USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=21 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 26 THR OG1 : rot 180:sc= -0.0474 USER MOD Set 1.2: A 67 SER OG : rot -53:sc= 0.175 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -150:sc= -1.1 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00357) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -120:sc= -0.916 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -89:sc= 0.778 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.134 (180deg=-0.663) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -166:sc= -9.32! (180deg=-10.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.89) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 149 N CYS A 11 -8.248 3.596 -9.523 1.00 0.00 N ATOM 150 CA CYS A 11 -8.706 2.577 -10.453 1.00 0.00 C ATOM 151 C CYS A 11 -10.086 2.987 -10.973 1.00 0.00 C ATOM 152 O CYS A 11 -10.456 4.159 -10.907 1.00 0.00 O ATOM 153 CB CYS A 11 -8.728 1.191 -9.807 1.00 0.00 C ATOM 154 SG CYS A 11 -10.193 0.853 -8.764 1.00 0.00 S ATOM 0 HA CYS A 11 -8.011 2.505 -11.289 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -8.678 0.438 -10.594 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.831 1.075 -9.198 1.00 0.00 H new ATOM 159 N VAL A 12 -10.809 1.999 -11.476 1.00 0.00 N ATOM 160 CA VAL A 12 -12.141 2.241 -12.007 1.00 0.00 C ATOM 161 C VAL A 12 -13.181 1.910 -10.935 1.00 0.00 C ATOM 162 O VAL A 12 -13.648 2.797 -10.223 1.00 0.00 O ATOM 163 CB VAL A 12 -12.341 1.449 -13.300 1.00 0.00 C ATOM 164 CG1 VAL A 12 -13.781 1.574 -13.802 1.00 0.00 C ATOM 165 CG2 VAL A 12 -11.345 1.891 -14.374 1.00 0.00 C ATOM 0 H VAL A 12 -10.499 1.029 -11.528 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.264 3.293 -12.265 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.152 0.398 -13.082 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.896 1.002 -14.722 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.465 1.187 -13.046 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.009 2.622 -13.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.509 1.312 -15.283 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.487 2.950 -14.588 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.328 1.726 -14.017 1.00 0.00 H new ATOM 175 N SER A 13 -13.512 0.630 -10.854 1.00 0.00 N ATOM 176 CA SER A 13 -14.488 0.169 -9.881 1.00 0.00 C ATOM 177 C SER A 13 -13.791 -0.630 -8.778 1.00 0.00 C ATOM 178 O SER A 13 -12.573 -0.551 -8.626 1.00 0.00 O ATOM 179 CB SER A 13 -15.573 -0.679 -10.547 1.00 0.00 C ATOM 180 OG SER A 13 -16.874 -0.132 -10.352 1.00 0.00 O ATOM 0 H SER A 13 -13.122 -0.103 -11.446 1.00 0.00 H new ATOM 0 HA SER A 13 -14.968 1.042 -9.439 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.368 -0.756 -11.615 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.541 -1.691 -10.143 1.00 0.00 H new ATOM 0 HG SER A 13 -17.538 -0.702 -10.794 1.00 0.00 H new ATOM 186 N LEU A 14 -14.594 -1.380 -8.038 1.00 0.00 N ATOM 187 CA LEU A 14 -14.069 -2.193 -6.953 1.00 0.00 C ATOM 188 C LEU A 14 -14.134 -3.669 -7.351 1.00 0.00 C ATOM 189 O LEU A 14 -15.207 -4.268 -7.355 1.00 0.00 O ATOM 190 CB LEU A 14 -14.798 -1.876 -5.645 1.00 0.00 C ATOM 191 CG LEU A 14 -14.180 -0.772 -4.785 1.00 0.00 C ATOM 192 CD1 LEU A 14 -15.100 -0.408 -3.618 1.00 0.00 C ATOM 193 CD2 LEU A 14 -12.779 -1.163 -4.310 1.00 0.00 C ATOM 0 H LEU A 14 -15.604 -1.442 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.020 -1.957 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.823 -1.593 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.849 -2.788 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.072 0.120 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.638 0.379 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.056 -0.056 -4.005 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.262 -1.287 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.364 -0.360 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.837 -2.075 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.136 -1.333 -5.174 1.00 0.00 H new ATOM 205 N THR A 15 -12.970 -4.212 -7.675 1.00 0.00 N ATOM 206 CA THR A 15 -12.880 -5.607 -8.074 1.00 0.00 C ATOM 207 C THR A 15 -13.400 -5.789 -9.501 1.00 0.00 C ATOM 208 O THR A 15 -13.010 -5.052 -10.406 1.00 0.00 O ATOM 209 CB THR A 15 -13.637 -6.443 -7.040 1.00 0.00 C ATOM 210 OG1 THR A 15 -13.245 -5.886 -5.788 1.00 0.00 O ATOM 211 CG2 THR A 15 -13.137 -7.888 -6.977 1.00 0.00 C ATOM 0 H THR A 15 -12.081 -3.712 -7.670 1.00 0.00 H new ATOM 0 HA THR A 15 -11.845 -5.947 -8.094 1.00 0.00 H new ATOM 0 HB THR A 15 -14.701 -6.436 -7.277 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.266 -6.583 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.707 -8.438 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.266 -8.361 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 15 -12.081 -7.896 -6.707 1.00 0.00 H new ATOM 219 N THR A 16 -14.273 -6.772 -9.658 1.00 0.00 N ATOM 220 CA THR A 16 -14.850 -7.060 -10.960 1.00 0.00 C ATOM 221 C THR A 16 -13.872 -7.870 -11.811 1.00 0.00 C ATOM 222 O THR A 16 -14.009 -7.933 -13.032 1.00 0.00 O ATOM 223 CB THR A 16 -15.258 -5.731 -11.601 1.00 0.00 C ATOM 224 OG1 THR A 16 -16.479 -6.029 -12.272 1.00 0.00 O ATOM 225 CG2 THR A 16 -14.308 -5.307 -12.723 1.00 0.00 C ATOM 0 H THR A 16 -14.595 -7.380 -8.905 1.00 0.00 H new ATOM 0 HA THR A 16 -15.741 -7.681 -10.868 1.00 0.00 H new ATOM 0 HB THR A 16 -15.288 -4.953 -10.838 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.815 -5.221 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.642 -4.359 -13.144 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.301 -5.191 -12.323 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.303 -6.068 -13.503 1.00 0.00 H new ATOM 233 N GLN A 17 -12.903 -8.469 -11.133 1.00 0.00 N ATOM 234 CA GLN A 17 -11.901 -9.273 -11.811 1.00 0.00 C ATOM 235 C GLN A 17 -10.963 -9.923 -10.793 1.00 0.00 C ATOM 236 O GLN A 17 -10.184 -9.235 -10.134 1.00 0.00 O ATOM 237 CB GLN A 17 -11.117 -8.433 -12.822 1.00 0.00 C ATOM 238 CG GLN A 17 -10.644 -9.290 -13.997 1.00 0.00 C ATOM 239 CD GLN A 17 -10.130 -8.415 -15.142 1.00 0.00 C ATOM 240 OE1 GLN A 17 -9.459 -7.416 -14.941 1.00 0.00 O ATOM 241 NE2 GLN A 17 -10.482 -8.844 -16.351 1.00 0.00 N ATOM 0 H GLN A 17 -12.791 -8.413 -10.121 1.00 0.00 H new ATOM 0 HA GLN A 17 -12.410 -10.064 -12.362 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.744 -7.621 -13.189 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.258 -7.976 -12.332 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.853 -9.963 -13.666 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -11.465 -9.913 -14.351 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.045 -9.689 -16.448 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.189 -8.328 -17.181 1.00 0.00 H new ATOM 250 N ARG A 18 -11.068 -11.240 -10.695 1.00 0.00 N ATOM 251 CA ARG A 18 -10.238 -11.990 -9.768 1.00 0.00 C ATOM 252 C ARG A 18 -8.823 -12.146 -10.327 1.00 0.00 C ATOM 253 O ARG A 18 -8.487 -13.183 -10.895 1.00 0.00 O ATOM 254 CB ARG A 18 -10.828 -13.376 -9.498 1.00 0.00 C ATOM 255 CG ARG A 18 -10.818 -13.695 -8.001 1.00 0.00 C ATOM 256 CD ARG A 18 -10.552 -15.183 -7.760 1.00 0.00 C ATOM 257 NE ARG A 18 -11.069 -15.579 -6.432 1.00 0.00 N ATOM 258 CZ ARG A 18 -11.186 -16.849 -6.019 1.00 0.00 C ATOM 259 NH1 ARG A 18 -10.821 -17.852 -6.829 1.00 0.00 N ATOM 260 NH2 ARG A 18 -11.665 -17.116 -4.797 1.00 0.00 N ATOM 0 H ARG A 18 -11.715 -11.807 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.202 -11.434 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.849 -13.420 -9.876 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.256 -14.130 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.052 -13.100 -7.504 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.775 -13.417 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.031 -15.777 -8.538 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.482 -15.384 -7.818 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.354 -14.839 -5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.454 -17.649 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.910 -18.819 -6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.941 -16.353 -4.179 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.754 -18.083 -4.484 1.00 0.00 H new ATOM 274 N LEU A 19 -8.032 -11.098 -10.148 1.00 0.00 N ATOM 275 CA LEU A 19 -6.660 -11.106 -10.629 1.00 0.00 C ATOM 276 C LEU A 19 -5.821 -12.034 -9.749 1.00 0.00 C ATOM 277 O LEU A 19 -5.948 -12.017 -8.526 1.00 0.00 O ATOM 278 CB LEU A 19 -6.115 -9.679 -10.713 1.00 0.00 C ATOM 279 CG LEU A 19 -5.958 -9.102 -12.122 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.208 -8.323 -12.537 1.00 0.00 C ATOM 281 CD2 LEU A 19 -4.690 -8.253 -12.230 1.00 0.00 C ATOM 0 H LEU A 19 -8.314 -10.238 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.614 -11.501 -11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.777 -9.025 -10.146 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.143 -9.653 -10.221 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.849 -9.931 -12.821 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.071 -7.923 -13.542 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.072 -8.988 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.373 -7.502 -11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.603 -7.856 -13.241 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.743 -7.428 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.819 -8.869 -12.007 1.00 0.00 H new ATOM 293 N PRO A 20 -4.960 -12.842 -10.424 1.00 0.00 N ATOM 294 CA PRO A 20 -4.100 -13.776 -9.716 1.00 0.00 C ATOM 295 C PRO A 20 -2.939 -13.045 -9.038 1.00 0.00 C ATOM 296 O PRO A 20 -2.304 -12.184 -9.645 1.00 0.00 O ATOM 297 CB PRO A 20 -3.643 -14.768 -10.773 1.00 0.00 C ATOM 298 CG PRO A 20 -3.884 -14.090 -12.112 1.00 0.00 C ATOM 299 CD PRO A 20 -4.784 -12.889 -11.872 1.00 0.00 C ATOM 0 HA PRO A 20 -4.614 -14.290 -8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -2.590 -15.017 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.202 -15.701 -10.701 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.939 -13.776 -12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.351 -14.783 -12.812 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.329 -11.972 -12.246 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.740 -13.002 -12.384 1.00 0.00 H new ATOM 307 N VAL A 21 -2.695 -13.417 -7.790 1.00 0.00 N ATOM 308 CA VAL A 21 -1.622 -12.808 -7.024 1.00 0.00 C ATOM 309 C VAL A 21 -0.327 -12.863 -7.837 1.00 0.00 C ATOM 310 O VAL A 21 0.475 -11.931 -7.796 1.00 0.00 O ATOM 311 CB VAL A 21 -1.500 -13.491 -5.660 1.00 0.00 C ATOM 312 CG1 VAL A 21 -0.544 -14.683 -5.727 1.00 0.00 C ATOM 313 CG2 VAL A 21 -1.061 -12.494 -4.585 1.00 0.00 C ATOM 0 H VAL A 21 -3.222 -14.133 -7.290 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.840 -11.758 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.485 -13.868 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.476 -15.150 -4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.918 -15.409 -6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.444 -14.340 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.982 -13.005 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.092 -12.073 -4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.796 -11.693 -4.510 1.00 0.00 H new ATOM 323 N SER A 22 -0.163 -13.963 -8.556 1.00 0.00 N ATOM 324 CA SER A 22 1.021 -14.151 -9.377 1.00 0.00 C ATOM 325 C SER A 22 1.159 -12.994 -10.369 1.00 0.00 C ATOM 326 O SER A 22 2.269 -12.636 -10.760 1.00 0.00 O ATOM 327 CB SER A 22 0.967 -15.486 -10.123 1.00 0.00 C ATOM 328 OG SER A 22 2.225 -16.155 -10.111 1.00 0.00 O ATOM 0 H SER A 22 -0.830 -14.734 -8.587 1.00 0.00 H new ATOM 0 HA SER A 22 1.893 -14.166 -8.723 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.212 -16.126 -9.667 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.658 -15.313 -11.154 1.00 0.00 H new ATOM 0 HG SER A 22 2.149 -17.003 -10.596 1.00 0.00 H new ATOM 334 N ARG A 23 0.016 -12.442 -10.748 1.00 0.00 N ATOM 335 CA ARG A 23 -0.004 -11.332 -11.685 1.00 0.00 C ATOM 336 C ARG A 23 0.122 -10.002 -10.939 1.00 0.00 C ATOM 337 O ARG A 23 0.485 -8.987 -11.529 1.00 0.00 O ATOM 338 CB ARG A 23 -1.295 -11.328 -12.506 1.00 0.00 C ATOM 339 CG ARG A 23 -1.004 -11.570 -13.988 1.00 0.00 C ATOM 340 CD ARG A 23 -0.586 -13.022 -14.236 1.00 0.00 C ATOM 341 NE ARG A 23 -1.104 -13.482 -15.543 1.00 0.00 N ATOM 342 CZ ARG A 23 -0.702 -14.602 -16.158 1.00 0.00 C ATOM 343 NH1 ARG A 23 0.226 -15.383 -15.588 1.00 0.00 N ATOM 344 NH2 ARG A 23 -1.226 -14.942 -17.343 1.00 0.00 N ATOM 0 H ARG A 23 -0.903 -12.743 -10.423 1.00 0.00 H new ATOM 0 HA ARG A 23 0.843 -11.454 -12.360 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.969 -12.099 -12.134 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.805 -10.373 -12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.890 -11.337 -14.579 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.213 -10.898 -14.321 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.501 -13.104 -14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.968 -13.660 -13.439 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.812 -12.911 -16.005 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.626 -15.125 -14.686 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.532 -16.236 -16.056 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.932 -14.348 -17.778 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.919 -15.795 -17.810 1.00 0.00 H new ATOM 358 N ILE A 24 -0.185 -10.052 -9.651 1.00 0.00 N ATOM 359 CA ILE A 24 -0.111 -8.865 -8.817 1.00 0.00 C ATOM 360 C ILE A 24 1.252 -8.816 -8.127 1.00 0.00 C ATOM 361 O ILE A 24 1.852 -9.855 -7.854 1.00 0.00 O ATOM 362 CB ILE A 24 -1.293 -8.817 -7.848 1.00 0.00 C ATOM 363 CG1 ILE A 24 -2.599 -9.187 -8.554 1.00 0.00 C ATOM 364 CG2 ILE A 24 -1.381 -7.454 -7.157 1.00 0.00 C ATOM 365 CD1 ILE A 24 -3.696 -9.523 -7.542 1.00 0.00 C ATOM 0 H ILE A 24 -0.486 -10.897 -9.165 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.192 -7.965 -9.427 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.126 -9.563 -7.071 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.923 -8.359 -9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.432 -10.041 -9.211 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.230 -7.447 -6.473 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.464 -7.269 -6.598 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.512 -6.674 -7.907 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.613 -9.782 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.380 -10.367 -6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.878 -8.659 -6.903 1.00 0.00 H new ATOM 377 N LYS A 25 1.704 -7.599 -7.865 1.00 0.00 N ATOM 378 CA LYS A 25 2.987 -7.401 -7.212 1.00 0.00 C ATOM 379 C LYS A 25 2.755 -6.942 -5.770 1.00 0.00 C ATOM 380 O LYS A 25 2.886 -7.730 -4.835 1.00 0.00 O ATOM 381 CB LYS A 25 3.862 -6.446 -8.027 1.00 0.00 C ATOM 382 CG LYS A 25 5.317 -6.501 -7.558 1.00 0.00 C ATOM 383 CD LYS A 25 6.256 -6.825 -8.721 1.00 0.00 C ATOM 384 CE LYS A 25 7.058 -5.591 -9.140 1.00 0.00 C ATOM 385 NZ LYS A 25 7.692 -5.806 -10.459 1.00 0.00 N ATOM 0 H LYS A 25 1.205 -6.739 -8.093 1.00 0.00 H new ATOM 0 HA LYS A 25 3.539 -8.340 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.807 -6.708 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.483 -5.428 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.597 -5.545 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.423 -7.256 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.938 -7.624 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.677 -7.192 -9.569 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.402 -4.722 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.823 -5.377 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.259 -4.972 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.307 -6.643 -10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.955 -5.954 -11.178 1.00 0.00 H new ATOM 399 N THR A 26 2.414 -5.669 -5.636 1.00 0.00 N ATOM 400 CA THR A 26 2.163 -5.096 -4.324 1.00 0.00 C ATOM 401 C THR A 26 0.715 -4.611 -4.223 1.00 0.00 C ATOM 402 O THR A 26 -0.013 -4.607 -5.214 1.00 0.00 O ATOM 403 CB THR A 26 3.192 -3.990 -4.086 1.00 0.00 C ATOM 404 OG1 THR A 26 3.120 -3.744 -2.685 1.00 0.00 O ATOM 405 CG2 