USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 Single : A 18 GLN : amide:sc= -3.94! K(o=-3.9!,f=-2.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -92:sc= -6.01! USER MOD Single : A 28 GLN : amide:sc= -0.884 K(o=-0.88,f=-3.5!) USER MOD Single : A 29 ASN : amide:sc= -6.88! C(o=-6.9!,f=-5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -120:sc= -0.424 USER MOD Single : A 45 LYS NZ :NH3+ -137:sc= 0.186 (180deg=0) USER MOD Single : A 46 MET CE :methyl -176:sc= -2.91! (180deg=-3.02!) USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.286 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 174 N ARG A 14 -7.973 4.461 2.160 1.00 0.00 N ATOM 175 CA ARG A 14 -7.873 3.036 2.451 1.00 0.00 C ATOM 176 C ARG A 14 -8.539 2.705 3.783 1.00 0.00 C ATOM 177 O ARG A 14 -8.921 3.600 4.537 1.00 0.00 O ATOM 178 CB ARG A 14 -6.407 2.601 2.480 1.00 0.00 C ATOM 179 CG ARG A 14 -5.753 2.572 1.108 1.00 0.00 C ATOM 180 CD ARG A 14 -6.035 1.265 0.384 1.00 0.00 C ATOM 181 NE ARG A 14 -7.308 1.298 -0.331 1.00 0.00 N ATOM 182 CZ ARG A 14 -7.704 0.349 -1.171 1.00 0.00 C ATOM 183 NH1 ARG A 14 -6.930 -0.704 -1.400 1.00 0.00 N ATOM 184 NH2 ARG A 14 -8.876 0.450 -1.784 1.00 0.00 N ATOM 0 HA ARG A 14 -8.391 2.493 1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.848 3.279 3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.340 1.609 2.926 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.120 3.407 0.511 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.676 2.706 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.229 1.060 -0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.045 0.447 1.104 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.927 2.094 -0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.028 -0.786 -0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.237 -1.432 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.474 1.258 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.179 -0.280 -2.429 1.00 0.00 H new ATOM 198 N ALA A 15 -8.676 1.414 4.066 1.00 0.00 N ATOM 199 CA ALA A 15 -9.295 0.964 5.307 1.00 0.00 C ATOM 200 C ALA A 15 -8.291 0.970 6.454 1.00 0.00 C ATOM 201 O ALA A 15 -7.077 0.922 6.249 1.00 0.00 O ATOM 202 CB ALA A 15 -9.887 -0.426 5.128 1.00 0.00 C ATOM 0 H ALA A 15 -8.366 0.661 3.452 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.097 1.659 5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.346 -0.749 6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.642 -0.401 4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.098 -1.125 4.851 1.00 0.00 H new ATOM 208 N PRO A 16 -8.805 1.031 7.691 1.00 0.00 N ATOM 209 CA PRO A 16 -7.970 1.045 8.896 1.00 0.00 C ATOM 210 C PRO A 16 -7.284 -0.294 9.141 1.00 0.00 C ATOM 211 O PRO A 16 -6.361 -0.390 9.950 1.00 0.00 O ATOM 212 CB PRO A 16 -8.968 1.348 10.016 1.00 0.00 C ATOM 213 CG PRO A 16 -10.278 0.867 9.496 1.00 0.00 C ATOM 214 CD PRO A 16 -10.241 1.091 8.010 1.00 0.00 C ATOM 0 HA PRO A 16 -7.159 1.770 8.822 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.696 0.835 10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.999 2.414 10.241 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.427 -0.188 9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.103 1.413 9.953 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.804 0.326 7.474 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.673 2.054 7.738 1.00 0.00 H new ATOM 222 N GLU A 17 -7.741 -1.326 8.438 1.00 0.00 N ATOM 223 CA GLU A 17 -7.170 -2.660 8.581 1.00 0.00 C ATOM 224 C GLU A 17 -6.018 -2.867 7.602 1.00 0.00 C ATOM 225 O GLU A 17 -4.951 -3.351 7.977 1.00 0.00 O ATOM 226 CB GLU A 17 -8.244 -3.725 8.354 1.00 0.00 C ATOM 227 CG GLU A 17 -9.179 -3.909 9.538 1.00 0.00 C ATOM 228 CD GLU A 17 -10.126 -5.079 9.357 1.00 0.00 C ATOM 229 OE1 GLU A 17 -11.127 -4.924 8.627 1.00 0.00 O ATOM 230 OE2 GLU A 17 -9.868 -6.149 9.947 1.00 0.00 O ATOM 0 H GLU A 17 -8.504 -1.264 7.764 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.783 -2.755 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.832 -3.455 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.760 -4.676 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.589 -4.060 10.442 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.758 -2.997 9.684 1.00 0.00 H new ATOM 237 N GLN A 18 -6.244 -2.497 6.345 1.00 0.00 N ATOM 238 CA GLN A 18 -5.226 -2.643 5.312 1.00 0.00 C ATOM 239 C GLN A 18 -4.033 -1.735 5.590 1.00 0.00 C ATOM 240 O GLN A 18 -2.883 -2.176 5.561 1.00 0.00 O ATOM 241 CB GLN A 18 -5.815 -2.323 3.937 1.00 0.00 C ATOM 242 CG GLN A 18 -7.065 -3.124 3.609 1.00 0.00 C ATOM 243 CD GLN A 18 -7.663 -2.749 2.268 1.00 0.00 C ATOM 244 OE1 GLN A 18 -8.616 -1.972 2.196 1.00 0.00 O ATOM 245 NE2 GLN A 18 -7.106 -3.299 1.196 1.00 0.00 N ATOM 0 H GLN A 18 -7.122 -2.094 6.018 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.882 -3.677 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.052 -1.260 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.060 -2.514 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.822 -4.186 3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.808 -2.967 4.391 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.318 -3.938 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.466 -3.083 0.267 1.00 0.00 H new ATOM 254 N LEU A 19 -4.313 -0.465 5.861 1.00 0.00 N ATOM 255 CA LEU A 19 -3.262 0.507 6.145 1.00 0.00 C ATOM 256 C LEU A 19 -2.338 0.002 7.249 1.00 0.00 C ATOM 257 O LEU A 19 -1.118 -0.025 7.086 1.00 0.00 O ATOM 258 CB LEU A 19 -3.876 1.847 6.551 1.00 0.00 C ATOM 259 CG LEU A 19 -4.297 2.768 5.405 1.00 0.00 C ATOM 260 CD1 LEU A 19 -4.863 4.071 5.947 1.00 0.00 C ATOM 261 CD2 LEU A 19 -3.119 3.040 4.480 1.00 0.00 C ATOM 0 H LEU A 19 -5.259 -0.084 5.890 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.673 0.645 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.750 1.650 7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.157 2.380 7.173 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.077 2.268 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.157 