USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 523 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 71 THR OG1 : rot -122:sc= -1.41! USER MOD Set 1.2: A 89 SER OG : rot 171:sc= -0.651 USER MOD Set 2.1: A 36 TYR OH : rot -97:sc= -1.03 USER MOD Set 2.2: A 46 GLN :FLIP amide:sc= -0.313 F(o=-2.3,f=-1.3) USER MOD Set 3.1: A 14 THR OG1 : rot 78:sc= 0.649 USER MOD Set 3.2: A 17 SER OG : rot 112:sc= -0.795! USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.12! USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot -174:sc= -0.685 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 39 THR OG1 : rot 104:sc= 0.997 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.175 (180deg=-1.31!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 60 SER OG : rot 160:sc= -0.793 USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= -0.147 (180deg=-0.945) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0497 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.2) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.568 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.576 2.566 -7.098 1.00 0.00 N ATOM 109 CA LEU A 8 8.716 1.447 -6.617 1.00 0.00 C ATOM 110 C LEU A 8 9.624 0.393 -5.980 1.00 0.00 C ATOM 111 O LEU A 8 10.760 0.247 -6.389 1.00 0.00 O ATOM 112 CB LEU A 8 7.995 0.807 -7.832 1.00 0.00 C ATOM 113 CG LEU A 8 6.664 1.537 -8.153 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.565 1.062 -7.194 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.831 3.062 -8.029 1.00 0.00 C ATOM 0 HA LEU A 8 7.982 1.812 -5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.649 0.841 -8.703 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.794 -0.244 -7.625 1.00 0.00 H new ATOM 0 HG LEU A 8 6.383 1.300 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.633 1.578 -7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.422 -0.013 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.858 1.283 -6.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.885 3.552 -8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.132 3.314 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.595 3.402 -8.728 1.00 0.00 H new ATOM 127 N GLU A 9 9.142 -0.329 -4.995 1.00 0.00 N ATOM 128 CA GLU A 9 10.053 -1.356 -4.387 1.00 0.00 C ATOM 129 C GLU A 9 9.329 -2.387 -3.522 1.00 0.00 C ATOM 130 O GLU A 9 8.206 -2.188 -3.088 1.00 0.00 O ATOM 131 CB GLU A 9 11.067 -0.620 -3.492 1.00 0.00 C ATOM 132 CG GLU A 9 12.485 -0.876 -4.010 1.00 0.00 C ATOM 133 CD GLU A 9 13.486 -0.091 -3.156 1.00 0.00 C ATOM 134 OE1 GLU A 9 13.013 0.739 -2.397 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.664 -0.367 -3.310 1.00 0.00 O ATOM 0 H GLU A 9 8.204 -0.261 -4.600 1.00 0.00 H new ATOM 0 HA GLU A 9 10.521 -1.896 -5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.857 0.450 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.977 -0.965 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.712 -1.941 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.563 -0.572 -5.054 1.00 0.00 H new ATOM 142 N VAL A 10 10.022 -3.490 -3.298 1.00 0.00 N ATOM 143 CA VAL A 10 9.462 -4.594 -2.469 1.00 0.00 C ATOM 144 C VAL A 10 10.120 -4.548 -1.093 1.00 0.00 C ATOM 145 O VAL A 10 11.322 -4.392 -1.001 1.00 0.00 O ATOM 146 CB VAL A 10 9.814 -5.932 -3.143 1.00 0.00 C ATOM 147 CG1 VAL A 10 9.284 -7.086 -2.288 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.156 -5.985 -4.520 1.00 0.00 C ATOM 0 H VAL A 10 10.959 -3.663 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 10 8.381 -4.491 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 10 10.896 -6.019 -3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.532 -8.035 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.740 -7.045 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.202 -7.000 -2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.401 -6.930 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.075 -5.903 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.522 -5.159 -5.130 1.00 0.00 H new ATOM 158 N VAL A 11 9.334 -4.687 -0.048 1.00 0.00 N ATOM 159 CA VAL A 11 9.930 -4.645 1.327 1.00 0.00 C ATOM 160 C VAL A 11 9.854 -5.988 2.044 1.00 0.00 C ATOM 161 O VAL A 11 10.457 -6.162 3.085 1.00 0.00 O ATOM 162 CB VAL A 11 9.150 -3.612 2.153 1.00 0.00 C ATOM 163 CG1 VAL A 11 10.138 -2.707 2.893 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.290 -2.760 1.218 1.00 0.00 C ATOM 0 H VAL A 11 8.324 -4.825 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 11 10.984 -4.384 1.226 1.00 0.00 H new ATOM 0 HB VAL A 11 8.512 -4.125 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.588 -1.972 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.758 -3.311 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.772 -2.193 2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.735 -2.026 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.931 -2.245 0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.590 -3.401 0.682 1.00 0.00 H new ATOM 174 N ALA A 12 9.131 -6.916 1.495 1.00 0.00 N ATOM 175 CA ALA A 12 9.039 -8.236 2.174 1.00 0.00 C ATOM 176 C ALA A 12 8.066 -9.170 1.469 1.00 0.00 C ATOM 177 O ALA A 12 7.331 -8.766 0.590 1.00 0.00 O ATOM 178 CB ALA A 12 8.537 -8.006 3.607 1.00 0.00 C ATOM 0 H ALA A 12 8.609 -6.825 0.624 1.00 0.00 H new ATOM 0 HA ALA A 12 10.026 -8.698 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.462 -8.963 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.236 -7.360 4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.556 -7.532 3.577 1.00 0.00 H new ATOM 184 N ALA A 13 8.082 -10.412 1.882 1.00 0.00 N ATOM 185 CA ALA A 13 7.173 -11.407 1.262 1.00 0.00 C ATOM 186 C ALA A 13 6.805 -12.501 2.266 1.00 0.00 C ATOM 187 O ALA A 13 7.659 -13.017 2.959 1.00 0.00 O ATOM 188 CB ALA A 13 7.906 -12.054 0.078 1.00 0.00 C ATOM 0 H ALA A 13 8.686 -10.774 2.620 1.00 0.00 H new ATOM 0 HA ALA A 13 6.261 -10.907 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.256 -12.790 -0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.172 -11.286 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.811 -12.545 0.435 1.00 0.00 H new ATOM 194 N THR A 14 5.535 -12.827 2.321 1.00 0.00 N ATOM 195 CA THR A 14 5.072 -13.884 3.268 1.00 0.00 C ATOM 196 C THR A 14 4.275 -14.955 2.502 1.00 0.00 C ATOM 197 O THR A 14 3.814 -14.711 1.404 1.00 0.00 O ATOM 198 CB THR A 14 4.156 -13.218 4.312 1.00 0.00 C ATOM 199 OG1 THR A 14 3.884 -11.931 3.795 1.00 0.00 O ATOM 200 CG2 THR A 14 4.915 -12.943 5.624 1.00 0.00 C ATOM 0 H THR A 14 4.802 -12.406 1.750 1.00 0.00 H new ATOM 0 HA THR A 14 5.926 -14.357 3.752 1.00 0.00 H new ATOM 0 HB THR A 14 3.290 -13.853 4.498 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.206 -11.998 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.243 -12.473 6.342 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.284 -13.883 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.756 -12.279 5.425 1.00 0.00 H new ATOM 208 N PRO A 15 4.109 -16.126 3.101 1.00 0.00 N ATOM 209 CA PRO A 15 3.370 -17.206 2.455 1.00 0.00 C ATOM 210 C PRO A 15 1.996 -16.746 1.973 1.00 0.00 C ATOM 211 O PRO A 15 1.348 -17.429 1.208 1.00 0.00 O ATOM 212 CB PRO A 15 3.207 -18.285 3.547 1.00 0.00 C ATOM 213 CG PRO A 15 3.993 -17.798 4.801 1.00 0.00 C ATOM 214 CD PRO A 15 4.609 -16.434 4.453 1.00 0.00 C ATOM 0 HA PRO A 15 3.898 -17.568 1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.154 -18.433 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.593 -19.244 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.329 -17.712 5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.770 -18.514 5.069 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.307 -15.670 5.169 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.698 -16.476 4.471 1.00 0.00 H new ATOM 222 N THR A 16 1.581 -15.593 2.418 1.00 0.00 N ATOM 223 CA THR A 16 0.250 -15.089 1.987 1.00 0.00 C ATOM 224 C THR A 16 0.162 -13.580 2.142 1.00 0.00 C ATOM 225 O THR A 16 -0.790 -13.068 2.698 1.00 0.00 O ATOM 226 CB THR A 16 -0.809 -15.729 2.886 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.306 -17.009 3.203 1.00 0.00 O ATOM 228 CG2 THR A 16 -2.098 -16.002 2.103 1.00 0.00 C ATOM 0 H THR A 16 2.099 -14.985 3.053 1.00 0.00 H new ATOM 0 HA THR A 16 0.095 -15.341 0.938 1.00 0.00 H new ATOM 0 HB THR A 16 -1.011 -15.079 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.943 -17.476 3.784 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.836 -16.457 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.491 -15.064 1.711 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.885 -16.679 1.276 1.00 0.00 H new ATOM 236 N SER A 17 1.148 -12.887 1.650 1.00 0.00 N ATOM 237 CA SER A 17 1.116 -11.411 1.772 1.00 0.00 C ATOM 238 C SER A 17 2.424 -10.796 1.294 1.00 0.00 C ATOM 239 O SER A 17 3.482 -11.315 1.562 1.00 0.00 O ATOM 240 CB SER A 17 0.924 -11.062 3.259 1.00 0.00 C ATOM 241 OG SER A 17 1.437 -12.192 3.951 1.00 0.00 O ATOM 0 H SER A 17 1.963 -13.275 1.175 1.00 0.00 H new ATOM 0 HA SER A 17 0.304 -11.018 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.462 -10.153 3.527 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.126 -10.893 3.496 1.00 0.00 H new ATOM 0 HG SER A 17 2.252 -11.939 4.432 1.00 0.00 H new ATOM 247 N LEU A 18 2.320 -9.696 0.583 1.00 0.00 N ATOM 248 CA LEU A 18 3.552 -9.025 0.077 1.00 0.00 C ATOM 249 C LEU A 18 3.521 -7.532 0.404 1.00 0.00 C ATOM 250 O LEU A 18 2.530 -6.870 0.183 1.00 0.00 O ATOM 251 CB LEU A 18 3.612 -9.213 -1.451 1.00 0.00 C ATOM 252 CG LEU A 18 5.024 -8.904 -1.937 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.778 -10.218 -2.157 1.00 0.00 C ATOM 254 CD2 LEU A 18 4.940 -8.142 -3.258 1.00 0.00 C ATOM 0 H LEU A 18 1.441 -9.241 0.335 1.00 0.00 H new ATOM 0 HA LEU A 18 4.429 -9.464 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.339 -10.235 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.894 -8.554 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 18 5.548 -8.300 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.789 -10.004 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.827 -10.771 -1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.256 -10.816 -2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.946 -7.917 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.422 -8.752 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.392 -7.212 -3.107 1.00 0.00 H new ATOM 266 N LEU A 19 4.607 -7.027 0.935 1.00 0.00 N ATOM 267 CA LEU A 19 4.642 -5.578 1.279 1.00 0.00 C ATOM 268 C LEU A 19 5.234 -4.759 0.138 1.00 0.00 C ATOM 269 O LEU A 19 6.314 -5.048 -0.337 1.00 0.00 O ATOM 270 CB LEU A 19 5.523 -5.386 2.529 1.00 0.00 C ATOM 271 CG LEU A 19 5.006 -4.182 3.332 1.00 0.00 C ATOM 272 CD1 LEU A 19 3.896 -4.638 4.279 1.00 0.00 C ATOM 273 CD2 LEU A 19 6.150 -3.599 4.161 1.00 0.00 C ATOM 0 H LEU A 19 5.458 -7.549 1.142 1.00 0.00 H new ATOM 0 HA LEU A 19 3.622 -5.240 1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.502 -6.285 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.560 -5.224 2.236 1.00 0.00 H new ATOM 0 HG LEU A 19 4.620 -3.429 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.530 -3.784 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.078 -5.067 3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.288 -5.389 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.787 -2.745 4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.527 -4.359 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.953 -3.277 3.498 1.00 0.00 H new ATOM 285 N ILE A 20 4.501 -3.753 -0.282 1.00 0.00 N ATOM 286 CA ILE A 20 4.992 -2.888 -1.392 1.00 0.00 C ATOM 287 C ILE A 20 4.928 -1.432 -0.986 1.00 0.00 C ATOM 288 O ILE A 20 4.160 -1.063 -0.117 1.00 0.00 O ATOM 289 CB ILE A 20 4.093 -3.091 -2.614 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.660 -2.686 -2.286 1.00 0.00 C ATOM 291 CG2 ILE A 20 4.109 -4.579 -2.988 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.294 -1.426 -3.077 1.00 0.00 C ATOM 0 H ILE A 20 3.589 -3.498 0.097 1.00 0.00 H new ATOM 0 HA ILE A 20 6.023 -3.156 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 20 4.459 -2.479 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.975 -3.497 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.559 -2.500 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.473 -4.742 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.129 -4.884 -3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.737 -5.169 -2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.270 -1.135 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.972 -0.617 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.379 -1.629 -4.145 1.00 0.00 H new ATOM 304 N SER A 21 5.734 -0.624 -1.612 1.00 0.00 N ATOM 305 CA SER A 21 5.721 0.813 -1.262 1.00 0.00 C ATOM 306 C SER A 21 6.018 1.686 -2.470 1.00 0.00 C ATOM 307 O SER A 21 6.796 1.318 -3.342 1.00 0.00 O ATOM 308 CB SER A 21 6.807 1.064 -0.208 1.00 0.00 C ATOM 309 OG SER A 21 7.705 -0.024 -0.369 1.00 0.00 O ATOM 0 H SER A 21 6.393 -0.896 -2.342 1.00 0.00 H new ATOM 0 HA SER A 21 4.729 1.067 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.306 2.020 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.388 1.089 0.798 1.00 0.00 H new ATOM 0 HG SER A 21 8.440 0.061 0.274 1.00 0.00 H new ATOM 315 N TRP A 22 5.382 2.828 -2.503 1.00 0.00 N ATOM 316 CA TRP A 22 5.594 3.762 -3.625 1.00 0.00 C ATOM 317 C TRP A 22 5.527 5.193 -3.104 1.00 0.00 C ATOM 318 O TRP A 22 5.907 5.447 -1.978 1.00 0.00 O ATOM 319 CB TRP A 22 4.519 3.514 -4.719 1.00 0.00 C ATOM 320 CG TRP A 22 3.169 4.134 -4.343 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.703 5.258 -4.864 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.295 3.594 -3.517 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.482 5.384 -4.311 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.148 4.366 -3.440 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.378 2.421 -2.787 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.099 3.973 -2.636 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.325 2.030 -1.982 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.186 2.806 -1.908 1.00 0.00 C ATOM 0 H TRP A 22 4.723 3.147 -1.793 1.00 0.00 H new ATOM 0 HA TRP A 22 6.576 3.599 -4.070 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.860 3.933 -5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.396 2.442 -4.871 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.188 5.919 -5.567 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.858 6.164 -4.518 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.267 1.810 -2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.792 4.580 -2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.393 1.116 -1.410 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.637 2.499 -1.280 1.00 0.00 H new ATOM 415 N VAL A 29 -4.630 15.146 -4.993 1.00 0.00 N ATOM 416 CA VAL A 29 -4.883 13.738 -5.398 1.00 0.00 C ATOM 417 C VAL A 29 -6.184 13.231 -4.797 1.00 0.00 C ATOM 418 O VAL A 29 -6.475 13.487 -3.646 1.00 0.00 O ATOM 419 CB VAL A 29 -3.730 12.871 -4.860 1.00 0.00 C ATOM 420 CG1 VAL A 29 -4.119 11.391 -4.954 1.00 0.00 C ATOM 421 CG2 VAL A 29 -2.478 13.115 -5.703 1.00 0.00 C ATOM 0 HA VAL A 29 -4.951 13.684 -6.485 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.532 13.133 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.304 10.776 -4.574 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.016 11.212 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.314 11.132 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.660 12.503 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.680 12.849 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.200 14.167 -5.646 1.00 0.00 H new ATOM 431 N ARG A 30 -6.947 12.525 -5.585 1.00 0.00 N ATOM 432 CA ARG A 30 -8.228 11.996 -5.065 1.00 0.00 C ATOM 433 C ARG A 30 -8.030 10.585 -4.534 1.00 0.00 C ATOM 434 O ARG A 30 -8.300 10.312 -3.381 1.00 0.00 O ATOM 435 CB ARG A 30 -9.256 11.971 -6.208 1.00 0.00 C ATOM 436 CG ARG A 30 -9.556 13.415 -6.644 1.00 0.00 C ATOM 437 CD ARG A 30 -11.065 13.681 -6.547 1.00 0.00 C ATOM 438 NE ARG A 30 -11.452 13.761 -5.111 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.401 