USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 68 ASN : amide:sc= 1.62 K(o=3.3,f=-3.7!) USER MOD Set 1.2: A 71 THR OG1 : rot 75:sc= 1.68 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -174:sc= 1.95 (180deg=0.891) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.783 USER MOD Set 3.1: A 37 CYS SG : rot 170:sc= -0.0938 USER MOD Set 3.2: A 40 CYS SG : rot 93:sc= 0.494 USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.725 USER MOD Set 4.2: A 41 LYS NZ :NH3+ -162:sc= 0.824 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -20:sc= 0.144 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.22) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00963 USER MOD Single : A 23 SER OG : rot 160:sc= 0.0284 USER MOD Single : A 24 SER OG : rot 87:sc= 0.477 USER MOD Single : A 25 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 42 MET CE :methyl -172:sc= 0 (180deg=-0.0801) USER MOD Single : A 52 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 1.74 (180deg=1.43) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 1.11 K(o=1.1,f=-0.6) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 93 LYS NZ :NH3+ 176:sc= 2.44 (180deg=2.4) USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= 0.991 (180deg=0.947) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 2.42 (180deg=1.96) USER MOD Single : A 109 SER OG : rot 33:sc= 0.504 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 2.937 0.046 10.424 1.00 0.00 N ATOM 115 CA THR A 9 1.961 -0.739 9.650 1.00 0.00 C ATOM 116 C THR A 9 0.542 -0.672 10.226 1.00 0.00 C ATOM 117 O THR A 9 0.347 -0.786 11.438 1.00 0.00 O ATOM 118 CB THR A 9 2.393 -2.208 9.495 1.00 0.00 C ATOM 119 OG1 THR A 9 2.797 -2.766 10.731 1.00 0.00 O ATOM 120 CG2 THR A 9 3.577 -2.349 8.538 1.00 0.00 C ATOM 0 HA THR A 9 1.939 -0.274 8.664 1.00 0.00 H new ATOM 0 HB THR A 9 1.520 -2.732 9.105 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.024 -2.046 11.356 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.854 -3.400 8.454 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.298 -1.967 7.556 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.424 -1.780 8.921 1.00 0.00 H new ATOM 128 N ILE A 10 -0.456 -0.545 9.344 1.00 0.00 N ATOM 129 CA ILE A 10 -1.902 -0.527 9.648 1.00 0.00 C ATOM 130 C ILE A 10 -2.703 -1.354 8.621 1.00 0.00 C ATOM 131 O ILE A 10 -2.159 -1.783 7.601 1.00 0.00 O ATOM 132 CB ILE A 10 -2.440 0.928 9.739 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.316 1.686 8.399 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.762 1.697 10.888 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.037 3.039 8.381 1.00 0.00 C ATOM 0 H ILE A 10 -0.273 -0.447 8.345 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.038 -0.993 10.624 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.505 0.862 9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.260 1.845 8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.717 1.061 7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.157 2.712 10.929 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.962 1.191 11.832 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.686 1.733 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.903 3.509 7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.100 2.887 8.568 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.621 3.683 9.155 1.00 0.00 H new ATOM 147 N LYS A 11 -4.007 -1.556 8.853 1.00 0.00 N ATOM 148 CA LYS A 11 -4.948 -2.125 7.862 1.00 0.00 C ATOM 149 C LYS A 11 -6.155 -1.202 7.649 1.00 0.00 C ATOM 150 O LYS A 11 -6.632 -0.581 8.600 1.00 0.00 O ATOM 151 CB LYS A 11 -5.380 -3.553 8.248 1.00 0.00 C ATOM 152 CG LYS A 11 -4.184 -4.469 8.568 1.00 0.00 C ATOM 153 CD LYS A 11 -4.522 -5.966 8.525 1.00 0.00 C ATOM 154 CE LYS A 11 -4.630 -6.467 7.078 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.797 -7.941 7.020 1.00 0.00 N ATOM 0 H LYS A 11 -4.450 -1.328 9.743 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.422 -2.197 6.910 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.039 -3.507 9.115 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.957 -3.987 7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.383 -4.266 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.802 -4.220 9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.753 -6.531 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.463 -6.145 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.476 -5.985 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.735 -6.180 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.421 -8.298 6.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.280 -8.380 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.807 -8.179 7.092 1.00 0.00 H new ATOM 169 N VAL A 12 -6.638 -1.113 6.407 1.00 0.00 N ATOM 170 CA VAL A 12 -7.750 -0.234 5.981 1.00 0.00 C ATOM 171 C VAL A 12 -8.675 -0.957 4.994 1.00 0.00 C ATOM 172 O VAL A 12 -8.217 -1.816 4.243 1.00 0.00 O ATOM 173 CB VAL A 12 -7.242 1.089 5.356 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.425 1.912 6.356 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.387 0.871 4.097 1.00 0.00 C ATOM 0 H VAL A 12 -6.259 -1.666 5.638 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.314 0.016 6.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.144 1.632 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.087 2.832 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.045 2.157 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.561 1.334 6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.062 1.835 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.514 0.269 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.978 0.354 3.341 1.00 0.00 H new ATOM 185 N THR A 13 -9.965 -0.607 4.978 1.00 0.00 N ATOM 186 CA THR A 13 -10.988 -1.166 4.067 1.00 0.00 C ATOM 187 C THR A 13 -11.943 -0.082 3.555 1.00 0.00 C ATOM 188 O THR A 13 -12.070 0.987 4.154 1.00 0.00 O ATOM 189 CB THR A 13 -11.818 -2.281 4.733 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.446 -1.804 5.905 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.991 -3.510 5.111 1.00 0.00 C ATOM 0 H THR A 13 -10.345 0.093 5.615 1.00 0.00 H new ATOM 0 HA THR A 13 -10.436 -1.591 3.229 1.00 0.00 H new ATOM 0 HB THR A 13 -12.554 -2.579 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.969 -2.525 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.638 -4.255 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.536 -3.932 4.215 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.209 -3.221 5.813 1.00 0.00 H new ATOM 199 N ASP A 14 -12.652 -0.368 2.460 1.00 0.00 N ATOM 200 CA ASP A 14 -13.566 0.531 1.739 1.00 0.00 C ATOM 201 C ASP A 14 -14.622 1.225 2.626 1.00 0.00 C ATOM 202 O ASP A 14 -14.998 2.367 2.360 1.00 0.00 O ATOM 203 CB ASP A 14 -14.257 -0.298 0.646 1.00 0.00 C ATOM 204 CG ASP A 14 -15.131 0.569 -0.269 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.560 1.335 -1.082 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.378 0.471 -0.191 1.00 0.00 O ATOM 0 H ASP A 14 -12.602 -1.289 2.024 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.970 1.346 1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.503 -0.809 0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.872 -1.069 1.110 1.00 0.00 H new ATOM 211 N ALA A 15 -15.051 0.577 3.715 1.00 0.00 N ATOM 212 CA ALA A 15 -16.018 1.120 4.675 1.00 0.00 C ATOM 213 C ALA A 15 -15.503 2.349 5.465 1.00 0.00 C ATOM 214 O ALA A 15 -16.311 3.121 5.990 1.00 0.00 O ATOM 215 CB ALA A 15 -16.424 -0.017 5.619 1.00 0.00 C ATOM 0 H ALA A 15 -14.728 -0.360 3.958 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.876 1.496 4.118 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.145 0.355 6.347 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.875 -0.825 5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.542 -0.390 6.139 1.00 0.00 H new ATOM 221 N SER A 16 -14.179 2.547 5.534 1.00 0.00 N ATOM 222 CA SER A 16 -13.514 3.639 6.271 1.00 0.00 C ATOM 223 C SER A 16 -12.344 4.275 5.498 1.00 0.00 C ATOM 224 O SER A 16 -11.586 5.062 6.065 1.00 0.00 O ATOM 225 CB SER A 16 -13.017 3.134 7.638 1.00 0.00 C ATOM 226 OG SER A 16 -14.063 2.556 8.408 1.00 0.00 O ATOM 0 H SER A 16 -13.516 1.932 5.063 1.00 0.00 H new ATOM 0 HA SER A 16 -14.265 4.417 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.229 2.396 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.576 3.963 8.191 1.00 0.00 H new ATOM 0 HG SER A 16 -13.705 2.247 9.266 1.00 0.00 H new ATOM 232 N PHE A 17 -12.168 3.948 4.211 1.00 0.00 N ATOM 233 CA PHE A 17 -10.969 4.287 3.434 1.00 0.00 C ATOM 234 C PHE A 17 -10.774 5.801 3.287 1.00 0.00 C ATOM 235 O PHE A 17 -9.682 6.317 3.522 1.00 0.00 O ATOM 236 CB PHE A 17 -11.060 3.602 2.062 1.00 0.00 C ATOM 237 CG PHE A 17 -9.758 3.568 1.285 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.351 4.678 0.520 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.966 2.404 1.306 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.159 4.620 -0.225 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.783 2.343 0.551 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.381 3.450 -0.213 1.00 0.00 C ATOM 0 H PHE A 17 -12.865 3.433 3.673 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.093 3.924 3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.410 2.579 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.812 4.116 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.954 5.574 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.269 1.557 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.842 5.474 -0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.183 1.445 0.558 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.471 3.402 -0.793 1.00 0.00 H new ATOM 252 N ALA A 18 -11.846 6.537 2.975 1.00 0.00 N ATOM 253 CA ALA A 18 -11.798 7.995 2.890 1.00 0.00 C ATOM 254 C ALA A 18 -11.532 8.658 4.258 1.00 0.00 C ATOM 255 O ALA A 18 -10.858 9.685 4.335 1.00 0.00 O ATOM 256 CB ALA A 18 -13.102 8.489 2.254 1.00 0.00 C ATOM 0 H ALA A 18 -12.764 6.139 2.776 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.955 8.286 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.083 9.577 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.205 8.062 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.947 8.180 2.870 1.00 0.00 H new ATOM 262 N THR A 19 -12.024 8.048 5.339 1.00 0.00 N ATOM 263 CA THR A 19 -11.875 8.507 6.732 1.00 0.00 C ATOM 264 C THR A 19 -10.514 8.173 7.362 1.00 0.00 C ATOM 265 O THR A 19 -10.216 8.665 8.451 1.00 0.00 O ATOM 266 CB THR A 19 -13.003 7.930 7.620 1.00 0.00 C ATOM 267 OG1 THR A 19 -14.168 7.626 6.871 1.00 0.00 O ATOM 268 CG2 THR A 19 -13.439 8.905 8.716 1.00 0.00 C ATOM 0 H THR A 19 -12.561 7.183 5.270 1.00 0.00 H new ATOM 0 HA THR A 19 -11.942 9.594 6.685 1.00 0.00 H new ATOM 0 HB THR A 19 -12.575 7.028 8.058 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.855 7.263 7.468 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.232 8.452 9.311 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.589 9.134 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 19 -13.807 9.824 8.260 1.00 0.00 H new ATOM 276 N ASP A 20 -9.677 7.357 6.708 1.00 0.00 N ATOM 277 CA ASP A 20 -8.365 6.928 7.226 1.00 0.00 C ATOM 278 C ASP A 20 -7.199 7.249 6.270 1.00 0.00 C ATOM 279 O ASP A 20 -6.212 7.876 6.666 1.00 0.00 O ATOM 280 CB ASP A 20 -8.425 5.435 7.579 1.00 0.00 C ATOM 281 CG ASP A 20 -7.275 5.055 8.527 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.133 4.869 8.052 1.00 0.00 O ATOM 283 OD2 ASP A 20 -7.516 4.952 9.754 1.00 0.00 O ATOM 0 H ASP A 20 -9.893 6.969 5.790 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.155 7.503 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.381 5.205 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.365 4.838 6.669 1.00 0.00 H new ATOM 288 N VAL A 21 -7.321 6.863 4.995 1.00 0.00 N ATOM 289 CA VAL A 21 -6.301 7.086 3.959 1.00 0.00 C ATOM 290 C VAL A 21 -6.400 8.504 3.396 1.00 0.00 C ATOM 291 O VAL A 21 -5.421 9.251 3.402 1.00 0.00 O ATOM 292 CB VAL A 21 -6.423 6.042 2.827 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.264 6.146 1.833 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.425 4.608 3.368 1.00 0.00 C ATOM 0 H VAL A 21 -8.147 6.377 4.646 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.322 6.969 4.423 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.370 6.259 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.386 5.395 