4.713 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.734 3.859 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.105 4.576 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.436 3.697 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.318 3.519 5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.758 2.099 4.064 1.00 0.00 H new ATOM 273 N ARG A 20 -2.928 -0.399 8.370 1.00 0.00 N ATOM 274 CA ARG A 20 -2.158 -0.904 9.500 1.00 0.00 C ATOM 275 C ARG A 20 -1.020 -1.802 9.025 1.00 0.00 C ATOM 276 O ARG A 20 0.065 -1.806 9.605 1.00 0.00 O ATOM 277 CB ARG A 20 -3.066 -1.676 10.459 1.00 0.00 C ATOM 278 CG ARG A 20 -2.309 -2.431 11.539 1.00 0.00 C ATOM 279 CD ARG A 20 -3.138 -3.574 12.105 1.00 0.00 C ATOM 280 NE ARG A 20 -4.120 -3.107 13.080 1.00 0.00 N ATOM 281 CZ ARG A 20 -4.854 -3.921 13.831 1.00 0.00 C ATOM 282 NH1 ARG A 20 -4.718 -5.235 13.719 1.00 0.00 N ATOM 283 NH2 ARG A 20 -5.727 -3.420 14.696 1.00 0.00 N ATOM 0 H ARG A 20 -3.937 -0.384 8.520 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.729 -0.051 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.758 -0.979 10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.667 -2.383 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.380 -2.824 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.037 -1.745 12.341 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.651 -4.087 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.478 -4.302 12.576 1.00 0.00 H new ATOM 0 HE ARG A 20 -4.249 -2.101 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.048 -5.624 13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.283 -5.857 14.297 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.835 -2.410 14.785 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.290 -4.045 15.272 1.00 0.00 H new ATOM 297 N ALA A 21 -1.277 -2.563 7.966 1.00 0.00 N ATOM 298 CA ALA A 21 -0.275 -3.465 7.412 1.00 0.00 C ATOM 299 C ALA A 21 0.708 -2.712 6.522 1.00 0.00 C ATOM 300 O ALA A 21 1.923 -2.875 6.645 1.00 0.00 O ATOM 301 CB ALA A 21 -0.946 -4.585 6.631 1.00 0.00 C ATOM 0 H ALA A 21 -2.171 -2.573 7.475 1.00 0.00 H new ATOM 0 HA ALA A 21 0.284 -3.900 8.240 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.185 -5.251 6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.603 -5.148 7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.531 -4.160 5.815 1.00 0.00 H new ATOM 307 N LEU A 22 0.177 -1.889 5.625 1.00 0.00 N ATOM 308 CA LEU A 22 1.008 -1.112 4.713 1.00 0.00 C ATOM 309 C LEU A 22 1.914 -0.156 5.482 1.00 0.00 C ATOM 310 O LEU A 22 3.139 -0.240 5.392 1.00 0.00 O ATOM 311 CB LEU A 22 0.131 -0.326 3.737 1.00 0.00 C ATOM 312 CG LEU A 22 -0.794 -1.157 2.846 1.00 0.00 C ATOM 313 CD1 LEU A 22 -1.682 -0.251 2.007 1.00 0.00 C ATOM 314 CD2 LEU A 22 0.018 -2.085 1.955 1.00 0.00 C ATOM 0 H LEU A 22 -0.826 -1.743 5.510 1.00 0.00 H new ATOM 0 HA LEU A 22 1.635 -1.805 4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.480 0.372 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.780 0.271 3.096 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.433 -1.766 3.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.333 -0.860 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.289 0.372 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.061 0.385 1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.656 -2.669 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.681 -1.494 1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.611 -2.758 2.575 1.00 0.00 H new ATOM 326 N GLU A 23 1.303 0.750 6.240 1.00 0.00 N ATOM 327 CA GLU A 23 2.056 1.720 7.026 1.00 0.00 C ATOM 328 C GLU A 23 3.157 1.032 7.829 1.00 0.00 C ATOM 329 O GLU A 23 4.338 1.347 7.679 1.00 0.00 O ATOM 330 CB GLU A 23 1.122 2.480 7.969 1.00 0.00 C ATOM 331 CG GLU A 23 0.040 3.268 7.250 1.00 0.00 C ATOM 332 CD GLU A 23 -0.887 3.993 8.206 1.00 0.00 C ATOM 333 OE1 GLU A 23 -1.216 3.419 9.265 1.00 0.00 O ATOM 334 OE2 GLU A 23 -1.284 5.135 7.894 1.00 0.00 O ATOM 0 H GLU A 23 0.290 0.832 6.326 1.00 0.00 H new ATOM 0 HA GLU A 23 2.519 2.427 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.651 1.771 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.713 3.163 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.506 3.993 6.583 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.544 2.591 6.627 1.00 0.00 H new ATOM 341 N SER A 24 2.761 0.093 8.681 1.00 0.00 N ATOM 342 CA SER A 24 3.713 -0.637 9.511 1.00 0.00 C ATOM 343 C SER A 24 4.798 -1.282 8.655 1.00 0.00 C ATOM 344 O SER A 24 5.972 -1.294 9.025 1.00 0.00 O ATOM 345 CB SER A 24 2.991 -1.708 10.331 1.00 0.00 C ATOM 346 OG SER A 24 3.839 -2.238 11.336 1.00 0.00 O ATOM 0 H SER A 24 1.788 -0.181 8.815 1.00 0.00 H new ATOM 0 HA SER A 24 4.185 0.074 10.190 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.100 -1.280 10.791 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.656 -2.510 9.673 1.00 0.00 H new ATOM 0 HG SER A 24 3.354 -2.919 11.847 1.00 0.00 H new ATOM 352 N SER A 25 4.397 -1.817 7.506 1.00 0.00 N ATOM 353 CA SER A 25 5.333 -2.468 6.597 1.00 0.00 C ATOM 354 C SER A 25 6.267 -1.446 5.957 1.00 0.00 C ATOM 355 O SER A 25 7.386 -1.773 5.559 1.00 0.00 O ATOM 356 CB SER A 25 4.574 -3.233 5.511 1.00 0.00 C ATOM 357 OG SER A 25 5.439 -4.101 4.800 1.00 0.00 O ATOM 0 H SER A 25 3.430 -1.812 7.183 1.00 0.00 H new ATOM 0 HA SER A 25 5.933 -3.171 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.767 -3.809 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.113 -2.528 4.820 1.00 0.00 H new ATOM 0 HG SER A 25 5.795 -3.636 4.014 1.00 0.00 H new ATOM 363 N PHE A 26 5.800 -0.205 5.860 1.00 0.00 N ATOM 364 CA PHE A 26 6.593 0.866 5.267 1.00 0.00 C ATOM 365 C PHE A 26 7.808 1.187 6.133 1.00 0.00 C ATOM 366 O PHE A 26 8.932 1.262 5.639 1.00 0.00 O ATOM 367 CB PHE A 26 5.737 2.121 5.085 1.00 0.00 C ATOM 368 CG PHE A 26 6.460 3.245 4.400 1.00 0.00 C ATOM 369 CD1 PHE A 26 6.925 3.099 3.103 1.00 0.00 C ATOM 370 CD2 PHE A 26 6.673 4.448 5.053 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.591 4.132 2.471 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.339 