USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 580 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -0.75 K(o=-0.75,f=-2.6) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -4.37! (180deg=-5.21!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 137:sc= -2.86 (180deg=-7.53!) USER MOD Single : A 39 TYR OH : rot -127:sc= 0.949 USER MOD Single : A 52 ASN : amide:sc= -9.44! C(o=-9.4!,f=-21!) USER MOD Single : A 55 MET CE :methyl 179:sc= -1.42 (180deg=-1.49) USER MOD Single : A 60 GLN : amide:sc= -3.71! C(o=-3.7!,f=-3.3!) USER MOD Single : A 65 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.7!) USER MOD Single : A 72 MET CE :methyl -149:sc= -1.53 (180deg=-4.65!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 148 N PHE A 13 9.034 -4.027 -3.437 1.00 0.00 N ATOM 149 CA PHE A 13 9.547 -3.259 -2.308 1.00 0.00 C ATOM 150 C PHE A 13 8.403 -2.692 -1.472 1.00 0.00 C ATOM 151 O PHE A 13 7.329 -2.388 -1.992 1.00 0.00 O ATOM 152 CB PHE A 13 10.444 -2.123 -2.803 1.00 0.00 C ATOM 153 CG PHE A 13 9.681 -0.955 -3.360 1.00 0.00 C ATOM 154 CD1 PHE A 13 9.353 -0.903 -4.705 1.00 0.00 C ATOM 155 CD2 PHE A 13 9.293 0.090 -2.538 1.00 0.00 C ATOM 156 CE1 PHE A 13 8.650 0.170 -5.220 1.00 0.00 C ATOM 157 CE2 PHE A 13 8.590 1.166 -3.047 1.00 0.00 C ATOM 158 CZ PHE A 13 8.269 1.206 -4.390 1.00 0.00 C ATOM 0 HA PHE A 13 10.134 -3.929 -1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 13 11.069 -1.779 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 13 11.114 -2.509 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.650 -1.710 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 13 9.542 0.064 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.399 0.198 -6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.292 1.974 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.721 2.046 -4.790 1.00 0.00 H new ATOM 168 N THR A 14 8.642 -2.553 -0.172 1.00 0.00 N ATOM 169 CA THR A 14 7.633 -2.024 0.738 1.00 0.00 C ATOM 170 C THR A 14 7.765 -0.513 0.887 1.00 0.00 C ATOM 171 O THR A 14 8.815 0.060 0.595 1.00 0.00 O ATOM 172 CB THR A 14 7.734 -2.677 2.129 1.00 0.00 C ATOM 173 OG1 THR A 14 9.047 -2.485 2.667 1.00 0.00 O ATOM 174 CG2 THR A 14 7.424 -4.165 2.053 1.00 0.00 C ATOM 0 H THR A 14 9.525 -2.799 0.275 1.00 0.00 H new ATOM 0 HA THR A 14 6.661 -2.260 0.304 1.00 0.00 H new ATOM 0 HB THR A 14 7.002 -2.202 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.102 -2.902 3.552 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.502 -4.604 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.413 -4.307 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.135 -4.651 1.385 1.00 0.00 H new ATOM 182 N VAL A 15 6.694 0.128 1.345 1.00 0.00 N ATOM 183 CA VAL A 15 6.692 1.573 1.536 1.00 0.00 C ATOM 184 C VAL A 15 6.459 1.935 2.998 1.00 0.00 C ATOM 185 O VAL A 15 5.765 1.220 3.722 1.00 0.00 O ATOM 186 CB VAL A 15 5.611 2.251 0.672 1.00 0.00 C ATOM 187 CG1 VAL A 15 5.635 3.759 0.874 1.00 0.00 C ATOM 188 CG2 VAL A 15 5.804 1.898 -0.795 1.00 0.00 C ATOM 0 H VAL A 15 5.817 -0.331 1.591 1.00 0.00 H new ATOM 0 HA VAL A 15 7.673 1.934 1.228 1.00 0.00 H new ATOM 0 HB VAL A 15 4.634 1.882 0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.865 4.221 0.256 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.445 3.989 1.922 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.612 4.149 0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.032 2.385 -1.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.786 2.238 -1.125 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.733 0.818 -0.922 1.00 0.00 H new ATOM 198 N ASP A 16 7.042 3.048 3.427 1.00 0.00 N ATOM 199 CA ASP A 16 6.897 3.506 4.804 1.00 0.00 C ATOM 200 C ASP A 16 6.637 5.009 4.853 1.00 0.00 C ATOM 201 O ASP A 16 7.464 5.806 4.412 1.00 0.00 O ATOM 202 CB ASP A 16 8.151 3.167 5.612 1.00 0.00 C ATOM 203 CG ASP A 16 8.046 3.611 7.058 1.00 0.00 C ATOM 204 OD1 ASP A 16 7.287 2.976 7.819 1.00 0.00 O ATOM 205 OD2 ASP A 16 8.722 4.594 7.428 1.00 0.00 O ATOM 0 H ASP A 16 7.620 3.651 2.841 1.00 0.00 H new ATOM 0 HA ASP A 16 6.041 2.993 