USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 554 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 40 SER OG : rot 121:sc= 0.12 USER MOD Set 1.2: A 90 ASN : amide:sc= -7.4! C(o=-7.3!,f=-8!) USER MOD Set 2.1: A 52 SER OG : rot -101:sc= -0.084 USER MOD Set 2.2: A 55 SER OG : rot 45:sc= 1.07 USER MOD Set 3.1: A 53 THR OG1 : rot -169:sc= -0.594 USER MOD Set 3.2: A 70 THR OG1 : rot -7:sc= 1.25 USER MOD Set 4.1: A 15 SER OG : rot 28:sc= -9.18! USER MOD Set 4.2: A 30 SER OG : rot 120:sc= -6.04! USER MOD Single : A 10 GLN :FLIP amide:sc= -0.945 F(o=-2.5,f=-0.95) USER MOD Single : A 12 SER OG : rot 147:sc= 1.08 USER MOD Single : A 14 ASN :FLIP amide:sc= -1.67 F(o=-4.4!,f=-1.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.945 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.142 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 36:sc= 0.194 USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.0146 USER MOD Single : A 38 THR OG1 : rot -47:sc= 1.25 USER MOD Single : A 46 THR OG1 : rot -20:sc= 0.0437 USER MOD Single : A 48 THR OG1 : rot -130:sc= -1.37 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 34:sc= 1.14 USER MOD Single : A 51 THR OG1 : rot -144:sc= -1.7! USER MOD Single : A 58 SER OG : rot 180:sc= -4.32! USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.619 (180deg=-0.709) USER MOD Single : A 65 SER OG : rot -5:sc= -0.152! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= -0.27! (180deg=-2.19!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 50.863 -3.254 -4.944 1.00 0.00 N ATOM 111 CA GLN A 10 50.132 -3.455 -3.661 1.00 0.00 C ATOM 112 C GLN A 10 50.728 -2.596 -2.539 1.00 0.00 C ATOM 113 O GLN A 10 51.754 -2.920 -1.976 1.00 0.00 O ATOM 114 CB GLN A 10 50.316 -4.938 -3.338 1.00 0.00 C ATOM 115 CG GLN A 10 49.000 -5.684 -3.565 1.00 0.00 C ATOM 116 CD GLN A 10 49.294 -7.085 -4.106 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.175 -7.232 -5.058 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 48.718 -8.056 -3.657 1.00 0.00 N flip ATOM 0 HA GLN A 10 49.084 -3.167 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 10 51.099 -5.362 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.639 -5.057 -2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 10 48.443 -5.753 -2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.375 -5.135 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 10 48.030 -7.942 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.923 -8.985 -4.024 1.00 0.00 H new ATOM 127 N LEU A 11 50.076 -1.518 -2.194 1.00 0.00 N ATOM 128 CA LEU A 11 50.584 -0.654 -1.091 1.00 0.00 C ATOM 129 C LEU A 11 49.769 -0.928 0.176 1.00 0.00 C ATOM 130 O LEU A 11 48.693 -0.395 0.361 1.00 0.00 O ATOM 131 CB LEU A 11 50.374 0.785 -1.568 1.00 0.00 C ATOM 132 CG LEU A 11 51.039 1.748 -0.580 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.452 1.256 -0.257 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.123 3.146 -1.198 1.00 0.00 C ATOM 0 H LEU A 11 49.211 -1.198 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 11 51.632 -0.842 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 11 50.799 0.916 -2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.309 1.003 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 11 50.446 1.788 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.924 1.942 0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.399 0.262 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.041 1.213 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.597 3.828 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.713 3.104 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.119 3.503 -1.429 1.00 0.00 H new ATOM 146 N SER A 12 50.271 -1.777 1.035 1.00 0.00 N ATOM 147 CA SER A 12 49.533 -2.121 2.289 1.00 0.00 C ATOM 148 C SER A 12 48.796 -0.899 2.849 1.00 0.00 C ATOM 149 O SER A 12 49.336 0.187 2.930 1.00 0.00 O ATOM 150 CB SER A 12 50.614 -2.596 3.262 1.00 0.00 C ATOM 151 OG SER A 12 50.659 -1.727 4.387 1.00 0.00 O ATOM 0 H SER A 12 51.167 -2.251 0.921 1.00 0.00 H new ATOM 0 HA SER A 12 48.771 -2.881 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.404 -3.615 3.586 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.583 -2.613 2.764 1.00 0.00 H new ATOM 0 HG SER A 12 50.895 -2.240 5.188 1.00 0.00 H new ATOM 157 N ALA A 13 47.561 -1.075 3.238 1.00 0.00 N ATOM 158 CA ALA A 13 46.775 0.062 3.794 1.00 0.00 C ATOM 159 C ALA A 13 47.580 0.797 4.867 1.00 0.00 C ATOM 160 O ALA A 13 47.314 1.940 5.185 1.00 0.00 O ATOM 161 CB ALA A 13 45.534 -0.585 4.409 1.00 0.00 C ATOM 0 H ALA A 13 47.061 -1.963 3.194 1.00 0.00 H new ATOM 0 HA ALA A 13 46.522 0.799 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 13 44.898 0.187 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 13 44.981 -1.118 3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.837 -1.285 5.187 1.00 0.00 H new ATOM 167 N ASN A 14 48.558 0.147 5.437 1.00 0.00 N ATOM 168 CA ASN A 14 49.371 0.806 6.498 1.00 0.00 C ATOM 169 C ASN A 14 50.661 1.396 5.915 1.00 0.00 C ATOM 170 O ASN A 14 51.434 2.019 6.615 1.00 0.00 O ATOM 171 CB ASN A 14 49.687 -0.317 7.488 1.00 0.00 C ATOM 172 CG ASN A 14 50.829 0.112 8.410 1.00 0.00 C ATOM 173 OD1 ASN A 14 52.054 0.102 7.962 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 50.603 0.455 9.553 1.00 0.00 N flip ATOM 0 H ASN A 14 48.829 -0.811 5.214 1.00 0.00 H new ATOM 0 HA ASN A 14 48.844 1.637 6.966 1.00 0.00 H new ATOM 0 HB2 ASN A 14 48.801 -0.555 8.077 1.00 0.00 H new ATOM 0 HB3 ASN A 14 49.964 -1.223 6.948 1.00 0.00 H new ATOM 0 HD21 ASN A 14 49.645 0.463 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.371 0.735 10.163 1.00 0.00 H new ATOM 181 N SER A 15 50.905 1.215 4.644 1.00 0.00 N ATOM 182 CA SER A 15 52.153 1.780 4.048 1.00 0.00 C ATOM 183 C SER A 15 52.031 3.303 3.917 1.00 0.00 C ATOM 184 O SER A 15 51.125 3.908 4.455 1.00 0.00 O ATOM 185 CB SER A 15 52.288 1.119 2.674 1.00 0.00 C ATOM 186 OG SER A 15 53.557 1.446 2.123 1.00 0.00 O ATOM 0 H SER A 15 50.302 0.706 3.998 1.00 0.00 H new ATOM 0 HA SER A 15 53.029 1.586 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.185 0.038 2.765 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.492 1.460 2.013 1.00 0.00 H new ATOM 0 HG SER A 15 54.194 1.615 2.848 1.00 0.00 H new ATOM 192 N LYS A 16 52.941 3.929 3.219 1.00 0.00 N ATOM 193 CA LYS A 16 52.870 5.415 3.075 1.00 0.00 C ATOM 194 C LYS A 16 53.466 5.866 1.736 1.00 0.00 C ATOM 195 O LYS A 16 54.560 5.483 1.370 1.00 0.00 O ATOM 196 CB LYS A 16 53.710 5.959 4.234 1.00 0.00 C ATOM 197 CG LYS A 16 52.844 6.858 5.120 1.00 0.00 C ATOM 198 CD LYS A 16 52.752 6.255 6.524 1.00 0.00 C ATOM 199 CE LYS A 16 51.426 6.663 7.171 1.00 0.00 C ATOM 200 NZ LYS A 16 51.583 6.322 8.613 1.00 0.00 N ATOM 0 H LYS A 16 53.725 3.481 2.745 1.00 0.00 H new ATOM 0 HA LYS A 16 51.841 5.775 3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 54.115 5.135 4.821 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.559 6.522 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 16 53.273 7.859 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 16 51.847 6.959 4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 52.823 5.169 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 16 53.587 6.599 7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 16 51.231 7.727 7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 50.588 6.126 6.