5.485 4.426 1.00 0.00 C ATOM 373 CZ PHE A 26 7.797 5.327 3.133 1.00 0.00 C ATOM 0 H PHE A 26 4.877 0.084 6.184 1.00 0.00 H new ATOM 0 HA PHE A 26 6.943 0.528 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.849 1.865 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.394 2.462 6.062 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.765 2.168 2.580 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.315 4.577 6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.950 4.005 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.501 6.417 4.947 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.315 6.136 2.640 1.00 0.00 H new ATOM 383 N ALA A 27 7.572 1.375 7.427 1.00 0.00 N ATOM 384 CA ALA A 27 8.646 1.686 8.362 1.00 0.00 C ATOM 385 C ALA A 27 9.853 0.784 8.131 1.00 0.00 C ATOM 386 O ALA A 27 10.997 1.221 8.250 1.00 0.00 O ATOM 387 CB ALA A 27 8.152 1.554 9.795 1.00 0.00 C ATOM 0 H ALA A 27 6.646 1.317 7.852 1.00 0.00 H new ATOM 0 HA ALA A 27 8.958 2.716 8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.964 1.789 10.483 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.325 2.245 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.812 0.533 9.970 1.00 0.00 H new ATOM 393 N GLN A 28 9.590 -0.477 7.801 1.00 0.00 N ATOM 394 CA GLN A 28 10.656 -1.440 7.555 1.00 0.00 C ATOM 395 C GLN A 28 11.306 -1.198 6.197 1.00 0.00 C ATOM 396 O GLN A 28 12.527 -1.082 6.094 1.00 0.00 O ATOM 397 CB GLN A 28 10.110 -2.867 7.625 1.00 0.00 C ATOM 398 CG GLN A 28 9.603 -3.258 9.004 1.00 0.00 C ATOM 399 CD GLN A 28 10.706 -3.283 10.045 1.00 0.00 C ATOM 400 OE1 GLN A 28 11.865 -2.999 9.744 1.00 0.00 O ATOM 401 NE2 GLN A 28 10.348 -3.624 11.277 1.00 0.00 N ATOM 0 H GLN A 28 8.648 -0.855 7.698 1.00 0.00 H new ATOM 0 HA GLN A 28 11.413 -1.310 8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.298 -2.972 6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.894 -3.562 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.830 -2.555 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.137 -4.242 8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.375 -3.852 11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.046 -3.658 12.020 1.00 0.00 H new ATOM 410 N ASN A 29 10.482 -1.123 5.157 1.00 0.00 N ATOM 411 CA ASN A 29 10.977 -0.896 3.804 1.00 0.00 C ATOM 412 C ASN A 29 9.934 -0.172 2.958 1.00 0.00 C ATOM 413 O ASN A 29 8.738 -0.453 3.028 1.00 0.00 O ATOM 414 CB ASN A 29 11.352 -2.225 3.146 1.00 0.00 C ATOM 415 CG ASN A 29 12.091 -2.033 1.835 1.00 0.00 C ATOM 416 OD1 ASN A 29 13.283 -1.724 1.822 1.00 0.00 O ATOM 417 ND2 ASN A 29 11.385 -2.216 0.726 1.00 0.00 N ATOM 0 H ASN A 29 9.469 -1.216 5.225 1.00 0.00 H new ATOM 0 HA ASN A 29 11.865 -0.268 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.974 -2.803 3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.448 -2.807 2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.828 -2.101 -0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.399 -2.472 0.785 1.00 0.00 H new ATOM 424 N PRO A 30 10.397 0.783 2.137 1.00 0.00 N ATOM 425 CA PRO A 30 9.522 1.566 1.261 1.00 0.00 C ATOM 426 C PRO A 30 8.944 0.731 0.123 1.00 0.00 C ATOM 427 O PRO A 30 7.734 0.729 -0.107 1.00 0.00 O ATOM 428 CB PRO A 30 10.450 2.651 0.710 1.00 0.00 C ATOM 429 CG PRO A 30 11.814 2.058 0.788 1.00 0.00 C ATOM 430 CD PRO A 30 11.811 1.171 2.002 1.00 0.00 C ATOM 0 HA PRO A 30 8.656 1.958 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.190 2.911 -0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 30 10.382 3.566 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.043 1.487 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.573 2.835 0.875 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.455 0.302 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.169 1.698 2.886 1.00 0.00 H new ATOM 438 N LEU A 31 9.816 0.023 -0.587 1.00 0.00 N ATOM 439 CA LEU A 31 9.392 -0.817 -1.701 1.00 0.00 C ATOM 440 C LEU A 31 9.822 -2.264 -1.487 1.00 0.00 C ATOM 441 O LEU A 31 10.881 -2.697 -1.943 1.00 0.00 O ATOM 442 CB LEU A 31 9.974 -0.289 -3.014 1.00 0.00 C ATOM 443 CG LEU A 31 9.537 1.118 -3.424 1.00 0.00 C ATOM 444 CD1 LEU A 31 10.148 1.497 -4.764 1.00 0.00 C ATOM 445 CD2 LEU A 31 8.019 1.210 -3.482 1.00 0.00 C ATOM 0 H LEU A 31 10.821 0.014 -0.411 1.00 0.00 H new ATOM 0 HA LEU A 31 8.304 -0.785 -1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.061 -0.302 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.702 -0.979 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 31 9.895 1.822 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.826 2.501 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.235 1.472 -4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.821 0.789 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.727 2.218 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.639 0.495 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.603 0.983 -2.501 1.00 0.00 H new ATOM 457 N PRO A 32 8.982 -3.033 -0.778 1.00 0.00 N ATOM 458 CA PRO A 32 9.253 -4.444 -0.489 1.00 0.00 C ATOM 459 C PRO A 32 9.158 -5.319 -1.734 1.00 0.00 C ATOM 460 O PRO A 32 8.539 -4.937 -2.728 1.00 0.00 O ATOM 461 CB PRO A 32 8.157 -4.818 0.512 1.00 0.00 C ATOM 462 CG PRO A 32 7.047 -3.864 0.233 1.00 0.00 C ATOM 463 CD PRO A 32 7.703 -2.583 -0.204 1.00 0.00 C ATOM 0 HA PRO A 32 10.264 -4.596 -0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.834 -5.851 0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.510 -4.725 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.387 -4.249 -0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.435 -3.706 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 32 7.098 -2.052 -0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.856 -1.903 0.634 1.00 0.00 H new ATOM 471 N LEU A 33 9.774 -6.495 -1.674 1.00 0.00 N ATOM 472 CA LEU A 33 9.758 -7.425 -2.797 1.00 0.00 C ATOM 473 C LEU A 33 8.485 -8.264 -2.792 1.00 0.00 C ATOM 474 O LEU A 33 7.608 -8.074 -1.948 1.00 0.00 O ATOM 475 CB LEU A 33 10.984 -8.339 -2.745 1.00 0.00 C ATOM 476 