THR A 26 2.779 -2.659 -4.719 1.00 0.00 C ATOM 0 H THR A 26 2.306 -5.018 -6.414 1.00 0.00 H new ATOM 0 HA THR A 26 2.279 -5.842 -3.538 1.00 0.00 H new ATOM 0 HB THR A 26 4.156 -4.300 -4.488 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.757 -3.040 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.544 -1.909 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.668 -2.787 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.831 -2.332 -4.293 1.00 0.00 H new ATOM 413 N TYR A 27 0.341 -4.213 -3.016 1.00 0.00 N ATOM 414 CA TYR A 27 -1.007 -3.727 -2.772 1.00 0.00 C ATOM 415 C TYR A 27 -1.002 -2.590 -1.749 1.00 0.00 C ATOM 416 O TYR A 27 -0.089 -2.488 -0.931 1.00 0.00 O ATOM 417 CB TYR A 27 -1.784 -4.912 -2.195 1.00 0.00 C ATOM 418 CG TYR A 27 -1.181 -5.486 -0.911 1.00 0.00 C ATOM 419 CD1 TYR A 27 0.005 -6.190 -0.961 1.00 0.00 C ATOM 420 CD2 TYR A 27 -1.825 -5.300 0.296 1.00 0.00 C ATOM 421 CE1 TYR A 27 0.572 -6.731 0.247 1.00 0.00 C ATOM 422 CE2 TYR A 27 -1.258 -5.842 1.504 1.00 0.00 C ATOM 423 CZ TYR A 27 -0.087 -6.530 1.420 1.00 0.00 C ATOM 424 OH TYR A 27 0.448 -7.040 2.561 1.00 0.00 O ATOM 0 H TYR A 27 0.948 -4.217 -2.196 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.450 -3.344 -3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.808 -4.598 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.833 -5.701 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.508 -6.335 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -2.753 -4.749 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.499 -7.284 0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.751 -5.705 2.455 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.130 -6.818 3.321 1.00 0.00 H new ATOM 434 N THR A 28 -2.033 -1.762 -1.828 1.00 0.00 N ATOM 435 CA THR A 28 -2.161 -0.635 -0.919 1.00 0.00 C ATOM 436 C THR A 28 -3.578 -0.566 -0.349 1.00 0.00 C ATOM 437 O THR A 28 -4.554 -0.591 -1.097 1.00 0.00 O ATOM 438 CB THR A 28 -1.747 0.630 -1.674 1.00 0.00 C ATOM 439 OG1 THR A 28 -0.463 0.948 -1.143 1.00 0.00 O ATOM 440 CG2 THR A 28 -2.611 1.839 -1.308 1.00 0.00 C ATOM 0 H THR A 28 -2.788 -1.849 -2.508 1.00 0.00 H new ATOM 0 HA THR A 28 -1.504 -0.747 -0.056 1.00 0.00 H new ATOM 0 HB THR A 28 -1.811 0.449 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.120 1.756 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.276 2.710 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.653 1.629 -1.551 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.521 2.041 -0.241 1.00 0.00 H new ATOM 448 N ILE A 29 -3.647 -0.481 0.972 1.00 0.00 N ATOM 449 CA ILE A 29 -4.929 -0.409 1.651 1.00 0.00 C ATOM 450 C ILE A 29 -5.061 0.950 2.340 1.00 0.00 C ATOM 451 O ILE A 29 -4.120 1.422 2.977 1.00 0.00 O ATOM 452 CB ILE A 29 -5.101 -1.598 2.598 1.00 0.00 C ATOM 453 CG1 ILE A 29 -5.160 -2.914 1.822 1.00 0.00 C ATOM 454 CG2 ILE A 29 -6.323 -1.409 3.500 1.00 0.00 C ATOM 455 CD1 ILE A 29 -5.282 -4.108 2.773 1.00 0.00 C ATOM 0 H ILE A 29 -2.835 -0.460 1.590 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.745 -0.483 0.932 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.226 -1.646 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.010 -2.900 1.140 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.263 -3.021 1.212 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.422 -2.268 4.163 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.200 -0.504 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.219 -1.320 2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.322 -5.031 2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.419 -4.133 3.438 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.192 -4.011 3.364 1.00 0.00 H new ATOM 467 N THR A 30 -6.236 1.543 2.189 1.00 0.00 N ATOM 468 CA THR A 30 -6.503 2.840 2.790 1.00 0.00 C ATOM 469 C THR A 30 -7.486 2.696 3.954 1.00 0.00 C ATOM 470 O THR A 30 -8.127 1.658 4.105 1.00 0.00 O ATOM 471 CB THR A 30 -6.999 3.778 1.688 1.00 0.00 C ATOM 472 OG1 THR A 30 -8.153 3.123 1.168 1.00 0.00 O ATOM 473 CG2 THR A 30 -6.041 3.841 0.497 1.00 0.00 C ATOM 0 H THR A 30 -7.014 1.150 1.659 1.00 0.00 H new ATOM 0 HA THR A 30 -5.599 3.270 3.221 1.00 0.00 H new ATOM 0 HB THR A 30 -7.136 4.779 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.021 2.936 0.215 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.441 4.520 -0.256 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.068 4.201 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.931 2.846 0.066 1.00 0.00 H new ATOM 481 N GLU A 31 -7.572 3.754 4.746 1.00 0.00 N ATOM 482 CA GLU A 31 -8.465 3.760 5.893 1.00 0.00 C ATOM 483 C GLU A 31 -9.508 4.869 5.747 1.00 0.00 C ATOM 484 O GLU A 31 -10.560 4.827 6.385 1.00 0.00 O ATOM 485 CB GLU A 31 -7.682 3.911 7.197 1.00 0.00 C ATOM 486 CG GLU A 31 -7.793 2.648 8.053 1.00 0.00 C ATOM 487 CD GLU A 31 -8.903 2.788 9.097 1.00 0.00 C ATOM 488 OE1 GLU A 31 -8.789 3.716 9.927 1.00 0.00 O ATOM 489 OE2 GLU A 31 -9.841 1.963 9.041 1.00 0.00 O ATOM 0 H GLU A 31 -7.038 4.613 4.617 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.984 2.802 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.634 4.113 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.060 4.767 7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.996 1.788 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.842 2.457 8.551 1.00 0.00 H new ATOM 496 N GLY A 32 -9.183 5.837 4.903 1.00 0.00 N ATOM 497 CA GLY A 32 -10.078 6.957 4.665 1.00 0.00 C ATOM 498 C GLY A 32 -11.351 6.498 3.951 1.00 0.00 C ATOM 499 O GLY A 32 -11.585 5.300 3.799 1.00 0.00 O ATOM 0 H GLY A 32 -8.311 5.869 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.338 7.428 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.571 7.711 4.063 1.00 0.00 H new ATOM 503 N SER A 33 -12.142 7.476 3.533 1.00 0.00 N ATOM 504 CA SER A 33 -13.384 7.187 2.838 1.00 0.00 C ATOM 505 C SER A 33 -13.163 6.079 1.806 1.00 0.00 C ATOM 506 O SER A 33 -14.091 5.347 1.468 1.00 0.00 O ATOM 507 CB SER A 33 -13.940 8.441 2.160 1.00 0.00 C ATOM 508 OG SER A 33 -14.900 9.109 2.974 1.00 0.00 O ATOM 0 H SER A 33 -11.946 8.469 3.663 1.00 0.00 H new ATOM 0 HA SER A 33 -14.115 6.849 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.121 9.123 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.399 8.166 1.210 1.00 0.00 H new ATOM 0 HG SER A 33 -15.229 9.905 2.506 1.00 0.00 H new ATOM 514 N LEU A 34 -11.928 5.992 1.335 1.00 0.00 N ATOM 515 CA LEU A 34 -11.573 4.985 0.350 1.00 0.00 C ATOM 516 C LEU A 34 -11.737 3.595 0.965 1.00 0.00 C ATOM 517 O LEU A 34 -12.513 2.780 0.468 1.00 0.00 O ATOM 518 CB LEU A 34 -10.172 5.250 -0.206 1.00 0.00 C ATOM 519 CG LEU A 34 -10.085 5.503 -1.713 1.00 0.00 C ATOM 520 CD1 LEU A 34 -8.657 5.865 -2.126 1.00 0.00 C ATOM 521 CD2 LEU A 34 -10.625 4.308 -2.501 1.00 0.00 C ATOM 0 H LEU A 34 -11.161 6.602 1.617 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.246 5.036 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.754 6.113 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.539 4.396 0.036 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.716 6.359 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.622 6.040 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.344 6.768 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.985 5.046 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.552 4.513 -3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.040 3.420 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.668 4.138 -2.235 1.00 0.00 H new ATOM 533 N ARG A 35 -10.993 3.365 2.037 1.00 0.00 N ATOM 534 CA ARG A 35 -11.047 2.087 2.725 1.00 0.00 C ATOM 535 C ARG A 35 -11.201 0.947 1.716 1.00 0.00 C ATOM 536 O ARG A 35 -12.131 0.147 1.816 1.00 0.00 O ATOM 537 CB ARG A 35 -12.212 2.043 3.716 1.00 0.00 C ATOM 538 CG ARG A 35 -11.930 1.057 4.851 1.00 0.00 C ATOM 539 CD ARG A 35 -11.897 1.773 6.203 1.00 0.00 C ATOM 540 NE ARG A 35 -11.799 0.782 7.299 1.00 0.00 N ATOM 541 CZ ARG A 35 -12.848 0.126 7.814 1.00 0.00 C ATOM 542 NH1 ARG A 35 -14.080 0.350 7.336 1.00 0.00 N ATOM 543 NH2 ARG A 35 -12.665 -0.756 8.805 1.00 0.00 N ATOM 0 H ARG A 35 -10.349 4.043 2.446 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.113 1.967 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.382 