1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.258 7.139 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.322 5.978 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.512 3.906 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.495 4.421 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.269 4.476 4.045 1.00 0.00 H new ATOM 304 N LEU A 22 -7.591 8.910 2.945 1.00 0.00 N ATOM 305 CA LEU A 22 -7.792 10.215 2.294 1.00 0.00 C ATOM 306 C LEU A 22 -7.942 11.378 3.294 1.00 0.00 C ATOM 307 O LEU A 22 -7.828 12.542 2.907 1.00 0.00 O ATOM 308 CB LEU A 22 -8.949 10.151 1.277 1.00 0.00 C ATOM 309 CG LEU A 22 -8.903 8.953 0.305 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.095 9.009 -0.652 1.00 0.00 C ATOM 311 CD2 LEU A 22 -7.624 8.898 -0.528 1.00 0.00 C ATOM 0 H LEU A 22 -8.440 8.350 3.019 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.880 10.437 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.891 10.119 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.950 11.072 0.694 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.936 8.059 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.054 8.160 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.022 8.971 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.059 9.936 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.657 8.032 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.539 9.807 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.762 8.816 0.134 1.00 0.00 H new ATOM 323 N SER A 23 -8.150 11.077 4.579 1.00 0.00 N ATOM 324 CA SER A 23 -8.177 12.054 5.675 1.00 0.00 C ATOM 325 C SER A 23 -6.774 12.514 6.112 1.00 0.00 C ATOM 326 O SER A 23 -6.633 13.585 6.709 1.00 0.00 O ATOM 327 CB SER A 23 -8.917 11.462 6.877 1.00 0.00 C ATOM 328 OG SER A 23 -8.199 10.355 7.388 1.00 0.00 O ATOM 0 H SER A 23 -8.309 10.121 4.896 1.00 0.00 H new ATOM 0 HA SER A 23 -8.698 12.934 5.298 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.034 12.220 7.652 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.919 11.151 6.581 1.00 0.00 H new ATOM 0 HG SER A 23 -8.479 10.182 8.311 1.00 0.00 H new ATOM 334 N SER A 24 -5.729 11.726 5.824 1.00 0.00 N ATOM 335 CA SER A 24 -4.359 11.949 6.273 1.00 0.00 C ATOM 336 C SER A 24 -3.663 13.072 5.499 1.00 0.00 C ATOM 337 O SER A 24 -3.559 13.031 4.271 1.00 0.00 O ATOM 338 CB SER A 24 -3.564 10.647 6.131 1.00 0.00 C ATOM 339 OG SER A 24 -3.915 9.720 7.147 1.00 0.00 O ATOM 0 H SER A 24 -5.824 10.887 5.251 1.00 0.00 H new ATOM 0 HA SER A 24 -4.399 12.259 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.753 10.207 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.497 10.862 6.183 1.00 0.00 H new ATOM 0 HG SER A 24 -4.692 9.197 6.859 1.00 0.00 H new ATOM 345 N ASN A 25 -3.113 14.051 6.228 1.00 0.00 N ATOM 346 CA ASN A 25 -2.218 15.071 5.665 1.00 0.00 C ATOM 347 C ASN A 25 -0.797 14.517 5.420 1.00 0.00 C ATOM 348 O ASN A 25 -0.083 14.992 4.534 1.00 0.00 O ATOM 349 CB ASN A 25 -2.199 16.303 6.586 1.00 0.00 C ATOM 350 CG ASN A 25 -3.581 16.889 6.844 1.00 0.00 C ATOM 351 OD1 ASN A 25 -4.091 16.859 7.956 1.00 0.00 O ATOM 352 ND2 ASN A 25 -4.233 17.437 5.844 1.00 0.00 N ATOM 0 H ASN A 25 -3.277 14.159 7.229 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.601 15.370 4.689 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.746 16.028 7.538 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.565 17.070 6.141 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.160 17.835 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.813 17.465 4.915 1.00 0.00 H new ATOM 359 N LYS A 26 -0.409 13.473 6.169 1.00 0.00 N ATOM 360 CA LYS A 26 0.842 12.710 6.005 1.00 0.00 C ATOM 361 C LYS A 26 0.744 11.781 4.777 1.00 0.00 C ATOM 362 O LYS A 26 -0.341 11.243 4.535 1.00 0.00 O ATOM 363 CB LYS A 26 1.083 11.905 7.299 1.00 0.00 C ATOM 364 CG LYS A 26 2.422 11.148 7.330 1.00 0.00 C ATOM 365 CD LYS A 26 2.499 10.222 8.547 1.00 0.00 C ATOM 366 CE LYS A 26 3.811 9.432 8.532 1.00 0.00 C ATOM 367 NZ LYS A 26 3.766 8.299 9.487 1.00 0.00 N ATOM 0 H LYS A 26 -0.980 13.122 6.937 1.00 0.00 H new ATOM 0 HA LYS A 26 1.682 13.384 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.043 12.585 8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.271 11.189 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.535 10.564 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.246 11.860 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.430 10.808 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.653 9.535 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.001 9.056 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.639 10.093 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.700 7.844 9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.508 8.651 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.058 7.606 9.170 1.00 0.00 H new ATOM 381 N PRO A 27 1.834 11.541 4.020 1.00 0.00 N ATOM 382 CA PRO A 27 1.832 10.550 2.945 1.00 0.00 C ATOM 383 C PRO A 27 1.498 9.139 3.458 1.00 0.00 C ATOM 384 O PRO A 27 2.003 8.703 4.498 1.00 0.00 O ATOM 385 CB PRO A 27 3.222 10.611 2.307 1.00 0.00 C ATOM 386 CG PRO A 27 3.762 11.981 2.711 1.00 0.00 C ATOM 387 CD PRO A 27 3.118 12.226 4.072 1.00 0.00 C ATOM 0 HA PRO A 27 1.055 10.774 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.863 9.808 2.671 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.167 10.509 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.850 11.981 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.485 12.751 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.740 11.835 4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.988 13.292 4.259 1.00 0.00 H new ATOM 395 N VAL A 28 0.658 8.408 2.722 1.00 0.00 N ATOM 396 CA VAL A 28 0.167 7.076 3.094 1.00 0.00 C ATOM 397 C VAL A 28 0.198 6.138 1.889 1.00 0.00 C ATOM 398 O VAL A 28 -0.269 6.477 0.800 1.00 0.00 O ATOM 399 CB VAL A 28 -1.214 7.163 3.779 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.274 7.874 2.935 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.744 5.782 4.188 1.00 0.00 C ATOM 0 H VAL A 28 0.290 8.733 1.828 1.00 0.00 H new ATOM 0 HA VAL A 28 0.836 6.642 3.837 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.038 7.765 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.218 7.897 3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.950 8.894 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.411 7.338 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.717 5.893 4.666 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.844 5.154 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.048 5.317 4.886 1.00 0.00 H new ATOM 411 N LEU A 29 0.777 4.957 2.091 1.00 0.00 N ATOM 412 CA LEU A 29 1.027 3.938 1.075 1.00 0.00 C ATOM 413 C LEU A 29 0.135 2.727 1.380 1.00 0.00 C ATOM 414 O LEU A 29 0.304 2.108 2.428 1.00 0.00 O ATOM 415 CB LEU A 29 2.532 3.609 1.133 1.00 0.00 C ATOM 416 CG LEU A 29 3.121 2.832 -0.057 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.571 2.485 0.270 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.409 1.519 -0.394 1.00 0.00 C ATOM 0 H LEU A 29 1.101 4.670 3.015 1.00 0.00 H new ATOM 0 HA LEU A 29 0.784 4.268 0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.080 4.546 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.719 3.034 2.040 1.00 0.00 H new ATOM 0 HG LEU A 29 3.006 3.485 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.009 1.933 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.136 3.402 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.604 1.872 1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.899 1.048 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.453 0.850 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.367 1.723 -0.642 1.00 0.00 H new ATOM 430 N VAL A 30 -0.798 2.377 0.491 1.00 0.00 N ATOM 431 CA VAL A 30 -1.686 1.213 0.661 1.00 0.00 C ATOM 432 C VAL A 30 -1.321 0.110 -0.336 1.00 0.00 C ATOM 433 O VAL A 30 -1.272 0.340 -1.545 1.00 0.00 O ATOM 434 CB VAL A 30 -3.184 1.575 0.580 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.027 0.443 1.184 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.553 2.888 1.286 1.00 0.00 C ATOM 0 H VAL A 30 -0.963 2.893 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.526 0.838 1.672 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.396 1.712 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.084 0.704 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.849 -0.479 0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.748 0.298 2.228 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.623 3.069 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.298 2.817 2.343 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.000 3.712 0.834 1.00 0.00 H new ATOM 446 N ASP A 31 -1.056 -1.090 0.175 1.00 0.00 N ATOM 447 CA ASP A 31 -0.740 -2.293 -0.596 1.00 0.00 C ATOM 448 C ASP A 31 -1.907 -3.295 -0.580 1.00 0.00 C ATOM 449 O ASP A 31 -2.291 -3.827 0.467 1.00 0.00 O ATOM 450 CB ASP A 31 0.582 -2.879 -0.083 1.00 0.00 C ATOM 451 CG ASP A 31 0.863 -4.286 -0.627 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.777 -4.491 -1.858 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.179 -5.179 0.195 1.00 0.00 O ATOM 0 H ASP A 31 -1.055 -1.259 1.181 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.604 -2.038 -1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.401 -2.216 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.560 -2.914 1.006 1.00 0.00 H new ATOM 458 N PHE A 32 -2.464 -3.542 -1.765 1.00 0.00 N ATOM 459 CA PHE A 32 -3.546 -4.485 -2.036 1.00 0.00 C ATOM 460 C PHE A 32 -2.924 -5.830 -2.450 1.00 0.00 C ATOM 461 O PHE A 32 -2.320 -5.948 -3.520 1.00 0.00 O ATOM 462 CB PHE A 32 -4.485 -3.891 -3.104 1.00 0.00 C ATOM 463 CG PHE A 32 -4.877 -2.442 -2.845 1.00 0.00 C ATOM 464 CD1 PHE A 32 -5.932 -2.124 -1.971 1.00 0.00 C ATOM 465 CD2 PHE A 32 -4.152 -1.398 -3.447 1.00 0.00 C ATOM 466 CE1 PHE A 32 -6.229 -0.784 -1.663 1.00 0.00 C ATOM 467 CE2 PHE A 32 -4.456 -0.059 -3.155 1.00 0.00 C ATOM 468 CZ PHE A 32 -5.487 0.253 -2.254 1.00 0.00 C ATOM 0 H PHE A 32 -2.154 -3.061 -2.609 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.157 -4.664 -1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.000 -3.957 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.389 -4.498 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.520 -2.916 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.355 -1.628 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.027 -0.552 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.895 0.735 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.708 1.283 -2.017 1.00 0.00 H new ATOM 478 N TRP A 33 -3.024 -6.826 -1.567 1.00 0.00 N ATOM 479 CA TRP A 33 -2.218 -8.057 -1.593 1.00 0.00 C ATOM 480 C TRP A 33 -3.032 -9.299 -1.182 1.00 0.00 C ATOM 481 O TRP A 33 -4.159 -9.176 -0.704 1.00 0.00 O ATOM 482 CB TRP A 33 -0.997 -7.863 -0.665 1.00 0.00 C ATOM 483 CG TRP A 33 -1.177 -8.301 0.764 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.140 -7.865 1.606 1.00 0.00 C ATOM 485 CD2 TRP A 33 -0.452 -9.331 1.507 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.116 -8.598 2.775 1.00 0.00 N ATOM 487 CE2 TRP A 33 -1.103 -9.529 2.762 1.00 0.00 C ATOM 488 CE3 TRP A 33 0.687 -10.124 1.250 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -0.688 -10.502 3.680 1.00 0.00 C ATOM 490 CZ3 TRP A 33 1.110 -11.111 2.159 1.00 0.00 C ATOM 491 CH2 TRP A 33 0.422 -11.306 3.370 1.00 0.00 C ATOM 0 H TRP A 33 -3.685 -6.802 -0.791 1.00 0.00 H new ATOM 0 HA TRP A 33 -1.887 -8.237 -2.616 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.154 -8.409 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.727 -6.807 -0.669 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.828 -7.060 1.395 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -2.766 -8.466 3.550 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.245 -9.970 0.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.214 -10.633 4.