CG LEU A 33 12.336 -7.661 -2.971 1.00 0.00 C ATOM 477 CD1 LEU A 33 13.473 -8.601 -2.600 1.00 0.00 C ATOM 478 CD2 LEU A 33 12.469 -7.204 -4.416 1.00 0.00 C ATOM 0 H LEU A 33 10.291 -6.827 -0.859 1.00 0.00 H new ATOM 0 HA LEU A 33 9.784 -6.843 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.005 -8.831 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.862 -9.120 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 33 12.393 -6.783 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.427 -8.102 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.388 -8.878 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.420 -9.498 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.437 -6.724 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.391 -8.066 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.675 -6.494 -4.648 1.00 0.00 H new ATOM 490 N ASP A 34 8.390 -9.193 -3.737 1.00 0.00 N ATOM 491 CA ASP A 34 7.225 -10.064 -3.840 1.00 0.00 C ATOM 492 C ASP A 34 7.008 -10.837 -2.542 1.00 0.00 C ATOM 493 O ASP A 34 5.920 -10.813 -1.969 1.00 0.00 O ATOM 494 CB ASP A 34 7.391 -11.038 -5.007 1.00 0.00 C ATOM 495 CG ASP A 34 6.864 -10.473 -6.312 1.00 0.00 C ATOM 496 OD1 ASP A 34 5.762 -9.885 -6.301 1.00 0.00 O ATOM 497 OD2 ASP A 34 7.553 -10.619 -7.343 1.00 0.00 O ATOM 0 H ASP A 34 9.106 -9.362 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 34 6.350 -9.440 -4.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.446 -11.287 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.868 -11.967 -4.779 1.00 0.00 H new ATOM 502 N GLU A 35 8.052 -11.523 -2.087 1.00 0.00 N ATOM 503 CA GLU A 35 7.975 -12.305 -0.859 1.00 0.00 C ATOM 504 C GLU A 35 7.325 -11.496 0.261 1.00 0.00 C ATOM 505 O GLU A 35 6.262 -11.858 0.764 1.00 0.00 O ATOM 506 CB GLU A 35 9.371 -12.761 -0.430 1.00 0.00 C ATOM 507 CG GLU A 35 10.110 -13.547 -1.499 1.00 0.00 C ATOM 508 CD GLU A 35 11.249 -14.373 -0.934 1.00 0.00 C ATOM 509 OE1 GLU A 35 11.957 -13.872 -0.036 1.00 0.00 O ATOM 510 OE2 GLU A 35 11.432 -15.521 -1.390 1.00 0.00 O ATOM 0 H GLU A 35 8.960 -11.553 -2.550 1.00 0.00 H new ATOM 0 HA GLU A 35 7.359 -13.182 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.963 -11.886 -0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.284 -13.376 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.408 -14.205 -2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.502 -12.857 -2.246 1.00 0.00 H new ATOM 517 N GLU A 36 7.974 -10.401 0.645 1.00 0.00 N ATOM 518 CA GLU A 36 7.460 -9.543 1.706 1.00 0.00 C ATOM 519 C GLU A 36 6.028 -9.107 1.408 1.00 0.00 C ATOM 520 O GLU A 36 5.194 -9.019 2.309 1.00 0.00 O ATOM 521 CB GLU A 36 8.354 -8.313 1.875 1.00 0.00 C ATOM 522 CG GLU A 36 7.870 -7.351 2.947 1.00 0.00 C ATOM 523 CD GLU A 36 7.617 -8.037 4.275 1.00 0.00 C ATOM 524 OE1 GLU A 36 8.499 -8.795 4.730 1.00 0.00 O ATOM 525 OE2 GLU A 36 6.536 -7.816 4.860 1.00 0.00 O ATOM 0 H GLU A 36 8.855 -10.088 0.238 1.00 0.00 H new ATOM 0 HA GLU A 36 7.462 -10.115 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.364 -8.640 2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.413 -7.784 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.611 -6.563 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.952 -6.870 2.610 1.00 0.00 H new ATOM 532 N LEU A 37 5.751 -8.836 0.137 1.00 0.00 N ATOM 533 CA LEU A 37 4.421 -8.409 -0.282 1.00 0.00 C ATOM 534 C LEU A 37 3.400 -9.523 -0.072 1.00 0.00 C ATOM 535 O LEU A 37 2.255 -9.267 0.303 1.00 0.00 O ATOM 536 CB LEU A 37 4.438 -7.988 -1.752 1.00 0.00 C ATOM 537 CG LEU A 37 5.081 -6.634 -2.055 1.00 0.00 C ATOM 538 CD1 LEU A 37 5.491 -6.554 -3.518 1.00 0.00 C ATOM 539 CD2 LEU A 37 4.130 -5.500 -1.703 1.00 0.00 C ATOM 0 H LEU A 37 6.430 -8.904 -0.621 1.00 0.00 H new ATOM 0 HA LEU A 37 4.131 -7.555 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.964 -8.753 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.411 -7.969 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 37 5.976 -6.533 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.947 -5.584 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.209 -7.344 -3.738 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.611 -6.677 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.605 -4.544 -1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.216 -5.596 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.886 -5.546 -0.642 1.00 0.00 H new ATOM 551 N ASP A 38 3.823 -10.759 -0.313 1.00 0.00 N ATOM 552 CA ASP A 38 2.946 -11.912 -0.147 1.00 0.00 C ATOM 553 C ASP A 38 2.352 -11.946 1.257 1.00 0.00 C ATOM 554 O ASP A 38 1.202 -12.343 1.446 1.00 0.00 O ATOM 555 CB ASP A 38 3.715 -13.206 -0.420 1.00 0.00 C ATOM 556 CG ASP A 38 2.843 -14.439 -0.276 1.00 0.00 C ATOM 557 OD1 ASP A 38 1.717 -14.435 -0.815 1.00 0.00 O ATOM 558 OD2 ASP A 38 3.289 -15.407 0.375 1.00 0.00 O ATOM 0 H ASP A 38 4.767 -10.988 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 38 2.130 -11.824 -0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.130 -13.173 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.557 -13.277 0.269 1.00 0.00 H new ATOM 563 N ARG A 39 3.144 -11.528 2.240 1.00 0.00 N ATOM 564 CA ARG A 39 2.697 -11.512 3.627 1.00 0.00 C ATOM 565 C ARG A 39 1.625 -10.447 3.841 1.00 0.00 C ATOM 566 O ARG A 39 0.507 -10.751 4.259 1.00 0.00 O ATOM 567 CB ARG A 39 3.879 -11.257 4.564 1.00 0.00 C ATOM 568 CG ARG A 39 3.676 -11.808 5.965 1.00 0.00 C ATOM 569 CD ARG A 39 3.882 -13.314 6.008 1.00 0.00 C ATOM 570 NE ARG A 39 5.291 -13.677 5.889 1.00 0.00 N ATOM 571 CZ ARG A 39 6.150 -13.634 6.902 1.00 0.00 C ATOM 572 NH1 ARG A 39 5.744 -13.245 8.102 1.00 0.00 N ATOM 573 NH2 ARG A 39 7.417 -13.980 6.715 1.00 0.00 N ATOM 0 H ARG A 39 4.098 -11.196 2.101 1.00 0.00 H new ATOM 0 HA ARG A 39 2.266 -12.487 3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.775 -11.703 4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.056 -10.183 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.372 -11.325 6.651 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.670 -11.568 6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.484 -13.708 6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.318 -13.780 5.200 1.00 0.00 H new ATOM 0 HE ARG A 39 5.635 -13.980 4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.771 -12.978 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.405 -13.213 8.