3.038 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.125 1.753 3.196 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.697 0.283 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.977 0.558 4.676 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.048 2.455 6.242 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.797 2.376 6.326 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.876 0.587 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.220 1.020 6.580 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.878 -0.150 7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.727 -0.928 9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.463 -1.255 9.197 1.00 0.00 H new ATOM 557 N ALA A 36 -10.276 0.909 0.769 1.00 0.00 N ATOM 558 CA ALA A 36 -10.297 -0.119 -0.257 1.00 0.00 C ATOM 559 C ALA A 36 -8.889 -0.695 -0.425 1.00 0.00 C ATOM 560 O ALA A 36 -7.903 -0.037 -0.098 1.00 0.00 O ATOM 561 CB ALA A 36 -10.846 0.468 -1.559 1.00 0.00 C ATOM 0 H ALA A 36 -9.507 1.574 0.691 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.956 -0.937 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.861 -0.304 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.859 0.836 -1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.210 1.291 -1.884 1.00 0.00 H new ATOM 567 N VAL A 37 -8.841 -1.917 -0.936 1.00 0.00 N ATOM 568 CA VAL A 37 -7.570 -2.587 -1.151 1.00 0.00 C ATOM 569 C VAL A 37 -7.138 -2.396 -2.607 1.00 0.00 C ATOM 570 O VAL A 37 -7.826 -2.835 -3.526 1.00 0.00 O ATOM 571 CB VAL A 37 -7.682 -4.060 -0.750 1.00 0.00 C ATOM 572 CG1 VAL A 37 -8.392 -4.209 0.597 1.00 0.00 C ATOM 573 CG2 VAL A 37 -8.389 -4.872 -1.837 1.00 0.00 C ATOM 0 H VAL A 37 -9.661 -2.460 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.795 -2.149 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.672 -4.456 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.458 -5.265 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.829 -3.680 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.395 -3.789 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -8.455 -5.915 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.392 -4.475 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.824 -4.805 -2.767 1.00 0.00 H new ATOM 583 N ILE A 38 -5.999 -1.738 -2.770 1.00 0.00 N ATOM 584 CA ILE A 38 -5.466 -1.483 -4.097 1.00 0.00 C ATOM 585 C ILE A 38 -4.421 -2.547 -4.436 1.00 0.00 C ATOM 586 O ILE A 38 -3.515 -2.807 -3.646 1.00 0.00 O ATOM 587 CB ILE A 38 -4.940 -0.049 -4.196 1.00 0.00 C ATOM 588 CG1 ILE A 38 -6.049 0.964 -3.906 1.00 0.00 C ATOM 589 CG2 ILE A 38 -4.277 0.199 -5.553 1.00 0.00 C ATOM 590 CD1 ILE A 38 -7.050 1.028 -5.063 1.00 0.00 C ATOM 0 H ILE A 38 -5.431 -1.374 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.254 -1.561 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.173 0.087 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.567 0.689 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.613 1.949 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.912 1.225 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.442 -0.489 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.005 0.038 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.828 1.756 -4.831 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.533 1.327 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.502 0.047 -5.208 1.00 0.00 H new ATOM 602 N PHE A 39 -4.580 -3.133 -5.613 1.00 0.00 N ATOM 603 CA PHE A 39 -3.661 -4.163 -6.067 1.00 0.00 C ATOM 604 C PHE A 39 -2.791 -3.653 -7.218 1.00 0.00 C ATOM 605 O PHE A 39 -3.304 -3.281 -8.271 1.00 0.00 O ATOM 606 CB PHE A 39 -4.511 -5.333 -6.566 1.00 0.00 C ATOM 607 CG PHE A 39 -5.179 -6.138 -5.449 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.417 -6.797 -4.537 1.00 0.00 C ATOM 609 CD2 PHE A 39 -6.536 -6.194 -5.369 1.00 0.00 C ATOM 610 CE1 PHE A 39 -5.037 -7.544 -3.500 1.00 0.00 C ATOM 611 CE2 PHE A 39 -7.157 -6.940 -4.333 1.00 0.00 C ATOM 612 CZ PHE A 39 -6.393 -7.599 -3.420 1.00 0.00 C ATOM 0 H PHE A 39 -5.332 -2.914 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.001 -4.458 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.282 -4.950 -7.234 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.882 -6.001 -7.155 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.340 -6.753 -4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.141 -5.671 -6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.431 -8.068 -2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.234 -6.984 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.864 -8.166 -2.631 1.00 0.00 H new ATOM 622 N ILE A 40 -1.488 -3.654 -6.976 1.00 0.00 N ATOM 623 CA ILE A 40 -0.541 -3.196 -7.979 1.00 0.00 C ATOM 624 C ILE A 40 0.141 -4.406 -8.620 1.00 0.00 C ATOM 625 O ILE A 40 0.683 -5.261 -7.921 1.00 0.00 O ATOM 626 CB ILE A 40 0.438 -2.188 -7.371 1.00 0.00 C ATOM 627 CG1 ILE A 40 -0.281 -1.233 -6.418 1.00 0.00 C ATOM 628 CG2 ILE A 40 1.202 -1.440 -8.465 1.00 0.00 C ATOM 629 CD1 ILE A 40 0.668 -0.145 -5.912 1.00 0.00 C ATOM 0 H ILE A 40 -1.066 -3.964 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.058 -2.662 -8.776 1.00 0.00 H new ATOM 0 HB ILE A 40 1.173 -2.736 -6.782 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.128 -0.774 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.683 -1.792 -5.573 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.891 -0.730 -8.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.764 -2.153 -9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.497 -0.903 -9.100 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.131 0.521 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.501 -0.607 -5.381 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.049 0.427 -6.758 1.00 0.00 H new ATOM 641 N THR A 41 0.092 -4.440 -9.943 1.00 0.00 N ATOM 642 CA THR A 41 0.699 -5.531 -10.687 1.00 0.00 C ATOM 643 C THR A 41 2.090 -5.131 -11.182 1.00 0.00 C ATOM 644 O THR A 41 2.438 -3.952 -11.180 1.00 0.00 O ATOM 645 CB THR A 41 -0.258 -5.925 -11.815 1.00 0.00 C ATOM 646 OG1 THR A 41 -0.769 -4.680 -12.286 1.00 0.00 O ATOM 647 CG2 THR A 41 -1.494 -6.665 -11.302 1.00 0.00 C ATOM 0 H THR A 41 -0.359 -3.730 -10.520 1.00 0.00 H new ATOM 0 HA THR A 41 0.853 -6.404 -10.053 1.00 0.00 H new ATOM 0 HB THR A 41 0.267 -6.552 -12.535 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.568 -4.439 -11.773 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.139 -6.921 -12.142 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.186 -7.576 -10.790 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.039 -6.025 -10.608 1.00 0.00 H new ATOM 655 N LYS A 42 2.848 -6.136 -11.594 1.00 0.00 N ATOM 656 CA LYS A 42 4.195 -5.904 -12.090 1.00 0.00 C ATOM 657 C LYS A 42 4.131 -4.986 -13.313 1.00 0.00 C ATOM 658 O LYS A 42 5.060 -4.223 -13.570 1.00 0.00 O ATOM 659 CB LYS A 42 4.905 -7.233 -12.354 1.00 0.00 C ATOM 660 CG LYS A 42 4.050 -8.147 -13.234 1.00 0.00 C ATOM 661 CD LYS A 42 4.039 -9.577 -12.693 1.00 0.00 C ATOM 662 CE LYS A 42 3.485 -9.619 -11.268 1.00 0.00 C ATOM 663 NZ LYS A 42 4.324 -10.487 -10.411 1.00 0.00 N ATOM 0 H LYS A 42 2.556 -7.113 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 42 4.796 -5.393 -11.338 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.863 -7.047 -12.840 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.118 -7.730 -11.407 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.031 -7.764 -13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.438 -8.143 -14.253 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.433 -10.210 -13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.051 -9.982 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.453 -8.611 -10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.461 -9.991 -11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.317 -10.124 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.946 -11.456 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.299 -10.492 -10.772 1.00 0.00 H new ATOM 677 N ARG A 43 3.024 -5.092 -14.035 1.00 0.00 N ATOM 678 CA ARG A 43 2.828 -4.282 -15.225 1.00 0.00 C ATOM 679 C ARG A 43 2.677 -2.807 -14.844 1.00 0.00 C ATOM 680 O ARG A 43 2.881 -1.924 -15.676 1.00 0.00 O ATOM 