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 1.969 -11.723 1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.746 -12.071 4.060 1.00 0.00 H new ATOM 502 N ALA A 34 -2.450 -10.496 -1.301 1.00 0.00 N ATOM 503 CA ALA A 34 -2.900 -11.673 -0.549 1.00 0.00 C ATOM 504 C ALA A 34 -1.740 -12.612 -0.189 1.00 0.00 C ATOM 505 O ALA A 34 -0.820 -12.815 -0.982 1.00 0.00 O ATOM 506 CB ALA A 34 -3.978 -12.421 -1.343 1.00 0.00 C ATOM 0 H ALA A 34 -1.658 -10.677 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.325 -11.322 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.307 -13.293 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.827 -11.760 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.568 -12.742 -2.300 1.00 0.00 H new ATOM 512 N THR A 35 -1.821 -13.245 0.985 1.00 0.00 N ATOM 513 CA THR A 35 -0.772 -14.144 1.506 1.00 0.00 C ATOM 514 C THR A 35 -0.576 -15.420 0.671 1.00 0.00 C ATOM 515 O THR A 35 0.488 -16.038 0.721 1.00 0.00 O ATOM 516 CB THR A 35 -1.042 -14.458 2.988 1.00 0.00 C ATOM 517 OG1 THR A 35 0.123 -14.967 3.602 1.00 0.00 O ATOM 518 CG2 THR A 35 -2.177 -15.458 3.220 1.00 0.00 C ATOM 0 H THR A 35 -2.621 -13.151 1.610 1.00 0.00 H new ATOM 0 HA THR A 35 0.176 -13.613 1.422 1.00 0.00 H new ATOM 0 HB THR A 35 -1.346 -13.509 3.429 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.062 -15.161 4.545 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.302 -15.624 4.290 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.103 -15.061 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.935 -16.402 2.732 1.00 0.00 H new ATOM 526 N TRP A 36 -1.565 -15.802 -0.150 1.00 0.00 N ATOM 527 CA TRP A 36 -1.467 -16.939 -1.075 1.00 0.00 C ATOM 528 C TRP A 36 -0.676 -16.642 -2.363 1.00 0.00 C ATOM 529 O TRP A 36 -0.315 -17.575 -3.083 1.00 0.00 O ATOM 530 CB TRP A 36 -2.874 -17.479 -1.380 1.00 0.00 C ATOM 531 CG TRP A 36 -3.884 -16.546 -1.997 1.00 0.00 C ATOM 532 CD1 TRP A 36 -4.963 -16.041 -1.352 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.001 -16.067 -3.381 1.00 0.00 C ATOM 534 NE1 TRP A 36 -5.754 -15.340 -2.235 1.00 0.00 N ATOM 535 CE2 TRP A 36 -5.193 -15.285 -3.488 1.00 0.00 C ATOM 536 CE3 TRP A 36 -3.245 -16.225 -4.566 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -5.604 -14.683 -4.685 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -3.634 -15.604 -5.770 1.00 0.00 C ATOM 539 CH2 TRP A 36 -4.812 -14.840 -5.835 1.00 0.00 C ATOM 0 H TRP A 36 -2.465 -15.324 -0.190 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.882 -17.708 -0.570 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.763 -18.335 -2.046 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.295 -17.853 -0.447 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.172 -16.169 -0.300 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.647 -14.914 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.353 -16.833 -4.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.517 -14.107 -4.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.021 -15.716 -6.652 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.107 -14.376 -6.764 1.00 0.00 H new ATOM 550 N CYS A 37 -0.397 -15.369 -2.669 1.00 0.00 N ATOM 551 CA CYS A 37 0.237 -14.944 -3.919 1.00 0.00 C ATOM 552 C CYS A 37 1.752 -14.721 -3.739 1.00 0.00 C ATOM 553 O CYS A 37 2.182 -14.009 -2.830 1.00 0.00 O ATOM 554 CB CYS A 37 -0.527 -13.715 -4.435 1.00 0.00 C ATOM 555 SG CYS A 37 0.217 -13.079 -5.963 1.00 0.00 S ATOM 0 H CYS A 37 -0.610 -14.593 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 37 0.174 -15.725 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.569 -13.980 -4.617 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.525 -12.935 -3.673 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.566 -12.184 -6.487 1.00 0.00 H new ATOM 561 N GLY A 38 2.572 -15.310 -4.619 1.00 0.00 N ATOM 562 CA GLY A 38 4.042 -15.261 -4.545 1.00 0.00 C ATOM 563 C GLY A 38 4.617 -13.838 -4.611 1.00 0.00 C ATOM 564 O GLY A 38 5.289 -13.418 -3.668 1.00 0.00 O ATOM 0 H GLY A 38 2.228 -15.844 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.366 -15.731 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.458 -15.850 -5.363 1.00 0.00 H new ATOM 568 N PRO A 39 4.310 -13.042 -5.654 1.00 0.00 N ATOM 569 CA PRO A 39 4.689 -11.628 -5.730 1.00 0.00 C ATOM 570 C PRO A 39 4.171 -10.763 -4.564 1.00 0.00 C ATOM 571 O PRO A 39 4.854 -9.831 -4.136 1.00 0.00 O ATOM 572 CB PRO A 39 4.133 -11.152 -7.076 1.00 0.00 C ATOM 573 CG PRO A 39 4.176 -12.409 -7.940 1.00 0.00 C ATOM 574 CD PRO A 39 3.803 -13.501 -6.942 1.00 0.00 C ATOM 0 HA PRO A 39 5.771 -11.523 -5.651 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.118 -10.766 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.739 -10.351 -7.501 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.470 -12.357 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.163 -12.572 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.724 -13.650 -6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.248 -14.456 -7.221 1.00 0.00 H new ATOM 582 N CYS A 40 3.003 -11.084 -3.994 1.00 0.00 N ATOM 583 CA CYS A 40 2.490 -10.405 -2.798 1.00 0.00 C ATOM 584 C CYS A 40 3.355 -10.713 -1.561 1.00 0.00 C ATOM 585 O CYS A 40 3.752 -9.796 -0.840 1.00 0.00 O ATOM 586 CB CYS A 40 1.031 -10.814 -2.570 1.00 0.00 C ATOM 587 SG CYS A 40 -0.050 -10.113 -3.844 1.00 0.00 S ATOM 0 H CYS A 40 2.389 -11.818 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 40 2.538 -9.328 -2.957 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.949 -11.901 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.705 -10.477 -1.586 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.181 -10.964 -4.818 1.00 0.00 H new ATOM 593 N LYS A 41 3.718 -11.987 -1.355 1.00 0.00 N ATOM 594 CA LYS A 41 4.671 -12.426 -0.320 1.00 0.00 C ATOM 595 C LYS A 41 6.066 -11.809 -0.528 1.00 0.00 C ATOM 596 O LYS A 41 6.746 -11.491 0.444 1.00 0.00 O ATOM 597 CB LYS A 41 4.738 -13.967 -0.332 1.00 0.00 C ATOM 598 CG LYS A 41 5.365 -14.569 0.940 1.00 0.00 C ATOM 599 CD LYS A 41 4.363 -14.783 2.087 1.00 0.00 C ATOM 600 CE LYS A 41 3.474 -16.002 1.800 1.00 0.00 C ATOM 601 NZ LYS A 41 2.562 -16.312 2.929 1.00 0.00 N ATOM 0 H LYS A 41 3.351 -12.758 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 41 4.322 -12.080 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.730 -14.365 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.315 -14.290 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.825 -15.525 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.163 -13.912 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.899 -14.929 3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.744 -13.894 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.886 -15.817 0.901 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.104 -16.868 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.211 -17.286 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.077 -16.215 3.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.759 -15.652 2.918 1.00 0.00 H new ATOM 615 N MET A 42 6.471 -11.595 -1.784 1.00 0.00 N ATOM 616 CA MET A 42 7.764 -11.013 -2.165 1.00 0.00 C ATOM 617 C MET A 42 7.874 -9.518 -1.819 1.00 0.00 C ATOM 618 O MET A 42 8.909 -9.098 -1.304 1.00 0.00 O ATOM 619 CB MET A 42 7.999 -11.257 -3.664 1.00 0.00 C ATOM 620 CG MET A 42 9.420 -10.897 -4.119 1.00 0.00 C ATOM 621 SD MET A 42 9.692 -11.003 -5.912 1.00 0.00 S ATOM 622 CE MET A 42 9.460 -12.780 -6.199 1.00 0.00 C ATOM 0 H MET A 42 5.891 -11.829 -2.589 1.00 0.00 H new ATOM 0 HA MET A 42 8.542 -11.507 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.807 -12.306 -3.889 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.281 -10.671 -4.238 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.646 -9.883 -3.790 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.126 -11.559 -3.618 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.734 -13.022 -7.226 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.091 -13.345 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.415 -13.042 -6.031 1.00 0.00 H new ATOM 632 N VAL A 43 6.828 -8.712 -2.062 1.00 0.00 N ATOM 633 CA VAL A 43 6.851 -7.263 -1.752 1.00 0.00 C ATOM 634 C VAL A 43 6.559 -6.942 -0.276 1.00 0.00 C ATOM 635 O VAL A 43 7.023 -5.919 0.227 1.00 0.00 O ATOM 636 CB VAL A 43 5.950 -6.477 -2.726 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.453 -6.619 -2.424 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.312 -4.988 -2.773 1.00 0.00 C ATOM 0 H VAL A 43 5.952 -9.035 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 43 7.876 -6.926 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 43 6.140 -6.928 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.879 -6.040 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.167 -7.669 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.248 -6.249 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.651 -4.475 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.197 -4.554 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.345 -4.875 -3.101 1.00 0.00 H new ATOM 648 N ALA A 44 5.855 -7.820 0.448 1.00 0.00 N ATOM 649 CA ALA A 44 5.519 -7.643 1.867 1.00 0.00 C ATOM 650 C ALA A 44 6.712 -7.296 2.793 1.00 0.00 C ATOM 651 O ALA A 44 6.601 -6.298 3.508 1.00 0.00 O ATOM 652 CB ALA A 44 4.743 -8.879 2.348 1.00 0.00 C ATOM 0 H ALA A 44 5.496 -8.691 0.057 1.00 0.00 H new ATOM 0 HA ALA A 44 4.893 -6.754 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.487 -8.761 3.401 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.830 -8.986 1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.361 -9.768 2.222 1.00 0.00 H new ATOM 658 N PRO A 45 7.864 -8.005 2.789 1.00 0.00 N ATOM 659 CA PRO A 45 9.015 -7.631 3.620 1.00 0.00 C ATOM 660 C PRO A 45 9.674 -6.312 3.181 1.00 0.00 C ATOM 661 O PRO A 45 10.235 -5.603 4.013 1.00 0.00 O ATOM 662 CB PRO A 45 9.989 -8.810 3.527 1.00 0.00 C ATOM 663 CG PRO A 45 9.664 -9.436 2.173 1.00 0.00 C ATOM 664 CD PRO A 45 8.154 -9.242 2.079 1.00 0.00 C ATOM 0 HA PRO A 45 8.700 -7.443 4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.026 -8.479 3.577 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.841 -9.518 4.342 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.189 -8.938 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.942 -10.489 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.832 -9.180 1.039 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.624 -10.083 2.527 1.00 0.00 H new ATOM 672 N VAL A 46 9.576 -5.942 1.898 1.00 0.00 N ATOM 673 CA VAL A 46 10.129 -4.681 1.364 1.00 0.00 C ATOM 674 C VAL A 46 9.292 -3.482 1.838 1.00 0.00 C ATOM 675 O VAL A 46 9.831 -2.464 2.283 1.00 0.00 O ATOM 676 CB VAL A 46 10.236 -4.722 -0.179 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.149 -3.611 -0.664 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.824 -6.047 -0.686 1.00 0.00 C ATOM 0 H VAL A 46 9.108 -6.510 1.192 1.00 0.00 H new ATOM 0 HA VAL A 46 11.140 -4.562 1.753 1.00 0.00 H new ATOM 0 HB VAL A 46 9.223 -4.607 -0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.219 -3.646 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.743 -2.647 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.141 -3.741 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.879 -6.028 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.824 -6.182 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.187 -6.873 -0.370 1.00 0.00 H new ATOM 688 N LEU A 47 7.965 -3.635 1.836 1.00 0.00 N ATOM 689 CA LEU A 47 7.028 -2.688 2.445 1.00 0.00 C ATOM 690 C LEU A 47 7.145 -2.643 3.972 1.00 0.00 C ATOM 691 O LEU A 47 7.028 -1.568 4.549 1.00 0.00 O ATOM 692 CB LEU A 47 5.598 -3.067 2.035 1.00 0.00 C ATOM 693 CG LEU A 47 5.233 -2.601 0.618 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.981 -3.342 0.172 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.950 -1.098 0.574 1.00 0.00 C ATOM 0 H LEU A 47 7.504 -4.435 1.403 1.00 0.00 H new ATOM 0 HA LEU A 47 7.277 -1.691 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.484 -4.149 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.895 -2.632 2.746 1.00 0.00 H new ATOM 0 HG LEU A 47 6.076 -2.811 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.708 -3.022 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.174 -4.415 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.163 -3.120 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.695 -0.805 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.117 -0.865 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.836 -0.551 0.898 1.00 0.00 H new ATOM 707 N GLU A 48 7.411 -3.769 4.639 1.00 0.00 N ATOM 708 CA GLU A 48 7.638 -3.804 6.088 1.00 0.00 C ATOM 709 C GLU A 48 8.929 -3.056 6.475 1.00 0.00 C ATOM 710 O GLU A 48 8.932 -2.265 7.423 1.00 0.00 O ATOM 711 CB GLU A 48 7.653 -5.265 6.566 1.00 0.00 C ATOM 712 CG GLU A 48 7.480 -5.368 8.081 1.00 0.00 C ATOM 713 CD GLU A 48 7.508 -6.837 8.542 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.612 -7.390 8.770 