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 50.713 6.573 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 51.761 5.302 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 52.384 6.853 9.010 1.00 0.00 H new ATOM 214 N CYS A 17 52.760 6.693 1.012 1.00 0.00 N ATOM 215 CA CYS A 17 53.287 7.189 -0.293 1.00 0.00 C ATOM 216 C CYS A 17 52.956 8.675 -0.455 1.00 0.00 C ATOM 217 O CYS A 17 52.367 9.287 0.415 1.00 0.00 O ATOM 218 CB CYS A 17 52.581 6.356 -1.366 1.00 0.00 C ATOM 219 SG CYS A 17 50.788 6.401 -1.101 1.00 0.00 S ATOM 0 H CYS A 17 51.839 7.047 1.269 1.00 0.00 H new ATOM 0 HA CYS A 17 54.370 7.090 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 17 52.821 6.744 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 17 52.937 5.326 -1.332 1.00 0.00 H new ATOM 0 HG CYS A 17 50.196 5.694 -2.017 1.00 0.00 H new ATOM 224 N GLU A 18 53.337 9.262 -1.556 1.00 0.00 N ATOM 225 CA GLU A 18 53.052 10.711 -1.771 1.00 0.00 C ATOM 226 C GLU A 18 53.815 11.211 -2.999 1.00 0.00 C ATOM 227 O GLU A 18 53.270 11.326 -4.079 1.00 0.00 O ATOM 228 CB GLU A 18 53.560 11.405 -0.506 1.00 0.00 C ATOM 229 CG GLU A 18 52.385 12.049 0.233 1.00 0.00 C ATOM 230 CD GLU A 18 52.796 13.430 0.743 1.00 0.00 C ATOM 231 OE1 GLU A 18 53.940 13.577 1.144 1.00 0.00 O ATOM 232 OE2 GLU A 18 51.962 14.320 0.723 1.00 0.00 O ATOM 0 H GLU A 18 53.834 8.801 -2.318 1.00 0.00 H new ATOM 0 HA GLU A 18 51.994 10.908 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 18 54.059 10.684 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.298 12.163 -0.767 1.00 0.00 H new ATOM 0 HG2 GLU A 18 51.527 12.137 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.077 11.419 1.067 1.00 0.00 H new ATOM 239 N LYS A 19 55.076 11.499 -2.842 1.00 0.00 N ATOM 240 CA LYS A 19 55.886 11.978 -3.996 1.00 0.00 C ATOM 241 C LYS A 19 57.093 11.061 -4.191 1.00 0.00 C ATOM 242 O LYS A 19 58.023 11.379 -4.906 1.00 0.00 O ATOM 243 CB LYS A 19 56.335 13.388 -3.613 1.00 0.00 C ATOM 244 CG LYS A 19 55.854 14.380 -4.672 1.00 0.00 C ATOM 245 CD LYS A 19 56.990 14.663 -5.657 1.00 0.00 C ATOM 246 CE LYS A 19 56.575 15.789 -6.605 1.00 0.00 C ATOM 247 NZ LYS A 19 57.289 15.502 -7.881 1.00 0.00 N ATOM 0 H LYS A 19 55.583 11.423 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 19 55.325 11.977 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.932 13.657 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.421 13.426 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.992 13.974 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.530 15.306 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 19 57.893 14.944 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.225 13.763 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 19 55.495 15.803 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 19 56.856 16.764 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.054 16.233 -8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 58.315 15.501 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.997 14.571 -8.240 1.00 0.00 H new ATOM 261 N SER A 20 57.083 9.924 -3.552 1.00 0.00 N ATOM 262 CA SER A 20 58.225 8.977 -3.686 1.00 0.00 C ATOM 263 C SER A 20 58.148 8.239 -5.023 1.00 0.00 C ATOM 264 O SER A 20 57.693 8.772 -6.015 1.00 0.00 O ATOM 265 CB SER A 20 58.062 7.995 -2.526 1.00 0.00 C ATOM 266 OG SER A 20 57.120 8.513 -1.595 1.00 0.00 O ATOM 0 H SER A 20 56.330 9.609 -2.940 1.00 0.00 H new ATOM 0 HA SER A 20 59.188 9.487 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.726 7.027 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 20 59.022 7.832 -2.036 1.00 0.00 H new ATOM 0 HG SER A 20 57.014 7.883 -0.852 1.00 0.00 H new ATOM 272 N THR A 21 58.594 7.013 -5.055 1.00 0.00 N ATOM 273 CA THR A 21 58.550 6.240 -6.328 1.00 0.00 C ATOM 274 C THR A 21 58.472 4.738 -6.036 1.00 0.00 C ATOM 275 O THR A 21 59.475 4.058 -5.948 1.00 0.00 O ATOM 276 CB THR A 21 59.859 6.582 -7.039 1.00 0.00 C ATOM 277 OG1 THR A 21 59.812 7.929 -7.491 1.00 0.00 O ATOM 278 CG2 THR A 21 60.051 5.646 -8.233 1.00 0.00 C ATOM 0 H THR A 21 58.986 6.514 -4.256 1.00 0.00 H new ATOM 0 HA THR A 21 57.678 6.488 -6.933 1.00 0.00 H new ATOM 0 HB THR A 21 60.693 6.460 -6.348 1.00 0.00 H new ATOM 0 HG1 THR A 21 60.651 8.151 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 21 60.985 5.890 -8.740 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.086 4.614 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.219 5.766 -8.927 1.00 0.00 H new ATOM 286 N LEU A 22 57.287 4.214 -5.890 1.00 0.00 N ATOM 287 CA LEU A 22 57.142 2.757 -5.610 1.00 0.00 C ATOM 288 C LEU A 22 56.635 2.040 -6.864 1.00 0.00 C ATOM 289 O LEU A 22 55.446 1.922 -7.080 1.00 0.00 O ATOM 290 CB LEU A 22 56.108 2.673 -4.487 1.00 0.00 C ATOM 291 CG LEU A 22 56.780 2.950 -3.140 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.637 1.751 -2.738 1.00 0.00 C ATOM 293 CD2 LEU A 22 57.667 4.193 -3.251 1.00 0.00 C ATOM 0 H LEU A 22 56.411 4.732 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 22 58.084 2.287 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 22 55.310 3.395 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 22 55.648 1.685 -4.478 1.00 0.00 H new ATOM 0 HG LEU A 22 56.012 3.119 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 22 58.115 1.950 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 22 57.007 0.866 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 22 58.402 1.580 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 58.144 4.387 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 22 58.433 4.027 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 22 57.057 5.051 -3.533 1.00 0.00 H new ATOM 305 N THR A 23 57.524 1.572 -7.699 1.00 0.00 N ATOM 306 CA THR A 23 57.086 0.880 -8.951 1.00 0.00 C ATOM 307 C THR A 23 56.996 -0.638 -8.743 1.00 0.00 C ATOM 308 O THR A 23 57.829 -1.238 -8.093 1.00 0.00 O ATOM 309 CB THR A 23 58.165 1.219 -9.984 1.00 0.00 C ATOM 310 OG1 THR A 23 58.456 2.611 -9.935 1.00 0.00 O ATOM 311 CG2 THR A 23 57.665 0.854 -11.383 1.00 0.00 C ATOM 0 H THR A 23 58.534 1.638 -7.571 1.00 0.00 H new ATOM 0 HA THR A 23 56.094 1.203 -9.266 1.00 0.00 H new ATOM 0 HB THR A 23 59.069 0.652 -9.759 1.00 0.00 H new ATOM 0 HG1 THR A 23 59.148 2.824 -10.596 1.00 0.00 H new ATOM 0 HG21 THR A 23 58.433 1.095 -12.118 1.00 0.00 H new ATOM 0 HG22 THR A 23 57.446 -0.213 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 23 56.760 1.419 -11.605 1.00 0.00 H new ATOM 319 N ASN A 24 55.982 -1.253 -9.301 1.00 0.00 N ATOM 320 CA ASN A 24 55.805 -2.733 -9.159 1.00 0.00 C ATOM 321 C ASN A 24 56.222 -3.197 -7.764 1.00 0.00 C ATOM 322 O ASN A 24 56.852 -4.223 -7.606 1.00 0.00 O ATOM 323 CB ASN A 24 56.720 -3.359 -10.212 1.00 0.00 C ATOM 324 CG ASN A 24 56.014 -3.362 -11.568 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.651 -2.229 -12.105 1.00 0.00 O flip ATOM 326 ND2 ASN A 24 55.789 -4.408 -12.145 1.00 0.00 N flip ATOM 0 H ASN A 24 55.262 -0.788 -9.854 1.00 0.00 H new ATOM 0 HA ASN A 24 54.763 -3.023 -9.295 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.653 -2.799 -10.277 1.00 0.00 H new ATOM 0 HB3 ASN A 24 56.980 -4.378 -9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.073 -5.293 -11.725 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.317 -4.400 -13.049 1.00 0.00 H new ATOM 333 N CYS A 25 55.882 -2.452 -6.752 1.00 0.00 N ATOM 334 CA CYS A 25 56.272 -2.859 -5.374 1.00 0.00 C ATOM 335 C CYS A 25 55.295 -3.903 -4.821 1.00 0.00 C ATOM 336 O CYS A 25 54.688 -4.661 -5.551 1.00 0.00 O ATOM 337 CB CYS A 25 56.215 -1.575 -4.542 1.00 0.00 C ATOM 338 SG CYS A 25 57.757 -1.396 -3.609 1.00 0.00 S ATOM 0 H CYS A 25 55.353 -1.582 -6.818 1.00 0.00 H new ATOM 0 HA CYS A 25 57.262 -3.315 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.068 -0.713 -5.193 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.366 -1.608 -3.860 1.00 0.00 H new ATOM 343 N TYR A 26 55.157 -3.938 -3.529 1.00 0.00 N ATOM 344 CA TYR A 26 54.243 -4.914 -2.868 1.00 0.00 C ATOM 345 C TYR A 26 54.347 -4.675 -1.364 1.00 0.00 C ATOM 346 O TYR A 26 54.447 -5.587 -0.569 1.00 0.00 O ATOM 347 CB TYR A 26 54.785 -6.294 -3.251 1.00 0.00 C ATOM 348 CG TYR A 26 53.835 -7.373 -2.783 1.00 0.00 C ATOM 349 CD1 TYR A 26 52.791 -7.802 -3.614 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.006 -7.952 -1.521 1.00 0.00 C ATOM 351 CE1 TYR A 26 51.920 -8.809 -3.180 1.00 0.00 C ATOM 352 CE2 TYR A 26 53.134 -8.957 -1.087 1.00 0.00 C ATOM 353 CZ TYR A 26 52.091 -9.386 -1.916 1.00 0.00 C ATOM 354 OH TYR A 26 51.233 -10.378 -1.487 1.00 0.00 O ATOM 0 H TYR A 26 55.649 -3.318 -2.886 1.00 0.00 H new ATOM 0 HA TYR A 26 53.198 -4.823 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.914 -6.356 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.768 -6.444 -2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 26 52.658 -7.356 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 26 54.812 -7.623 -0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 26 51.116 -9.141 -3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 26 53.266 -9.402 -0.112 1.00 0.00 H new ATOM 0 HH TYR A 26 51.493 -10.669 -0.588 1.00 0.00 H new ATOM 364 N VAL A 27 54.361 -3.427 -0.995 1.00 0.00 N ATOM 365 CA VAL A 27 54.502 -3.043 0.440 1.00 0.00 C ATOM 366 C VAL A 27 53.458 -3.736 1.321 1.00 0.00 C ATOM 367 O VAL A 27 52.357 -4.025 0.896 1.00 0.00 O ATOM 368 CB VAL A 27 54.287 -1.528 0.460 1.00 0.00 C ATOM 369 CG1 VAL A 27 54.738 -0.972 1.811 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.102 -0.867 -0.659 