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.733 -14.280 5.793 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.075 -13.946 7.494 1.00 0.00 H new ATOM 587 N LEU A 40 1.975 -9.198 3.554 1.00 0.00 N ATOM 588 CA LEU A 40 1.044 -8.087 3.715 1.00 0.00 C ATOM 589 C LEU A 40 -0.260 -8.356 2.971 1.00 0.00 C ATOM 590 O LEU A 40 -1.343 -8.029 3.457 1.00 0.00 O ATOM 591 CB LEU A 40 1.675 -6.789 3.208 1.00 0.00 C ATOM 592 CG LEU A 40 2.883 -6.278 3.994 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.646 -5.240 3.185 1.00 0.00 C ATOM 594 CD2 LEU A 40 2.443 -5.698 5.330 1.00 0.00 C ATOM 0 H LEU A 40 2.896 -8.929 3.209 1.00 0.00 H new ATOM 0 HA LEU A 40 0.820 -7.985 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.977 -6.936 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.911 -6.012 3.210 1.00 0.00 H new ATOM 0 HG LEU A 40 3.549 -7.119 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.502 -4.888 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.994 -5.688 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.989 -4.399 2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.316 -5.339 5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.756 -4.869 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.942 -6.470 5.914 1.00 0.00 H new ATOM 606 N ARG A 41 -0.148 -8.956 1.790 1.00 0.00 N ATOM 607 CA ARG A 41 -1.318 -9.271 0.979 1.00 0.00 C ATOM 608 C ARG A 41 -2.366 -10.014 1.803 1.00 0.00 C ATOM 609 O ARG A 41 -3.549 -10.020 1.460 1.00 0.00 O ATOM 610 CB ARG A 41 -0.914 -10.114 -0.232 1.00 0.00 C ATOM 611 CG ARG A 41 -0.441 -9.289 -1.418 1.00 0.00 C ATOM 612 CD ARG A 41 -0.753 -9.979 -2.736 1.00 0.00 C ATOM 613 NE ARG A 41 -0.755 -11.434 -2.605 1.00 0.00 N ATOM 614 CZ ARG A 41 -1.427 -12.244 -3.416 1.00 0.00 C ATOM 615 NH1 ARG A 41 -2.147 -11.743 -4.411 1.00 0.00 N ATOM 616 NH2 ARG A 41 -1.379 -13.557 -3.232 1.00 0.00 N ATOM 0 H ARG A 41 0.741 -9.234 1.374 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.751 -8.333 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.120 -10.800 0.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.764 -10.723 -0.540 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.920 -8.310 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.633 -9.120 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.726 -9.646 -3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.017 -9.683 -3.483 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.211 -11.851 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.186 -10.734 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.662 -12.367 -5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.826 -13.945 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.895 -14.178 -3.855 1.00 0.00 H new ATOM 630 N SER A 42 -1.924 -10.639 2.889 1.00 0.00 N ATOM 631 CA SER A 42 -2.823 -11.388 3.759 1.00 0.00 C ATOM 632 C SER A 42 -3.612 -10.448 4.665 1.00 0.00 C ATOM 633 O SER A 42 -4.752 -10.732 5.030 1.00 0.00 O ATOM 634 CB SER A 42 -2.032 -12.387 4.606 1.00 0.00 C ATOM 635 OG SER A 42 -1.365 -13.333 3.788 1.00 0.00 O ATOM 0 H SER A 42 -0.949 -10.642 3.188 1.00 0.00 H new ATOM 0 HA SER A 42 -3.527 -11.933 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.305 -11.854 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.706 -12.903 5.289 1.00 0.00 H new ATOM 0 HG SER A 42 -0.865 -13.959 4.353 1.00 0.00 H new ATOM 641 N GLU A 43 -2.994 -9.326 5.024 1.00 0.00 N ATOM 642 CA GLU A 43 -3.638 -8.344 5.889 1.00 0.00 C ATOM 643 C GLU A 43 -4.400 -7.311 5.064 1.00 0.00 C ATOM 644 O GLU A 43 -5.552 -6.990 5.360 1.00 0.00 O ATOM 645 CB GLU A 43 -2.598 -7.646 6.767 1.00 0.00 C ATOM 646 CG GLU A 43 -1.694 -8.606 7.521 1.00 0.00 C ATOM 647 CD GLU A 43 -2.305 -9.078 8.827 1.00 0.00 C ATOM 648 OE1 GLU A 43 -3.548 -9.047 8.945 1.00 0.00 O ATOM 649 OE2 GLU A 43 -1.541 -9.478 9.730 1.00 0.00 O ATOM 0 H GLU A 43 -2.050 -9.075 4.730 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.348 -8.869 6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.984 -6.997 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.111 -7.005 7.484 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.481 -9.469 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.741 -8.118 7.725 1.00 0.00 H new ATOM 656 N THR A 44 -3.749 -6.791 4.029 1.00 0.00 N ATOM 657 CA THR A 44 -4.363 -5.793 3.162 1.00 0.00 C ATOM 658 C THR A 44 -5.356 -6.436 2.200 1.00 0.00 C ATOM 659 O THR A 44 -6.337 -5.812 1.796 1.00 0.00 O ATOM 660 CB THR A 44 -3.303 -5.025 2.350 1.00 0.00 C ATOM 661 OG1 THR A 44 -2.479 -5.945 1.626 1.00 0.00 O ATOM 662 CG2 THR A 44 -2.436 -4.171 3.264 1.00 0.00 C ATOM 0 H THR A 44 -2.796 -7.045 3.770 1.00 0.00 H new ATOM 0 HA THR A 44 -4.890 -5.093 3.810 1.00 0.00 H new ATOM 0 HB THR A 44 -3.819 -4.370 1.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.546 -5.839 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.695 -3.638 2.