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.423 -7.455 8.683 1.00 0.00 O ATOM 0 H GLU A 48 7.475 -4.683 4.191 1.00 0.00 H new ATOM 0 HA GLU A 48 6.822 -3.284 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.855 -5.818 6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.593 -5.733 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.274 -4.812 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.536 -4.909 8.375 1.00 0.00 H new ATOM 722 N GLU A 49 10.002 -3.209 5.689 1.00 0.00 N ATOM 723 CA GLU A 49 11.194 -2.367 5.799 1.00 0.00 C ATOM 724 C GLU A 49 10.862 -0.886 5.603 1.00 0.00 C ATOM 725 O GLU A 49 11.233 -0.085 6.457 1.00 0.00 O ATOM 726 CB GLU A 49 12.280 -2.790 4.800 1.00 0.00 C ATOM 727 CG GLU A 49 13.104 -3.975 5.313 1.00 0.00 C ATOM 728 CD GLU A 49 14.243 -4.334 4.338 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.983 -3.416 3.903 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.423 -5.535 4.021 1.00 0.00 O ATOM 0 H GLU A 49 10.066 -3.920 4.960 1.00 0.00 H new ATOM 0 HA GLU A 49 11.577 -2.505 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.815 -3.056 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.942 -1.946 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.522 -3.733 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.454 -4.840 5.450 1.00 0.00 H new ATOM 737 N ILE A 50 10.130 -0.489 4.551 1.00 0.00 N ATOM 738 CA ILE A 50 9.814 0.939 4.368 1.00 0.00 C ATOM 739 C ILE A 50 8.878 1.485 5.464 1.00 0.00 C ATOM 740 O ILE A 50 9.051 2.619 5.906 1.00 0.00 O ATOM 741 CB ILE A 50 9.362 1.253 2.919 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.086 2.514 2.402 1.00 0.00 C ATOM 743 CG2 ILE A 50 7.849 1.464 2.770 1.00 0.00 C ATOM 744 CD1 ILE A 50 11.543 2.237 2.017 1.00 0.00 C ATOM 0 H ILE A 50 9.756 -1.111 3.835 1.00 0.00 H new ATOM 0 HA ILE A 50 10.741 1.497 4.503 1.00 0.00 H new ATOM 0 HB ILE A 50 9.625 0.374 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 50 9.553 2.906 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.057 3.287 3.170 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.613 1.679 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.323 0.562 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.535 2.301 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 50 12.006 3.157 1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.086 1.872 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.574 1.485 1.228 1.00 0.00 H new ATOM 756 N ALA A 51 7.956 0.671 5.987 1.00 0.00 N ATOM 757 CA ALA A 51 7.114 1.017 7.132 1.00 0.00 C ATOM 758 C ALA A 51 7.943 1.278 8.395 1.00 0.00 C ATOM 759 O ALA A 51 7.642 2.176 9.178 1.00 0.00 O ATOM 760 CB ALA A 51 6.144 -0.141 7.391 1.00 0.00 C ATOM 0 H ALA A 51 7.772 -0.262 5.619 1.00 0.00 H new ATOM 0 HA ALA A 51 6.574 1.935 6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.508 0.101 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.524 -0.301 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.709 -1.048 7.606 1.00 0.00 H new ATOM 766 N THR A 52 8.979 0.473 8.610 1.00 0.00 N ATOM 767 CA THR A 52 9.879 0.591 9.769 1.00 0.00 C ATOM 768 C THR A 52 10.862 1.757 9.619 1.00 0.00 C ATOM 769 O THR A 52 11.011 2.574 10.526 1.00 0.00 O ATOM 770 CB THR A 52 10.646 -0.725 9.996 1.00 0.00 C ATOM 771 OG1 THR A 52 9.752 -1.817 10.030 1.00 0.00 O ATOM 772 CG2 THR A 52 11.392 -0.743 11.328 1.00 0.00 C ATOM 0 H THR A 52 9.226 -0.291 7.981 1.00 0.00 H new ATOM 0 HA THR A 52 9.256 0.796 10.639 1.00 0.00 H new ATOM 0 HB THR A 52 11.354 -0.801 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.435 -2.009 9.123 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.916 -1.692 11.439 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.113 0.074 11.352 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.681 -0.624 12.145 1.00 0.00 H new ATOM 780 N GLU A 53 11.534 1.856 8.469 1.00 0.00 N ATOM 781 CA GLU A 53 12.649 2.782 8.233 1.00 0.00 C ATOM 782 C GLU A 53 12.223 4.190 7.790 1.00 0.00 C ATOM 783 O GLU A 53 12.997 5.135 7.960 1.00 0.00 O ATOM 784 CB GLU A 53 13.630 2.173 7.218 1.00 0.00 C ATOM 785 CG GLU A 53 14.212 0.835 7.697 1.00 0.00 C ATOM 786 CD GLU A 53 15.432 0.433 6.849 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.279 0.252 5.618 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.548 0.296 7.407 1.00 0.00 O ATOM 0 H GLU A 53 11.314 1.281 7.656 1.00 0.00 H new ATOM 0 HA GLU A 53 13.137 2.917 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.119 2.024 6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.443 2.876 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.502 0.914 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.449 0.059 7.635 1.00 0.00 H new ATOM 795 N ARG A 54 11.009 4.347 7.240 1.00 0.00 N ATOM 796 CA ARG A 54 10.369 5.630 6.881 1.00 0.00 C ATOM 797 C ARG A 54 9.088 5.892 7.675 1.00 0.00 C ATOM 798 O ARG A 54 8.198 6.586 7.191 1.00 0.00 O ATOM 799 CB ARG A 54 10.158 5.741 5.353 1.00 0.00 C ATOM 800 CG ARG A 54 11.438 5.874 4.515 1.00 0.00 C ATOM 801 CD ARG A 54 12.185 7.190 4.779 1.00 0.00 C ATOM 802 NE ARG A 54 13.070 7.097 5.951 1.00 0.00 N ATOM 803 CZ ARG A 54 13.631 8.065 6.648 1.00 0.00 C ATOM 804 NH1 ARG A 54 13.462 9.329 6.395 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.378 7.747 7.663 1.00 0.00 N ATOM 0 H ARG A 54 10.415 3.547 7.022 1.00 0.00 H new ATOM 0 HA ARG A 54 11.057 6.425 7.169 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.613 4.860 5.014 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.523 6.604 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.099 5.035 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.183 5.812 3.457 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.774 7.455 3.901 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.463 7.992 4.933 1.00 0.00 H new ATOM 0 HE ARG A 54 13.279 6.150 6.269 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.867 9.619 5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.925 10.031 6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.519 6.766 7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.823 8.478 8.218 1.00 0.00 H new ATOM 819 N ALA A 55 9.012 5.412 8.918 1.00 0.00 N ATOM 820 CA ALA A 55 7.887 5.649 9.832 1.00 0.00 C ATOM 821 C ALA A 55 7.507 7.141 9.994 1.00 0.00 C ATOM 822 O ALA A 55 6.343 7.464 10.243 1.00 0.00 O ATOM 823 CB ALA A 55 8.265 5.042 11.190 1.00 0.00 C ATOM 0 H ALA A 55 9.746 4.835 9.328 1.00 0.00 H new ATOM 0 HA ALA A 55 7.000 5.178 9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.451 5.199 11.898 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.444 3.973 11.074 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.169 5.522 11.564 1.00 0.00 H new ATOM 829 N THR A 56 8.467 8.057 9.826 1.00 0.00 N ATOM 830 CA THR A 56 8.279 9.518 9.874 1.00 0.00 C ATOM 831 C THR A 56 7.749 10.130 8.569 1.00 0.00 C ATOM 832 O THR A 56 7.036 11.133 8.619 1.00 0.00 O ATOM 833 CB THR A 56 9.611 10.202 10.229 1.00 0.00 C ATOM 834 OG1 THR A 56 10.648 9.696 9.408 1.00 0.00 O ATOM 835 CG2 THR A 56 10.010 9.943 11.681 1.00 0.00 C ATOM 0 H THR A 56 9.436 7.794 9.646 1.00 0.00 H new ATOM 0 HA THR A 56 7.520 9.692 10.637 1.00 0.00 H new ATOM 0 HB THR A 56 9.470 11.272 10.075 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.492 10.137 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.955 10.442 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.238 10.331 12.345 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.122 8.871 11.842 1.00 0.00 H new ATOM 843 N ASP A 57 8.051 9.536 7.408 1.00 0.00 N ATOM 844 CA ASP A 57 7.694 10.062 6.077 1.00 0.00 C ATOM 845 C ASP A 57 6.487 9.357 5.436 1.00 0.00 C ATOM 846 O ASP A 57 5.771 9.966 4.642 1.00 0.00 O ATOM 847 CB ASP A 57 8.905 9.959 5.136 1.00 0.00 C ATOM 848 CG ASP A 57 10.039 10.937 5.483 1.00 0.00 C ATOM 849 OD1 ASP A 57 9.760 12.113 5.810 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.225 10.547 5.365 1.00 0.00 O ATOM 0 H ASP A 57 8.563 8.655 7.363 1.00 0.00 H new ATOM 0 HA ASP A 57 7.405 11.102 6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.293 8.941 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.577 10.145 4.113 1.00 0.00 H new ATOM 855 N LEU A 58 6.244 8.092 5.792 1.00 0.00 N ATOM 856 CA LEU A 58 5.166 7.241 5.288 1.00 0.00 C ATOM 857 C LEU A 58 4.404 6.602 6.458 1.00 0.00 C ATOM 858 O LEU A 58 4.985 6.264 7.491 1.00 0.00 O ATOM 859 CB LEU A 58 5.742 6.119 4.389 1.00 0.00 C ATOM 860 CG LEU A 58 6.540 6.549 3.147 1.00 0.00 C ATOM 861 CD1 LEU A 58 7.153 5.321 2.473 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.667 7.265 2.121 1.00 0.00 C ATOM 0 H LEU A 58 6.826 7.610 6.477 1.00 0.00 H new ATOM 0 HA LEU A 58 4.486 7.861 4.704 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.388 5.492 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.913 5.494 4.057 1.00 0.00 H new ATOM 0 HG LEU A 58 7.314 7.236 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.717 5.632 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.820 4.817 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.359 4.637 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.274 7.550 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.867 6.599 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.235 8.158 2.571 1.00 0.00 H new ATOM 874 N THR A 59 3.110 6.363 6.263 1.00 0.00 N ATOM 875 CA THR A 59 2.370 5.300 6.964 1.00 0.00 C ATOM 876 C THR A 59 2.056 4.205 5.948 1.00 0.00 C ATOM 877 O THR A 59 1.597 4.509 4.846 1.00 0.00 O ATOM 878 CB THR A 59 1.099 5.839 7.634 1.00 0.00 C ATOM 879 OG1 THR A 59 1.460 6.793 8.613 1.00 0.00 O ATOM 880 CG2 THR A 59 0.311 4.750 8.363 1.00 0.00 C ATOM 0 H THR A 59 2.536 6.900 5.613 1.00 0.00 H new ATOM 0 HA THR A 59 2.979 4.893 7.771 1.00 0.00 H new ATOM 0 HB THR A 59 0.483 6.260 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.652 7.142 9.043 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.578 5.187 8.818 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.013 3.979 7.652 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.935 4.307 9.139 1.00 0.00 H new ATOM 888 N VAL A 60 2.327 2.943 6.287 1.00 0.00 N ATOM 889 CA VAL A 60 2.170 1.803 5.368 1.00 0.00 C ATOM 890 C VAL A 60 0.938 0.983 5.762 1.00 0.00 C ATOM 891 O VAL A 60 0.763 0.631 6.926 1.00 0.00 O ATOM 892 CB VAL A 60 3.467 0.971 5.297 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.298 -0.296 4.449 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.586 1.806 4.658 1.00 0.00 C ATOM 0 H VAL A 60 2.664 2.677 7.212 1.00 0.00 H new ATOM 0 HA VAL A 60 1.997 2.168 4.355 1.00 0.00 H new ATOM 0 HB VAL A 60 3.713 0.686 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.237 -0.848 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.518 -0.922 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.018 -0.019 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.500 1.214 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.291 2.100 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.763 2.698 5.259 1.00 0.00 H new ATOM 904 N ALA A 61 0.068 0.682 4.803 1.00 0.00 N ATOM 905 CA ALA A 61 -1.234 0.061 5.022 1.00 0.00 C ATOM 906 C ALA A 61 -1.439 -1.194 4.155 1.00 0.00 C ATOM 907 O ALA A 61 -0.959 -1.261 3.022 1.00 0.00 O ATOM 908 CB ALA A 61 -2.317 1.118 4.780 1.00 0.00 C ATOM 0 H ALA A 61 0.256 0.870 3.818 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.296 -0.293 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.300 0.675 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.177 1.948 5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.245 1.485 3.756 1.00 0.00 H new ATOM 914 N LYS A 62 -2.173 -2.180 4.681 1.00 0.00 N ATOM 915 CA LYS A 62 -2.430 -3.485 4.044 1.00 0.00 C ATOM 916 C LYS A 62 -3.927 -3.730 3.821 1.00 0.00 C ATOM 917 O LYS A 62 -4.732 -3.501 4.727 1.00 0.00 O ATOM 918 CB LYS A 62 -1.821 -4.607 4.909 1.00 0.00 C ATOM 919 CG LYS A 62 -0.296 -4.521 5.123 1.00 0.00 C ATOM 920 CD LYS A 62 0.553 -4.847 3.884 1.00 0.00 C ATOM 921 CE LYS A 62 0.423 -6.327 3.501 1.00 0.00 C ATOM 922 NZ LYS A 62 1.391 -6.707 2.445 1.00 0.00 N ATOM 0 H LYS A 62 -2.622 -2.093 5.593 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.958 -3.482 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.309 -4.597 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.053 -5.566 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.048 -3.515 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.018 -5.204 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.237 -4.223 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.598 -4.610 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.585 -6.947 4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.591 -6.525 3.