1.00 0.00 C ATOM 0 H VAL A 27 54.279 -2.640 -1.638 1.00 0.00 H new ATOM 0 HA VAL A 27 55.473 -3.340 0.836 1.00 0.00 H new ATOM 0 HB VAL A 27 53.229 -1.314 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 27 54.586 0.107 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 27 54.155 -1.434 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 27 55.795 -1.192 1.961 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.943 0.211 -0.637 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.161 -1.080 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 27 54.782 -1.261 -1.624 1.00 0.00 H new ATOM 380 N ASP A 28 53.806 -3.984 2.555 1.00 0.00 N ATOM 381 CA ASP A 28 52.853 -4.638 3.500 1.00 0.00 C ATOM 382 C ASP A 28 52.802 -3.847 4.816 1.00 0.00 C ATOM 383 O ASP A 28 51.802 -3.824 5.502 1.00 0.00 O ATOM 384 CB ASP A 28 53.421 -6.040 3.734 1.00 0.00 C ATOM 385 CG ASP A 28 52.400 -7.088 3.289 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.358 -7.380 2.105 1.00 0.00 O ATOM 387 OD2 ASP A 28 51.677 -7.583 4.138 1.00 0.00 O ATOM 0 H ASP A 28 54.718 -3.760 2.953 1.00 0.00 H new ATOM 0 HA ASP A 28 51.837 -4.677 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.350 -6.164 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 28 53.660 -6.175 4.789 1.00 0.00 H new ATOM 392 N LYS A 29 53.881 -3.192 5.164 1.00 0.00 N ATOM 393 CA LYS A 29 53.917 -2.389 6.422 1.00 0.00 C ATOM 394 C LYS A 29 55.178 -1.523 6.434 1.00 0.00 C ATOM 395 O LYS A 29 56.090 -1.748 7.206 1.00 0.00 O ATOM 396 CB LYS A 29 53.965 -3.412 7.559 1.00 0.00 C ATOM 397 CG LYS A 29 52.618 -3.431 8.289 1.00 0.00 C ATOM 398 CD LYS A 29 52.551 -4.642 9.223 1.00 0.00 C ATOM 399 CE LYS A 29 52.981 -5.900 8.465 1.00 0.00 C ATOM 400 NZ LYS A 29 52.375 -7.033 9.220 1.00 0.00 N ATOM 0 H LYS A 29 54.746 -3.180 4.624 1.00 0.00 H new ATOM 0 HA LYS A 29 53.057 -1.727 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.189 -4.402 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.764 -3.160 8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.491 -2.512 8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.803 -3.472 7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.199 -4.485 10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 29 51.537 -4.764 9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.628 -5.879 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 29 54.067 -5.987 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.626 -7.931 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.735 -7.032 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.340 -6.928 9.232 1.00 0.00 H new ATOM 414 N SER A 30 55.250 -0.546 5.571 1.00 0.00 N ATOM 415 CA SER A 30 56.469 0.312 5.528 1.00 0.00 C ATOM 416 C SER A 30 56.120 1.776 5.279 1.00 0.00 C ATOM 417 O SER A 30 55.013 2.121 4.916 1.00 0.00 O ATOM 418 CB SER A 30 57.282 -0.226 4.356 1.00 0.00 C ATOM 419 OG SER A 30 56.604 0.065 3.148 1.00 0.00 O ATOM 0 H SER A 30 54.522 -0.306 4.898 1.00 0.00 H new ATOM 0 HA SER A 30 57.007 0.279 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.274 0.225 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.422 -1.302 4.458 1.00 0.00 H new ATOM 0 HG SER A 30 57.173 0.625 2.580 1.00 0.00 H new ATOM 425 N GLU A 31 57.086 2.631 5.451 1.00 0.00 N ATOM 426 CA GLU A 31 56.875 4.083 5.205 1.00 0.00 C ATOM 427 C GLU A 31 57.912 4.545 4.187 1.00 0.00 C ATOM 428 O GLU A 31 59.095 4.527 4.450 1.00 0.00 O ATOM 429 CB GLU A 31 57.102 4.761 6.559 1.00 0.00 C ATOM 430 CG GLU A 31 55.759 5.190 7.148 1.00 0.00 C ATOM 431 CD GLU A 31 55.929 5.504 8.635 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.056 5.478 9.102 1.00 0.00 O ATOM 433 OE2 GLU A 31 54.929 5.766 9.283 1.00 0.00 O ATOM 0 H GLU A 31 58.027 2.382 5.756 1.00 0.00 H new ATOM 0 HA GLU A 31 55.885 4.318 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.607 4.076 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.752 5.628 6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.383 6.067 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.022 4.398 7.015 1.00 0.00 H new ATOM 440 N VAL A 32 57.489 4.922 3.015 1.00 0.00 N ATOM 441 CA VAL A 32 58.470 5.343 1.977 1.00 0.00 C ATOM 442 C VAL A 32 58.342 6.837 1.672 1.00 0.00 C ATOM 443 O VAL A 32 57.277 7.413 1.771 1.00 0.00 O ATOM 444 CB VAL A 32 58.110 4.497 0.759 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.228 4.593 -0.275 1.00 0.00 C ATOM 446 CG2 VAL A 32 57.936 3.035 1.192 1.00 0.00 C ATOM 0 H VAL A 32 56.510 4.957 2.730 1.00 0.00 H new ATOM 0 HA VAL A 32 59.502 5.196 2.294 1.00 0.00 H new ATOM 0 HB VAL A 32 57.181 4.861 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.972 3.989 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.354 5.632 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.158 4.227 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.679 2.427 0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 32 58.867 2.671 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.139 2.967 1.932 1.00 0.00 H new ATOM 456 N TYR A 33 59.427 7.472 1.311 1.00 0.00 N ATOM 457 CA TYR A 33 59.375 8.932 1.012 1.00 0.00 C ATOM 458 C TYR A 33 60.012 9.235 -0.352 1.00 0.00 C ATOM 459 O TYR A 33 59.683 10.214 -0.992 1.00 0.00 O ATOM 460 CB TYR A 33 60.176 9.586 2.139 1.00 0.00 C ATOM 461 CG TYR A 33 59.338 9.620 3.395 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.328 8.517 4.261 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.573 10.751 3.695 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.551 8.550 5.426 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.796 10.783 4.860 1.00 0.00 C ATOM 466 CZ TYR A 33 57.786 9.684 5.725 1.00 0.00 C ATOM 467 OH TYR A 33 57.021 9.718 6.873 1.00 0.00 O ATOM 0 H TYR A 33 60.346 7.042 1.211 1.00 0.00 H new ATOM 0 HA TYR A 33 58.352 9.304 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.096 9.029 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.466 10.597 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.919 7.643 4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.581 11.601 3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.542 7.701 6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.204 11.657 5.090 1.00 0.00 H new ATOM 0 HH TYR A 33 56.554 10.578 6.929 1.00 0.00 H new ATOM 477 N GLY A 34 60.918 8.409 -0.803 1.00 0.00 N ATOM 478 CA GLY A 34 61.561 8.669 -2.124 1.00 0.00 C ATOM 479 C GLY A 34 62.345 7.434 -2.570 1.00 0.00 C ATOM 480 O GLY A 34 63.363 7.537 -3.227 1.00 0.00 O ATOM 0 H GLY A 34 61.239 7.571 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.802 8.917 -2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.228 9.528 -2.051 1.00 0.00 H new ATOM 484 N THR A 35 61.881 6.267 -2.221 1.00 0.00 N ATOM 485 CA THR A 35 62.602 5.025 -2.626 1.00 0.00 C ATOM 486 C THR A 35 62.233 4.640 -4.058 1.00 0.00 C ATOM 487 O THR A 35 61.116 4.834 -4.496 1.00 0.00 O ATOM 488 CB THR A 35 62.126 3.945 -1.653 1.00 0.00 C ATOM 489 OG1 THR A 35 62.746 4.129 -0.385 1.00 0.00 O ATOM 490 CG2 THR A 35 62.485 2.561 -2.203 1.00 0.00 C ATOM 0 H THR A 35 61.034 6.118 -1.673 1.00 0.00 H new ATOM 0 HA THR A 35 63.684 5.156 -2.595 1.00 0.00 H new ATOM 0 HB THR A 35 61.045 4.020 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.839 5.087 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.145 1.794 -1.508 1.00 0.00 H new ATOM 0 HG22 THR A 35 62.001 2.416 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.566 2.487 -2.325 1.00 0.00 H new ATOM 498 N THR A 36 63.158 4.077 -4.782 1.00 0.00 N ATOM 499 CA THR A 36 62.859 3.658 -6.179 1.00 0.00 C ATOM 500 C THR A 36 62.605 2.150 -6.213 1.00 0.00 C ATOM 501 O THR A 36 63.497 1.360 -6.455 1.00 0.00 O ATOM 502 CB THR A 36 64.109 4.020 -6.979 1.00 0.00 C ATOM 503 OG1 THR A 36 64.552 5.313 -6.592 1.00 0.00 O ATOM 504 CG2 THR A 36 63.777 4.017 -8.470 1.00 0.00 C ATOM 0 H THR A 36 64.110 3.888 -4.467 1.00 0.00 H new ATOM 0 HA THR A 36 61.973 4.144 -6.587 1.00 0.00 H new ATOM 0 HB THR A 36 64.895 3.291 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.253 5.616 -7.206 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.668 4.275 -9.042 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.432 3.026 -8.764 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.993 4.748 -8.670 1.00 0.00 H new ATOM 512 N CYS A 37 61.393 1.750 -5.953 1.00 0.00 N ATOM 513 CA CYS A 37 61.059 0.297 -5.946 1.00 0.00 C ATOM 514 C CYS A 37 61.007 -0.260 -7.374 1.00 0.00 C ATOM 515 O CYS A 37 60.036 -0.084 -8.083 1.00 0.00 O ATOM 516 CB CYS A 37 59.678 0.234 -5.290 1.00 0.00 C ATOM 517 SG CYS A 37 59.207 -1.490 -5.016 1.00 0.00 S ATOM 0 H CYS A 37 60.612 2.372 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 37 61.803 -0.298 -5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.691 0.772 -4.342 1.00 0.00 H new ATOM 0 HB3 CYS A 37 58.941 0.725 -5.925 1.00 0.00 H new ATOM 522 N THR A 38 62.042 -0.937 -7.796 1.00 0.00 N ATOM 523 CA THR A 38 62.049 -1.512 -9.175 1.00 0.00 C ATOM 524 C THR A 38 61.442 -2.919 -9.162 1.00 0.00 C ATOM 525 O THR A 38 61.781 -3.758 -9.972 1.00 0.00 O ATOM 526 CB THR A 38 63.525 -1.574 -9.577 1.00 0.00 C ATOM 527 OG1 THR A 38 63.645 -2.229 -10.833 1.00 0.00 O ATOM 528 CG2 THR A 38 64.315 -2.349 -8.522 1.00 0.00 C ATOM 0 H THR A 38 62.882 -1.117 -7.247 1.00 0.00 H new ATOM 0 HA THR A 38 61.462 -0.914 -9.872 1.00 0.00 H new ATOM 0 HB THR A 38 63.921 -0.561 -9.652 1.00 0.00 H new ATOM 0 HG1 THR A 38 63.112 -3.052 -10.