14.912 -4.497 1.00 0.00 C ATOM 440 NH1 ARG A 30 -12.367 15.772 -4.685 1.00 0.00 N ATOM 441 NH2 ARG A 30 -10.389 15.163 -3.713 1.00 0.00 N ATOM 0 H ARG A 30 -6.738 12.296 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.583 12.633 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.869 11.396 -7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.172 11.479 -5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.012 14.117 -6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.214 13.575 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.317 14.611 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.620 12.885 -7.043 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.754 12.924 -4.612 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.144 15.539 -5.303 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.344 16.676 -4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.655 14.466 -3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.332 16.057 -3.225 1.00 0.00 H new ATOM 455 N TYR A 31 -7.557 9.707 -5.383 1.00 0.00 N ATOM 456 CA TYR A 31 -7.338 8.312 -4.923 1.00 0.00 C ATOM 457 C TYR A 31 -6.462 7.523 -5.888 1.00 0.00 C ATOM 458 O TYR A 31 -6.220 7.931 -7.016 1.00 0.00 O ATOM 459 CB TYR A 31 -8.693 7.593 -4.811 1.00 0.00 C ATOM 460 CG TYR A 31 -9.762 8.360 -5.586 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.646 8.540 -6.950 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.871 8.866 -4.936 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.624 9.215 -7.653 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.847 9.540 -5.639 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.732 9.720 -7.003 1.00 0.00 C ATOM 466 OH TYR A 31 -12.711 10.393 -7.704 1.00 0.00 O ATOM 0 H TYR A 31 -7.318 9.895 -6.357 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.835 8.363 -3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.608 6.579 -5.201 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.983 7.509 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.784 8.150 -7.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.974 8.733 -3.869 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.521 9.349 -8.720 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.709 9.930 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.418 10.678 -7.088 1.00 0.00 H new ATOM 476 N TYR A 32 -6.013 6.393 -5.413 1.00 0.00 N ATOM 477 CA TYR A 32 -5.147 5.517 -6.236 1.00 0.00 C ATOM 478 C TYR A 32 -5.818 4.166 -6.414 1.00 0.00 C ATOM 479 O TYR A 32 -6.648 3.801 -5.621 1.00 0.00 O ATOM 480 CB TYR A 32 -3.832 5.292 -5.466 1.00 0.00 C ATOM 481 CG TYR A 32 -2.729 6.188 -6.025 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.740 7.544 -5.785 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.684 5.644 -6.746 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.719 8.344 -6.254 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.665 6.446 -7.214 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.677 7.801 -6.969 1.00 0.00 C ATOM 487 OH TYR A 32 0.344 8.603 -7.417 1.00 0.00 O ATOM 0 H TYR A 32 -6.215 6.040 -4.478 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.968 5.977 -7.208 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.982 5.506 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.533 4.246 -5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.553 7.984 -5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.665 4.583 -6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.738 9.406 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.147 6.009 -7.776 1.00 0.00 H new ATOM 0 HH TYR A 32 0.948 8.078 -7.983 1.00 0.00 H new ATOM 497 N ARG A 33 -5.469 3.457 -7.462 1.00 0.00 N ATOM 498 CA ARG A 33 -6.101 2.112 -7.681 1.00 0.00 C ATOM 499 C ARG A 33 -5.037 1.098 -8.064 1.00 0.00 C ATOM 500 O ARG A 33 -4.549 1.093 -9.178 1.00 0.00 O ATOM 501 CB ARG A 33 -7.152 2.190 -8.815 1.00 0.00 C ATOM 502 CG ARG A 33 -7.789 3.584 -8.843 1.00 0.00 C ATOM 503 CD ARG A 33 -9.116 3.517 -9.618 1.00 0.00 C ATOM 504 NE ARG A 33 -10.222 3.188 -8.669 1.00 0.00 N ATOM 505 CZ ARG A 33 -11.242 2.481 -9.086 1.00 0.00 C ATOM 506 NH1 ARG A 33 -11.017 1.353 -9.705 1.00 0.00 N ATOM 507 NH2 ARG A 33 -12.452 2.923 -8.864 1.00 0.00 N ATOM 0 H ARG A 33 -4.787 3.743 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.589 1.805 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.681 1.977 -9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.921 1.433 -8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.965 3.937 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.113 4.297 -9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.313 4.470 -10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.056 2.762 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.183 3.512 -7.703 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.059 1.037 -9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.799 0.789 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.590 3.806 -8.373 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.258 2.385 -9.182 1.00 0.00 H new ATOM 521 N ILE A 34 -4.693 0.256 -7.123 1.00 0.00 N ATOM 522 CA ILE A 34 -3.661 -0.768 -7.400 1.00 0.00 C ATOM 523 C ILE A 34 -4.282 -2.100 -7.792 1.00 0.00 C ATOM 524 O ILE A 34 -5.054 -2.675 -7.047 1.00 0.00 O ATOM 525 CB ILE A 34 -2.832 -0.964 -6.128 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.229 0.375 -5.705 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.684 -1.959 -6.429 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.909 0.847 -4.417 1.00 0.00 C ATOM 0 H ILE A 34 -5.084 0.239 -6.181 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.044 -0.427 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.466 -1.350 -5.330 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.156 0.271 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.365 1.114 -6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.086 -2.107 -5.530 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.104 -2.913 -6.747 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.053 -1.558 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.483 1.802 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.978 0.966 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.750 0.109 -3.630 1.00 0.00 H new ATOM 540 N THR A 35 -3.924 -2.564 -8.961 1.00 0.00 N ATOM 541 CA THR A 35 -4.463 -3.857 -9.454 1.00 0.00 C ATOM 542 C THR A 35 -3.321 -4.824 -9.702 1.00 0.00 C ATOM 543 O THR A 35 -2.273 -4.426 -10.176 1.00 0.00 O ATOM 544 CB THR A 35 -5.192 -3.610 -10.780 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.173 -3.536 -11.757 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.846 -2.220 -10.798 1.00 0.00 C ATOM 0 H THR A 35 -3.277 -2.097 -9.596 1.00 0.00 H new ATOM 0 HA THR A 35 -5.144 -4.276 -8.713 1.00 0.00 H new ATOM 0 HB THR A 35 -5.942 -4.385 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.574 -3.379 -12.637 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.356 -2.070 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.567 -2.147 -9.984 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.079 -1.455 -10.673 1.00 0.00 H new ATOM 554 N TYR A 36 -3.530 -6.077 -9.379 1.00 0.00 N ATOM 555 CA TYR A 36 -2.444 -7.067 -9.602 1.00 0.00 C ATOM 556 C TYR A 36 -2.990 -8.367 -10.142 1.00 0.00 C ATOM 557 O TYR A 36 -4.080 -8.792 -9.775 1.00 0.00 O ATOM 558 CB TYR A 36 -1.756 -7.343 -8.263 1.00 0.00 C ATOM 559 CG TYR A 36 -2.771 -7.930 -7.283 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.686 -7.113 -6.657 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.763 -9.279 -6.989 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.579 -7.632 -5.745 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.657 -9.801 -6.076 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.571 -8.983 -5.445 1.00 0.00 C ATOM 565 OH TYR A 36 -5.460 -9.505 -4.527 1.00 0.00 O ATOM 0 H TYR A 36 -4.391 -6.448 -8.978 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.743 -6.658 -10.330 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.927 -8.036 -8.404 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.336 -6.421 -7.860 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.704 -6.057 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.053 -9.930 -7.477 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.290 -6.980 -5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.641 -10.858 -5.854 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.022 -9.580 -3.653 1.00 0.00 H new ATOM 575 N GLY A 37 -2.215 -8.978 -11.009 1.00 0.00 N ATOM 576 CA GLY A 37 -2.639 -10.270 -11.615 1.00 0.00 C ATOM 577 C GLY A 37 -1.487 -10.868 -12.442 1.00 0.00 C ATOM 578 O GLY A 37 -0.635 -10.153 -12.925 1.00 0.00 O ATOM 0 H GLY A 37 -1.307 -8.632 -11.320 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.936 -10.968 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.511 -10.114 -12.250 1.00 0.00 H new ATOM 582 N GLU A 38 -1.481 -12.172 -12.577 1.00 0.00 N ATOM 583 CA GLU A 38 -0.391 -12.818 -13.366 1.00 0.00 C ATOM 584 C GLU A 38 -0.592 -12.595 -14.859 1.00 0.00 C ATOM 585 O GLU A 38 -1.647 -12.178 -15.290 1.00 0.00 O ATOM 586 CB GLU A 38 -0.393 -14.342 -13.102 1.00 0.00 C ATOM 587 CG GLU A 38 -1.621 -14.739 -12.283 1.00 0.00 C ATOM 588 CD GLU A 38 -2.894 -14.380 -13.059 1.00 0.00 C ATOM 589 OE1 GLU A 38 -2.838 -14.490 -14.272 1.00 0.00 O ATOM 590 OE2 GLU A 38 -3.849 -14.012 -12.393 1.00 0.00 O ATOM 0 H GLU A 38 -2.174 -12.807 -12.181 1.00 0.00 H new ATOM 0 HA GLU A 38 0.555 -12.373 -13.058 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.390 -14.882 -14.049 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.515 -14.627 -12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.600 -15.808 -12.073 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.612 -14.225 -11.322 1.00 0.00 H new ATOM 597 N THR A 39 0.430 -12.881 -15.621 1.00 0.00 N ATOM 598 CA THR A 39 0.322 -12.694 -17.086 1.00 0.00 C ATOM 599 C THR A 39 -0.521 -13.798 -17.715 1.00 0.00 C ATOM 600 O THR A 39 -0.668 -14.865 -17.154 1.00 0.00 O ATOM 601 CB THR A 39 1.731 -12.750 -17.684 1.00 0.00 C ATOM 602 OG1 THR A 39 2.391 -11.600 -17.191 1.00 0.00 O ATOM 603 CG2 THR A 39 1.685 -12.549 -19.206 1.00 0.00 C ATOM 0 H THR A 39 1.328 -13.234 -15.289 1.00 0.00 H new ATOM 0 HA THR A 39 -0.154 -11.734 -17.288 1.00 0.00 H new ATOM 0 HB THR A 39 2.201 -13.703 -17.439 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.013 -11.860 -16.479 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.697 -12.593 -19.609 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.080 -13.334 -19.659 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.246 -11.577 -19.432 1.00 0.00 H new ATOM 664 N VAL A 45 -7.878 -11.487 -11.067 1.00 0.00 N ATOM 665 CA VAL A 45 -7.277 -11.581 -9.715 1.00 0.00 C ATOM 666 C VAL A 45 -7.916 -10.586 -8.763 1.00 0.00 C ATOM 667 O VAL A 45 -8.949 -10.871 -8.189 1.00 0.00 O ATOM 668 CB VAL A 45 -5.790 -11.289 -9.863 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.091 -11.402 -8.497 1.00 0.00 C ATOM 670 CG2 VAL A 45 -5.187 -12.323 -10.818 1.00 0.00 C ATOM 0 HA VAL A 45 -7.441 -12.575 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.652 -10.280 -10.251 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.028 -11.191 -8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.529 -10.684 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.220 -12.411 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.121 -12.130 -10.937 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.332 -13.323 -10.410 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.679 -12.253 -11.788 1.00 0.00 H new ATOM 680 N GLN A 46 -7.316 -9.432 -8.588 1.00 0.00 N ATOM 681 CA GLN A 46 -7.956 -8.472 -7.649 1.00 0.00 C ATOM 682 C GLN A 46 -7.370 -7.072 -7.739 1.00 0.00 C ATOM 683 O GLN A 46 -6.399 -6.834 -8.430 1.00 0.00 O ATOM 684 CB GLN A 46 -7.755 -8.996 -6.219 1.00 0.00 C ATOM 685 CG GLN A 46 -9.114 -9.103 -5.526 1.00 0.00 C ATOM 686 CD GLN A 46 -8.907 -9.524 -4.068 1.00 0.00 C ATOM 687 OE1 GLN A 46 -7.858 -10.240 -3.755 1.00 0.00 O flip ATOM 688 NE2 GLN A 46 -9.692 -9.202 -3.200 1.00 0.00 N flip ATOM 0 H GLN A 46 -6.451 -9.127 -9.034 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.010 -8.399 -7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.267 -9.971 -6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.101 -8.325 -5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.634 -8.146 -5.570 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.741 -9.830 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.512 -8.644 -3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.531 -9.490 -2.235 1.00 0.00 H new ATOM 697 N GLU A 47 -7.988 -6.169 -7.015 1.00 0.00 N ATOM 698 CA GLU A 47 -7.520 -4.765 -7.012 1.00 0.00 C ATOM 699 C GLU A 47 -8.219 -3.976 -5.900 1.00 0.00 C ATOM 700 O GLU A 47 -9.187 -4.438 -5.329 1.00 0.00 O ATOM 701 CB GLU A 47 -7.889 -4.138 -8.368 1.00 0.00 C ATOM 702 CG GLU A 47 -9.410 -4.214 -8.559 1.00 0.00 C ATOM 703 CD GLU A 47 -9.772 -3.737 -9.966 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.387 -4.435 -10.890 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.416 -2.703 -10.038 1.00 0.00 O ATOM 0 H GLU A 47 -8.800 -6.355 -6.426 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.443 -4.737 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.557 -3.101 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.382 -4.665 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.755 -5.237 -8.410 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.912 -3.597 -7.814 1.00 0.00 H new ATOM 712 N PHE A 48 -7.721 -2.800 -5.611 1.00 0.00 N ATOM 713 CA PHE A 48 -8.358 -1.985 -4.538 1.00 0.00 C ATOM 714 C PHE A 48 -7.903 -0.534 -4.614 1.00 0.00 C ATOM 715 O PHE A 48 -6.881 -0.239 -5.206 1.00 0.00 O ATOM 716 CB PHE A 48 -7.949 -2.559 -3.176 1.00 0.00 C ATOM 717 CG PHE A 48 -6.428 -2.711 -3.124 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.816 -3.824 -3.668 1.00 0.00 C ATOM 719 CD2 PHE A 48 -5.644 -1.738 -2.525 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.446 -3.965 -3.613 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.273 -1.884 -2.471 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.677 -2.995 -3.016 1.00 0.00 C ATOM 0 H PHE A 48 -6.912 -2.376 -6.065 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.440 -2.020 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.287 -1.901 -2.375 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.428 -3.525 -3.018 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.415 -4.589 -4.140 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.108 -0.861 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.976 -4.839 -4.040 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.668 -1.124 -2.000 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.604 -3.106 -2.975 1.00 0.00 H new ATOM 732 N THR A 49 -8.669 0.349 -4.002 1.00 0.00 N ATOM 733 CA THR A 49 -8.299 1.792 -4.025 1.00 0.00 C ATOM 734 C THR A 49 -8.083 2.339 -2.620 1.00 0.00 C ATOM 735 O THR A 49 -8.523 1.762 -1.645 1.00 0.00 O ATOM 736 CB THR A 49 -9.435 2.576 -4.686 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.079 3.264 -3.634 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.503 1.625 -5.239 1.00 0.00 C ATOM 0 H THR A 49 -9.525 0.127 -3.494 1.00 0.00 H new ATOM 0 HA THR A 49 -7.367 1.899 -4.580 1.00 0.00 H new ATOM 0 HB THR A 49 -9.035 3.205 -5.481 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.822 3.791 -3.995 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.300 2.204 -5.704 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.054 0.965 -5.981 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.915 1.028 -4.425 1.00 0.00 H new ATOM 746 N VAL A 50 -7.405 3.456 -2.547 1.00 0.00 N ATOM 747 CA VAL A 50 -7.141 4.071 -1.224 1.00 0.00 C ATOM 748 C VAL A 50 -7.075 5.606 -1.356 1.00 0.00 C ATOM 749 O VAL A 50 -6.854 6.118 -2.436 1.00 0.00 O ATOM 750 CB VAL A 50 -5.773 3.559 -0.739 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.973 2.316 0.128 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.920 