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.322 2.091 5.577 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.016 3.643 5.151 1.00 0.00 H new ATOM 210 N MET A 17 5.482 5.387 5.390 1.00 0.00 N ATOM 211 CA MET A 17 5.113 6.794 5.496 1.00 0.00 C ATOM 212 C MET A 17 4.173 7.022 6.675 1.00 0.00 C ATOM 213 O MET A 17 3.665 6.071 7.268 1.00 0.00 O ATOM 214 CB MET A 17 4.450 7.268 4.201 1.00 0.00 C ATOM 215 CG MET A 17 4.941 6.535 2.963 1.00 0.00 C ATOM 216 SD MET A 17 4.157 7.125 1.450 1.00 0.00 S ATOM 217 CE MET A 17 2.439 7.166 1.953 1.00 0.00 C ATOM 0 H MET A 17 4.786 4.739 5.758 1.00 0.00 H new ATOM 0 HA MET A 17 6.023 7.371 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.371 7.138 4.286 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.634 8.335 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 17 6.021 6.655 2.879 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.747 5.468 3.076 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.804 7.249 1.071 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.195 6.250 2.490 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.271 8.024 2.604 1.00 0.00 H new ATOM 227 N GLU A 18 3.947 8.289 7.010 1.00 0.00 N ATOM 228 CA GLU A 18 3.069 8.640 8.120 1.00 0.00 C ATOM 229 C GLU A 18 1.916 9.519 7.644 1.00 0.00 C ATOM 230 O GLU A 18 1.863 9.917 6.480 1.00 0.00 O ATOM 231 CB GLU A 18 3.858 9.363 9.214 1.00 0.00 C ATOM 232 CG GLU A 18 4.414 8.433 10.279 1.00 0.00 C ATOM 233 CD GLU A 18 5.586 9.038 11.028 1.00 0.00 C ATOM 234 OE1 GLU A 18 6.734 8.877 10.564 1.00 0.00 O ATOM 235 OE2 GLU A 18 5.353 9.672 12.078 1.00 0.00 O ATOM 0 H GLU A 18 4.359 9.088 6.529 1.00 0.00 H new ATOM 0 HA GLU A 18 2.656 7.718 8.529 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.682 9.910 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.211 10.101 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.624 8.185 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.729 7.499 9.813 1.00 0.00 H new ATOM 242 N LYS A 19 0.993 9.817 8.552 1.00 0.00 N ATOM 243 CA LYS A 19 -0.160 10.649 8.228 1.00 0.00 C ATOM 244 C LYS A 19 0.187 12.129 8.346 1.00 0.00 C ATOM 245 O LYS A 19 1.069 12.511 9.114 1.00 0.00 O ATOM 246 CB LYS A 19 -1.332 10.314 9.153 1.00 0.00 C ATOM 247 CG LYS A 19 -2.687 10.682 8.575 1.00 0.00 C ATOM 248 CD LYS A 19 -3.793 9.808 9.143 1.00 0.00 C ATOM 249 CE LYS A 19 -3.977 8.539 8.325 1.00 0.00 C ATOM 250 NZ LYS A 19 -4.866 8.760 7.151 1.00 0.00 N ATOM 0 H LYS A 19 1.021 9.494 9.519 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.448 10.442 7.197 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.318 9.246 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.197 10.836 10.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.903 11.729 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.661 10.578 7.490 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.558 9.546 10.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.728 10.369 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.005 8.183 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.398 7.757 8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.966 7.872 6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.802 9.075 7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.452 9.488 6.534 1.00 0.00 H new ATOM 330 N GLY A 25 -1.269 12.019 2.382 1.00 0.00 N ATOM 331 CA GLY A 25 -0.999 12.850 1.223 1.00 0.00 C ATOM 332 C GLY A 25 -0.806 12.036 -0.041 1.00 0.00 C ATOM 333 O GLY A 25 0.054 12.350 -0.865 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.824 13.548 1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.106 13.446 1.407 1.00 0.00 H new ATOM 337 N PHE A 26 -1.605 10.985 -0.195 1.00 0.00 N ATOM 338 CA PHE A 26 -1.516 10.122 -1.366 1.00 0.00 C ATOM 339 C PHE A 26 -2.857 9.452 -1.652 1.00 0.00 C ATOM 340 O PHE A 26 -3.593 9.095 -0.732 1.00 0.00 O ATOM 341 CB PHE A 26 -0.436 9.058 -1.161 1.00 0.00 C ATOM 342 CG PHE A 26 -0.953 7.790 -0.544 1.00 0.00 C ATOM 343 CD1 PHE A 26 -1.844 6.982 -1.233 1.00 0.00 C ATOM 344 CD2 PHE A 26 -0.548 7.404 0.723 1.00 0.00 C ATOM 345 CE1 PHE A 26 -2.322 