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.365 -2.391 -8.812 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.224 -1.848 -7.558 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.920 -3.362 -8.443 1.00 0.00 H new ATOM 536 N GLY A 39 60.553 -3.182 -8.245 1.00 0.00 N ATOM 537 CA GLY A 39 59.930 -4.535 -8.175 1.00 0.00 C ATOM 538 C GLY A 39 60.369 -5.223 -6.880 1.00 0.00 C ATOM 539 O GLY A 39 61.021 -6.247 -6.896 1.00 0.00 O ATOM 0 H GLY A 39 60.230 -2.519 -7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 39 58.844 -4.451 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.228 -5.131 -9.037 1.00 0.00 H new ATOM 543 N SER A 40 60.012 -4.661 -5.758 1.00 0.00 N ATOM 544 CA SER A 40 60.397 -5.264 -4.449 1.00 0.00 C ATOM 545 C SER A 40 59.228 -5.156 -3.467 1.00 0.00 C ATOM 546 O SER A 40 58.145 -4.740 -3.827 1.00 0.00 O ATOM 547 CB SER A 40 61.587 -4.433 -3.963 1.00 0.00 C ATOM 548 OG SER A 40 61.796 -4.675 -2.578 1.00 0.00 O ATOM 0 H SER A 40 59.465 -3.802 -5.691 1.00 0.00 H new ATOM 0 HA SER A 40 60.651 -6.321 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.482 -4.693 -4.528 1.00 0.00 H new ATOM 0 HB3 SER A 40 61.399 -3.373 -4.134 1.00 0.00 H new ATOM 0 HG SER A 40 62.701 -5.024 -2.440 1.00 0.00 H new ATOM 554 N ARG A 41 59.427 -5.525 -2.232 1.00 0.00 N ATOM 555 CA ARG A 41 58.309 -5.434 -1.249 1.00 0.00 C ATOM 556 C ARG A 41 58.849 -5.266 0.172 1.00 0.00 C ATOM 557 O ARG A 41 59.949 -5.676 0.486 1.00 0.00 O ATOM 558 CB ARG A 41 57.549 -6.758 -1.383 1.00 0.00 C ATOM 559 CG ARG A 41 58.279 -7.869 -0.622 1.00 0.00 C ATOM 560 CD ARG A 41 57.929 -9.225 -1.236 1.00 0.00 C ATOM 561 NE ARG A 41 59.008 -10.144 -0.778 1.00 0.00 N ATOM 562 CZ ARG A 41 59.064 -11.363 -1.238 1.00 0.00 C ATOM 563 NH1 ARG A 41 57.972 -12.065 -1.361 1.00 0.00 N ATOM 564 NH2 ARG A 41 60.215 -11.881 -1.576 1.00 0.00 N ATOM 0 H ARG A 41 60.308 -5.883 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 41 57.668 -4.573 -1.442 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.537 -6.645 -0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.458 -7.028 -2.435 1.00 0.00 H new ATOM 0 HG2 ARG A 41 59.356 -7.706 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.995 -7.850 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.950 -9.569 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 41 57.894 -9.169 -2.324 1.00 0.00 H new ATOM 0 HE ARG A 41 59.703 -9.820 -0.105 1.00 0.00 H new ATOM 0 HH11 ARG A 41 57.073 -11.661 -1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 41 58.016 -13.018 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 41 61.069 -11.332 -1.480 1.00 0.00 H new ATOM 0 HH22 ARG A 41 60.259 -12.834 -1.936 1.00 0.00 H new ATOM 578 N PHE A 42 58.069 -4.682 1.037 1.00 0.00 N ATOM 579 CA PHE A 42 58.519 -4.505 2.444 1.00 0.00 C ATOM 580 C PHE A 42 57.558 -5.247 3.371 1.00 0.00 C ATOM 581 O PHE A 42 56.722 -6.009 2.928 1.00 0.00 O ATOM 582 CB PHE A 42 58.459 -2.998 2.714 1.00 0.00 C ATOM 583 CG PHE A 42 59.010 -2.240 1.529 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.235 -2.614 0.965 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.293 -1.163 0.995 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.743 -1.909 -0.134 1.00 0.00 C ATOM 587 CE2 PHE A 42 58.799 -0.459 -0.103 1.00 0.00 C ATOM 588 CZ PHE A 42 60.023 -0.833 -0.667 1.00 0.00 C ATOM 0 H PHE A 42 57.138 -4.319 0.830 1.00 0.00 H new ATOM 0 HA PHE A 42 59.522 -4.897 2.612 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.429 -2.695 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.032 -2.757 3.609 1.00 0.00 H new ATOM 0 HD1 PHE A 42 60.788 -3.445 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.348 -0.875 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 42 61.689 -2.195 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.245 0.372 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.414 -0.291 -1.515 1.00 0.00 H new ATOM 598 N ASP A 43 57.662 -5.027 4.648 1.00 0.00 N ATOM 599 CA ASP A 43 56.745 -5.717 5.598 1.00 0.00 C ATOM 600 C ASP A 43 57.070 -5.289 7.025 1.00 0.00 C ATOM 601 O ASP A 43 57.448 -6.089 7.858 1.00 0.00 O ATOM 602 CB ASP A 43 57.004 -7.210 5.402 1.00 0.00 C ATOM 603 CG ASP A 43 55.701 -7.982 5.609 1.00 0.00 C ATOM 604 OD1 ASP A 43 54.959 -7.622 6.508 1.00 0.00 O ATOM 605 OD2 ASP A 43 55.464 -8.918 4.863 1.00 0.00 O ATOM 0 H ASP A 43 58.342 -4.400 5.078 1.00 0.00 H new ATOM 0 HA ASP A 43 55.698 -5.472 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 43 57.394 -7.394 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 43 57.760 -7.555 6.107 1.00 0.00 H new ATOM 610 N GLY A 44 56.929 -4.026 7.308 1.00 0.00 N ATOM 611 CA GLY A 44 57.230 -3.532 8.676 1.00 0.00 C ATOM 612 C GLY A 44 58.549 -2.757 8.661 1.00 0.00 C ATOM 613 O GLY A 44 59.478 -3.086 9.369 1.00 0.00 O ATOM 0 H GLY A 44 56.617 -3.313 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.423 -2.890 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.296 -4.370 9.370 1.00 0.00 H new ATOM 617 N VAL A 45 58.648 -1.730 7.858 1.00 0.00 N ATOM 618 CA VAL A 45 59.923 -0.953 7.812 1.00 0.00 C ATOM 619 C VAL A 45 59.636 0.550 7.743 1.00 0.00 C ATOM 620 O VAL A 45 58.573 1.010 8.109 1.00 0.00 O ATOM 621 CB VAL A 45 60.667 -1.437 6.544 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.383 -2.919 6.301 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.222 -0.646 5.308 1.00 0.00 C ATOM 0 H VAL A 45 57.910 -1.398 7.238 1.00 0.00 H new ATOM 0 HA VAL A 45 60.525 -1.112 8.707 1.00 0.00 H new ATOM 0 HB VAL A 45 61.733 -1.280 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 45 60.911 -3.249 5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 60.723 -3.500 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.312 -3.067 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.761 -1.007 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.151 -0.780 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.438 0.412 5.456 1.00 0.00 H new ATOM 633 N THR A 46 60.580 1.308 7.258 1.00 0.00 N ATOM 634 CA THR A 46 60.382 2.780 7.144 1.00 0.00 C ATOM 635 C THR A 46 61.489 3.390 6.280 1.00 0.00 C ATOM 636 O THR A 46 62.208 4.268 6.714 1.00 0.00 O ATOM 637 CB THR A 46 60.474 3.313 8.574 1.00 0.00 C ATOM 638 OG1 THR A 46 59.412 2.776 9.351 1.00 0.00 O ATOM 639 CG2 THR A 46 60.372 4.838 8.554 1.00 0.00 C ATOM 0 H THR A 46 61.486 0.969 6.934 1.00 0.00 H new ATOM 0 HA THR A 46 59.429 3.031 6.678 1.00 0.00 H new ATOM 0 HB THR A 46 61.427 3.017 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.698 2.463 8.757 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.437 5.220 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.187 5.249 7.959 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.418 5.133 8.116 1.00 0.00 H new ATOM 647 N ILE A 47 61.641 2.935 5.064 1.00 0.00 N ATOM 648 CA ILE A 47 62.716 3.504 4.198 1.00 0.00 C ATOM 649 C ILE A 47 62.309 4.892 3.695 1.00 0.00 C ATOM 650 O ILE A 47 61.155 5.262 3.729 1.00 0.00 O ATOM 651 CB ILE A 47 62.861 2.527 3.030 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.982 3.011 2.109 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.549 2.459 2.246 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.246 1.966 1.024 1.00 0.00 C ATOM 0 H ILE A 47 61.075 2.202 4.636 1.00 0.00 H new ATOM 0 HA ILE A 47 63.655 3.624 4.738 1.00 0.00 H new ATOM 0 HB ILE A 47 63.100 1.535 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.706 3.961 