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.044 -7.549 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.497 -5.921 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.312 -6.918 2.878 1.00 0.00 H new ATOM 936 N LEU A 63 -4.283 -4.242 2.642 1.00 0.00 N ATOM 937 CA LEU A 63 -5.627 -4.722 2.288 1.00 0.00 C ATOM 938 C LEU A 63 -5.530 -6.113 1.660 1.00 0.00 C ATOM 939 O LEU A 63 -4.946 -6.287 0.590 1.00 0.00 O ATOM 940 CB LEU A 63 -6.285 -3.684 1.356 1.00 0.00 C ATOM 941 CG LEU A 63 -7.692 -3.977 0.785 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.754 -5.066 -0.290 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.712 -4.343 1.857 1.00 0.00 C ATOM 0 H LEU A 63 -3.619 -4.339 1.874 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.256 -4.825 3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.340 -2.741 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.613 -3.526 0.512 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.943 -3.023 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.785 -5.192 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.133 -4.776 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.388 -6.006 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.678 -4.536 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.380 -5.236 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.809 -3.518 2.563 1.00 0.00 H new ATOM 955 N ASP A 64 -6.125 -7.099 2.327 1.00 0.00 N ATOM 956 CA ASP A 64 -6.190 -8.483 1.864 1.00 0.00 C ATOM 957 C ASP A 64 -7.332 -8.661 0.850 1.00 0.00 C ATOM 958 O ASP A 64 -8.509 -8.701 1.218 1.00 0.00 O ATOM 959 CB ASP A 64 -6.352 -9.417 3.069 1.00 0.00 C ATOM 960 CG ASP A 64 -5.005 -9.746 3.723 1.00 0.00 C ATOM 961 OD1 ASP A 64 -4.453 -8.871 4.434 1.00 0.00 O ATOM 962 OD2 ASP A 64 -4.500 -10.875 3.529 1.00 0.00 O ATOM 0 H ASP A 64 -6.586 -6.955 3.225 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.262 -8.740 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.008 -8.951 3.804 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.836 -10.340 2.750 1.00 0.00 H new ATOM 967 N VAL A 65 -6.993 -8.792 -0.437 1.00 0.00 N ATOM 968 CA VAL A 65 -7.985 -8.917 -1.527 1.00 0.00 C ATOM 969 C VAL A 65 -8.809 -10.207 -1.432 1.00 0.00 C ATOM 970 O VAL A 65 -9.908 -10.291 -1.978 1.00 0.00 O ATOM 971 CB VAL A 65 -7.342 -8.795 -2.925 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.536 -7.497 -3.061 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.437 -9.964 -3.327 1.00 0.00 C ATOM 0 H VAL A 65 -6.026 -8.815 -0.759 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.667 -8.077 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.196 -8.800 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.097 -7.444 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.195 -6.642 -2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.742 -7.481 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.033 -9.786 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.617 -10.052 -2.614 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.016 -10.888 -3.330 1.00 0.00 H new ATOM 983 N ASP A 66 -8.292 -11.203 -0.708 1.00 0.00 N ATOM 984 CA ASP A 66 -8.934 -12.495 -0.467 1.00 0.00 C ATOM 985 C ASP A 66 -10.106 -12.416 0.532 1.00 0.00 C ATOM 986 O ASP A 66 -11.042 -13.214 0.443 1.00 0.00 O ATOM 987 CB ASP A 66 -7.861 -13.467 0.038 1.00 0.00 C ATOM 988 CG ASP A 66 -8.353 -14.918 -0.008 1.00 0.00 C ATOM 989 OD1 ASP A 66 -8.470 -15.457 -1.135 1.00 0.00 O ATOM 990 OD2 ASP A 66 -8.580 -15.527 1.064 1.00 0.00 O ATOM 0 H ASP A 66 -7.380 -11.127 -0.257 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.371 -12.842 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.962 -13.367 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.585 -13.207 1.060 1.00 0.00 H new ATOM 995 N THR A 67 -10.077 -11.450 1.461 1.00 0.00 N ATOM 996 CA THR A 67 -11.104 -11.268 2.508 1.00 0.00 C ATOM 997 C THR A 67 -11.925 -9.985 2.345 1.00 0.00 C ATOM 998 O THR A 67 -13.066 -9.939 2.811 1.00 0.00 O ATOM 999 CB THR A 67 -10.491 -11.312 3.918 1.00 0.00 C ATOM 1000 OG1 THR A 67 -9.520 -10.301 4.070 1.00 0.00 O ATOM 1001 CG2 THR A 67 -9.820 -12.653 4.218 1.00 0.00 C ATOM 0 H THR A 67 -9.328 -10.759 1.511 1.00 0.00 H new ATOM 0 HA THR A 67 -11.787 -12.108 2.383 1.00 0.00 H new ATOM 0 HB THR A 67 -11.318 -11.163 4.613 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.142 -10.343 4.973 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.403 -12.634 5.225 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.557 -13.453 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.021 -12.829 3.498 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.412 -8.973 1.633 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.175 -7.800 1.199 1.00 0.00 C ATOM 1011 C ASN A 68 -11.920 -7.475 -0.294 1.00 0.00 C ATOM 1012 O ASN A 68 -10.994 -6.726 -0.623 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.869 -6.627 2.147 1.00 0.00 C ATOM 1014 CG ASN A 68 -12.798 -5.455 1.890 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.701 -4.756 0.892 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -13.764 -5.221 2.746 1.00 0.00 N ATOM 0 H ASN A 68 -10.436 -8.948 1.338 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.243 -8.007 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.972 -6.956 3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.835 -6.310 2.015 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.424 -4.462 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.855 -5.798 3.582 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.754 -7.999 -1.215 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.709 -7.641 -2.636 1.00 0.00 C ATOM 1025 C PRO A 69 -13.212 -6.219 -2.935 1.00 0.00 C ATOM 1026 O PRO A 69 -12.905 -5.667 -3.991 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.582 -8.684 -3.350 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.661 -9.850 -2.366 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.642 -9.136 -1.020 1.00 0.00 C ATOM 0 HA PRO A 69 -11.675 -7.643 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -14.572 -8.287 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.139 -8.992 -4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.569 -10.437 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.819 -10.534 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.642 -8.812 -0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.277 -9.792 -0.229 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.984 -5.605 -2.033 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.668 -4.327 -2.279 1.00 0.00 C ATOM 1039 C GLU A 70 -13.680 -3.160 -2.420 1.00 0.00 C ATOM 1040 O GLU A 70 -13.795 -2.350 -3.342 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.678 -4.039 -1.150 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.650 -5.193 -0.846 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.375 -5.693 -2.107 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.132 -4.917 -2.735 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.154 -6.850 -2.531 1.00 0.00 O ATOM 0 H GLU A 70 -14.155 -5.983 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.200 -4.418 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.127 -3.797 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.257 -3.155 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.100 -6.019 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.386 -4.862 -0.114 1.00 0.00 H new ATOM 1052 N THR A 71 -12.658 -3.121 -1.559 1.00 0.00 N ATOM 1053 CA THR A 71 -11.583 -2.114 -1.606 1.00 0.00 C ATOM 1054 C THR A 71 -10.718 -2.283 -2.860 1.00 0.00 C ATOM 1055 O THR A 71 -10.299 -1.294 -3.462 1.00 0.00 O ATOM 1056 CB THR A 71 -10.693 -2.170 -0.356 1.00 0.00 C ATOM 1057 OG1 THR A 71 -11.436 -2.359 0.829 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.924 -0.865 -0.147 1.00 0.00 C ATOM 0 H THR A 71 -12.549 -3.794 -0.800 1.00 0.00 H new ATOM 0 HA THR A 71 -12.070 -1.139 -1.639 1.00 0.00 H new ATOM 0 HB THR A 71 -10.023 -3.010 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.742 -3.289 0.878 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.306 -0.946 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.288 -0.675 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.629 -0.042 -0.028 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.502 -3.528 -3.306 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.801 -3.821 -4.554 1.00 0.00 C ATOM 1068 C ALA A 72 -10.589 -3.340 -5.782 1.00 0.00 C ATOM 1069 O ALA A 72 -10.028 -2.690 -6.667 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.482 -5.321 -4.610 1.00 0.00 C ATOM 0 H ALA A 72 -10.812 -4.361 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.863 -3.267 -4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.959 -5.547 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.851 -5.591 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.409 -5.892 -4.568 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.899 -3.614 -5.821 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.751 -3.317 -6.979 1.00 0.00 C ATOM 1078 C ARG A 73 -13.036 -1.823 -7.148 1.00 0.00 C ATOM 1079 O ARG A 73 -12.976 -1.324 -8.270 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.054 -4.128 -6.863 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.770 -4.297 -8.216 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.212 -4.815 -8.081 1.00 0.00 C ATOM 1083 NE ARG A 73 -16.316 -6.000 -7.201 1.00 0.00 N ATOM 1084 CZ ARG A 73 -16.766 -6.028 -5.955 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -17.262 -4.977 -5.370 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -16.720 -7.122 -5.257 1.00 0.00 N ATOM 0 H ARG A 73 -12.400 -4.050 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.211 -3.612 -7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.830 -5.111 -6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.725 -3.632 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.783 -3.338 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.200 -4.988 -8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.844 -4.019 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.597 -5.067 -9.069 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.009 -6.889 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.315 -4.091 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.598 -5.039 -4.409 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.334 -7.973 -5.667 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.070 -7.131 -4.299 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.305 -1.094 -6.058 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.738 0.312 -6.114 1.00 0.00 C ATOM 1102 C ASN A 74 -12.680 1.239 -6.755 1.00 0.00 C ATOM 1103 O ASN A 74 -13.016 2.115 -7.555 1.00 0.00 O ATOM 1104 CB ASN A 74 -14.126 0.767 -4.692 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.851 2.109 -4.648 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.289 2.665 -5.646 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -15.042 2.669 -3.479 1.00 0.00 N ATOM 0 H ASN A 74 -13.229 -1.461 -5.109 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.608 0.384 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.762 0.007 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.224 0.832 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.548 3.552 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.685 2.222 -2.635 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.394 1.000 -6.474 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.263 1.737 -7.064 1.00 0.00 C ATOM 1116 C PHE A 75 -9.631 1.012 -8.273 1.00 0.00 C ATOM 1117 O PHE A 75 -8.566 1.405 -8.755 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.241 2.059 -5.959 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.841 2.685 -4.709 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -10.542 3.905 -4.793 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.731 2.031 -3.467 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -11.141 4.457 -3.647 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -10.331 2.583 -2.321 1.00 0.00 C ATOM 1124 CZ PHE A 75 -11.039 3.794 -2.411 1.00 0.00 C ATOM 0 H PHE A 75 -11.101 0.276 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.639 