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.062 -3.452 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.929 -4.811 3.987 1.00 0.00 H new ATOM 670 N LYS A 45 -5.095 -7.687 1.838 1.00 0.00 N ATOM 671 CA LYS A 45 -5.967 -8.416 0.924 1.00 0.00 C ATOM 672 C LYS A 45 -6.050 -7.713 -0.427 1.00 0.00 C ATOM 673 O LYS A 45 -7.093 -7.723 -1.079 1.00 0.00 O ATOM 674 CB LYS A 45 -7.367 -8.556 1.525 1.00 0.00 C ATOM 675 CG LYS A 45 -7.450 -9.580 2.643 1.00 0.00 C ATOM 676 CD LYS A 45 -7.118 -8.963 3.991 1.00 0.00 C ATOM 677 CE LYS A 45 -7.856 -9.663 5.122 1.00 0.00 C ATOM 678 NZ LYS A 45 -7.878 -8.840 6.363 1.00 0.00 N ATOM 0 H LYS A 45 -4.287 -8.218 2.163 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.543 -9.408 0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.688 -7.587 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.066 -8.835 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.453 -10.006 2.674 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.762 -10.400 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.044 -9.022 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.382 -7.905 3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.878 -9.878 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.378 -10.620 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.681 -9.446 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.153 -8.097 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.815 -8.402 6.472 1.00 0.00 H new ATOM 692 N MET A 46 -4.943 -7.106 -0.842 1.00 0.00 N ATOM 693 CA MET A 46 -4.891 -6.400 -2.117 1.00 0.00 C ATOM 694 C MET A 46 -3.913 -7.076 -3.072 1.00 0.00 C ATOM 695 O MET A 46 -3.359 -8.133 -2.767 1.00 0.00 O ATOM 696 CB MET A 46 -4.485 -4.941 -1.901 1.00 0.00 C ATOM 697 CG MET A 46 -5.445 -4.168 -1.012 1.00 0.00 C ATOM 698 SD MET A 46 -4.664 -2.757 -0.207 1.00 0.00 S ATOM 699 CE MET A 46 -3.674 -2.106 -1.550 1.00 0.00 C ATOM 0 H MET A 46 -4.070 -7.089 -0.314 1.00 0.00 H new ATOM 0 HA MET A 46 -5.886 -6.430 -2.562 1.00 0.00 H new ATOM 0 HB2 MET A 46 -3.489 -4.911 -1.459 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.419 -4.444 -2.869 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.287 -3.820 -1.610 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.849 -4.837 -0.252 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.075 -1.270 -1.188 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.015 -2.888 -1.929 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.328 -1.763 -2.352 1.00 0.00 H new ATOM 709 N THR A 47 -3.703 -6.460 -4.232 1.00 0.00 N ATOM 710 CA THR A 47 -2.793 -7.003 -5.233 1.00 0.00 C ATOM 711 C THR A 47 -1.475 -6.238 -5.249 1.00 0.00 C ATOM 712 O THR A 47 -1.352 -5.181 -4.632 1.00 0.00 O ATOM 713 CB THR A 47 -3.417 -6.961 -6.641 1.00 0.00 C ATOM 714 OG1 THR A 47 -3.983 -5.669 -6.887 1.00 0.00 O ATOM 715 CG2 THR A 47 -4.491 -8.027 -6.790 1.00 0.00 C ATOM 0 H THR A 47 -4.151 -5.584 -4.501 1.00 0.00 H new ATOM 0 HA THR A 47 -2.604 -8.041 -4.959 1.00 0.00 H new ATOM 0 HB THR A 47 -2.630 -7.158 -7.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.833 -5.770 -7.365 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.916 -7.977 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.051 -9.012 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.277 -7.858 -6.054 1.00 0.00 H new ATOM 723 N ARG A 48 -0.491 -6.779 -5.961 1.00 0.00 N ATOM 724 CA ARG A 48 0.819 -6.147 -6.057 1.00 0.00 C ATOM 725 C ARG A 48 0.704 -4.747 -6.653 1.00 0.00 C ATOM 726 O ARG A 48 1.384 -3.818 -6.215 1.00 0.00 O ATOM 727 CB ARG A 48 1.759 -7.000 -6.911 1.00 0.00 C ATOM 728 CG ARG A 48 2.562 -8.011 -6.109 1.00 0.00 C ATOM 729 CD ARG A 48 1.717 -9.216 -5.726 1.00 0.00 C ATOM 730 NE ARG A 48 1.781 -10.271 -6.733 1.00 0.00 N ATOM 731 CZ ARG A 48 0.833 -11.186 -6.900 1.00 0.00 C ATOM 732 NH1 ARG A 48 -0.247 -11.175 -6.130 1.00 0.00 N ATOM 733 NH2 ARG A 48 0.963 -12.115 -7.838 1.00 0.00 N ATOM 0 H ARG A 48 -0.577 -7.653 -6.479 1.00 0.00 H new ATOM 0 HA ARG A 48 1.229 -6.063 -5.051 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.173 -7.528 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.447 -6.344 -7.445 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.422 -8.339 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.950 -7.536 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.058 -9.608 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.681 -8.905 -5.592 1.00 0.00 H new ATOM 0 HE ARG A 48 2.599 -10.307 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.351 -10.463 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.974 -11.879 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.792 -12.127 -8.432 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.234 -12.817 -7.965 1.00 0.00 H new ATOM 747 N ARG A 49 -0.160 -4.603 -7.652 1.00 0.00 N ATOM 748 CA ARG A 49 -0.362 -3.317 -8.308 1.00 0.00 C ATOM 749 C ARG A 49 -0.982 -2.308 -7.347 1.00 0.00 C ATOM 750 O ARG A 49 -0.671 -1.118 -7.395 1.00 0.00 O ATOM 751 CB ARG A 49 -1.257 -3.483 -9.538 1.00 0.00 C ATOM 752 CG ARG A 49 -2.653 -3.987 -9.211 1.00 0.00 C ATOM 753 CD ARG A 49 -3.515 -4.089 -10.459 1.00 0.00 C ATOM 754 NE ARG A 49 -4.759 -4.812 -10.208 1.00 0.00 N ATOM 755 CZ ARG A 49 -5.856 -4.664 -10.943 1.00 0.00 C ATOM 756 NH1 ARG A 49 -5.863 -3.825 -11.969 1.00 0.00 N ATOM 757 NH2 ARG A 49 -6.950 -5.357 -10.651 1.00 0.00 N ATOM 0 H ARG A 49 -0.731 -5.361 -8.025 1.00 0.00 H new ATOM 0 HA ARG A 49 0.611 -2.941 -8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.337 -2.525 -10.051 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.782 -4.177 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.585 -4.964 -8.733 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.125 -3.314 -8.495 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.745 -3.088 -10.823 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.955 -4.594 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.787 -5.466 -9.426 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.025 -3.291 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.707 -3.714 -12.531 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.949 -6.003 -9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.792 -5.243 -11.216 1.00 0.00 H new ATOM 771 N GLU A 50 -1.861 -2.791 -6.474 1.00 0.00 N ATOM 772 CA GLU A 50 -2.525 -1.931 -5.503 1.00 0.00 C ATOM 773 C GLU A 50 -1.580 -1.568 -4.361 1.00 0.00 C ATOM 774 O GLU A 50 -1.482 -0.405 -3.968 1.00 0.00 O ATOM 775 CB GLU A 50 -3.773 -2.620 -4.947 1.00 0.00 C ATOM 776 CG GLU A 50 -4.832 -2.904 -5.999 1.00 0.00 C ATOM 777 CD GLU A 50 -5.753 -1.722 -6.234 1.00 0.00 C ATOM 778 OE1 GLU A 50 -5.257 -0.576 -6.239 1.00 0.00 O ATOM 779 OE2 GLU A 50 -6.969 -1.944 -6.412 1.00 0.00 O ATOM 0 H GLU A 50 -2.129 -3.774 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.821 -1.014 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.480 -3.558 