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.890 3.187 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.657 1.762 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.749 2.118 2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.304 3.448 1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 47 65.045 2.315 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.542 1.026 1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.339 1.812 0.439 1.00 0.00 H new ATOM 666 N THR A 48 63.250 5.666 3.233 1.00 0.00 N ATOM 667 CA THR A 48 62.913 7.030 2.735 1.00 0.00 C ATOM 668 C THR A 48 63.568 7.265 1.366 1.00 0.00 C ATOM 669 O THR A 48 63.514 6.418 0.496 1.00 0.00 O ATOM 670 CB THR A 48 63.472 7.982 3.798 1.00 0.00 C ATOM 671 OG1 THR A 48 64.834 7.663 4.054 1.00 0.00 O ATOM 672 CG2 THR A 48 62.660 7.835 5.086 1.00 0.00 C ATOM 0 H THR A 48 64.237 5.415 3.178 1.00 0.00 H new ATOM 0 HA THR A 48 61.843 7.178 2.592 1.00 0.00 H new ATOM 0 HB THR A 48 63.404 9.009 3.440 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.975 7.580 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.055 8.511 5.844 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.617 8.081 4.888 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.729 6.808 5.444 1.00 0.00 H new ATOM 680 N THR A 49 64.182 8.398 1.163 1.00 0.00 N ATOM 681 CA THR A 49 64.831 8.666 -0.154 1.00 0.00 C ATOM 682 C THR A 49 66.003 7.711 -0.370 1.00 0.00 C ATOM 683 O THR A 49 67.143 8.122 -0.436 1.00 0.00 O ATOM 684 CB THR A 49 65.332 10.106 -0.061 1.00 0.00 C ATOM 685 OG1 THR A 49 64.231 10.975 0.163 1.00 0.00 O ATOM 686 CG2 THR A 49 66.031 10.488 -1.367 1.00 0.00 C ATOM 0 H THR A 49 64.263 9.149 1.849 1.00 0.00 H new ATOM 0 HA THR A 49 64.144 8.523 -0.988 1.00 0.00 H new ATOM 0 HB THR A 49 66.037 10.195 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.551 11.899 0.225 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.389 11.516 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.875 9.820 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.328 10.401 -2.195 1.00 0.00 H new ATOM 694 N SER A 50 65.739 6.439 -0.479 1.00 0.00 N ATOM 695 CA SER A 50 66.853 5.470 -0.683 1.00 0.00 C ATOM 696 C SER A 50 66.571 4.572 -1.890 1.00 0.00 C ATOM 697 O SER A 50 65.459 4.131 -2.104 1.00 0.00 O ATOM 698 CB SER A 50 66.889 4.643 0.600 1.00 0.00 C ATOM 699 OG SER A 50 67.523 3.398 0.340 1.00 0.00 O ATOM 0 H SER A 50 64.806 6.029 -0.436 1.00 0.00 H new ATOM 0 HA SER A 50 67.802 5.970 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.428 5.183 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.876 4.478 0.968 1.00 0.00 H new ATOM 0 HG SER A 50 68.229 3.524 -0.328 1.00 0.00 H new ATOM 705 N THR A 51 67.576 4.291 -2.676 1.00 0.00 N ATOM 706 CA THR A 51 67.373 3.415 -3.866 1.00 0.00 C ATOM 707 C THR A 51 67.607 1.952 -3.476 1.00 0.00 C ATOM 708 O THR A 51 68.421 1.652 -2.627 1.00 0.00 O ATOM 709 CB THR A 51 68.423 3.876 -4.880 1.00 0.00 C ATOM 710 OG1 THR A 51 68.887 5.171 -4.524 1.00 0.00 O ATOM 711 CG2 THR A 51 67.803 3.918 -6.277 1.00 0.00 C ATOM 0 H THR A 51 68.529 4.630 -2.545 1.00 0.00 H new ATOM 0 HA THR A 51 66.363 3.484 -4.270 1.00 0.00 H new ATOM 0 HB THR A 51 69.260 3.178 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.062 5.691 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 51 68.552 4.246 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 51 67.450 2.923 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 51 66.965 4.614 -6.282 1.00 0.00 H new ATOM 719 N SER A 52 66.895 1.039 -4.078 1.00 0.00 N ATOM 720 CA SER A 52 67.081 -0.399 -3.723 1.00 0.00 C ATOM 721 C SER A 52 66.703 -1.299 -4.904 1.00 0.00 C ATOM 722 O SER A 52 65.654 -1.151 -5.498 1.00 0.00 O ATOM 723 CB SER A 52 66.131 -0.632 -2.549 1.00 0.00 C ATOM 724 OG SER A 52 66.761 -1.478 -1.598 1.00 0.00 O ATOM 0 H SER A 52 66.196 1.224 -4.797 1.00 0.00 H new ATOM 0 HA SER A 52 68.116 -0.632 -3.473 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.865 0.319 -2.087 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.205 -1.086 -2.900 1.00 0.00 H new ATOM 0 HG SER A 52 66.419 -2.391 -1.695 1.00 0.00 H new ATOM 730 N THR A 53 67.548 -2.234 -5.249 1.00 0.00 N ATOM 731 CA THR A 53 67.228 -3.141 -6.391 1.00 0.00 C ATOM 732 C THR A 53 67.020 -4.571 -5.884 1.00 0.00 C ATOM 733 O THR A 53 67.941 -5.220 -5.433 1.00 0.00 O ATOM 734 CB THR A 53 68.449 -3.067 -7.310 1.00 0.00 C ATOM 735 OG1 THR A 53 69.213 -1.913 -6.987 1.00 0.00 O ATOM 736 CG2 THR A 53 67.991 -2.984 -8.768 1.00 0.00 C ATOM 0 H THR A 53 68.443 -2.409 -4.792 1.00 0.00 H new ATOM 0 HA THR A 53 66.313 -2.851 -6.908 1.00 0.00 H new ATOM 0 HB THR A 53 69.060 -3.959 -7.174 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.892 -1.767 -7.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.862 -2.931 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.405 -3.869 -9.016 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.379 -2.093 -8.907 1.00 0.00 H new ATOM 744 N GLY A 54 65.813 -5.065 -5.949 1.00 0.00 N ATOM 745 CA GLY A 54 65.549 -6.449 -5.463 1.00 0.00 C ATOM 746 C GLY A 54 66.097 -6.595 -4.044 1.00 0.00 C ATOM 747 O GLY A 54 67.160 -7.144 -3.830 1.00 0.00 O ATOM 0 H GLY A 54 65.000 -4.571 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.478 -6.654 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.020 -7.176 -6.125 1.00 0.00 H new ATOM 751 N SER A 55 65.382 -6.105 -3.070 1.00 0.00 N ATOM 752 CA SER A 55 65.866 -6.214 -1.665 1.00 0.00 C ATOM 753 C SER A 55 64.677 -6.334 -0.706 1.00 0.00 C ATOM 754 O SER A 55 63.705 -5.615 -0.814 1.00 0.00 O ATOM 755 CB SER A 55 66.629 -4.917 -1.409 1.00 0.00 C ATOM 756 OG SER A 55 65.840 -3.815 -1.839 1.00 0.00 O ATOM 0 H SER A 55 64.485 -5.634 -3.186 1.00 0.00 H new ATOM 0 HA SER A 55 66.491 -7.093 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.861 -4.821 -0.348 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.579 -4.929 -1.943 1.00 0.00 H new ATOM 0 HG SER A 55 64.919 -3.930 -1.524 1.00 0.00 H new ATOM 762 N ARG A 56 64.749 -7.239 0.231 1.00 0.00 N ATOM 763 CA ARG A 56 63.624 -7.403 1.195 1.00 0.00 C ATOM 764 C ARG A 56 63.832 -6.505 2.418 1.00 0.00 C ATOM 765 O ARG A 56 64.689 -6.754 3.244 1.00 0.00 O ATOM 766 CB ARG A 56 63.665 -8.876 1.607 1.00 0.00 C ATOM 767 CG ARG A 56 62.276 -9.490 1.440 1.00 0.00 C ATOM 768 CD ARG A 56 62.399 -11.011 1.310 1.00 0.00 C ATOM 769 NE ARG A 56 61.069 -11.544 1.720 1.00 0.00 N ATOM 770 CZ ARG A 56 60.646 -12.683 1.240 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.503 -13.566 0.805 1.00 0.00 N ATOM 772 NH2 ARG A 56 59.367 -12.940 1.202 1.00 0.00 N ATOM 0 H ARG A 56 65.537 -7.871 0.371 1.00 0.00 H new ATOM 0 HA ARG A 56 62.666 -7.125 0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 64.389 -9.416 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 56 63.992 -8.966 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.650 -9.237 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.789 -9.078 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.642 -11.301 0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 56 63.193 -11.398 1.948 1.00 0.00 H new ATOM 0 HE ARG A 56 60.489 -11.020 2.375 1.00 0.00 H new ATOM 0 HH11 ARG A 56 62.503 -13.367 0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.173 -14.455 0.430 1.00 0.00 H new ATOM 0 HH21 ARG A 56 58.698 -12.252 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 56 59.036 -13.829 0.827 1.00 0.00 H new ATOM 786 N ILE A 57 63.053 -5.466 2.545 1.00 0.00 N ATOM 787 CA ILE A 57 63.206 -4.560 3.721 1.00 0.00 C ATOM 788 C ILE A 57 62.352 -5.068 4.889 1.00 0.00 C ATOM 789 O ILE A 57 62.352 -4.501 5.963 1.00 0.00 O ATOM 790 CB ILE A 57 62.706 -3.196 3.235 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.406 -2.833 1.922 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.017 -2.127 4.286 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.910 -3.085 2.052 1.00 0.00 C ATOM 0 H ILE A 57 62.318 -5.205 1.887 1.00 0.00 H new ATOM 0 HA ILE A 57 64.234 -4.510 4.079 1.00 0.00 H new ATOM 0 HB ILE A 57 61.629 -3.245 3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.997 -3.427 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.223 -1.787 1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 57 62.660 -1.158 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 57 62.519 -2.381 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.094 -2.079 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.405 -2.826 