2.673 -7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.726 1.140 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.488 2.736 -6.364 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.619 4.417 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.184 1.103 -3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.680 5.391 -3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.248 2.076 -1.371 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.504 4.215 -1.532 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.254 -0.082 -8.734 1.00 0.00 N ATOM 1135 CA GLN A 76 -9.735 -1.048 -9.714 1.00 0.00 C ATOM 1136 C GLN A 76 -8.266 -1.461 -9.486 1.00 0.00 C ATOM 1137 O GLN A 76 -7.515 -1.709 -10.428 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.126 -0.682 -11.158 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.453 0.592 -11.667 1.00 0.00 C ATOM 1140 CD GLN A 76 -9.671 0.805 -13.163 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -10.509 1.587 -13.595 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -8.936 0.119 -14.016 1.00 0.00 N ATOM 0 H GLN A 76 -11.190 -0.331 -8.414 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.253 -1.989 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.865 -1.510 -11.818 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.208 -0.559 -11.213 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.843 1.450 -11.120 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.384 0.542 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.234 -0.536 -13.672 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.070 0.244 -15.020 1.00 0.00 H new ATOM 1151 N VAL A 77 -7.839 -1.545 -8.223 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.513 -2.016 -7.769 1.00 0.00 C ATOM 1153 C VAL A 77 -6.507 -3.548 -7.629 1.00 0.00 C ATOM 1154 O VAL A 77 -6.051 -4.119 -6.639 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.054 -1.266 -6.497 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.781 0.212 -6.798 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -7.053 -1.351 -5.338 1.00 0.00 C ATOM 0 H VAL A 77 -8.436 -1.273 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.768 -1.776 -8.527 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.139 -1.769 -6.185 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.460 0.716 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.997 0.291 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.691 0.682 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.663 -0.802 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.004 -0.917 -5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.203 -2.395 -5.063 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.091 -4.215 -8.631 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.432 -5.648 -8.626 1.00 0.00 C ATOM 1169 C VAL A 78 -6.274 -6.568 -9.049 1.00 0.00 C ATOM 1170 O VAL A 78 -6.339 -7.778 -8.822 1.00 0.00 O ATOM 1171 CB VAL A 78 -8.681 -5.922 -9.488 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.930 -5.270 -8.884 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -8.533 -5.452 -10.942 1.00 0.00 C ATOM 0 H VAL A 78 -7.351 -3.756 -9.504 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.649 -5.893 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.790 -7.006 -9.495 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.793 -5.482 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.104 -5.672 -7.886 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.783 -4.192 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.447 -5.676 -11.492 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.352 -4.377 -10.960 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.694 -5.969 -11.408 1.00 0.00 H new ATOM 1183 N SER A 79 -5.210 -6.014 -9.643 1.00 0.00 N ATOM 1184 CA SER A 79 -3.959 -6.742 -9.916 1.00 0.00 C ATOM 1185 C SER A 79 -3.185 -7.014 -8.618 1.00 0.00 C ATOM 1186 O SER A 79 -3.362 -6.304 -7.623 1.00 0.00 O ATOM 1187 CB SER A 79 -3.099 -5.976 -10.926 1.00 0.00 C ATOM 1188 OG SER A 79 -2.062 -6.817 -11.404 1.00 0.00 O ATOM 0 H SER A 79 -5.190 -5.042 -9.951 1.00 0.00 H new ATOM 0 HA SER A 79 -4.214 -7.707 -10.354 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.715 -5.633 -11.757 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.674 -5.088 -10.457 1.00 0.00 H new ATOM 0 HG SER A 79 -1.514 -6.325 -12.051 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.340 -8.049 -8.601 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.739 -8.581 -7.369 1.00 0.00 C ATOM 1196 C ILE A 80 -0.205 -8.739 -7.448 1.00 0.00 C ATOM 1197 O ILE A 80 0.288 -9.490 -8.294 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.445 -9.884 -6.911 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.625 -10.924 -8.045 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -3.790 -9.526 -6.252 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.272 -12.238 -7.592 1.00 0.00 C ATOM 0 H ILE A 80 -2.051 -8.545 -9.444 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.907 -7.828 -6.599 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.796 -10.371 -6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.235 -10.484 -8.834 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.650 -11.143 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.291 -10.438 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.613 -8.883 -5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.420 -9.002 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.362 -12.912 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.652 -12.703 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.262 -12.034 -7.184 1.00 0.00 H new ATOM 1213 N PRO A 81 0.565 -8.082 -6.552 1.00 0.00 N ATOM 1214 CA PRO A 81 0.158 -6.964 -5.691 1.00 0.00 C ATOM 1215 C PRO A 81 -0.147 -5.696 -6.510 1.00 0.00 C ATOM 1216 O PRO A 81 0.320 -5.549 -7.642 1.00 0.00 O ATOM 1217 CB PRO A 81 1.342 -6.733 -4.743 1.00 0.00 C ATOM 1218 CG PRO A 81 2.539 -7.141 -5.596 1.00 0.00 C ATOM 1219 CD PRO A 81 1.988 -8.325 -6.384 1.00 0.00 C ATOM 0 HA PRO A 81 -0.761 -7.194 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.408 -5.693 -4.424 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.262 -7.339 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.866 -6.333 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.397 -7.423 -4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.484 -8.412 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.162 -9.260 -5.852 1.00 0.00 H new ATOM 1227 N THR A 82 -0.869 -4.748 -5.912 1.00 0.00 N ATOM 1228 CA THR A 82 -0.941 -3.344 -6.361 1.00 0.00 C ATOM 1229 C THR A 82 -0.611 -2.436 -5.182 1.00 0.00 C ATOM 1230 O THR A 82 -1.139 -2.625 -4.089 1.00 0.00 O ATOM 1231 CB THR A 82 -2.329 -2.976 -6.919 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.631 -3.728 -8.068 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.429 -1.506 -7.344 1.00 0.00 C ATOM 0 H THR A 82 -1.435 -4.932 -5.083 1.00 0.00 H new ATOM 0 HA THR A 82 -0.222 -3.212 -7.170 1.00 0.00 H new ATOM 0 HB THR A 82 -3.021 -3.182 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.927 -4.624 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.429 -1.306 -7.729 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.236 -0.865 -6.484 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.693 -1.301 -8.122 1.00 0.00 H new ATOM 1241 N LEU A 83 0.235 -1.434 -5.400 1.00 0.00 N ATOM 1242 CA LEU A 83 0.569 -0.398 -4.428 1.00 0.00 C ATOM 1243 C LEU A 83 0.033 0.945 -4.937 1.00 0.00 C ATOM 1244 O LEU A 83 0.281 1.323 -6.087 1.00 0.00 O ATOM 1245 CB LEU A 83 2.092 -0.318 -4.203 1.00 0.00 C ATOM 1246 CG LEU A 83 2.791 -1.490 -3.485 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.774 -2.822 -4.239 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.265 -1.119 -3.308 1.00 0.00 C ATOM 0 H LEU A 83 0.723 -1.317 -6.288 1.00 0.00 H new ATOM 0 HA LEU A 83 0.109 -0.643 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.565 -0.196 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.296 0.589 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 83 2.241 -1.636 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.290 -3.580 -3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.743 -3.133 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.277 -2.703 -5.199 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.786 -1.931 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.718 -0.951 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.342 -0.210 -2.711 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.655 1.681 -4.067 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.022 3.090 -4.264 1.00 0.00 C ATOM 1262 C ILE A 84 -0.328 3.949 -3.198 1.00 0.00 C ATOM 1263 O ILE A 84 -0.166 3.509 -2.058 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.563 3.260 -4.276 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.053 4.562 -4.943 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.143 3.190 -2.859 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -3.094 4.435 -6.466 1.00 0.00 C ATOM 0 H ILE A 84 -0.985 1.306 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.675 3.434 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.923 2.427 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.047 4.810 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.394 5.384 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.225 3.313 -2.902 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.905 2.223 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.712 3.984 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.444 5.372 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.094 4.213 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.773 3.630 -6.746 1.00 0.00 H new ATOM 1279 N LEU A 85 0.055 5.181 -3.534 1.00 0.00 N ATOM 1280 CA LEU A 85 0.446 6.196 -2.552 1.00 0.00 C ATOM 1281 C LEU A 85 -0.405 7.456 -2.718 1.00 0.00 C ATOM 1282 O LEU A 85 -0.548 7.967 -3.831 1.00 0.00 O ATOM 1283 CB LEU A 85 1.963 6.452 -2.630 1.00 0.00 C ATOM 1284 CG LEU A 85 2.526 7.282 -1.457 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.977 6.884 -1.191 1.00 0.00 C ATOM 1286 CD2 LEU A 85 2.515 8.786 -1.736 1.00 0.00 C ATOM 0 H LEU A 85 0.103 5.506 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 85 0.249 5.834 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.481 5.493 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.186 6.967 -3.565 1.00 0.00 H new ATOM 0 HG LEU A 85 1.883 7.076 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.370 7.473 -0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.023 5.825 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.575 7.070 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.922 9.318 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.123 8.997 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.492 9.115 -1.915 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.920 7.972 -1.602 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.591 9.269 -1.503 1.00 0.00 C ATOM 1300 C PHE A 86 -0.747 10.245 -0.672 1.00 0.00 C ATOM 1301 O PHE A 86 -0.140 9.850 0.326 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.988 9.108 -0.884 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.930 8.175 -1.621 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.769 8.665 -2.640 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.002 6.819 -1.255 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -5.671 7.803 -3.292 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -4.923 5.967 -1.885 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.755 6.453 -2.908 1.00 0.00 C ATOM 0 H PHE A 86 -0.880 7.480 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.705 9.676 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.873 8.746 0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.454 10.092 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.720 9.706 -2.923 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.348 6.432 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.298 8.179 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.992 4.933 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.456 5.793 -3.397 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.747 11.529 -1.047 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.155 12.640 -0.284 1.00 0.00 C ATOM 1320 C LYS A 87 -1.206 13.736 -0.095 1.00 0.00 C