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.206 -1.994 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.345 -3.172 -6.936 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.424 -3.765 -5.690 1.00 0.00 H new ATOM 786 N ILE A 51 -0.886 -2.571 -3.834 1.00 0.00 N ATOM 787 CA ILE A 51 0.051 -2.358 -2.738 1.00 0.00 C ATOM 788 C ILE A 51 1.260 -1.550 -3.198 1.00 0.00 C ATOM 789 O ILE A 51 1.731 -0.661 -2.489 1.00 0.00 O ATOM 790 CB ILE A 51 0.537 -3.694 -2.145 1.00 0.00 C ATOM 791 CG1 ILE A 51 -0.587 -4.364 -1.352 1.00 0.00 C ATOM 792 CG2 ILE A 51 1.755 -3.470 -1.262 1.00 0.00 C ATOM 793 CD1 ILE A 51 -0.208 -5.716 -0.790 1.00 0.00 C ATOM 0 H ILE A 51 -0.955 -3.539 -4.148 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.484 -1.801 -1.969 1.00 0.00 H new ATOM 0 HB ILE A 51 0.823 -4.355 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.883 -3.709 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.457 -4.479 -1.998 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.086 -4.423 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.558 -3.032 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.495 -2.794 -0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.053 -6.131 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.059 -6.387 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.643 -5.605 -0.118 1.00 0.00 H new ATOM 805 N ASP A 52 1.755 -1.863 -4.390 1.00 0.00 N ATOM 806 CA ASP A 52 2.907 -1.164 -4.947 1.00 0.00 C ATOM 807 C ASP A 52 2.595 0.314 -5.161 1.00 0.00 C ATOM 808 O ASP A 52 3.377 1.185 -4.783 1.00 0.00 O ATOM 809 CB ASP A 52 3.330 -1.806 -6.270 1.00 0.00 C ATOM 810 CG ASP A 52 4.687 -1.322 -6.740 1.00 0.00 C ATOM 811 OD1 ASP A 52 4.832 -0.106 -6.982 1.00 0.00 O ATOM 812 OD2 ASP A 52 5.605 -2.160 -6.867 1.00 0.00 O ATOM 0 H ASP A 52 1.377 -2.596 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 52 3.728 -1.244 -4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.354 -2.889 -6.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.584 -1.584 -7.033 1.00 0.00 H new ATOM 817 N SER A 53 1.446 0.588 -5.772 1.00 0.00 N ATOM 818 CA SER A 53 1.032 1.960 -6.041 1.00 0.00 C ATOM 819 C SER A 53 0.925 2.759 -4.746 1.00 0.00 C ATOM 820 O SER A 53 1.381 3.900 -4.669 1.00 0.00 O ATOM 821 CB SER A 53 -0.310 1.975 -6.776 1.00 0.00 C ATOM 822 OG SER A 53 -0.606 3.270 -7.270 1.00 0.00 O ATOM 0 H SER A 53 0.786 -0.122 -6.090 1.00 0.00 H new ATOM 0 HA SER A 53 1.789 2.425 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.284 1.264 -7.602 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.102 1.650 -6.101 1.00 0.00 H new ATOM 0 HG SER A 53 -1.468 3.253 -7.737 1.00 0.00 H new ATOM 828 N TRP A 54 0.320 2.152 -3.732 1.00 0.00 N ATOM 829 CA TRP A 54 0.153 2.806 -2.439 1.00 0.00 C ATOM 830 C TRP A 54 1.498 3.251 -1.876 1.00 0.00 C ATOM 831 O TRP A 54 1.580 4.241 -1.148 1.00 0.00 O ATOM 832 CB TRP A 54 -0.540 1.864 -1.453 1.00 0.00 C ATOM 833 CG TRP A 54 -0.703 2.452 -0.085 1.00 0.00 C ATOM 834 CD1 TRP A 54 -1.840 2.995 0.443 1.00 0.00 C ATOM 835 CD2 TRP A 54 0.302 2.557 0.929 1.00 0.00 C ATOM 836 NE1 TRP A 54 -1.601 3.432 1.724 1.00 0.00 N ATOM 837 CE2 TRP A 54 -0.295 3.174 2.046 1.00 0.00 C ATOM 838 CE3 TRP A 54 1.648 2.188 1.003 1.00 0.00 C ATOM 839 CZ2 TRP A 54 0.410 3.430 3.219 1.00 0.00 C ATOM 840 CZ3 TRP A 54 2.346 2.443 2.168 1.00 0.00 C ATOM 841 CH2 TRP A 54 1.726 3.058 3.264 1.00 0.00 C ATOM 0 H TRP A 54 -0.063 1.208 -3.780 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.469 3.689 -2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.521 1.597 -1.845 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.035 0.941 -1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.787 3.070 -0.071 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.285 3.877 2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.134 1.712 0.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.065 3.906 4.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.387 2.164 2.235 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.298 3.242 4.161 1.00 0.00 H new ATOM 852 N PHE A 55 2.551 2.515 -2.217 1.00 0.00 N ATOM 853 CA PHE A 55 3.893 2.834 -1.744 1.00 0.00 C ATOM 854 C PHE A 55 4.468 4.025 -2.505 1.00 0.00 C ATOM 855 O PHE A 55 4.975 4.973 -1.904 1.00 0.00 O ATOM 856 CB PHE A 55 4.813 1.622 -1.900 1.00 0.00 C ATOM 857 CG PHE A 55 4.791 0.697 -0.717 1.00 0.00 C ATOM 858 CD1 PHE A 55 5.169 1.146 0.538 1.00 0.00 C ATOM 859 CD2 PHE A 55 4.394 -0.623 -0.861 1.00 0.00 C ATOM 860 CE1 PHE A 55 5.149 0.298 1.629 1.00 0.00 C ATOM 861 CE2 PHE A 55 4.373 -1.476 0.226 1.00 0.00 C ATOM 862 CZ PHE A 55 4.752 -1.016 1.472 1.00 0.00 C ATOM 0 H PHE A 55 2.501 1.693 -2.819 1.00 0.00 H new ATOM 0 HA PHE A 55 3.827 3.097 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.521 1.066 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.834 1.969 -2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.483 2.171 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.098 -0.989 -1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.443 0.662 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.060 -2.502 0.101 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.738 -1.682 2.322 1.00 0.00 H new ATOM 872 N SER A 56 4.387 3.969 -3.830 1.00 0.00 N ATOM 873 CA SER A 56 4.903 5.040 -4.674 1.00 0.00 C ATOM 874 C SER A 56 4.167 6.348 -4.402 1.00 0.00 C ATOM 875 O SER A 56 4.682 7.431 -4.680 1.00 0.00 O ATOM 876 CB SER A 56 4.769 4.664 -6.151 1.00 0.00 C ATOM 877 OG SER A 56 5.513 5.546 -6.972 1.00 0.00 O ATOM 0 H SER A 56 3.969 3.193 -4.343 1.00 0.00 H new ATOM 0 HA SER A 56 5.958 5.180 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.116 3.642 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.719 4.690 -6.442 1.00 0.00 H new ATOM 0 HG SER A 56 5.412 5.283 -7.911 1.00 0.00 H new ATOM 883 N GLU A 57 2.959 6.239 -3.857 1.00 0.00 N ATOM 884 CA GLU A 57 2.152 7.413 -3.548 1.00 0.00 C ATOM 885 C GLU A 57 2.326 7.824 -2.089 1.00 0.00 C ATOM 886 O GLU A 57 2.065 8.969 -1.721 1.00 0.00 O ATOM 887 CB GLU A 57 0.676 7.136 -3.839 