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.313 -2.472 2.858 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.085 -4.138 2.275 1.00 0.00 H new ATOM 805 N SER A 58 61.633 -6.140 4.686 1.00 0.00 N ATOM 806 CA SER A 58 60.776 -6.695 5.781 1.00 0.00 C ATOM 807 C SER A 58 61.520 -6.675 7.119 1.00 0.00 C ATOM 808 O SER A 58 62.728 -6.789 7.168 1.00 0.00 O ATOM 809 CB SER A 58 60.502 -8.137 5.361 1.00 0.00 C ATOM 810 OG SER A 58 59.278 -8.194 4.645 1.00 0.00 O ATOM 0 H SER A 58 61.600 -6.658 3.808 1.00 0.00 H new ATOM 0 HA SER A 58 59.864 -6.113 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.317 -8.508 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.453 -8.780 6.240 1.00 0.00 H new ATOM 0 HG SER A 58 59.101 -9.119 4.373 1.00 0.00 H new ATOM 816 N GLY A 59 60.807 -6.543 8.207 1.00 0.00 N ATOM 817 CA GLY A 59 61.482 -6.532 9.535 1.00 0.00 C ATOM 818 C GLY A 59 60.532 -5.984 10.599 1.00 0.00 C ATOM 819 O GLY A 59 59.644 -5.210 10.302 1.00 0.00 O ATOM 0 H GLY A 59 59.792 -6.443 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 59 61.796 -7.541 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.383 -5.920 9.489 1.00 0.00 H new ATOM 823 N PRO A 60 60.761 -6.402 11.813 1.00 0.00 N ATOM 824 CA PRO A 60 59.926 -5.938 12.948 1.00 0.00 C ATOM 825 C PRO A 60 60.264 -4.483 13.283 1.00 0.00 C ATOM 826 O PRO A 60 59.674 -3.881 14.157 1.00 0.00 O ATOM 827 CB PRO A 60 60.323 -6.873 14.088 1.00 0.00 C ATOM 828 CG PRO A 60 61.701 -7.345 13.743 1.00 0.00 C ATOM 829 CD PRO A 60 61.809 -7.336 12.239 1.00 0.00 C ATOM 0 HA PRO A 60 58.856 -5.964 12.743 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.313 -6.353 15.046 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.629 -7.709 14.172 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.454 -6.694 14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 60 61.875 -8.347 14.136 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.795 -7.006 11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 60 61.651 -8.330 11.822 1.00 0.00 H new ATOM 837 N GLY A 61 61.213 -3.916 12.588 1.00 0.00 N ATOM 838 CA GLY A 61 61.600 -2.502 12.851 1.00 0.00 C ATOM 839 C GLY A 61 62.688 -2.092 11.859 1.00 0.00 C ATOM 840 O GLY A 61 63.576 -1.326 12.177 1.00 0.00 O ATOM 0 H GLY A 61 61.739 -4.375 11.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.733 -1.849 12.750 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.963 -2.395 13.873 1.00 0.00 H new ATOM 844 N CYS A 62 62.631 -2.604 10.659 1.00 0.00 N ATOM 845 CA CYS A 62 63.668 -2.252 9.647 1.00 0.00 C ATOM 846 C CYS A 62 63.576 -0.771 9.281 1.00 0.00 C ATOM 847 O CYS A 62 62.518 -0.266 8.961 1.00 0.00 O ATOM 848 CB CYS A 62 63.345 -3.114 8.425 1.00 0.00 C ATOM 849 SG CYS A 62 64.881 -3.546 7.569 1.00 0.00 S ATOM 0 H CYS A 62 61.911 -3.251 10.336 1.00 0.00 H new ATOM 0 HA CYS A 62 64.676 -2.429 10.022 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.821 -4.019 8.733 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.680 -2.574 7.751 1.00 0.00 H new ATOM 854 N LYS A 63 64.677 -0.073 9.310 1.00 0.00 N ATOM 855 CA LYS A 63 64.647 1.371 8.946 1.00 0.00 C ATOM 856 C LYS A 63 65.816 1.712 8.021 1.00 0.00 C ATOM 857 O LYS A 63 66.964 1.468 8.337 1.00 0.00 O ATOM 858 CB LYS A 63 64.775 2.124 10.268 1.00 0.00 C ATOM 859 CG LYS A 63 64.768 3.627 9.988 1.00 0.00 C ATOM 860 CD LYS A 63 65.313 4.382 11.201 1.00 0.00 C ATOM 861 CE LYS A 63 66.030 5.650 10.729 1.00 0.00 C ATOM 862 NZ LYS A 63 67.426 5.218 10.433 1.00 0.00 N ATOM 0 H LYS A 63 65.593 -0.438 9.569 1.00 0.00 H new ATOM 0 HA LYS A 63 63.733 1.637 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 63 63.952 1.861 10.932 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.697 1.840 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.375 3.845 9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.754 3.960 9.766 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.499 4.642 11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.002 3.748 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 63 65.550 6.068 9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 63 66.011 6.423 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 67.883 5.920 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 67.960 5.137 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 67.410 4.295 9.954 1.00 0.00 H new ATOM 876 N ILE A 64 65.533 2.279 6.879 1.00 0.00 N ATOM 877 CA ILE A 64 66.626 2.644 5.934 1.00 0.00 C ATOM 878 C ILE A 64 66.511 4.120 5.546 1.00 0.00 C ATOM 879 O ILE A 64 65.427 4.661 5.447 1.00 0.00 O ATOM 880 CB ILE A 64 66.417 1.750 4.714 1.00 0.00 C ATOM 881 CG1 ILE A 64 66.894 0.333 5.035 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.218 2.300 3.534 1.00 0.00 C ATOM 883 CD1 ILE A 64 65.872 -0.668 4.509 1.00 0.00 C ATOM 0 H ILE A 64 64.591 2.505 6.560 1.00 0.00 H new ATOM 0 HA ILE A 64 67.614 2.504 6.371 1.00 0.00 H new ATOM 0 HB ILE A 64 65.358 1.730 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 64 67.867 0.151 4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 64 67.019 0.213 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.068 1.661 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.881 3.311 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.277 2.321 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.206 -1.681 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 64 64.908 -0.489 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 64 65.770 -0.551 3.430 1.00 0.00 H new ATOM 895 N SER A 65 67.616 4.775 5.323 1.00 0.00 N ATOM 896 CA SER A 65 67.557 6.217 4.939 1.00 0.00 C ATOM 897 C SER A 65 68.628 6.538 3.893 1.00 0.00 C ATOM 898 O SER A 65 69.798 6.275 4.087 1.00 0.00 O ATOM 899 CB SER A 65 67.823 6.986 6.230 1.00 0.00 C ATOM 900 OG SER A 65 69.214 6.953 6.517 1.00 0.00 O ATOM 0 H SER A 65 68.554 4.379 5.389 1.00 0.00 H new ATOM 0 HA SER A 65 66.596 6.482 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 65 67.485 8.017 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.260 6.545 7.052 1.00 0.00 H new ATOM 0 HG SER A 65 69.668 6.374 5.870 1.00 0.00 H new ATOM 906 N THR A 66 68.230 7.108 2.789 1.00 0.00 N ATOM 907 CA THR A 66 69.212 7.452 1.720 1.00 0.00 C ATOM 908 C THR A 66 70.255 6.346 1.570 1.00 0.00 C ATOM 909 O THR A 66 71.321 6.406 2.141 1.00 0.00 O ATOM 910 CB THR A 66 69.876 8.751 2.177 1.00 0.00 C ATOM 911 OG1 THR A 66 68.876 9.701 2.516 1.00 0.00 O ATOM 912 CG2 THR A 66 70.737 9.300 1.040 1.00 0.00 C ATOM 0 H THR A 66 67.262 7.352 2.580 1.00 0.00 H new ATOM 0 HA THR A 66 68.727 7.563 0.750 1.00 0.00 H new ATOM 0 HB THR A 66 70.500 8.557 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.302 10.533 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.214 10.227 1.359 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.503 8.570 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 66 70.110 9.496 0.170 1.00 0.00 H new ATOM 920 N CYS A 67 69.958 5.342 0.795 1.00 0.00 N ATOM 921 CA CYS A 67 70.940 4.235 0.599 1.00 0.00 C ATOM 922 C CYS A 67 70.720 3.575 -0.759 1.00 0.00 C ATOM 923 O CYS A 67 69.758 2.860 -0.961 1.00 0.00 O ATOM 924 CB CYS A 67 70.661 3.231 1.721 1.00 0.00 C ATOM 925 SG CYS A 67 72.176 2.318 2.094 1.00 0.00 S ATOM 0 H CYS A 67 69.079 5.238 0.288 1.00 0.00 H new ATOM 0 HA CYS A 67 71.968 4.597 0.626 1.00 0.00 H new ATOM 0 HB2 CYS A 67 70.308 3.751 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.872 2.542 1.420 1.00 0.00 H new ATOM 930 N ILE A 68 71.604 3.790 -1.691 1.00 0.00 N ATOM 931 CA ILE A 68 71.422 3.144 -3.019 1.00 0.00 C ATOM 932 C ILE A 68 71.713 1.655 -2.876 1.00 0.00 C ATOM 933 O ILE A 68 72.828 1.206 -3.053 1.00 0.00 O ATOM 934 CB ILE A 68 72.427 3.802 -3.962 1.00 0.00 C ATOM 935 CG1 ILE A 68 71.978 5.230 -4.291 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.486 2.987 -5.253 1.00 0.00 C ATOM 937 CD1 ILE A 68 71.959 6.073 -3.015 1.00 0.00 C ATOM 0 H ILE A 68 72.433 4.376 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 68 70.409 3.261 -3.404 1.00 0.00 H new ATOM 0 HB ILE A 68 73.407 3.837 -3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 68 72.654 5.674 -5.