ATOM 1321 O LYS A 87 -1.835 14.156 -1.062 1.00 0.00 O ATOM 1322 CB LYS A 87 1.122 13.126 -0.984 1.00 0.00 C ATOM 1323 CG LYS A 87 1.907 14.172 -0.175 1.00 0.00 C ATOM 1324 CD LYS A 87 3.403 14.207 -0.545 1.00 0.00 C ATOM 1325 CE LYS A 87 3.720 14.468 -2.027 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.357 15.848 -2.450 1.00 0.00 N ATOM 0 H LYS A 87 -1.174 11.837 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 87 0.146 12.315 0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.768 12.270 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.856 13.552 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.472 15.157 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.804 13.955 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.888 14.979 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.851 13.255 -0.259 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.783 14.305 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.181 13.748 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.589 15.975 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.338 15.998 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.890 16.537 -1.882 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.453 14.138 1.152 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.588 14.997 1.542 1.00 0.00 C ATOM 1342 C ASP A 88 -3.958 14.496 1.006 1.00 0.00 C ATOM 1343 O ASP A 88 -4.828 15.277 0.615 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.262 16.469 1.220 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.189 17.464 1.940 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.368 17.336 3.175 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -3.691 18.413 1.290 1.00 0.00 O ATOM 0 H ASP A 88 -0.862 13.874 1.940 1.00 0.00 H new ATOM 0 HA ASP A 88 -2.719 14.930 2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.229 16.676 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.338 16.625 0.144 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.123 13.168 0.926 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.295 12.479 0.363 1.00 0.00 C ATOM 1354 C GLY A 89 -5.472 12.577 -1.163 1.00 0.00 C ATOM 1355 O GLY A 89 -6.502 12.139 -1.674 1.00 0.00 O ATOM 0 H GLY A 89 -3.415 12.517 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.236 11.425 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.190 12.881 0.838 1.00 0.00 H new ATOM 1359 N GLN A 90 -4.495 13.114 -1.904 1.00 0.00 N ATOM 1360 CA GLN A 90 -4.467 13.125 -3.376 1.00 0.00 C ATOM 1361 C GLN A 90 -3.504 12.042 -3.906 1.00 0.00 C ATOM 1362 O GLN A 90 -2.451 11.835 -3.298 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.065 14.518 -3.892 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.070 15.612 -3.489 1.00 0.00 C ATOM 1365 CD GLN A 90 -4.732 16.997 -4.050 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -3.757 17.216 -4.761 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.535 17.998 -3.756 1.00 0.00 N ATOM 0 H GLN A 90 -3.680 13.565 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.467 12.899 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.079 14.775 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.982 14.489 -4.978 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.064 15.324 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.112 15.671 -2.401 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.352 17.840 -3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.340 18.931 -4.118 1.00 0.00 H new ATOM 1376 N PRO A 91 -3.816 11.329 -5.005 1.00 0.00 N ATOM 1377 CA PRO A 91 -2.982 10.234 -5.504 1.00 0.00 C ATOM 1378 C PRO A 91 -1.650 10.728 -6.097 1.00 0.00 C ATOM 1379 O PRO A 91 -1.597 11.746 -6.795 1.00 0.00 O ATOM 1380 CB PRO A 91 -3.844 9.495 -6.532 1.00 0.00 C ATOM 1381 CG PRO A 91 -4.783 10.587 -7.051 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.018 11.457 -5.816 1.00 0.00 C ATOM 0 HA PRO A 91 -2.680 9.570 -4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.239 9.070 -7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.396 8.672 -6.078 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.331 11.155 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.714 10.170 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.191 12.496 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.898 11.125 -5.266 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.573 9.982 -5.829 1.00 0.00 N ATOM 1391 CA VAL A 92 0.820 10.307 -6.202 1.00 0.00 C ATOM 1392 C VAL A 92 1.516 9.161 -6.951 1.00 0.00 C ATOM 1393 O VAL A 92 2.290 9.418 -7.876 1.00 0.00 O ATOM 1394 CB VAL A 92 1.612 10.705 -4.934 1.00 0.00 C ATOM 1395 CG1 VAL A 92 3.118 10.879 -5.176 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.098 12.035 -4.382 1.00 0.00 C ATOM 0 H VAL A 92 -0.644 9.098 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 92 0.793 11.148 -6.895 1.00 0.00 H new ATOM 0 HB VAL A 92 1.461 9.882 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.607 11.158 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.539 9.942 -5.540 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.279 11.661 -5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.665 12.302 -3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.220 12.813 -5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.043 11.939 -4.126 1.00 0.00 H new ATOM 1406 N LYS A 93 1.242 7.900 -6.587 1.00 0.00 N ATOM 1407 CA LYS A 93 1.873 6.700 -7.173 1.00 0.00 C ATOM 1408 C LYS A 93 0.863 5.560 -7.315 1.00 0.00 C ATOM 1409 O LYS A 93 0.070 5.343 -6.403 1.00 0.00 O ATOM 1410 CB LYS A 93 3.072 6.297 -6.293 1.00 0.00 C ATOM 1411 CG LYS A 93 4.041 5.328 -6.980 1.00 0.00 C ATOM 1412 CD LYS A 93 4.827 5.884 -8.175 1.00 0.00 C ATOM 1413 CE LYS A 93 5.693 7.093 -7.800 1.00 0.00 C ATOM 1414 NZ LYS A 93 6.600 7.459 -8.911 1.00 0.00 N ATOM 0 H LYS A 93 0.561 7.677 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 93 2.229 6.923 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.616 7.195 -6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.701 5.838 -5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.755 4.974 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.475 4.460 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.463 5.099 -8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.130 6.171 -8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.054 7.941 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.277 6.864 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.127 8.320 -8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.269 6.682 -9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.042 7.633 -9.771 1.00 0.00 H new ATOM 1428 N ARG A 94 0.919 4.833 -8.436 1.00 0.00 N ATOM 1429 CA ARG A 94 0.175 3.588 -8.717 1.00 0.00 C ATOM 1430 C ARG A 94 1.063 2.603 -9.488 1.00 0.00 C ATOM 1431 O ARG A 94 1.446 2.894 -10.622 1.00 0.00 O ATOM 1432 CB ARG A 94 -1.105 3.924 -9.509 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.982 2.678 -9.726 1.00 0.00 C ATOM 1434 CD ARG A 94 -3.270 3.015 -10.488 1.00 0.00 C ATOM 1435 NE ARG A 94 -3.931 1.776 -10.948 1.00 0.00 N ATOM 1436 CZ ARG A 94 -5.104 1.282 -10.596 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -5.919 1.909 -9.795 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -5.459 0.119 -11.061 1.00 0.00 N ATOM 0 H ARG A 94 1.515 5.107 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.112 3.113 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.676 4.682 -8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.834 4.351 -10.474 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.417 1.928 -10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.235 2.239 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.945 3.578 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.040 3.651 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.410 1.227 -11.631 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.660 2.819 -9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.816 1.490 -9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.835 -0.393 -11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.361 -0.280 -10.801 1.00 0.00 H new ATOM 1452 N ILE A 95 1.381 1.451 -8.895 1.00 0.00 N ATOM 1453 CA ILE A 95 2.182 0.382 -9.499 1.00 0.00 C ATOM 1454 C ILE A 95 1.669 -1.013 -9.147 1.00 0.00 C ATOM 1455 O ILE A 95 1.105 -1.231 -8.078 1.00 0.00 O ATOM 1456 CB ILE A 95 3.677 0.501 -9.134 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.030 0.529 -7.629 1.00 0.00 C ATOM 1458 CG2 ILE A 95 4.379 1.630 -9.903 1.00 0.00 C ATOM 1459 CD1 ILE A 95 3.890 1.844 -6.859 1.00 0.00 C ATOM 0 H ILE A 95 1.078 1.228 -7.947 1.00 0.00 H new ATOM 0 HA ILE A 95 2.076 0.513 -10.576 1.00 0.00 H new ATOM 0 HB ILE A 95 4.078 -0.456 -9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.405 -0.212 -7.131 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.063 0.196 -7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.428 1.672 -9.610 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.308 1.440 -10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.899 2.581 -9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.177 1.689 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.538 2.598 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.855 2.183 -6.903 1.00 0.00 H new ATOM 1471 N VAL A 96 1.895 -1.963 -10.055 1.00 0.00 N ATOM 1472 CA VAL A 96 1.458 -3.354 -9.954 1.00 0.00 C ATOM 1473 C VAL A 96 2.634 -4.335 -10.079 1.00 0.00 C ATOM 1474 O VAL A 96 3.676 -3.998 -10.650 1.00 0.00 O ATOM 1475 CB VAL A 96 0.354 -3.642 -10.981 1.00 0.00 C ATOM 1476 CG1 VAL A 96 -0.808 -2.643 -10.903 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.843 -3.688 -12.437 1.00 0.00 C ATOM 0 H VAL A 96 2.409 -1.776 -10.916 1.00 0.00 H new ATOM 0 HA VAL A 96 1.039 -3.507 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 96 0.009 -4.637 -10.701 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.557 -2.897 -11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.258 -2.685 -9.911 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.435 -1.636 -11.090 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.001 -3.896 -13.097 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.284 -2.727 -12.703 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.592 -4.473 -12.545 1.00 0.00 H new ATOM 1487 N GLY A 97 2.484 -5.541 -9.528 1.00 0.00 N ATOM 1488 CA GLY A 97 3.548 -6.551 -9.446 1.00 0.00 C ATOM 1489 C GLY A 97 4.595 -6.233 -8.368 1.00 0.00 C ATOM 1490 O GLY A 97 4.691 -5.098 -7.893 1.00 0.00 O ATOM 0 H GLY A 97 1.603 -5.852 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.103 -7.524 -9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.043 -6.629 -10.414 1.00 0.00 H new ATOM 1494 N ALA A 98 5.398 -7.220 -7.967 1.00 0.00 N ATOM 1495 CA ALA A 98 6.388 -7.057 -6.894 1.00 0.00 C ATOM 1496 C ALA A 98 7.507 -6.048 -7.230 1.00 0.00 C ATOM 1497 O ALA A 98 7.819 -5.800 -8.400 1.00 0.00 O ATOM 1498 CB ALA A 98 6.973 -8.429 -6.538 1.00 0.00 C ATOM 0 H ALA A 98 5.383 -8.155 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 98 5.869 -6.634 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.709 -8.315 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.174 -9.089 -6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.453 -8.859 -7.417 1.00 0.00 H new ATOM 1504 N LYS A 99 8.127 -5.484 -6.186 1.00 0.00 N ATOM 1505 CA LYS A 99 9.398 -4.739 -6.243 1.00 0.00 C ATOM 1506 C LYS A 99 10.356 -5.251 -5.162 1.00 0.00 C ATOM 1507 O LYS A 99 9.909 -5.614 -4.073 1.00 0.00 O ATOM 1508 CB LYS A 99 9.192 -3.219 -6.081 1.00 0.00 C ATOM 1509 CG LYS A 99 8.546 -2.551 -7.304 1.00 0.00 C ATOM 1510 CD LYS A 99 7.016 -2.472 -7.200 1.00 0.00 C ATOM 1511 CE LYS A 99 6.379 -2.168 -8.560 1.00 0.00 C ATOM 1512 NZ LYS A 99 6.352 -3.361 -9.443 1.00 0.00 N ATOM 0 H LYS A 99 7.746 -5.534 -5.241 1.00 0.00 H new ATOM 0 HA LYS A 99 9.829 -4.909 -7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.568 -3.037 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.156 -2.749 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.950 -1.545 -7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.816 -3.108 -8.201 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.627 -3.415 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 99 6.738 -1.698 -6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.362 -1.805 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.934 -1.368 -9.