3.193 -1.955 1.00 0.00 C ATOM 0 H VAL A 50 -7.026 3.963 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.936 3.810 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.276 4.333 -0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.005 1.953 0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.592 2.569 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.465 1.539 -0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.948 2.829 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.421 2.414 -2.530 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.782 4.074 -2.581 1.00 0.00 H new ATOM 762 N PRO A 51 -7.266 6.328 -0.247 1.00 0.00 N ATOM 763 CA PRO A 51 -7.218 7.792 -0.282 1.00 0.00 C ATOM 764 C PRO A 51 -5.818 8.317 -0.646 1.00 0.00 C ATOM 765 O PRO A 51 -5.483 9.445 -0.341 1.00 0.00 O ATOM 766 CB PRO A 51 -7.568 8.236 1.154 1.00 0.00 C ATOM 767 CG PRO A 51 -7.661 6.951 2.030 1.00 0.00 C ATOM 768 CD PRO A 51 -7.570 5.746 1.080 1.00 0.00 C ATOM 0 HA PRO A 51 -7.901 8.181 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.806 8.911 1.543 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.513 8.779 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.854 6.925 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.598 6.932 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.790 5.053 1.395 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.505 5.187 1.061 1.00 0.00 H new ATOM 776 N GLY A 52 -5.031 7.491 -1.291 1.00 0.00 N ATOM 777 CA GLY A 52 -3.655 7.934 -1.677 1.00 0.00 C ATOM 778 C GLY A 52 -2.928 8.557 -0.479 1.00 0.00 C ATOM 779 O GLY A 52 -1.946 9.255 -0.644 1.00 0.00 O ATOM 0 H GLY A 52 -5.278 6.540 -1.564 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.086 7.083 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.716 8.659 -2.489 1.00 0.00 H new ATOM 783 N SER A 53 -3.421 8.293 0.702 1.00 0.00 N ATOM 784 CA SER A 53 -2.766 8.866 1.911 1.00 0.00 C ATOM 785 C SER A 53 -1.605 7.993 2.365 1.00 0.00 C ATOM 786 O SER A 53 -0.548 8.488 2.707 1.00 0.00 O ATOM 787 CB SER A 53 -3.802 8.926 3.041 1.00 0.00 C ATOM 788 OG SER A 53 -3.749 10.272 3.489 1.00 0.00 O ATOM 0 H SER A 53 -4.240 7.712 0.880 1.00 0.00 H new ATOM 0 HA SER A 53 -2.386 9.859 1.670 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.798 8.664 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.558 8.229 3.843 1.00 0.00 H new ATOM 0 HG SER A 53 -4.390 10.399 4.219 1.00 0.00 H new ATOM 794 N LYS A 54 -1.820 6.711 2.362 1.00 0.00 N ATOM 795 CA LYS A 54 -0.742 5.792 2.791 1.00 0.00 C ATOM 796 C LYS A 54 0.278 5.590 1.676 1.00 0.00 C ATOM 797 O LYS A 54 -0.064 5.181 0.585 1.00 0.00 O ATOM 798 CB LYS A 54 -1.377 4.439 3.131 1.00 0.00 C ATOM 799 CG LYS A 54 -2.288 4.607 4.350 1.00 0.00 C ATOM 800 CD LYS A 54 -1.481 4.350 5.625 1.00 0.00 C ATOM 801 CE LYS A 54 -1.519 2.854 5.947 1.00 0.00 C ATOM 802 NZ LYS A 54 -2.921 2.407 6.180 1.00 0.00 N ATOM 0 H LYS A 54 -2.693 6.263 2.082 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.231 6.218 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.950 4.068 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.602 3.701 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.708 5.613 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.126 3.913 4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.451 4.680 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.895 4.924 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.082 2.288 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.914 2.651 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.925 1.614 6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.476 3.195 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.342 2.100 5.280 1.00 0.00 H new ATOM 816 N SER A 55 1.517 5.881 1.972 1.00 0.00 N ATOM 817 CA SER A 55 2.573 5.713 0.942 1.00 0.00 C ATOM 818 C SER A 55 3.010 4.257 0.861 1.00 0.00 C ATOM 819 O SER A 55 3.692 3.858 -0.064 1.00 0.00 O ATOM 820 CB SER A 55 3.781 6.576 1.343 1.00 0.00 C ATOM 821 OG SER A 55 3.248 7.887 1.455 1.00 0.00 O ATOM 0 H SER A 55 1.838 6.225 2.877 1.00 0.00 H new ATOM 0 HA SER A 55 2.184 6.017 -0.030 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.215 6.241 2.285 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.571 6.529 0.593 1.00 0.00 H new ATOM 0 HG SER A 55 3.960 8.509 1.713 1.00 0.00 H new ATOM 827 N THR A 56 2.604 3.495 1.836 1.00 0.00 N ATOM 828 CA THR A 56 2.972 2.055 1.859 1.00 0.00 C ATOM 829 C THR A 56 1.778 1.214 2.298 1.00 0.00 C ATOM 830 O THR A 56 0.960 1.661 3.077 1.00 0.00 O ATOM 831 CB THR A 56 4.105 1.865 2.874 1.00 0.00 C ATOM 832 OG1 THR A 56 3.506 2.062 4.140 1.00 0.00 O ATOM 833 CG2 THR A 56 5.142 2.996 2.760 1.00 0.00 C ATOM 0 H THR A 56 2.032 3.809 2.620 1.00 0.00 H new ATOM 0 HA THR A 56 3.283 1.742 0.862 1.00 0.00 H new ATOM 0 HB THR A 56 4.579 0.896 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.181 1.952 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.935 2.838 3.491 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.568 2.999 1.757 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.658 3.954 2.951 1.00 0.00 H new ATOM 841 N ALA A 57 1.695 0.011 1.796 1.00 0.00 N ATOM 842 CA ALA A 57 0.550 -0.855 2.188 1.00 0.00 C ATOM 843 C ALA A 57 0.841 -2.325 1.906 1.00 0.00 C ATOM 844 O ALA A 57 1.766 -2.651 1.185 1.00 0.00 O ATOM 845 CB ALA A 57 -0.675 -0.431 1.366 1.00 0.00 C ATOM 0 H ALA A 57 2.359 -0.403 1.142 1.00 0.00 H new ATOM 0 HA ALA A 57 0.374 -0.740 3.257 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.528 -1.053 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.908 0.614 1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.460 -0.552 0.304 1.00 0.00 H new ATOM 851 N THR A 58 0.038 -3.189 2.487 1.00 0.00 N ATOM 852 CA THR A 58 0.240 -4.649 2.272 1.00 0.00 C ATOM 853 C THR A 58 -0.795 -5.211 1.307 1.00 0.00 C ATOM 854 O THR A 58 -1.979 -4.989 1.468 1.00 0.00 O ATOM 855 CB THR A 58 0.078 -5.365 3.618 1.00 0.00 C ATOM 856 OG1 THR A 58 0.939 -4.691 4.510 1.00 0.00 O ATOM 857 CG2 THR A 58 0.638 -6.795 3.544 1.00 0.00 C ATOM 0 H THR A 58 -0.742 -2.942 3.096 1.00 0.00 H new ATOM 0 HA THR A 58 1.234 -4.804 1.853 1.00 0.00 H new ATOM 0 HB THR A 58 -0.974 -5.379 3.904 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.880 -5.104 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.513 -7.285 4.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.101 -7.357 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.697 -6.758 3.290 1.00 0.00 H new ATOM 865 N ILE A 59 -0.321 -5.935 0.324 1.00 0.00 N ATOM 866 CA ILE A 59 -1.245 -6.532 -0.675 1.00 0.00 C ATOM 867 C ILE A 59 -1.250 -8.046 -0.529 1.00 0.00 C ATOM 868 O ILE A 59 -0.217 -8.680 -0.610 1.00 0.00 O ATOM 869 CB ILE A 59 -0.748 -6.160 -2.082 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.241 -7.186 -3.097 1.00 0.00 C ATOM 871 CG2 ILE A 59 0.794 -6.172 -2.073 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.235 -6.564 -4.500 1.00 0.00 C ATOM 0 H ILE A 59 0.668 -6.136 0.174 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.255 -6.155 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.126 -5.175 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.602 -8.069 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.247 -7.515 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.166 -5.910 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.159 -5.447 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.149 -7.167 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.587 -7.298 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.892 -5.694 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.221 -6.257 -4.758 1.00 0.00 H new ATOM 884 N SER A 60 -2.419 -8.596 -0.312 1.00 0.00 N ATOM 885 CA SER A 60 -2.520 -10.073 -0.155 1.00 0.00 C ATOM 886 C SER A 60 -3.604 -10.651 -1.051 1.00 0.00 C ATOM 887 O SER A 60 -4.514 -9.959 -1.458 1.00 0.00 O ATOM 888 CB SER A 60 -2.883 -10.371 1.305 1.00 0.00 C ATOM 889 OG SER A 60 -1.712 -10.036 2.026 1.00 0.00 O ATOM 0 H SER A 60 -3.300 -8.087 -0.238 1.00 0.00 H new ATOM 0 HA SER A 60 -1.567 -10.524 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.737 -9.778 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.151 -11.418 1.444 1.00 0.00 H new ATOM 0 HG SER A 60 -1.939 -9.887 2.968 1.00 0.00 H new ATOM 895 N GLY A 61 -3.484 -11.920 -1.343 1.00 0.00 N ATOM 896 CA GLY A 61 -4.501 -12.572 -2.213 1.00 0.00 C ATOM 897 C GLY A 61 -3.850 -13.645 -3.091 1.00 0.00 C ATOM 898 O GLY A 61 -4.516 -14.529 -3.589 1.00 0.00 O ATOM 0 H GLY A 61 -2.731 -12.527 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.280 -13.022 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.984 -11.824 -2.841 1.00 0.00 H new ATOM 902 N LEU A 62 -2.558 -13.544 -3.263 1.00 0.00 N ATOM 903 CA LEU A 62 -1.857 -14.550 -4.102 1.00 0.00 C ATOM 904 C LEU A 62 -1.615 -15.837 -3.324 1.00 0.00 C ATOM 905 O LEU A 62 -2.102 -16.002 -2.221 1.00 0.00 O ATOM 906 CB LEU A 62 -0.491 -13.955 -4.564 1.00 0.00 C ATOM 907 CG LEU A 62 0.560 -14.025 -3.426 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.817 -13.263 -3.862 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.006 -13.365 -2.159 1.00 0.00 C ATOM 0 H LEU A 62 -1.967 -12.816 -2.862 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.480 -14.786 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.127 -14.503 -5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.628 -12.919 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 62 0.796 -15.069 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.563 -13.306 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.223 -13.717 -4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.561 -12.223 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.751 -13.419 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.229 -12.321 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.899 -13.885 -1.844 1.00 0.00 H new ATOM 921 N LYS A 63 -0.866 -16.724 -3.913 1.00 0.00 N ATOM 922 CA LYS A 63 -0.581 -18.001 -3.226 1.00 0.00 C ATOM 923 C LYS A 63 0.709 -18.657 -3.764 1.00 0.00 C ATOM 924 O LYS A 63 1.518 -19.137 -2.997 1.00 0.00 O ATOM 925 CB LYS A 63 -1.786 -18.971 -3.419 1.00 0.00 C ATOM 926 CG LYS A 63 -2.347 -19.399 -2.057 1.00 0.00 C ATOM 927 CD LYS A 63 -1.401 -20.413 -1.416 1.00 0.00 C ATOM 928 CE LYS A 63 -1.938 -20.787 -0.035 1.00 0.00 C ATOM 929 NZ LYS A 63 -2.145 -19.562 0.788 1.00 0.00 N ATOM 0 H LYS A 63 -0.443 -16.617 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.434 -17.794 -2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.565 -18.482 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.469 -19.849 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.461 -18.530 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.338 -19.836 -2.180 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.320 -21.301 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.399 -19.992 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.879 -21.328 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.238 -21.456 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.109 -19.812 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.398 -18.871 0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.073 -19.148 0.566 1.00 0.00 H new ATOM 943 N PRO A 64 0.885 -18.666 -5.082 1.00 0.00 N ATOM 944 CA PRO A 64 2.066 -19.260 -5.687 1.00 0.00 C ATOM 945 C PRO A 64 3.204 -18.243 -5.823 1.00 0.00 C ATOM 946 O PRO A 64 3.162 -17.168 -5.261 1.00 0.00 O ATOM 947 CB PRO A 64 1.588 -19.671 -7.101 1.00 0.00 C ATOM 948 CG PRO A 64 0.213 -18.960 -7.333 1.00 0.00 C ATOM 949 CD PRO A 64 -0.093 -18.162 -6.056 1.00 0.00 C ATOM 0 HA PRO A 64 2.453 -20.085 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.312 -19.370 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.482 -20.753 -7.175 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.260 -18.300 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.572 -19.690 -7.530 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.020 -17.090 -6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -1.116 -18.327 -5.717 1.00 0.00 H new ATOM 957 N GLY A 65 4.189 -18.625 -6.573 1.00 0.00 N ATOM 958 CA GLY A 65 5.364 -17.741 -6.802 1.00 0.00 C ATOM 959 C GLY A 65 5.645 -17.732 -8.299 1.00 0.00 C ATOM 960 O GLY A 65 6.509 -18.437 -8.779 1.00 0.00 O ATOM 0 H GLY A 65 4.234 -19.527 -7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.160 -16.732 -6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.231 -18.105 -6.251 1.00 0.00 H new ATOM 964 N VAL A 66 4.897 -16.928 -9.002 1.00 0.00 N ATOM 965 CA VAL A 66 5.079 -16.844 -10.480 1.00 0.00 C ATOM 966 C VAL A 66 5.121 -15.391 -10.974 1.00 0.00 C ATOM 967 O VAL A 66 4.963 -14.453 -10.202 1.00 0.00 O ATOM 968 CB VAL A 66 3.853 -17.564 -11.106 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.570 -16.894 -10.604 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.895 -17.482 -12.635 1.00 0.00 C ATOM 0 H VAL A 66 4.168 -16.326 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 66 6.026 -17.301 -10.765 1.00 0.00 H new ATOM 0 HB VAL A 66 3.876 -18.613 -10.812 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.704 -17.394 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.523 -16.967 -9.517 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.569 -15.844 -10.898 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.027 -17.993 -13.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.883 -16.437 -12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.805 -17.958 -13.000 1.00 0.00 H new ATOM 980 N ASP A 67 5.375 -15.238 -12.254 1.00 0.00 N ATOM 981 CA ASP A 67 5.435 -13.885 -12.841 1.00 0.00 C ATOM 982 C ASP A 67 4.197 -13.097 -12.463 1.00 0.00 C ATOM 983 O ASP A 67 3.092 -13.499 -12.772 1.00 0.00 O ATOM 984 CB ASP A 67 5.485 -14.020 -14.373 1.00 0.00 C ATOM 985 CG ASP A 67 5.326 -12.636 -15.010 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.188 -12.209 -15.101 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.354 -12.086 -15.372 1.00 0.00 O ATOM 0 H ASP A 67 5.542 -16.002 -12.909 1.00 0.00 H new ATOM 0 HA ASP A 67 6.318 -13.367 -12.468 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.431 -14.467 -14.679 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.692 -14.684 -14.717 1.00 0.00 H new ATOM 992 N TYR A 68 4.404 -11.991 -11.798 1.00 0.00 N ATOM 993 CA TYR A 68 3.255 -11.157 -11.386 1.00 0.00 C ATOM 994 C TYR A 68 3.441 -9.713 -11.821 1.00 0.00 C ATOM 995 O TYR A 68 4.471 -9.111 -11.574 1.00 0.00 O ATOM 996 CB TYR A 68 3.154 -11.213 -9.864 1.00 0.00 C ATOM 997 CG TYR A 68 1.892 -11.984 -9.481 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.665 -11.355 -9.455 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.961 -13.330 -9.179 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.475 -12.060 -9.137 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.820 -14.034 -8.860 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.407 -13.405 -8.837 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.552 -14.112 -8.531 1.00 0.00 O ATOM 0 H TYR A 68 5.321 -11.636 -11.526 1.00 0.00 H new ATOM 0 HA TYR A 68 2.348 -11.537 -11.856 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.035 -11.700 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.120 -10.205 -9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.597 -10.302 -9.686 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.916 -13.834 -9.193 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.430 -11.556 -9.122 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.887 -15.086 -8.626 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.320 -15.046 -8.347 1.00 0.00 H new ATOM 1013 N THR A 69 2.434 -9.189 -12.470 1.00 0.00 N ATOM 1014 CA THR A 69 2.502 -7.787 -12.944 1.00 0.00 C ATOM 1015 C THR A 69 1.603 -6.904 -12.092 1.00 0.00 C ATOM 1016 O THR A 69 0.429 -7.190 -11.932 1.00 0.00 O ATOM 1017 CB THR A 69 2.003 -7.750 -14.391 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.563 -9.065 -14.667 1.00 0.00 O ATOM 1019 CG2 THR A 69 3.166 -7.520 -15.370 1.00 0.00 C ATOM 0 H THR A 69 1.567 -9.679 -12.690 1.00 0.00 H new ATOM 0 HA THR A 69 3.527 -7.423 -12.875 1.00 0.00 H new ATOM 0 HB THR A 69 1.253 -6.967 -14.501 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.226 -9.111 -15.586 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.784 -7.498 -16.390 1.00 0.00 H new ATOM 0 HG22 THR A 69 3.650 -6.570 -15.143 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.890 -8.329 -15.271 1.00 0.00 H new ATOM 1027 N ILE A 70 2.171 -5.845 -11.559 1.00 0.00 N ATOM 1028 CA ILE A 70 1.366 -4.922 -10.708 1.00 0.00 C ATOM 1029 C ILE A 70 1.191 -3.571 -11.389 1.00 0.00 C ATOM 1030 O ILE A 70 2.020 -3.164 -12.183 1.00 0.00 O ATOM 1031 CB ILE A 70 2.102 -4.745 -9.361 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.288 -3.787 -9.496 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.642 -6.121 -8.931 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.874 -2.396 -8.997 1.00 0.00 C ATOM 0 H ILE A 70 3.150 -5.586 -11.678 1.00 0.00 H new ATOM 0 HA ILE A 70 0.374 -5.343 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 70 1.405 -4.334 -8.630 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.136 -4.156 -8.919 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.610 -3.732 -10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.167 -6.025 -7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.812 -6.818 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.330 -6.495 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.716 -1.710 -9.091 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.039 -2.029 -9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.573 -2.459 -7.951 1.00 0.00 H new ATOM 1046 N THR A 71 0.115 -2.893 -11.070 1.00 0.00 N ATOM 1047 CA THR A 71 -0.116 -1.568 -11.699 1.00 0.00 C ATOM 1048 C THR A 71 -0.791 -0.605 -10.754 1.00 0.00 C ATOM 1049 O THR A 71 -1.624 -0.989 -9.966 1.00 0.00 O ATOM 1050 CB THR A 71 -1.029 -1.754 -12.911 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.292 -2.534 -13.821 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.253 -0.412 -13.633 1.00 0.00 C ATOM 0 H THR A 71 -0.600 -3.199 -10.410 1.00 0.00 H new ATOM 0 HA THR A 71 0.854 -1.158 -11.980 1.00 0.00 H new ATOM 0 HB THR A 71 -1.981 -2.182 -12.596 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.202 -2.050 -14.669 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.905 -0.566 -14.493 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.717 0.297 -12.947 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.295 -0.016 -13.971 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.405 0.644 -10.858 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.010 1.689 -9.975 1.00 0.00 C ATOM 1062 C VAL A 72 -1.588 2.829 -10.809 1.00 0.00 C ATOM 1063 O VAL A 72 -0.997 3.244 -11.797 1.00 0.00 O ATOM 1064 CB VAL A 72 0.085 2.246 -9.044 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.676 1.093 -8.231 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.186 2.886 -9.882 1.00 0.00 C ATOM 0 H VAL A 72 0.299 0.983 -11.513 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.815 1.241 -9.392 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.343 2.993 -8.376 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.452 1.475 -7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.110 0.626 -7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.107 0.355 -8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.961 3.280 -9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.619 2.138 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.766 3.698 -10.476 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.747 3.307 -10.397 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.404 4.423 -11.142 1.00 0.00 C ATOM 1078 C TYR A 73 -3.549 5.670 -10.280 1.00 0.00 C ATOM 1079 O TYR A 73 -4.444 5.750 -9.464 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.832 3.995 -11.514 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.823 2.948 -12.631 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.358 1.669 -12.397 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.328 3.256 -13.881 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.400 0.714 -13.394 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.367 2.301 -14.875 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.904 1.023 -14.640 1.00 0.00 C ATOM 1087 OH TYR A 73 -4.943 0.070 -15.638 1.00 0.00 O ATOM 0 H TYR A 73 -3.258 2.970 -9.581 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.785 4.642 -12.012 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.333 3.589 -10.635 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.404 4.866 -11.833 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.958 1.413 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.695 4.252 -14.080 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.035 -0.283 -13.196 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.764 2.556 -15.847 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.330 0.461 -16.449 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.674 6.618 -10.463 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.777 7.858 -9.651 1.00 0.00 C ATOM 1099 C ALA A 74 -3.860 8.732 -10.265 1.00 0.00 C ATOM 1100 O ALA A 74 -3.575 9.635 -11.024 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.430 8.598 -9.712 1.00 0.00 C ATOM 0 H ALA A 74 -1.903 6.589 -11.130 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.021 7.626 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.490 9.511 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.644 7.957 -9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.200 8.851 -10.747 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.094 8.461 -9.916 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.196 9.270 -10.487 1.00 0.00 C ATOM 1109 C VAL A 75 -6.541 10.498 -9.658 1.00 0.00 C ATOM 1110 O VAL A 75 -6.558 10.466 -8.442 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.443 8.374 -10.587 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.547 9.126 -11.340 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.076 7.099 -11.359 1.00 0.00 C ATOM 0 H VAL A 75 -5.376 7.724 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.866 9.631 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.797 8.114 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.433 8.495 -11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.797 10.040 -10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.198 9.378 -12.341 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.952 6.456 -11.436 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.732 7.365 -12.358 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.283 6.570 -10.831 1.00 0.00 H new ATOM 1123 N THR A 76 -6.805 11.565 -10.367 1.00 0.00 N ATOM 1124 CA THR A 76 -7.165 12.847 -9.717 1.00 0.00 C ATOM 1125 C THR A 76 -8.476 13.335 -10.324 1.00 0.00 C ATOM 1126 O THR A 76 -9.195 12.558 -10.920 1.00 0.00 O ATOM 1127 CB THR A 76 -6.067 13.877 -10.014 1.00 0.00 C ATOM 1128 OG1 THR A 76 -6.058 14.017 -11.420 1.00 0.00 O ATOM 1129 CG2 THR A 76 -4.676 13.318 -9.671 1.00 0.00 C ATOM 0 H THR A 76 -6.784 11.596 -11.386 1.00 0.00 H new ATOM 0 HA THR A 76 -7.268 12.715 -8.640 1.00 0.00 H new ATOM 0 HB THR A 76 -6.258 14.790 -9.450 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.373 14.668 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.918 14.069 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.637 13.063 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.486 12.425 -10.266 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.563 5.826 -15.766 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.215 4.569 -15.100 1.00 0.00 C ATOM 1268 C PRO A 87 0.156 4.040 -15.516 1.00 0.00 C ATOM 1269 O PRO A 87 0.679 4.391 -16.555 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.294 3.568 -15.558 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.200 4.298 -16.598 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.658 5.727 -16.750 1.00 0.00 C ATOM 0 HA PRO A 87 -1.173 4.714 -14.020 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.834 2.685 -16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.885 3.226 -14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.184 3.777 -17.555 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.237 4.314 -16.261 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.296 5.906 -17.762 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.434 6.467 -16.553 1.00 0.00 H new ATOM 1280 N ILE A 88 0.707 3.199 -14.683 1.00 0.00 N ATOM 1281 CA ILE A 88 2.041 2.616 -14.985 1.00 0.00 C ATOM 1282 C ILE A 88 2.131 1.224 -14.382 1.00 0.00 C ATOM 1283 O ILE A 88 1.722 1.018 -13.257 1.00 0.00 O ATOM 1284 CB ILE A 88 3.117 3.504 -14.374 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.494 2.981 -14.770 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.989 3.449 -12.845 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.575 3.907 -14.205 1.00 0.00 C ATOM 0 H ILE A 88 0.288 2.891 -13.805 1.00 0.00 H new ATOM 0 HA ILE A 88 2.183 2.552 -16.064 1.00 0.00 H new ATOM 0 HB ILE A 88 2.997 4.527 -14.730 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.633 1.969 -14.391 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.576 2.929 -15.856 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.754 4.081 -12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.002 3.806 -12.549 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.120 2.421 -12.506 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.559 3.533 -14.488 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.440 4.912 -14.606 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.497 3.937 -13.118 1.00 0.00 H new ATOM 1299 N SER A 89 2.676 0.293 -15.133 1.00 0.00 N ATOM 1300 CA SER A 89 2.792 -1.097 -14.604 1.00 0.00 C ATOM 1301 C SER A 89 4.201 -1.657 -14.716 1.00 0.00 C ATOM 1302 O SER A 89 4.839 -1.537 -15.741 1.00 0.00 O ATOM 1303 CB SER A 89 1.877 -1.987 -15.446 1.00 0.00 C ATOM 1304 OG SER A 89 0.678 -1.237 -15.571 1.00 0.00 O ATOM 0 H SER A 89 3.039 0.436 -16.075 1.00 0.00 H new ATOM 0 HA SER A 89 2.522 -1.077 -13.548 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.316 -2.200 -16.420 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.698 -2.946 -14.960 1.00 0.00 H new ATOM 0 HG SER A 89 0.086 -1.673 -16.219 1.00 0.00 H new ATOM 1310 N ILE A 90 4.653 -2.273 -13.645 1.00 0.00 N ATOM 1311 CA ILE A 90 6.016 -2.865 -13.638 1.00 0.00 C ATOM 1312 C ILE A 90 5.903 -4.377 -13.463 1.00 0.00 C ATOM 1313 O ILE A 90 5.131 -4.853 -12.648 1.00 0.00 O ATOM 1314 CB ILE A 90 6.831 -2.293 -12.456 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.926 -1.508 -11.482 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.943 -1.351 -13.003 1.00 0.00 C ATOM 1317 CD1 ILE A 90 5.606 -0.103 -12.032 1.00 0.00 C ATOM 0 H ILE A 90 4.129 -2.387 -12.778 1.00 0.00 H new ATOM 0 HA ILE A 90 6.514 -2.626 -14.578 1.00 0.00 H new ATOM 0 HB ILE A 90 7.278 -3.125 -11.913 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.999 -2.058 -11.319 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.419 -1.419 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.519 -0.946 -12.171 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.604 -1.913 -13.663 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.486 -0.533 -13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.967 0.427 -11.326 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.533 0.453 -12.171 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.091 -0.195 -12.988 1.00 0.00 H new ATOM 1329 N ASN A 91 6.663 -5.106 -14.232 1.00 0.00 N ATOM 1330 CA ASN A 91 6.614 -6.572 -14.128 1.00 0.00 C ATOM 1331 C ASN A 91 7.731 -7.116 -13.246 1.00 0.00 C ATOM 1332 O ASN A 91 8.826 -6.588 -13.224 1.00 0.00 O ATOM 1333 CB ASN A 91 6.788 -7.131 -15.534 1.00 0.00 C ATOM 1334 CG ASN A 91 8.278 -7.294 -15.830 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.958 -6.353 -16.184 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.821 -8.469 -15.697 1.00 0.00 N ATOM 0 H ASN A 91 7.314 -4.739 -14.926 1.00 0.00 H new ATOM 0 HA ASN A 91 5.665 -6.866 -13.681 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.281 -8.092 -15.621 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.331 -6.462 -16.263 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.814 -8.597 -15.890 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.253 -9.263 -15.400 1.00 0.00 H new ATOM 1343 N TYR A 92 7.425 -8.165 -12.533 1.00 0.00 N ATOM 1344 CA TYR A 92 8.443 -8.774 -11.644 1.00 0.00 C ATOM 1345 C TYR A 92 7.968 -10.139 -11.168 1.00 0.00 C ATOM 1346 O TYR A 92 6.784 -10.419 -11.172 1.00 0.00 O ATOM 1347 CB TYR A 92 8.654 -7.855 -10.426 1.00 0.00 C ATOM 1348 CG TYR A 92 9.533 -8.570 -9.382 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.773 -9.079 -9.728 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.094 -8.716 -8.082 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.554 -9.722 -8.789 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.879 -9.361 -7.142 1.00 0.00 C ATOM 1353 CZ TYR A 92 11.114 -9.866 -7.490 1.00 0.00 C ATOM 1354 OH TYR A 92 11.900 -10.508 -6.553 1.00 0.00 O ATOM 0 H TYR A 92 6.514 -8.623 -12.530 1.00 0.00 H new ATOM 0 HA TYR A 92 9.378 -8.894 -12.191 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.128 -6.924 -10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.692 -7.591 -9.986 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.132 -8.972 -10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.129 -8.324 -7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.518 -10.116 -9.074 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.522 -9.470 -6.129 1.00 0.00 H new ATOM 0 HH TYR A 92 11.437 -10.519 -5.690 1.00 0.00 H new ATOM 1364 N ARG A 93 8.892 -10.969 -10.760 1.00 0.00 N ATOM 1365 CA ARG A 93 8.492 -12.320 -10.285 1.00 0.00 C ATOM 1366 C ARG A 93 8.288 -12.356 -8.782 1.00 0.00 C ATOM 1367 O ARG A 93 9.224 -12.195 -8.022 1.00 0.00 O ATOM 1368 CB ARG A 93 9.598 -13.319 -10.659 1.00 0.00 C ATOM 1369 CG ARG A 93 9.313 -13.883 -12.055 1.00 0.00 C ATOM 1370 CD ARG A 93 10.624 -14.362 -12.678 1.00 0.00 C ATOM 1371 NE ARG A 93 11.288 -13.212 -13.351 1.00 0.00 N ATOM 1372 CZ ARG A 93 11.208 -13.097 -14.649 1.00 0.00 C ATOM 1373 NH1 ARG A 93 11.842 -13.956 -15.398 1.00 0.00 N ATOM 1374 NH2 ARG A 93 10.494 -12.127 -15.153 1.00 0.00 N ATOM 0 H ARG A 93 9.892 -10.771 -10.736 1.00 0.00 H new ATOM 0 HA ARG A 93 7.546 -12.580 -10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.570 -12.827 -10.644 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.638 -14.127 -9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.604 -14.708 -11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.855 -13.119 -12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.277 -14.777 -11.910 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.431 -15.159 -13.396 1.00 0.00 H new ATOM 0 HE ARG A 93 11.800 -12.521 -12.803 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.389 -14.702 -14.968 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.791 -13.882 -16.414 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.011 -11.475 -14.535 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.420 -12.021 -16.165 1.00 0.00 H new ATOM 1388 N THR A 94 7.049 -12.568 -8.383 1.00 0.00 N ATOM 1389 CA THR A 94 6.739 -12.624 -6.924 1.00 0.00 C ATOM 1390 C THR A 94 6.101 -13.966 -6.565 1.00 0.00 C ATOM 1391 O THR A 94 5.461 -14.526 -7.453 1.00 0.00 O ATOM 1392 CB THR A 94 5.761 -11.488 -6.578 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.453 -10.869 -7.810 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.466 -10.385 -5.754 1.00 0.00 C ATOM 1395 OXT THR A 94 6.288 -14.364 -5.427 1.00 0.00 O ATOM 0 H THR A 94 6.251 -12.703 -9.004 1.00 0.00 H new ATOM 0 HA THR A 94 7.664 -12.513 -6.358 1.00 0.00 H new ATOM 0 HB THR A 94 4.910 -11.890 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.827 -10.131 -7.658 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.754 -9.593 -5.522 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.849 -10.812 -4.827 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.293 -9.972 -6.332 1.00 0.00 H new