 -9.169 -3.821 1.00 0.00 C ATOM 1509 C ALA A 102 -15.364 -9.913 -2.857 1.00 0.00 C ATOM 1510 O ALA A 102 -15.001 -10.206 -1.718 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.712 -10.154 -4.720 1.00 0.00 C ATOM 0 H ALA A 102 -12.554 -8.727 -3.037 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.064 -8.519 -4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.436 -10.771 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.104 -9.606 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.069 -10.791 -4.113 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.583 -10.225 -3.322 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.578 -10.938 -2.516 1.00 0.00 C ATOM 1519 C PRO A 103 -17.191 -12.393 -2.271 1.00 0.00 C ATOM 1520 O PRO A 103 -17.943 -13.151 -1.659 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.848 -10.859 -3.367 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.357 -10.701 -4.765 1.00 0.00 C ATOM 1523 CD PRO A 103 -17.083 -9.907 -4.669 1.00 0.00 C ATOM 0 HA PRO A 103 -17.686 -10.501 -1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.454 -11.759 -3.259 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.473 -10.017 -3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.178 -11.671 -5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -19.093 -10.185 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.370 -10.197 -5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.265 -8.839 -4.788 1.00 0.00 H new ATOM 1531 N GLY A 104 -16.013 -12.776 -2.752 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.547 -14.139 -2.574 1.00 0.00 C ATOM 1533 C GLY A 104 -16.355 -15.138 -3.379 1.00 0.00 C ATOM 1534 O GLY A 104 -16.845 -16.129 -2.839 1.00 0.00 O ATOM 0 H GLY A 104 -15.373 -12.167 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.499 -14.203 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.598 -14.402 -1.517 1.00 0.00 H new