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.905 -3.169 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.763 -4.174 -8.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.369 -3.577 -9.705 1.00 0.00 H new ATOM 1526 N GLY A 100 11.659 -5.223 -5.437 1.00 0.00 N ATOM 1527 CA GLY A 100 12.713 -5.308 -4.420 1.00 0.00 C ATOM 1528 C GLY A 100 12.996 -3.935 -3.802 1.00 0.00 C ATOM 1529 O GLY A 100 12.571 -2.911 -4.339 1.00 0.00 O ATOM 0 H GLY A 100 12.021 -5.139 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.413 -6.007 -3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.624 -5.703 -4.869 1.00 0.00 H new ATOM 1533 N LYS A 101 13.737 -3.895 -2.689 1.00 0.00 N ATOM 1534 CA LYS A 101 14.059 -2.660 -1.930 1.00 0.00 C ATOM 1535 C LYS A 101 14.666 -1.553 -2.791 1.00 0.00 C ATOM 1536 O LYS A 101 14.358 -0.383 -2.582 1.00 0.00 O ATOM 1537 CB LYS A 101 14.980 -3.017 -0.740 1.00 0.00 C ATOM 1538 CG LYS A 101 14.614 -2.367 0.603 1.00 0.00 C ATOM 1539 CD LYS A 101 14.675 -0.833 0.636 1.00 0.00 C ATOM 1540 CE LYS A 101 14.356 -0.273 2.031 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.302 -0.761 3.068 1.00 0.00 N ATOM 0 H LYS A 101 14.143 -4.733 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 101 13.119 -2.250 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.975 -4.099 -0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.000 -2.731 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.605 -2.679 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.285 -2.756 1.369 1.00 0.00 H new ATOM 0 HD2 LYS A 101 15.668 -0.503 0.332 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.969 -0.427 -0.088 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.388 0.816 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.340 -0.554 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.189 -0.196 3.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.102 -1.760 3.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.277 -0.669 2.719 1.00 0.00 H new ATOM 1555 N ALA A 102 15.459 -1.914 -3.798 1.00 0.00 N ATOM 1556 CA ALA A 102 16.053 -0.952 -4.726 1.00 0.00 C ATOM 1557 C ALA A 102 14.981 -0.243 -5.578 1.00 0.00 C ATOM 1558 O ALA A 102 14.885 0.983 -5.555 1.00 0.00 O ATOM 1559 CB ALA A 102 17.100 -1.673 -5.584 1.00 0.00 C ATOM 0 H ALA A 102 15.709 -2.883 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 102 16.548 -0.162 -4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.550 -0.965 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 102 17.874 -2.090 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.621 -2.477 -6.143 1.00 0.00 H new ATOM 1565 N ALA A 103 14.119 -0.998 -6.268 1.00 0.00 N ATOM 1566 CA ALA A 103 13.077 -0.440 -7.136 1.00 0.00 C ATOM 1567 C ALA A 103 11.919 0.192 -6.340 1.00 0.00 C ATOM 1568 O ALA A 103 11.414 1.252 -6.726 1.00 0.00 O ATOM 1569 CB ALA A 103 12.584 -1.550 -8.071 1.00 0.00 C ATOM 0 H ALA A 103 14.125 -2.018 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 103 13.503 0.375 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.807 -1.156 -8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.416 -1.915 -8.673 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.178 -2.370 -7.479 1.00 0.00 H new ATOM 1575 N LEU A 104 11.542 -0.390 -5.192 1.00 0.00 N ATOM 1576 CA LEU A 104 10.567 0.234 -4.301 1.00 0.00 C ATOM 1577 C LEU A 104 11.115 1.562 -3.764 1.00 0.00 C ATOM 1578 O LEU A 104 10.380 2.544 -3.758 1.00 0.00 O ATOM 1579 CB LEU A 104 10.166 -0.738 -3.172 1.00 0.00 C ATOM 1580 CG LEU A 104 8.925 -0.249 -2.398 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.642 -0.337 -3.225 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.704 -1.054 -1.120 1.00 0.00 C ATOM 0 H LEU A 104 11.899 -1.288 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 104 9.660 0.461 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.964 -1.722 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 104 11.001 -0.854 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 104 9.132 0.794 -2.160 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.801 0.020 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.742 0.279 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.467 -1.373 -3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.821 -0.680 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.559 -2.104 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.574 -0.953 -0.472 1.00 0.00 H new ATOM 1594 N LEU A 105 12.404 1.655 -3.409 1.00 0.00 N ATOM 1595 CA LEU A 105 12.996 2.940 -3.035 1.00 0.00 C ATOM 1596 C LEU A 105 13.212 3.880 -4.230 1.00 0.00 C ATOM 1597 O LEU A 105 13.174 5.077 -4.007 1.00 0.00 O ATOM 1598 CB LEU A 105 14.250 2.775 -2.157 1.00 0.00 C ATOM 1599 CG LEU A 105 14.747 4.100 -1.525 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.708 4.765 -0.617 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.981 3.807 -0.674 1.00 0.00 C ATOM 0 H LEU A 105 13.047 0.864 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 105 12.256 3.442 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 105 14.034 2.062 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.051 2.347 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 105 14.959 4.781 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.120 5.687 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.812 4.993 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.451 4.089 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 105 16.340 4.732 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.721 3.098 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.764 3.381 -1.302 1.00 0.00 H new ATOM 1613 N ARG A 106 13.338 3.440 -5.491 1.00 0.00 N ATOM 1614 CA ARG A 106 13.194 4.386 -6.626 1.00 0.00 C ATOM 1615 C ARG A 106 11.811 5.052 -6.582 1.00 0.00 C ATOM 1616 O ARG A 106 11.697 6.279 -6.472 1.00 0.00 O ATOM 1617 CB ARG A 106 13.426 3.711 -7.993 1.00 0.00 C ATOM 1618 CG ARG A 106 14.866 3.231 -8.210 1.00 0.00 C ATOM 1619 CD ARG A 106 15.028 2.592 -9.595 1.00 0.00 C ATOM 1620 NE ARG A 106 16.402 2.092 -9.798 1.00 0.00 N ATOM 1621 CZ ARG A 106 16.865 1.469 -10.868 1.00 0.00 C ATOM 1622 NH1 ARG A 106 16.116 1.222 -11.906 1.00 0.00 N ATOM 1623 NH2 ARG A 106 18.107 1.079 -10.917 1.00 0.00 N ATOM 0 H ARG A 106 13.532 2.474 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 106 13.968 5.146 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.751 2.860 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.164 4.414 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.553 4.072 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.133 2.509 -7.439 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.320 1.770 -9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.788 3.324 -10.366 1.00 0.00 H new ATOM 0 HE ARG A 106 17.062 2.243 -9.035 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.138 1.512 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 106 16.508 0.739 -12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 106 18.728 1.254 -10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.458 0.599 -11.745 1.00 0.00 H new ATOM 1637 N GLU A 107 10.759 4.232 -6.567 1.00 0.00 N ATOM 1638 CA GLU A 107 9.374 4.718 -6.638 1.00 0.00 C ATOM 1639 C GLU A 107 8.894 5.466 -5.381 1.00 0.00 C ATOM 1640 O GLU A 107 8.028 6.336 -5.487 1.00 0.00 O ATOM 1641 CB GLU A 107 8.426 3.567 -7.003 1.00 0.00 C ATOM 1642 CG GLU A 107 8.664 3.011 -8.418 1.00 0.00 C ATOM 1643 CD GLU A 107 8.697 4.078 -9.538 1.00 0.00 C ATOM 1644 OE1 GLU A 107 7.953 5.086 -9.461 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.472 3.909 -10.509 1.00 0.00 O ATOM 0 H GLU A 107 10.839 3.217 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 107 9.357 5.468 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.547 2.762 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.396 3.915 -6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.609 2.468 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.880 2.289 -8.646 1.00 0.00 H new ATOM 1652 N LEU A 108 9.462 5.177 -4.205 1.00 0.00 N ATOM 1653 CA LEU A 108 9.153 5.872 -2.950 1.00 0.00 C ATOM 1654 C LEU A 108 10.144 6.981 -2.604 1.00 0.00 C ATOM 1655 O LEU A 108 9.730 7.963 -2.004 1.00 0.00 O ATOM 1656 CB LEU A 108 9.039 4.871 -1.794 1.00 0.00 C ATOM 1657 CG LEU A 108 7.932 3.823 -1.989 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.933 2.886 -0.787 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.535 4.432 -2.121 1.00 0.00 C ATOM 0 H LEU A 108 10.161 4.442 -4.097 1.00 0.00 H new ATOM 0 HA LEU A 108 8.191 6.362 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.994 4.359 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.851 5.417 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 108 8.148 3.300 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.152 2.136 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.902 2.393 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.746 3.459 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.802 3.636 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.297 4.995 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.509 5.099 -2.983 1.00 0.00 H new ATOM 1671 N SER A 109 11.413 6.910 -3.013 1.00 0.00 N ATOM 1672 CA SER A 109 12.338 8.053 -2.878 1.00 0.00 C ATOM 1673 C SER A 109 11.954 9.195 -3.834 1.00 0.00 C ATOM 1674 O SER A 109 12.179 10.368 -3.531 1.00 0.00 O ATOM 1675 CB SER A 109 13.815 7.687 -3.041 1.00 0.00 C ATOM 1676 OG SER A 109 14.645 8.748 -2.604 1.00 0.00 O ATOM 0 H SER A 109 11.828 6.081 -3.439 1.00 0.00 H new ATOM 0 HA SER A 109 12.226 8.393 -1.848 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.037 6.786 -2.469 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.026 7.461 -4.086 1.00 0.00 H new ATOM 0 HG SER A 109 14.213 9.216 -1.860 1.00 0.00 H new ATOM 1682 N ASP A 110 11.255 8.882 -4.936 1.00 0.00 N ATOM 1683 CA ASP A 110 10.541 9.879 -5.754 1.00 0.00 C ATOM 1684 C ASP A 110 9.486 10.694 -4.954 1.00 0.00 C ATOM 1685 O ASP A 110 9.163 11.825 -5.324 1.00 0.00 O ATOM 1686 CB ASP A 110 9.907 9.136 -6.939 1.00 0.00 C ATOM 1687 CG ASP A 110 9.218 10.055 -7.957 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.863 11.001 -8.470 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.043 9.776 -8.299 1.00 0.00 O ATOM 0 H ASP A 110 11.168 7.928 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 110 11.254 10.626 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.680 8.561 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.177 8.422 -6.558 1.00 0.00 H new ATOM 1694 N VAL A 111 8.992 10.160 -3.826 1.00 0.00 N ATOM 1695 CA VAL A 111 8.125 10.824 -2.833 1.00 0.00 C ATOM 1696 C VAL A 111 8.924 11.297 -1.599 1.00 0.00 C ATOM 1697 O VAL A 111 8.556 12.284 -0.963 1.00 0.00 O ATOM 1698 CB VAL A 111 6.992 9.849 -2.431 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.000 10.484 -1.457 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.206 9.382 -3.667 1.00 0.00 C ATOM 0 H VAL A 111 9.198 9.196 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 111 7.693 11.720 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 111 7.480 9.004 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.224 9.761 -1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.523 10.786 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.544 11.359 -1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.416 8.698 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.765 10.245 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.880 8.871 -4.355 1.00 0.00 H new ATOM 1710 N VAL A 112 10.030 10.614 -1.276 1.00 0.00 N ATOM 1711 CA VAL A 112 10.845 10.755 -0.055 1.00 0.00 C ATOM 1712 C VAL A 112 12.331 10.995 -0.402 1.00 0.00 C ATOM 1713 O VAL A 112 13.138 10.059 -0.385 1.00 0.00 O ATOM 1714 CB VAL A 112 10.646 9.518 0.861 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.368 9.712 2.199 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.164 9.274 1.189 1.00 0.00 C ATOM 0 H VAL A 112 10.407 9.900 -1.900 1.00 0.00 H new ATOM 0 HA VAL A 112 10.510 11.634 0.496 1.00 0.00 H new ATOM 0 HB VAL A 112 11.051 8.669 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.215 8.833 2.826 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.434 9.850 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.968 10.591 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.073 8.399 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.757 10.145 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.610 9.105 0.266 1.00 0.00 H new