681 CB ARG A 43 1.586 -4.731 -15.998 1.00 0.00 C ATOM 682 CG ARG A 43 1.903 -4.918 -17.483 1.00 0.00 C ATOM 683 CD ARG A 43 1.118 -3.923 -18.340 1.00 0.00 C ATOM 684 NE ARG A 43 2.035 -3.219 -19.265 1.00 0.00 N ATOM 685 CZ ARG A 43 1.736 -2.073 -19.892 1.00 0.00 C ATOM 686 NH1 ARG A 43 0.543 -1.495 -19.698 1.00 0.00 N ATOM 687 NH2 ARG A 43 2.630 -1.506 -20.712 1.00 0.00 N ATOM 0 H ARG A 43 2.255 -5.726 -13.819 1.00 0.00 H new ATOM 0 HA ARG A 43 3.704 -4.409 -15.861 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.212 -5.666 -15.582 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.794 -3.991 -15.882 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.972 -4.784 -17.650 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.659 -5.936 -17.785 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.348 -4.446 -18.906 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.609 -3.202 -17.701 1.00 0.00 H new ATOM 0 HE ARG A 43 2.952 -3.632 -19.436 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.138 -1.927 -19.073 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.315 -0.623 -20.175 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.538 -1.946 -20.859 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.403 -0.634 -21.189 1.00 0.00 H new ATOM 701 N GLY A 44 2.322 -2.587 -13.586 1.00 0.00 N ATOM 702 CA GLY A 44 2.142 -1.235 -13.085 1.00 0.00 C ATOM 703 C GLY A 44 0.659 -0.861 -13.039 1.00 0.00 C ATOM 704 O GLY A 44 0.308 0.250 -12.643 1.00 0.00 O ATOM 0 H GLY A 44 2.154 -3.322 -12.899 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.573 -1.153 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.678 -0.532 -13.723 1.00 0.00 H new ATOM 708 N LEU A 45 -0.171 -1.809 -13.447 1.00 0.00 N ATOM 709 CA LEU A 45 -1.608 -1.592 -13.456 1.00 0.00 C ATOM 710 C LEU A 45 -2.157 -1.780 -12.041 1.00 0.00 C ATOM 711 O LEU A 45 -2.153 -2.891 -11.512 1.00 0.00 O ATOM 712 CB LEU A 45 -2.278 -2.489 -14.500 1.00 0.00 C ATOM 713 CG LEU A 45 -2.678 -1.809 -15.811 1.00 0.00 C ATOM 714 CD1 LEU A 45 -1.834 -2.329 -16.977 1.00 0.00 C ATOM 715 CD2 LEU A 45 -4.177 -1.963 -16.073 1.00 0.00 C ATOM 0 H LEU A 45 0.124 -2.729 -13.774 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.837 -0.569 -13.753 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.601 -3.311 -14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.171 -2.928 -14.054 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.476 -0.742 -15.719 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.138 -1.830 -17.897 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.781 -2.124 -16.784 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.981 -3.404 -17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.435 -1.471 -17.011 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.428 -3.022 -16.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.738 -1.506 -15.257 1.00 0.00 H new ATOM 727 N LYS A 46 -2.615 -0.678 -11.467 1.00 0.00 N ATOM 728 CA LYS A 46 -3.166 -0.707 -10.123 1.00 0.00 C ATOM 729 C LYS A 46 -4.693 -0.658 -10.201 1.00 0.00 C ATOM 730 O LYS A 46 -5.254 0.105 -10.985 1.00 0.00 O ATOM 731 CB LYS A 46 -2.559 0.409 -9.270 1.00 0.00 C ATOM 732 CG LYS A 46 -3.353 1.707 -9.418 1.00 0.00 C ATOM 733 CD LYS A 46 -2.572 2.897 -8.857 1.00 0.00 C ATOM 734 CE LYS A 46 -2.409 2.777 -7.339 1.00 0.00 C ATOM 735 NZ LYS A 46 -2.267 4.117 -6.727 1.00 0.00 N ATOM 0 H LYS A 46 -2.616 0.242 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.901 -1.639 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.545 0.105 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.524 0.576 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.580 1.880 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.306 1.615 -8.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.591 2.948 -9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.091 3.824 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.273 2.266 -6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.534 2.170 -7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.157 4.019 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.429 4.591 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.114 4.684 -6.932 1.00 0.00 H new ATOM 749 N VAL A 47 -5.323 -1.483 -9.377 1.00 0.00 N ATOM 750 CA VAL A 47 -6.774 -1.544 -9.344 1.00 0.00 C ATOM 751 C VAL A 47 -7.250 -1.465 -7.892 1.00 0.00 C ATOM 752 O VAL A 47 -6.437 -1.432 -6.969 1.00 0.00 O ATOM 753 CB VAL A 47 -7.261 -2.801 -10.065 1.00 0.00 C ATOM 754 CG1 VAL A 47 -7.405 -3.972 -9.090 1.00 0.00 C ATOM 755 CG2 VAL A 47 -8.577 -2.536 -10.800 1.00 0.00 C ATOM 0 H VAL A 47 -4.855 -2.115 -8.727 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.204 -0.694 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.511 -3.073 -10.807 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.753 -4.853 -9.629 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.439 -4.185 -8.631 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.126 -3.713 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.902 -3.446 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.338 -2.227 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.430 -1.746 -11.536 1.00 0.00 H new ATOM 765 N CYS A 48 -8.565 -1.438 -7.734 1.00 0.00 N ATOM 766 CA CYS A 48 -9.159 -1.364 -6.410 1.00 0.00 C ATOM 767 C CYS A 48 -10.021 -2.610 -6.199 1.00 0.00 C ATOM 768 O CYS A 48 -10.499 -3.208 -7.161 1.00 0.00 O ATOM 769 CB CYS A 48 -9.963 -0.076 -6.221 1.00 0.00 C ATOM 770 SG CYS A 48 -9.275 1.390 -7.075 1.00 0.00 S ATOM 0 H CYS A 48 -9.236 -1.466 -8.501 1.00 0.00 H new ATOM 0 HA CYS A 48 -8.371 -1.337 -5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.979 -0.243 -6.578 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.031 0.140 -5.155 1.00 0.00 H new ATOM 775 N ALA A 49 -10.193 -2.965 -4.934 1.00 0.00 N ATOM 776 CA ALA A 49 -10.990 -4.129 -4.586 1.00 0.00 C ATOM 777 C ALA A 49 -11.569 -3.943 -3.182 1.00 0.00 C ATOM 778 O ALA A 49 -11.007 -3.214 -2.366 1.00 0.00 O ATOM 779 CB ALA A 49 -10.129 -5.389 -4.698 1.00 0.00 C ATOM 0 H ALA A 49 -9.794 -2.467 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.826 -4.242 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.727 -6.262 -4.437 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.765 -5.491 -5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.282 -5.312 -4.017 1.00 0.00 H new ATOM 785 N ASP A 50 -12.686 -4.615 -2.943 1.00 0.00 N ATOM 786 CA ASP A 50 -13.347 -4.533 -1.653 1.00 0.00 C ATOM 787 C ASP A 50 -12.712 -5.541 -0.693 1.00 0.00 C ATOM 788 O ASP A 50 -12.576 -6.718 -1.024 1.00 0.00 O ATOM 789 CB ASP A 50 -14.835 -4.870 -1.774 1.00 0.00 C ATOM 790 CG ASP A 50 -15.775 -3.663 -1.760 1.00 0.00 C ATOM 791 OD1 ASP A 50 -15.290 -2.570 -1.394 1.00 0.00 O ATOM 792 OD2 ASP A 50 -16.957 -3.858 -2.116 1.00 0.00 O ATOM 0 H ASP A 50 -13.149 -5.219 -3.622 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.236 -3.514 -1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.993 -5.423 -2.700 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.109 -5.535 -0.955 1.00 0.00 H new ATOM 797 N PRO A 51 -12.329 -5.029 0.507 1.00 0.00 N ATOM 798 CA PRO A 51 -11.710 -5.871 1.517 1.00 0.00 C ATOM 799 C PRO A 51 -12.748 -6.770 2.192 1.00 0.00 C ATOM 800 O PRO A 51 -12.416 -7.543 3.090 1.00 0.00 O ATOM 801 CB PRO A 51 -11.045 -4.904 2.482 1.00 0.00 C ATOM 802 CG PRO A 51 -11.702 -3.555 2.241 1.00 0.00 C ATOM 803 CD PRO A 51 -12.474 -3.641 0.934 1.00 0.00 C ATOM 0 HA PRO A 51 -10.978 -6.561 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.182 -5.226 3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.971 -4.852 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.371 -3.303 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.950 -2.768 2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.522 -3.378 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.071 -2.954 0.190 1.00 0.00 H new ATOM 811 N GLN A 52 -13.985 -6.640 1.733 1.00 0.00 N ATOM 812 CA GLN A 52 -15.073 -7.431 2.282 1.00 0.00 C ATOM 813 C GLN A 52 -15.089 -8.824 1.648 1.00 0.00 C ATOM 814 O GLN A 52 -15.791 -9.716 2.120 1.00 0.00 O ATOM 815 CB GLN A 52 -16.416 -6.724 2.087 1.00 0.00 C ATOM 816 CG GLN A 52 -17.568 -7.581 2.618 1.00 0.00 C ATOM 817 CD GLN A 52 -18.361 -8.207 1.468 1.00 0.00 C ATOM 818 OE1 GLN A 52 -18.020 -8.078 0.303 1.00 0.00 O ATOM 819 NE2 GLN A 52 -19.433 -8.889 1.858 1.00 0.00 N ATOM 0 H GLN A 52 -14.257 -5.999 0.988 1.00 0.00 H new ATOM 0 HA GLN A 52 -14.911 -7.543 3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -16.404 -5.764 2.603 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -16.571 -6.515 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -17.174 -8.367 3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.230 -6.968 3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -19.661 -8.957 2.850 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -20.028 -9.344 1.165 1.00 0.00 H new ATOM 828 N ALA A 53 -14.308 -8.965 0.588 1.00 0.00 N ATOM 829 CA ALA A 53 -14.223 -10.234 -0.116 1.00 0.00 C ATOM 830 C ALA A 53 -13.177 -11.120 0.564 1.00 0.00 C ATOM 831 O ALA A 53 -12.092 -10.653 0.909 1.00 0.00 O ATOM 832 CB ALA A 53 -13.904 -9.980 -1.590 1.00 0.00 C ATOM 0 H ALA A 53 -13.728 -8.222 0.199 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.177 -10.760 -0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.840 -10.932 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.692 -9.371 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.952 -9.456 -1.671 1.00 0.00 H new ATOM 838 N THR A 54 -13.539 -12.383 0.736 1.00 0.00 N ATOM 839 CA THR A 54 -12.646 -13.338 1.368 1.00 0.00 C ATOM 840 C THR A 54 -11.455 -13.637 0.457 1.00 0.00 C ATOM 841 O THR A 54 -10.322 -13.751 0.926 1.00 0.00 O ATOM 842 CB THR A 54 -13.462 -14.581 1.729 1.00 0.00 C ATOM 843 OG1 THR A 54 -14.154 -14.209 2.918 1.00 0.00 O ATOM 844 CG2 THR A 54 -12.580 -15.754 2.163 1.00 0.00 C ATOM 0 H THR A 54 -14.439 -12.767 0.448 1.00 0.00 H new ATOM 0 HA THR A 54 -12.220 -12.934 2.286 1.00 0.00 H new ATOM 0 HB THR A 54 -14.068 -14.879 0.873 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.709 -14.957 3.221 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.208 -16.610 2.408 1.00 0.00 H new ATOM 0 HG22 THR A 54 -11.904 -16.021 1.351 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.999 -15.468 3.040 1.00 0.00 H new ATOM 852 N TRP A 55 -11.749 -13.757 -0.829 1.00 0.00 N ATOM 853 CA TRP A 55 -10.715 -14.041 -1.811 1.00 0.00 C ATOM 854 C TRP A 55 -9.723 -12.877 -1.802 1.00 0.00 C ATOM 855 O TRP A 55 -8.526 -13.076 -2.004 1.00 0.00 O ATOM 856 CB TRP A 55 -11.325 -14.296 -3.191 1.00 0.00 C ATOM 857 CG TRP A 55 -11.561 -13.027 -4.011 1.00 0.00 C ATOM 858 CD1 TRP A 55 -12.674 -12.284 -4.079 1.00 0.00 C ATOM 859 CD2 TRP A 55 -10.612 -12.379 -4.884 1.00 0.00 C ATOM 860 NE1 TRP A 55 -12.513 -11.207 -4.928 1.00 0.00 N ATOM 861 CE2 TRP A 55 -11.219 -11.267 -5.433 1.00 0.00 C ATOM 862 CE3 TRP A 55 -9.286 -12.720 -5.200 1.00 0.00 C ATOM 863 CZ2 TRP A 55 -10.575 -10.407 -6.330 1.00 0.00 C ATOM 864 CZ3 TRP A 55 -8.656 -11.851 -6.098 1.00 0.00 C ATOM 865 CH2 TRP A 55 -9.252 -10.728 -6.659 1.00 0.00 C ATOM 0 H TRP A 55 -12.689 -13.663 -1.214 1.00 0.00 H new ATOM 0 HA TRP A 55 -10.181 -14.956 -1.555 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.667 -14.961 -3.751 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.274 -14.818 -3.067 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -13.583 -12.500 -3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -13.214 -10.498 -5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -8.792 -13.585 -4.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.071 -9.543 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.635 -12.068 -6.374 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.698 -10.106 -7.346 1.00 0.00 H new ATOM 876 N VAL A 56 -10.257 -11.688 -1.566 1.00 0.00 N ATOM 877 CA VAL A 56 -9.433 -10.491 -1.527 1.00 0.00 C ATOM 878 C VAL A 56 -8.502 -10.557 -0.316 1.00 0.00 C ATOM 879 O VAL A 56 -7.300 -10.319 -0.438 1.00 0.00 O ATOM 880 CB VAL A 56 -10.319 -9.245 -1.534 1.00 0.00 C ATOM 881 CG1 VAL A 56 -9.517 -8.000 -1.148 1.00 0.00 C ATOM 882 CG2 VAL A 56 -10.998 -9.061 -2.892 1.00 0.00 C ATOM 0 H VAL A 56 -11.250 -11.527 -1.400 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.805 -10.431 -2.416 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.100 -9.386 -0.787 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.171 -7.128 -1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -9.104 -8.129 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.705 -7.855 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.622 -8.168 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.239 -8.953 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.618 -9.931 -3.110 1.00 0.00 H new ATOM 892 N ARG A 57 -9.090 -10.881 0.826 1.00 0.00 N ATOM 893 CA ARG A 57 -8.328 -10.981 2.059 1.00 0.00 C ATOM 894 C ARG A 57 -7.300 -12.110 1.958 1.00 0.00 C ATOM 895 O ARG A 57 -6.201 -12.005 2.501 1.00 0.00 O ATOM 896 CB ARG A 57 -9.245 -11.243 3.255 1.00 0.00 C ATOM 897 CG ARG A 57 -9.353 -10.003 4.145 1.00 0.00 C ATOM 898 CD ARG A 57 -10.564 -10.100 5.075 1.00 0.00 C ATOM 899 NE ARG A 57 -10.119 -10.361 6.461 1.00 0.00 N ATOM 900 CZ ARG A 57 -9.712 -9.409 7.313 1.00 0.00 C ATOM 901 NH1 ARG A 57 -9.693 -8.127 6.923 1.00 0.00 N ATOM 902 NH2 ARG A 57 -9.326 -9.739 8.552 1.00 0.00 N ATOM 0 H ARG A 57 -10.086 -11.078 0.923 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.816 -10.030 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.236 -11.529 2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.860 -12.080 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.444 -9.895 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.437 -9.111 3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -11.137 -9.174 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.226 -10.899 4.741 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.122 -11.327 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.988 -7.877 5.979 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.384 -7.402 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.341 -10.715 8.848 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.016 -9.014 9.200 1.00 0.00 H new ATOM 916 N ASP A 58 -7.693 -13.165 1.257 1.00 0.00 N ATOM 917 CA ASP A 58 -6.819 -14.311 1.077 1.00 0.00 C ATOM 918 C ASP A 58 -5.659 -13.924 0.159 1.00 0.00 C ATOM 919 O ASP A 58 -4.507 -14.258 0.433 1.00 0.00 O ATOM 920 CB ASP A 58 -7.568 -15.477 0.429 1.00 0.00 C ATOM 921 CG ASP A 58 -7.410 -16.823 1.140 1.00 0.00 C ATOM 922 OD1 ASP A 58 -7.698 -16.859 2.356 1.00 0.00 O ATOM 923 OD2 ASP A 58 -7.004 -17.784 0.452 1.00 0.00 O ATOM 0 H ASP A 58 -8.605 -13.249 0.808 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.456 -14.616 2.058 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.628 -15.229 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.223 -15.584 -0.599 1.00 0.00 H new ATOM 928 N VAL A 59 -6.003 -13.227 -0.914 1.00 0.00 N ATOM 929 CA VAL A 59 -5.004 -12.791 -1.875 1.00 0.00 C ATOM 930 C VAL A 59 -4.085 -11.760 -1.217 1.00 0.00 C ATOM 931 O VAL A 59 -2.881 -11.750 -1.465 1.00 0.00 O ATOM 932 CB VAL A 59 -5.688 -12.262 -3.138 1.00 0.00 C ATOM 933 CG1 VAL A 59 -4.750 -11.348 -3.927 1.00 0.00 C ATOM 934 CG2 VAL A 59 -6.195 -13.413 -4.010 1.00 0.00 C ATOM 0 H VAL A 59 -6.959 -12.953 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.382 -13.630 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.550 -11.671 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.260 -10.986 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.460 -10.501 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.860 -11.905 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.677 -13.010 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.356 -14.043 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.914 -14.007 -3.446 1.00 0.00 H new ATOM 944 N VAL A 60 -4.689 -10.917 -0.392 1.00 0.00 N ATOM 945 CA VAL A 60 -3.939 -9.885 0.304 1.00 0.00 C ATOM 946 C VAL A 60 -2.862 -10.538 1.171 1.00 0.00 C ATOM 947 O VAL A 60 -1.741 -10.041 1.255 1.00 0.00 O ATOM 948 CB VAL A 60 -4.893 -8.996 1.104 1.00 0.00 C ATOM 949 CG1 VAL A 60 -4.121 -8.076 2.052 1.00 0.00 C ATOM 950 CG2 VAL A 60 -5.801 -8.188 0.174 1.00 0.00 C ATOM 0 H VAL A 60 -5.689 -10.928 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.431 -9.236 -0.409 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.526 -9.645 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.823 -7.455 2.608 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.538 -8.678 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.451 -7.438 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.469 -7.565 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.191 -7.554 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.391 -8.868 -0.440 1.00 0.00 H new ATOM 960 N ARG A 61 -3.241 -11.645 1.794 1.00 0.00 N ATOM 961 CA ARG A 61 -2.321 -12.372 2.652 1.00 0.00 C ATOM 962 C ARG A 61 -1.108 -12.847 1.849 1.00 0.00 C ATOM 963 O ARG A 61 0.026 -12.754 2.315 1.00 0.00 O ATOM 964 CB ARG A 61 -3.004 -13.581 3.293 1.00 0.00 C ATOM 965 CG ARG A 61 -1.987 -14.470 4.010 1.00 0.00 C ATOM 966 CD ARG A 61 -1.362 -13.739 5.200 1.00 0.00 C ATOM 967 NE ARG A 61 -1.692 -14.445 6.458 1.00 0.00 N ATOM 968 CZ ARG A 61 -2.808 -14.231 7.169 1.00 0.00 C ATOM 969 NH1 ARG A 61 -3.708 -13.330 6.749 1.00 0.00 N ATOM 970 NH2 ARG A 61 -3.025 -14.918 8.299 1.00 0.00 N ATOM 0 H ARG A 61 -4.172 -12.055 1.722 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.996 -11.692 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.760 -13.243 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.521 -14.159 2.527 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.475 -15.382 4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.206 -14.771 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.280 -13.685 5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.730 -12.714 5.241 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.029 -15.138 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.543 -12.808 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.557 -13.167 7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.341 -15.604 8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.874 -14.755 8.840 1.00 0.00 H new ATOM 984 N SER A 62 -1.389 -13.346 0.653 1.00 0.00 N ATOM 985 CA SER A 62 -0.335 -13.835 -0.219 1.00 0.00 C ATOM 986 C SER A 62 0.453 -12.658 -0.798 1.00 0.00 C ATOM 987 O SER A 62 1.683 -12.687 -0.834 1.00 0.00 O ATOM 988 CB SER A 62 -0.909 -14.695 -1.347 1.00 0.00 C ATOM 989 OG SER A 62 0.053 -15.611 -1.862 1.00 0.00 O ATOM 0 H SER A 62 -2.331 -13.422 0.268 1.00 0.00 H new ATOM 0 HA SER A 62 0.336 -14.458 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.774 -15.247 -0.978 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.262 -14.050 -2.151 1.00 0.00 H new ATOM 0 HG SER A 62 -0.352 -16.143 -2.579 1.00 0.00 H new ATOM 995 N MET A 63 -0.287 -11.651 -1.238 1.00 0.00 N ATOM 996 CA MET A 63 0.327 -10.467 -1.814 1.00 0.00 C ATOM 997 C MET A 63 1.575 -10.059 -1.028 1.00 0.00 C ATOM 998 O MET A 63 2.592 -9.691 -1.615 1.00 0.00 O ATOM 999 CB MET A 63 -0.679 -9.314 -1.808 1.00 0.00 C ATOM 1000 CG MET A 63 -1.624 -9.407 -3.007 1.00 0.00 C ATOM 1001 SD MET A 63 -0.696 -9.291 -4.527 1.00 0.00 S ATOM 1002 CE MET A 63 0.069 -7.694 -4.302 1.00 0.00 C ATOM 0 H MET A 63 -1.306 -11.631 -1.207 1.00 0.00 H new ATOM 0 HA MET A 63 0.623 -10.697 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.256 -9.334 -0.883 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.148 -8.363 -1.832 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.171 -10.349 -2.977 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.363 -8.607 -2.961 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.482 -7.351 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 63 -0.676 -6.980 -3.951 1.00 0.00 H new ATOM 0 HE3 MET A 63 0.869 -7.774 -3.566 1.00 0.00 H new ATOM 1012 N ASP A 64 1.457 -10.138 0.290 1.00 0.00 N ATOM 1013 CA ASP A 64 2.562 -9.781 1.163 1.00 0.00 C ATOM 1014 C ASP A 64 3.775 -10.649 0.824 1.00 0.00 C ATOM 1015 O ASP A 64 4.890 -10.144 0.701 1.00 0.00 O ATOM 1016 CB ASP A 64 2.205 -10.022 2.631 1.00 0.00 C ATOM 1017 CG ASP A 64 2.931 -9.118 3.630 1.00 0.00 C ATOM 1018 OD1 ASP A 64 4.170 -9.016 3.507 1.00 0.00 O ATOM 1019 OD2 ASP A 64 2.229 -8.551 4.494 1.00 0.00 O ATOM 0 H ASP A 64 0.613 -10.444 0.774 1.00 0.00 H new ATOM 0 HA ASP A 64 2.781 -8.724 1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.131 -9.886 2.755 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.425 -11.061 2.877 1.00 0.00 H new ATOM 1024 N ARG A 65 3.517 -11.941 0.680 1.00 0.00 N ATOM 1025 CA ARG A 65 4.574 -12.884 0.358 1.00 0.00 C ATOM 1026 C ARG A 65 5.035 -12.690 -1.089 1.00 0.00 C ATOM 1027 O ARG A 65 6.185 -12.974 -1.421 1.00 0.00 O ATOM 1028 CB ARG A 65 4.101 -14.327 0.545 1.00 0.00 C ATOM 1029 CG ARG A 65 4.989 -15.301 -0.232 1.00 0.00 C ATOM 1030 CD ARG A 65 5.091 -16.646 0.491 1.00 0.00 C ATOM 1031 NE ARG A 65 6.503 -17.087 0.542 1.00 0.00 N ATOM 1032 CZ ARG A 65 6.979 -17.982 1.419 1.00 0.00 C ATOM 1033 NH1 ARG A 65 6.158 -18.538 2.320 1.00 0.00 N ATOM 1034 NH2 ARG A 65 8.274 -18.323 1.392 1.00 0.00 N ATOM 0 H ARG A 65 2.591 -12.357 0.781 1.00 0.00 H new ATOM 0 HA ARG A 65 5.405 -12.695 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.114 -14.583 1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.069 -14.422 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 65 4.582 -15.451 -1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.984 -14.873 -0.354 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.693 -16.556 1.502 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.487 -17.392 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 65 7.154 -16.685 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.171 -18.280 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.520 -19.219 2.988 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.898 -17.902 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.636 -19.004 2.059 1.00 0.00 H new ATOM 1048 N LYS A 66 4.114 -12.209 -1.910 1.00 0.00 N ATOM 1049 CA LYS A 66 4.411 -11.974 -3.313 1.00 0.00 C ATOM 1050 C LYS A 66 5.348 -10.771 -3.436 1.00 0.00 C ATOM 1051 O LYS A 66 6.223 -10.746 -4.300 1.00 0.00 O ATOM 1052 CB LYS A 66 3.118 -11.831 -4.118 1.00 0.00 C ATOM 1053 CG LYS A 66 3.413 -11.414 -5.560 1.00 0.00 C ATOM 1054 CD LYS A 66 3.276 -12.603 -6.514 1.00 0.00 C ATOM 1055 CE LYS A 66 4.062 -12.363 -7.804 1.00 0.00 C ATOM 1056 NZ LYS A 66 5.143 -13.365 -7.946 1.00 0.00 N ATOM 0 H LYS A 66 3.161 -11.975 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 66 4.932 -12.830 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.576 -12.777 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.472 -11.091 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.728 -10.621 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.421 -11.005 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.637 -13.509 -6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.224 -12.766 -6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.391 -12.419 -8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.487 -11.359 -7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.667 -13.188 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.792 -13.293 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.730 -14.319 -7.975 1.00 0.00 H new ATOM 1070 N SER A 67 5.132 -9.800 -2.560 1.00 0.00 N ATOM 1071 CA SER A 67 5.946 -8.597 -2.561 1.00 0.00 C ATOM 1072 C SER A 67 6.956 -8.648 -1.411 1.00 0.00 C ATOM 1073 O SER A 67 7.256 -7.624 -0.799 1.00 0.00 O ATOM 1074 CB SER A 67 5.077 -7.343 -2.448 1.00 0.00 C ATOM 1075 OG SER A 67 5.804 -6.159 -2.766 1.00 0.00 O ATOM 0 H SER A 67 4.405 -9.822 -1.845 1.00 0.00 H new ATOM 0 HA SER A 67 6.484 -8.549 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.221 -7.434 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.683 -7.265 -1.435 1.00 0.00 H new ATOM 0 HG SER A 67 6.619 -6.120 -2.223 1.00 0.00 H new ATOM 1316 N GLN A 83 18.111 -38.891 -21.164 1.00 0.00 N ATOM 1317 CA GLN A 83 18.830 -39.924 -21.891 1.00 0.00 C ATOM 1318 C GLN A 83 17.962 -40.481 -23.021 1.00 0.00 C ATOM 1319 O GLN A 83 16.746 -40.296 -23.023 1.00 0.00 O ATOM 1320 CB GLN A 83 19.287 -41.040 -20.949 1.00 0.00 C ATOM 1321 CG GLN A 83 20.745 -41.419 -21.215 1.00 0.00 C ATOM 1322 CD GLN A 83 21.028 -42.856 -20.770 1.00 0.00 C ATOM 1323 OE1 GLN A 83 20.213 -43.752 -20.921 