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 70.986 5.214 -4.743 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.200 3.443 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.801 1.968 -5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.500 2.967 -5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.639 7.087 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.265 5.633 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 68 72.959 6.100 -2.582 1.00 0.00 H new ATOM 949 N ILE A 69 70.721 0.893 -2.529 1.00 0.00 N ATOM 950 CA ILE A 69 70.933 -0.565 -2.335 1.00 0.00 C ATOM 951 C ILE A 69 70.697 -1.323 -3.644 1.00 0.00 C ATOM 952 O ILE A 69 69.997 -0.863 -4.523 1.00 0.00 O ATOM 953 CB ILE A 69 69.909 -0.973 -1.272 1.00 0.00 C ATOM 954 CG1 ILE A 69 69.965 0.010 -0.092 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.229 -2.382 -0.774 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.544 0.307 0.388 1.00 0.00 C ATOM 0 H ILE A 69 69.767 1.217 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 69 71.953 -0.797 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 69 68.910 -0.956 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.554 -0.414 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.459 0.933 -0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.501 -2.674 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.185 -3.082 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.229 -2.396 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 69 68.581 1.004 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 69 67.970 0.748 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.067 -0.619 0.708 1.00 0.00 H new ATOM 968 N THR A 70 71.289 -2.481 -3.782 1.00 0.00 N ATOM 969 CA THR A 70 71.114 -3.269 -5.038 1.00 0.00 C ATOM 970 C THR A 70 71.369 -4.758 -4.779 1.00 0.00 C ATOM 971 O THR A 70 72.499 -5.194 -4.677 1.00 0.00 O ATOM 972 CB THR A 70 72.169 -2.711 -5.991 1.00 0.00 C ATOM 973 OG1 THR A 70 71.797 -1.401 -6.390 1.00 0.00 O ATOM 974 CG2 THR A 70 72.280 -3.610 -7.220 1.00 0.00 C ATOM 0 H THR A 70 71.886 -2.915 -3.078 1.00 0.00 H new ATOM 0 HA THR A 70 70.104 -3.188 -5.439 1.00 0.00 H new ATOM 0 HB THR A 70 73.134 -2.677 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.897 -1.201 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 73.034 -3.209 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.568 -4.615 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.318 -3.649 -7.730 1.00 0.00 H new ATOM 982 N GLY A 71 70.329 -5.543 -4.677 1.00 0.00 N ATOM 983 CA GLY A 71 70.519 -7.003 -4.427 1.00 0.00 C ATOM 984 C GLY A 71 70.553 -7.259 -2.923 1.00 0.00 C ATOM 985 O GLY A 71 71.151 -8.208 -2.455 1.00 0.00 O ATOM 0 H GLY A 71 69.359 -5.238 -4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.709 -7.570 -4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 71 71.447 -7.344 -4.886 1.00 0.00 H new ATOM 989 N GLY A 72 69.918 -6.416 -2.160 1.00 0.00 N ATOM 990 CA GLY A 72 69.916 -6.604 -0.686 1.00 0.00 C ATOM 991 C GLY A 72 71.202 -6.018 -0.104 1.00 0.00 C ATOM 992 O GLY A 72 71.578 -6.300 1.016 1.00 0.00 O ATOM 0 H GLY A 72 69.400 -5.604 -2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 72 69.047 -6.114 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.842 -7.664 -0.442 1.00 0.00 H new ATOM 996 N VAL A 73 71.877 -5.207 -0.864 1.00 0.00 N ATOM 997 CA VAL A 73 73.148 -4.594 -0.372 1.00 0.00 C ATOM 998 C VAL A 73 73.097 -3.071 -0.534 1.00 0.00 C ATOM 999 O VAL A 73 72.722 -2.581 -1.577 1.00 0.00 O ATOM 1000 CB VAL A 73 74.224 -5.175 -1.285 1.00 0.00 C ATOM 1001 CG1 VAL A 73 74.041 -6.690 -1.405 1.00 0.00 C ATOM 1002 CG2 VAL A 73 74.083 -4.538 -2.667 1.00 0.00 C ATOM 0 H VAL A 73 71.606 -4.938 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 73 73.330 -4.801 0.682 1.00 0.00 H new ATOM 0 HB VAL A 73 75.211 -4.968 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.812 -7.099 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.122 -7.146 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 73 73.058 -6.906 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.845 -4.942 -3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 73 73.095 -4.758 -3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.209 -3.458 -2.585 1.00 0.00 H new ATOM 1012 N PRO A 74 73.488 -2.372 0.498 1.00 0.00 N ATOM 1013 CA PRO A 74 73.492 -0.892 0.452 1.00 0.00 C ATOM 1014 C PRO A 74 74.745 -0.377 -0.261 1.00 0.00 C ATOM 1015 O PRO A 74 75.801 -0.975 -0.189 1.00 0.00 O ATOM 1016 CB PRO A 74 73.523 -0.490 1.922 1.00 0.00 C ATOM 1017 CG PRO A 74 74.143 -1.651 2.640 1.00 0.00 C ATOM 1018 CD PRO A 74 73.955 -2.886 1.786 1.00 0.00 C ATOM 0 HA PRO A 74 72.638 -0.484 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.106 0.419 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.519 -0.288 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.203 -1.468 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.677 -1.788 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.888 -3.440 1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.229 -3.568 2.228 1.00 0.00 H new ATOM 1026 N ALA A 75 74.642 0.734 -0.936 1.00 0.00 N ATOM 1027 CA ALA A 75 75.833 1.293 -1.638 1.00 0.00 C ATOM 1028 C ALA A 75 76.535 2.308 -0.729 1.00 0.00 C ATOM 1029 O ALA A 75 75.902 2.958 0.077 1.00 0.00 O ATOM 1030 CB ALA A 75 75.275 1.977 -2.884 1.00 0.00 C ATOM 0 H ALA A 75 73.785 1.279 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 75 76.567 0.529 -1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.093 2.415 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.754 1.243 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.579 2.762 -2.587 1.00 0.00 H new ATOM 1036 N PRO A 76 77.825 2.403 -0.888 1.00 0.00 N ATOM 1037 CA PRO A 76 78.625 3.343 -0.063 1.00 0.00 C ATOM 1038 C PRO A 76 78.365 4.793 -0.482 1.00 0.00 C ATOM 1039 O PRO A 76 78.686 5.201 -1.580 1.00 0.00 O ATOM 1040 CB PRO A 76 80.067 2.940 -0.359 1.00 0.00 C ATOM 1041 CG PRO A 76 80.018 2.285 -1.704 1.00 0.00 C ATOM 1042 CD PRO A 76 78.655 1.658 -1.841 1.00 0.00 C ATOM 0 HA PRO A 76 78.380 3.292 0.998 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.726 3.808 -0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.449 2.257 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 76 80.187 3.016 -2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.800 1.531 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.274 1.749 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.679 0.594 -1.603 1.00 0.00 H new ATOM 1050 N SER A 77 77.786 5.574 0.390 1.00 0.00 N ATOM 1051 CA SER A 77 77.506 6.997 0.044 1.00 0.00 C ATOM 1052 C SER A 77 77.925 7.920 1.194 1.00 0.00 C ATOM 1053 O SER A 77 77.792 9.123 1.113 1.00 0.00 O ATOM 1054 CB SER A 77 75.995 7.065 -0.172 1.00 0.00 C ATOM 1055 OG SER A 77 75.700 8.104 -1.096 1.00 0.00 O ATOM 0 H SER A 77 77.495 5.289 1.325 1.00 0.00 H new ATOM 0 HA SER A 77 78.060 7.320 -0.838 1.00 0.00 H new ATOM 0 HB2 SER A 77 75.627 6.111 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 77 75.488 7.250 0.775 1.00 0.00 H new ATOM 0 HG SER A 77 74.731 8.150 -1.238 1.00 0.00 H new ATOM 1061 N ALA A 78 78.430 7.366 2.265 1.00 0.00 N ATOM 1062 CA ALA A 78 78.857 8.217 3.413 1.00 0.00 C ATOM 1063 C ALA A 78 77.643 8.901 4.052 1.00 0.00 C ATOM 1064 O ALA A 78 77.780 9.736 4.926 1.00 0.00 O ATOM 1065 CB ALA A 78 79.800 9.253 2.802 1.00 0.00 C ATOM 0 H ALA A 78 78.565 6.363 2.394 1.00 0.00 H new ATOM 0 HA ALA A 78 79.340 7.638 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 78 80.161 9.922 3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 78 80.646 8.746 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 78 79.266 9.831 2.048 1.00 0.00 H new ATOM 1071 N ALA A 79 76.459 8.556 3.625 1.00 0.00 N ATOM 1072 CA ALA A 79 75.240 9.187 4.211 1.00 0.00 C ATOM 1073 C ALA A 79 74.205 8.116 4.572 1.00 0.00 C ATOM 1074 O ALA A 79 73.457 8.258 5.520 1.00 0.00 O ATOM 1075 CB ALA A 79 74.700 10.103 3.113 1.00 0.00 C ATOM 0 H ALA A 79 76.282 7.865 2.896 1.00 0.00 H new ATOM 0 HA ALA A 79 75.462 9.734 5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.800 10.605 3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.454 10.847 2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.460 9.510 2.230 1.00 0.00 H new ATOM 1081 N CYS A 80 74.156 7.045 3.824 1.00 0.00 N ATOM 1082 CA CYS A 80 73.171 5.969 4.129 1.00 0.00 C ATOM 1083 C CYS A 80 73.372 5.466 5.562 1.00 0.00 C ATOM 1084 O CYS A 80 74.458 5.516 6.105 1.00 0.00 O ATOM 1085 CB CYS A 80 73.458 4.868 3.093 1.00 0.00 C ATOM 1086 SG CYS A 80 72.921 3.253 3.721 1.00 0.00 S ATOM 0 H CYS A 80 74.755 6.870 3.017 1.00 0.00 H new ATOM 0 HA CYS A 80 72.137 6.309 4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.940 