1.00 0.00 C ATOM 888 CG GLU A 57 0.312 7.257 -5.310 1.00 0.00 C ATOM 889 CD GLU A 57 -1.154 7.581 -5.523 1.00 0.00 C ATOM 890 OE1 GLU A 57 -1.980 6.645 -5.488 1.00 0.00 O ATOM 891 OE2 GLU A 57 -1.475 8.771 -5.724 1.00 0.00 O ATOM 0 H GLU A 57 2.518 5.350 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 57 2.492 8.233 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.428 6.132 -3.494 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.064 7.831 -3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.923 8.035 -5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.551 6.323 -5.818 1.00 0.00 H new ATOM 898 N ARG A 58 2.767 6.881 -1.263 1.00 0.00 N ATOM 899 CA ARG A 58 2.974 7.143 0.156 1.00 0.00 C ATOM 900 C ARG A 58 4.406 7.599 0.421 1.00 0.00 C ATOM 901 O ARG A 58 4.636 8.703 0.915 1.00 0.00 O ATOM 902 CB ARG A 58 2.665 5.891 0.978 1.00 0.00 C ATOM 903 CG ARG A 58 2.869 6.078 2.473 1.00 0.00 C ATOM 904 CD ARG A 58 1.645 6.698 3.129 1.00 0.00 C ATOM 905 NE ARG A 58 1.774 6.759 4.582 1.00 0.00 N ATOM 906 CZ ARG A 58 2.414 7.731 5.223 1.00 0.00 C ATOM 907 NH1 ARG A 58 2.978 8.719 4.542 1.00 0.00 N ATOM 908 NH2 ARG A 58 2.489 7.716 6.548 1.00 0.00 N ATOM 0 H ARG A 58 2.988 5.928 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 58 2.295 7.942 0.455 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.633 5.592 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.299 5.074 0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.082 5.114 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.737 6.714 2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.493 7.703 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.760 6.117 2.868 1.00 0.00 H new ATOM 0 HE ARG A 58 1.350 6.015 5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.921 8.734 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.469 9.464 5.036 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.055 6.958 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 58 2.981 8.463 7.039 1.00 0.00 H new ATOM 922 N ARG A 59 5.365 6.740 0.091 1.00 0.00 N ATOM 923 CA ARG A 59 6.775 7.053 0.296 1.00 0.00 C ATOM 924 C ARG A 59 7.131 8.395 -0.337 1.00 0.00 C ATOM 925 O ARG A 59 8.048 9.082 0.112 1.00 0.00 O ATOM 926 CB ARG A 59 7.655 5.950 -0.294 1.00 0.00 C ATOM 927 CG ARG A 59 7.877 6.082 -1.792 1.00 0.00 C ATOM 928 CD ARG A 59 9.001 5.177 -2.271 1.00 0.00 C ATOM 929 NE ARG A 59 9.696 5.733 -3.429 1.00 0.00 N ATOM 930 CZ ARG A 59 9.291 5.560 -4.682 1.00 0.00 C ATOM 931 NH1 ARG A 59 8.200 4.850 -4.937 1.00 0.00 N ATOM 932 NH2 ARG A 59 9.977 6.098 -5.682 1.00 0.00 N ATOM 0 H ARG A 59 5.192 5.822 -0.319 1.00 0.00 H new ATOM 0 HA ARG A 59 6.955 7.117 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.621 5.960 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.197 4.983 -0.087 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.957 5.832 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.113 7.118 -2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.713 5.023 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.594 4.199 -2.528 1.00 0.00 H new ATOM 0 HE ARG A 59 10.539 6.284 -3.267 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.670 4.436 -4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.891 4.718 -5.900 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.816 6.645 -5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.665 5.965 -6.644 1.00 0.00 H new ATOM 946 N LYS A 60 6.399 8.763 -1.384 1.00 0.00 N ATOM 947 CA LYS A 60 6.636 10.022 -2.079 1.00 0.00 C ATOM 948 C LYS A 60 6.036 11.192 -1.305 1.00 0.00 C ATOM 949 O LYS A 60 6.548 12.310 -1.355 1.00 0.00 O ATOM 950 CB LYS A 60 6.041 9.970 -3.488 1.00 0.00 C ATOM 951 CG LYS A 60 4.526 10.085 -3.513 1.00 0.00 C ATOM 952 CD LYS A 60 4.032 10.658 -4.831 1.00 0.00 C ATOM 953 CE LYS A 60 4.189 9.660 -5.967 1.00 0.00 C ATOM 954 NZ LYS A 60 4.060 10.312 -7.300 1.00 0.00 N ATOM 0 H LYS A 60 5.636 8.206 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 60 7.713 10.171 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.468 10.777 -4.084 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.334 9.034 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.083 9.102 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.195 10.721 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.984 10.940 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.587 11.567 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.162 9.175 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.435 8.878 -5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.173 9.598 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.122 10.753 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.795 11.041 -7.403 1.00 0.00 H new ATOM 968 N LYS A 61 4.949 10.926 -0.589 1.00 0.00 N ATOM 969 CA LYS A 61 4.280 11.956 0.198 1.00 0.00 C ATOM 970 C LYS A 61 5.164 12.419 1.351 1.00 0.00 C ATOM 971 O LYS A 61 5.183 13.601 1.696 1.00 0.00 O ATOM 972 CB LYS A 61 2.950 11.428 0.741 1.00 0.00 C ATOM 973 CG LYS A 61 2.214 12.424 1.620 1.00 0.00 C ATOM 974 CD LYS A 61 0.820 11.933 1.973 1.00 0.00 C ATOM 975 CE LYS A 61 -0.106 13.088 2.321 1.00 0.00 C ATOM 976 NZ LYS A 61 -0.705 13.705 1.104 1.00 0.00 N ATOM 0 H LYS A 61 4.512 10.006 -0.537 1.00 0.00 H new ATOM 0 HA LYS A 61 4.087 12.808 -0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.309 11.152 -0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.136 10.519 1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.783 12.594 2.534 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.144 13.382 1.105 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.407 11.374 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.878 11.245 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.901 12.732 2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.449 13.844 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.330 14.488 1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.052 14.068 0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.256 12.990 0.588 1.00 0.00 H new