1.00 0.00 O ATOM 1324 NE2 GLN A 83 22.223 -43.024 -20.213 1.00 0.00 N ATOM 0 HA GLN A 83 19.721 -39.477 -22.331 1.00 0.00 H new ATOM 0 HB2 GLN A 83 19.175 -40.716 -19.914 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.650 -41.915 -21.080 1.00 0.00 H new ATOM 0 HG2 GLN A 83 20.964 -41.314 -22.278 1.00 0.00 H new ATOM 0 HG3 GLN A 83 21.405 -40.733 -20.684 1.00 0.00 H new ATOM 0 HE21 GLN A 83 22.857 -42.231 -20.117 1.00 0.00 H new ATOM 0 HE22 GLN A 83 22.506 -43.946 -19.881 1.00 0.00 H new ATOM 1333 N SER A 84 18.621 -41.152 -23.954 1.00 0.00 N ATOM 1334 CA SER A 84 17.924 -41.736 -25.087 1.00 0.00 C ATOM 1335 C SER A 84 18.586 -43.058 -25.482 1.00 0.00 C ATOM 1336 O SER A 84 19.698 -43.354 -25.049 1.00 0.00 O ATOM 1337 CB SER A 84 17.905 -40.775 -26.278 1.00 0.00 C ATOM 1338 OG SER A 84 16.622 -40.713 -26.893 1.00 0.00 O ATOM 0 H SER A 84 19.630 -41.304 -23.949 1.00 0.00 H new ATOM 0 HA SER A 84 16.892 -41.926 -24.793 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.196 -39.779 -25.945 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.644 -41.094 -27.013 1.00 0.00 H new ATOM 0 HG SER A 84 16.651 -40.088 -27.647 1.00 0.00 H new ATOM 1344 N THR A 85 17.873 -43.819 -26.300 1.00 0.00 N ATOM 1345 CA THR A 85 18.376 -45.102 -26.759 1.00 0.00 C ATOM 1346 C THR A 85 18.078 -45.291 -28.247 1.00 0.00 C ATOM 1347 O THR A 85 17.306 -44.533 -28.830 1.00 0.00 O ATOM 1348 CB THR A 85 17.767 -46.192 -25.874 1.00 0.00 C ATOM 1349 OG1 THR A 85 18.233 -45.877 -24.564 1.00 0.00 O ATOM 1350 CG2 THR A 85 18.360 -47.574 -26.157 1.00 0.00 C ATOM 0 H THR A 85 16.950 -43.571 -26.657 1.00 0.00 H new ATOM 0 HA THR A 85 19.461 -45.157 -26.668 1.00 0.00 H new ATOM 0 HB THR A 85 16.688 -46.221 -26.025 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.884 -46.534 -23.926 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.894 -48.311 -25.503 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.175 -47.843 -27.197 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.434 -47.554 -25.973 1.00 0.00 H new ATOM 1358 N ASN A 86 18.708 -46.308 -28.820 1.00 0.00 N ATOM 1359 CA ASN A 86 18.520 -46.606 -30.229 1.00 0.00 C ATOM 1360 C ASN A 86 18.682 -48.111 -30.453 1.00 0.00 C ATOM 1361 O ASN A 86 19.280 -48.803 -29.631 1.00 0.00 O ATOM 1362 CB ASN A 86 19.560 -45.886 -31.088 1.00 0.00 C ATOM 1363 CG ASN A 86 18.937 -44.696 -31.822 1.00 0.00 C ATOM 1364 OD1 ASN A 86 18.348 -44.827 -32.883 1.00 0.00 O ATOM 1365 ND2 ASN A 86 19.097 -43.532 -31.199 1.00 0.00 N ATOM 0 H ASN A 86 19.349 -46.935 -28.333 1.00 0.00 H new ATOM 0 HA ASN A 86 17.523 -46.271 -30.514 1.00 0.00 H new ATOM 0 HB2 ASN A 86 20.380 -45.541 -30.459 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.984 -46.582 -31.811 1.00 0.00 H new ATOM 0 HD21 ASN A 86 18.716 -42.678 -31.607 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.601 -43.493 -30.313 1.00 0.00 H new ATOM 1372 N THR A 87 18.139 -48.572 -31.571 1.00 0.00 N ATOM 1373 CA THR A 87 18.216 -49.982 -31.913 1.00 0.00 C ATOM 1374 C THR A 87 18.683 -50.154 -33.360 1.00 0.00 C ATOM 1375 O THR A 87 18.952 -49.172 -34.050 1.00 0.00 O ATOM 1376 CB THR A 87 16.850 -50.612 -31.636 1.00 0.00 C ATOM 1377 OG1 THR A 87 15.945 -49.834 -32.416 1.00 0.00 O ATOM 1378 CG2 THR A 87 16.384 -50.391 -30.196 1.00 0.00 C ATOM 0 H THR A 87 17.644 -47.994 -32.251 1.00 0.00 H new ATOM 0 HA THR A 87 18.957 -50.498 -31.302 1.00 0.00 H new ATOM 0 HB THR A 87 16.895 -51.681 -31.843 1.00 0.00 H new ATOM 0 HG1 THR A 87 15.034 -50.175 -32.297 1.00 0.00 H new ATOM 0 HG21 THR A 87 15.410 -50.858 -30.053 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.104 -50.835 -29.508 1.00 0.00 H new ATOM 0 HG23 THR A 87 16.306 -49.322 -29.999 1.00 0.00 H new ATOM 1386 N ALA A 88 18.763 -51.410 -33.777 1.00 0.00 N ATOM 1387 CA ALA A 88 19.193 -51.723 -35.128 1.00 0.00 C ATOM 1388 C ALA A 88 19.111 -53.235 -35.347 1.00 0.00 C ATOM 1389 O ALA A 88 19.832 -53.998 -34.705 1.00 0.00 O ATOM 1390 CB ALA A 88 20.603 -51.176 -35.357 1.00 0.00 C ATOM 0 H ALA A 88 18.537 -52.222 -33.202 1.00 0.00 H new ATOM 0 HA ALA A 88 18.538 -51.248 -35.858 1.00 0.00 H new ATOM 0 HB1 ALA A 88 20.924 -51.412 -36.372 1.00 0.00 H new ATOM 0 HB2 ALA A 88 20.601 -50.095 -35.219 1.00 0.00 H new ATOM 0 HB3 ALA A 88 21.290 -51.631 -34.644 1.00 0.00 H new ATOM 1396 N VAL A 89 18.228 -53.623 -36.255 1.00 0.00 N ATOM 1397 CA VAL A 89 18.043 -55.031 -36.566 1.00 0.00 C ATOM 1398 C VAL A 89 17.364 -55.162 -37.931 1.00 0.00 C ATOM 1399 O VAL A 89 16.281 -54.618 -38.144 1.00 0.00 O ATOM 1400 CB VAL A 89 17.265 -55.717 -35.442 1.00 0.00 C ATOM 1401 CG1 VAL A 89 15.804 -55.261 -35.428 1.00 0.00 C ATOM 1402 CG2 VAL A 89 17.362 -57.239 -35.558 1.00 0.00 C ATOM 0 H VAL A 89 17.633 -52.987 -36.786 1.00 0.00 H new ATOM 0 HA VAL A 89 19.006 -55.538 -36.632 1.00 0.00 H new ATOM 0 HB VAL A 89 17.717 -55.423 -34.495 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.274 -55.764 -34.619 1.00 0.00 H new ATOM 0 HG12 VAL A 89 15.761 -54.183 -35.275 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.336 -55.511 -36.380 1.00 0.00 H new ATOM 0 HG21 VAL A 89 16.800 -57.702 -34.747 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.948 -57.558 -36.515 1.00 0.00 H new ATOM 0 HG23 VAL A 89 18.407 -57.543 -35.495 1.00 0.00 H new ATOM 1412 N THR A 90 18.028 -55.887 -38.820 1.00 0.00 N ATOM 1413 CA THR A 90 17.502 -56.096 -40.157 1.00 0.00 C ATOM 1414 C THR A 90 17.183 -57.576 -40.380 1.00 0.00 C ATOM 1415 O THR A 90 17.804 -58.447 -39.771 1.00 0.00 O ATOM 1416 CB THR A 90 18.515 -55.536 -41.157 1.00 0.00 C ATOM 1417 OG1 THR A 90 18.484 -54.129 -40.930 1.00 0.00 O ATOM 1418 CG2 THR A 90 18.052 -55.689 -42.608 1.00 0.00 C ATOM 0 H THR A 90 18.926 -56.337 -38.640 1.00 0.00 H new ATOM 0 HA THR A 90 16.559 -55.568 -40.297 1.00 0.00 H new ATOM 0 HB THR A 90 19.472 -56.041 -41.026 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.114 -53.686 -41.536 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.807 -55.276 -43.276 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.906 -56.745 -42.834 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.112 -55.155 -42.748 1.00 0.00 H new ATOM 1426 N LEU A 91 16.217 -57.816 -41.253 1.00 0.00 N ATOM 1427 CA LEU A 91 15.809 -59.176 -41.563 1.00 0.00 C ATOM 1428 C LEU A 91 17.051 -60.056 -41.709 1.00 0.00 C ATOM 1429 O LEU A 91 18.158 -59.548 -41.880 1.00 0.00 O ATOM 1430 CB LEU A 91 14.895 -59.195 -42.790 1.00 0.00 C ATOM 1431 CG LEU A 91 15.596 -59.282 -44.148 1.00 0.00 C ATOM 1432 CD1 LEU A 91 14.737 -60.040 -45.161 1.00 0.00 C ATOM 1433 CD2 LEU A 91 15.986 -57.892 -44.654 1.00 0.00 C ATOM 0 H LEU A 91 15.704 -57.092 -41.756 1.00 0.00 H new ATOM 0 HA LEU A 91 15.218 -59.591 -40.747 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.216 -60.043 -42.699 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.283 -58.293 -42.776 1.00 0.00 H new ATOM 0 HG LEU A 91 16.518 -59.849 -44.020 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.258 -60.087 -46.117 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.553 -61.051 -44.798 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.786 -59.523 -45.291 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.482 -57.983 -45.620 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.091 -57.280 -44.762 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.663 -57.422 -43.941 1.00 0.00 H new ATOM 1445 N THR A 92 16.826 -61.360 -41.634 1.00 0.00 N ATOM 1446 CA THR A 92 17.914 -62.315 -41.756 1.00 0.00 C ATOM 1447 C THR A 92 18.514 -62.265 -43.163 1.00 0.00 C ATOM 1448 O THR A 92 18.046 -61.511 -44.014 1.00 0.00 O ATOM 1449 CB THR A 92 17.376 -63.695 -41.373 1.00 0.00 C ATOM 1450 OG1 THR A 92 16.518 -64.046 -42.455 1.00 0.00 O ATOM 1451 CG2 THR A 92 16.444 -63.645 -40.161 1.00 0.00 C ATOM 0 H THR A 92 15.906 -61.777 -41.490 1.00 0.00 H new ATOM 0 HA THR A 92 18.733 -62.070 -41.080 1.00 0.00 H new ATOM 0 HB THR A 92 18.211 -64.363 -41.162 1.00 0.00 H new ATOM 0 HG1 THR A 92 16.127 -64.929 -42.289 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.091 -64.650 -39.932 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.984 -63.246 -39.303 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.592 -63.003 -40.384 1.00 0.00 H new