5.093 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.524 4.841 2.867 1.00 0.00 H new ATOM 1091 N LYS A 81 72.326 4.982 6.173 1.00 0.00 N ATOM 1092 CA LYS A 81 72.445 4.476 7.568 1.00 0.00 C ATOM 1093 C LYS A 81 72.449 2.943 7.570 1.00 0.00 C ATOM 1094 O LYS A 81 72.265 2.307 6.553 1.00 0.00 O ATOM 1095 CB LYS A 81 71.213 5.046 8.302 1.00 0.00 C ATOM 1096 CG LYS A 81 70.168 3.952 8.577 1.00 0.00 C ATOM 1097 CD LYS A 81 69.569 3.468 7.256 1.00 0.00 C ATOM 1098 CE LYS A 81 69.741 1.947 7.124 1.00 0.00 C ATOM 1099 NZ LYS A 81 70.074 1.725 5.689 1.00 0.00 N ATOM 0 H LYS A 81 71.393 4.915 5.765 1.00 0.00 H new ATOM 0 HA LYS A 81 73.371 4.783 8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 81 71.525 5.498 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.764 5.838 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 81 70.631 3.118 9.105 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.381 4.341 9.223 1.00 0.00 H new ATOM 0 HD2 LYS A 81 68.511 3.727 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 81 70.057 3.971 6.421 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.534 1.581 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 81 68.829 1.420 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 69.636 0.840 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 69.713 2.519 5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 71.106 1.662 5.578 1.00 0.00 H new ATOM 1113 N ILE A 82 72.645 2.359 8.715 1.00 0.00 N ATOM 1114 CA ILE A 82 72.652 0.871 8.825 1.00 0.00 C ATOM 1115 C ILE A 82 72.303 0.468 10.262 1.00 0.00 C ATOM 1116 O ILE A 82 72.869 -0.454 10.815 1.00 0.00 O ATOM 1117 CB ILE A 82 74.084 0.433 8.494 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.456 0.821 7.055 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.190 -1.084 8.648 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.517 0.131 6.060 1.00 0.00 C ATOM 0 H ILE A 82 72.803 2.853 9.593 1.00 0.00 H new ATOM 0 HA ILE A 82 71.927 0.407 8.156 1.00 0.00 H new ATOM 0 HB ILE A 82 74.770 0.934 9.178 1.00 0.00 H new ATOM 0 HG12 ILE A 82 74.394 1.903 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 82 75.488 0.536 6.849 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.206 -1.403 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 82 73.949 -1.363 9.674 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.491 -1.569 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.792 0.415 5.044 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.601 -0.950 6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 82 72.490 0.437 6.257 1.00 0.00 H new ATOM 1132 N SER A 83 71.381 1.164 10.875 1.00 0.00 N ATOM 1133 CA SER A 83 71.003 0.836 12.279 1.00 0.00 C ATOM 1134 C SER A 83 70.482 -0.604 12.379 1.00 0.00 C ATOM 1135 O SER A 83 71.245 -1.548 12.348 1.00 0.00 O ATOM 1136 CB SER A 83 69.909 1.844 12.632 1.00 0.00 C ATOM 1137 OG SER A 83 70.474 3.146 12.698 1.00 0.00 O ATOM 0 H SER A 83 70.874 1.946 10.462 1.00 0.00 H new ATOM 0 HA SER A 83 71.850 0.898 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 83 69.117 1.816 11.883 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.453 1.584 13.587 1.00 0.00 H new ATOM 0 HG SER A 83 69.775 3.795 12.922 1.00 0.00 H new ATOM 1143 N GLY A 84 69.193 -0.785 12.506 1.00 0.00 N ATOM 1144 CA GLY A 84 68.643 -2.164 12.618 1.00 0.00 C ATOM 1145 C GLY A 84 67.712 -2.450 11.440 1.00 0.00 C ATOM 1146 O GLY A 84 66.523 -2.216 11.508 1.00 0.00 O ATOM 0 H GLY A 84 68.500 -0.037 12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.457 -2.889 12.634 1.00 0.00 H new ATOM 0 HA3 GLY A 84 68.100 -2.273 13.557 1.00 0.00 H new ATOM 1150 N CYS A 85 68.238 -2.961 10.360 1.00 0.00 N ATOM 1151 CA CYS A 85 67.365 -3.264 9.192 1.00 0.00 C ATOM 1152 C CYS A 85 67.888 -4.492 8.442 1.00 0.00 C ATOM 1153 O CYS A 85 68.471 -5.386 9.021 1.00 0.00 O ATOM 1154 CB CYS A 85 67.433 -2.017 8.302 1.00 0.00 C ATOM 1155 SG CYS A 85 65.869 -1.787 7.407 1.00 0.00 S ATOM 0 H CYS A 85 69.227 -3.180 10.237 1.00 0.00 H new ATOM 0 HA CYS A 85 66.342 -3.490 9.493 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.642 -1.138 8.912 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.254 -2.114 7.592 1.00 0.00 H new ATOM 1160 N THR A 86 67.675 -4.541 7.157 1.00 0.00 N ATOM 1161 CA THR A 86 68.145 -5.709 6.358 1.00 0.00 C ATOM 1162 C THR A 86 67.557 -5.635 4.951 1.00 0.00 C ATOM 1163 O THR A 86 66.427 -5.231 4.765 1.00 0.00 O ATOM 1164 CB THR A 86 67.623 -6.954 7.085 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.489 -8.016 6.150 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.259 -6.667 7.727 1.00 0.00 C ATOM 0 H THR A 86 67.193 -3.819 6.622 1.00 0.00 H new ATOM 0 HA THR A 86 69.231 -5.730 6.266 1.00 0.00 H new ATOM 0 HB THR A 86 68.329 -7.230 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.157 -8.816 6.609 1.00 0.00 H new ATOM 0 HG21 THR A 86 65.903 -7.561 8.239 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.359 -5.853 8.445 1.00 0.00 H new ATOM 0 HG23 THR A 86 65.545 -6.383 6.954 1.00 0.00 H new ATOM 1174 N PHE A 87 68.308 -6.020 3.960 1.00 0.00 N ATOM 1175 CA PHE A 87 67.774 -5.965 2.568 1.00 0.00 C ATOM 1176 C PHE A 87 67.699 -7.371 1.966 1.00 0.00 C ATOM 1177 O PHE A 87 66.994 -7.602 1.010 1.00 0.00 O ATOM 1178 CB PHE A 87 68.764 -5.111 1.776 1.00 0.00 C ATOM 1179 CG PHE A 87 69.183 -3.901 2.573 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.303 -3.319 3.496 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.460 -3.362 2.386 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.704 -2.197 4.235 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.858 -2.242 3.124 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.982 -1.661 4.048 1.00 0.00 C ATOM 0 H PHE A 87 69.262 -6.369 4.049 1.00 0.00 H new ATOM 0 HA PHE A 87 66.767 -5.548 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.641 -5.706 1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.309 -4.794 0.837 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.316 -3.735 3.638 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.137 -3.809 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.027 -1.748 4.947 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.844 -1.825 2.980 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.293 -0.798 4.617 1.00 0.00 H new ATOM 1194 N SER A 88 68.424 -8.311 2.510 1.00 0.00 N ATOM 1195 CA SER A 88 68.387 -9.695 1.952 1.00 0.00 C ATOM 1196 C SER A 88 68.495 -9.648 0.424 1.00 0.00 C ATOM 1197 O SER A 88 69.582 -9.638 -0.119 1.00 0.00 O ATOM 1198 CB SER A 88 67.033 -10.258 2.383 1.00 0.00 C ATOM 1199 OG SER A 88 67.204 -11.045 3.554 1.00 0.00 O ATOM 0 H SER A 88 69.038 -8.182 3.314 1.00 0.00 H new ATOM 0 HA SER A 88 69.213 -10.311 2.308 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.333 -9.445 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 88 66.606 -10.863 1.583 1.00 0.00 H new ATOM 0 HG SER A 88 66.337 -11.407 3.835 1.00 0.00 H new ATOM 1205 N ALA A 89 67.373 -9.607 -0.264 1.00 0.00 N ATOM 1206 CA ALA A 89 67.378 -9.546 -1.766 1.00 0.00 C ATOM 1207 C ALA A 89 66.044 -10.063 -2.317 1.00 0.00 C ATOM 1208 O ALA A 89 65.993 -11.078 -2.985 1.00 0.00 O ATOM 1209 CB ALA A 89 68.522 -10.450 -2.232 1.00 0.00 C ATOM 0 H ALA A 89 66.444 -9.613 0.157 1.00 0.00 H new ATOM 0 HA ALA A 89 67.511 -8.524 -2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 89 68.571 -10.443 -3.321 1.00 0.00 H new ATOM 0 HB2 ALA A 89 69.464 -10.084 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 89 68.346 -11.468 -1.884 1.00 0.00 H new ATOM 1215 N ASN A 90 64.962 -9.382 -2.043 1.00 0.00 N ATOM 1216 CA ASN A 90 63.642 -9.853 -2.557 1.00 0.00 C ATOM 1217 C ASN A 90 63.601 -9.731 -4.088 1.00 0.00 C ATOM 1218 O ASN A 90 64.425 -9.014 -4.629 1.00 0.00 O ATOM 1219 CB ASN A 90 62.594 -8.949 -1.868 1.00 0.00 C ATOM 1220 CG ASN A 90 61.780 -8.152 -2.898 1.00 0.00 C ATOM 1221 OD1 ASN A 90 62.335 -7.513 -3.770 1.00 0.00 O ATOM 1222 ND2 ASN A 90 60.481 -8.169 -2.827 1.00 0.00 N ATOM 1223 OXT ASN A 90 62.744 -10.359 -4.689 1.00 0.00 O ATOM 0 H ASN A 90 64.935 -8.526 -1.489 1.00 0.00 H new ATOM 0 HA ASN A 90 63.449 -10.903 -2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.923 -9.561 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 90 63.095 -8.261 -1.187 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.926 -7.645 -3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.017 -8.706 -2.094 1.00 0.00 H new