5.815 -0.667 1.00 0.00 C ATOM 346 CE2 PHE A 26 -1.022 6.238 1.294 1.00 0.00 C ATOM 347 CZ PHE A 26 -1.910 5.442 0.597 1.00 0.00 C ATOM 0 H PHE A 26 -2.322 10.711 0.477 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.249 10.741 -2.222 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.020 8.825 -2.123 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.350 9.467 -0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.168 7.267 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.147 8.022 1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.018 5.195 -1.213 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.699 5.950 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.281 4.530 1.040 1.00 0.00 H new ATOM 357 N SER A 27 -3.168 9.286 -2.933 1.00 0.00 N ATOM 358 CA SER A 27 -4.422 8.664 -3.342 1.00 0.00 C ATOM 359 C SER A 27 -4.162 7.441 -4.216 1.00 0.00 C ATOM 360 O SER A 27 -3.088 7.300 -4.801 1.00 0.00 O ATOM 361 CB SER A 27 -5.292 9.670 -4.097 1.00 0.00 C ATOM 362 OG SER A 27 -6.601 9.164 -4.295 1.00 0.00 O ATOM 0 H SER A 27 -2.568 9.574 -3.706 1.00 0.00 H new ATOM 0 HA SER A 27 -4.949 8.341 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.341 10.605 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.837 9.898 -5.061 1.00 0.00 H new ATOM 0 HG SER A 27 -7.138 9.826 -4.778 1.00 0.00 H new ATOM 368 N ILE A 28 -5.154 6.561 -4.300 1.00 0.00 N ATOM 369 CA ILE A 28 -5.034 5.350 -5.103 1.00 0.00 C ATOM 370 C ILE A 28 -6.078 5.322 -6.214 1.00 0.00 C ATOM 371 O ILE A 28 -6.996 6.142 -6.238 1.00 0.00 O ATOM 372 CB ILE A 28 -5.185 4.084 -4.239 1.00 0.00 C ATOM 373 CG1 ILE A 28 -6.012 4.389 -2.989 1.00 0.00 C ATOM 374 CG2 ILE A 28 -3.818 3.538 -3.856 1.00 0.00 C ATOM 375 CD1 ILE A 28 -6.530 3.152 -2.290 1.00 0.00 C ATOM 0 H ILE A 28 -6.049 6.664 -3.822 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.037 5.361 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.708 3.325 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.402 4.962 -2.291 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.856 5.020 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.941 2.643 -3.246 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.260 3.287 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.271 4.291 -3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.107 3.445 -1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.167 2.588 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.690 2.530 -1.981 1.00 0.00 H new ATOM 387 N ARG A 29 -5.932 4.371 -7.131 1.00 0.00 N ATOM 388 CA ARG A 29 -6.864 4.235 -8.245 1.00 0.00 C ATOM 389 C ARG A 29 -7.044 2.769 -8.626 1.00 0.00 C ATOM 390 O ARG A 29 -6.266 1.909 -8.215 1.00 0.00 O ATOM 391 CB ARG A 29 -6.366 5.030 -9.453 1.00 0.00 C ATOM 392 CG ARG A 29 -5.226 4.355 -10.199 1.00 0.00 C ATOM 393 CD ARG A 29 -5.158 4.814 -11.647 1.00 0.00 C ATOM 394 NE ARG A 29 -4.451 6.084 -11.786 1.00 0.00 N ATOM 395 CZ ARG A 29 -4.310 6.724 -12.942 1.00 0.00 C ATOM 396 NH1 ARG A 29 -4.826 6.215 -14.052 1.00 0.00 N ATOM 397 NH2 ARG A 29 -3.653 7.875 -12.989 1.00 0.00 N ATOM 0 H ARG A 29 -5.178 3.684 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.829 4.632 -7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.197 5.187 -10.141 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.038 6.014 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.282 4.577 -9.701 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.357 3.273 -10.165 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.657 4.053 -12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.168 4.916 -12.043 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.043 6.503 -10.950 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.333 5.330 -14.020 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.716 6.708 -14.938 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.255 8.270 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.546 8.365 -13.877 1.00 0.00 H new ATOM 411 N GLY A 30 -8.078 2.491 -9.415 1.00 0.00 N ATOM 412 CA GLY A 30 -8.343 1.128 -9.838 1.00 0.00 C ATOM 413 C GLY A 30 -8.964 0.290 -8.739 1.00 0.00 C ATOM 414 O GLY A 30 -9.384 0.817 -7.709 1.00 0.00 O ATOM 0 H GLY A 30 -8.736 3.185 -9.769 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.009 1.142 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.411 0.664 -10.162 1.00 0.00 H new ATOM 418 N GLY A 31 -9.024 -1.020 -8.958 1.00 0.00 N ATOM 419 CA GLY A 31 -9.602 -1.911 -7.969 1.00 0.00 C ATOM 420 C GLY A 31 -10.610 -2.870 -8.571 1.00 0.00 C ATOM 421 O GLY A 31 -10.970 -2.748 -9.742 1.00 0.00 O ATOM 0 H GLY A 31 -8.683 -1.480 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.806 -2.480 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.086 -1.320 -7.191 1.00 0.00 H new ATOM 425 N ARG A 32 -11.063 -3.829 -7.771 1.00 0.00 N ATOM 426 CA ARG A 32 -12.033 -4.815 -8.233 1.00 0.00 C ATOM 427 C ARG A 32 -13.240 -4.133 -8.871 1.00 0.00 C ATOM 428 O ARG A 32 -13.895 -4.701 -9.744 1.00 0.00 O ATOM 429 CB ARG A 32 -12.488 -5.698 -7.070 1.00 0.00 C ATOM 430 CG ARG A 32 -11.635 -6.941 -6.878 1.00 0.00 C ATOM 431 CD ARG A 32 -11.895 -7.969 -7.968 1.00 0.00 C ATOM 432 NE ARG A 32 -13.241 -8.528 -7.883 1.00 0.00 N ATOM 433 CZ ARG A 32 -13.690 -9.488 -8.684 1.00 0.00 C ATOM 434 NH1 ARG A 32 -12.904 -9.993 -9.625 1.00 0.00 N ATOM 435 NH2 ARG A 32 -14.928 -9.944 -8.546 1.00 0.00 N ATOM 0 H ARG A 32 -10.774 -3.945 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.550 -5.438 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.472 -5.111 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.522 -6.000 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.581 -6.664 -6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.846 -7.381 -5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.756 -7.505 -8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.163 -8.773 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.871 -8.161 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.952 -9.644 -9.735 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.252 -10.730 -10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.536 -9.557 -7.824 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.272 -10.681 -9.162 1.00 0.00 H new ATOM 449 N GLU A 33 -13.527 -2.914 -8.427 1.00 0.00 N ATOM 450 CA GLU A 33 -14.656 -2.156 -8.955 1.00 0.00 C ATOM 451 C GLU A 33 -14.478 -1.880 -10.445 1.00 0.00 C ATOM 452 O GLU A 33 -15.439 -1.914 -11.213 1.00 0.00 O ATOM 453 CB GLU A 33 -14.812 -0.837 -8.195 1.00 0.00 C ATOM 454 CG GLU A 33 -16.038 -0.039 -8.608 1.00 0.00 C ATOM 455 CD GLU A 33 -17.309 -0.864 -8.577 1.00 0.00 C ATOM 456 OE1 GLU A 33 -17.903 -0.999 -7.487 1.00 0.00 O ATOM 457 OE2 GLU A 33 -17.710 -1.376 -9.643 1.00 0.00 O ATOM 0 H GLU A 33 -12.995 -2.430 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.557 -2.754 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.868 -1.047 -7.127 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.922 -0.228 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.149 0.818 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.889 0.354 -9.614 1.00 0.00 H new ATOM 464 N TYR A 34 -13.241 -1.606 -10.846 1.00 0.00 N ATOM 465 CA TYR A 34 -12.936 -1.321 -12.243 1.00 0.00 C ATOM 466 C TYR A 34 -12.200 -2.491 -12.889 1.00 0.00 C ATOM 467 O TYR A 34 -11.698 -2.382 -14.008 1.00 0.00 O ATOM 468 CB TYR A 34 -12.093 -0.050 -12.353 1.00 0.00 C ATOM 469 CG TYR A 34 -12.488 1.026 -11.367 1.00 0.00 C ATOM 470 CD1 TYR A 34 -13.541 1.891 -11.636 1.00 0.00 C ATOM 471 CD2 TYR A 34 -11.806 1.178 -10.165 1.00 0.00 C ATOM 472 CE1 TYR A 34 -13.905 2.875 -10.738 1.00 0.00 C ATOM 473 CE2 TYR A 34 -12.163 2.159 -9.261 1.00 0.00 C ATOM 474 CZ TYR A 34 -13.213 3.005 -9.551 1.00 0.00 C ATOM 475 OH TYR A 34 -13.572 3.984 -8.653 1.00 0.00 O ATOM 0 H TYR A 34 -12.434 -1.575 -10.223 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.877 -1.171 -12.771 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.045 -0.305 -12.199 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.179 0.347 -13.365 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -14.085 1.792 -12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.983 0.518 -9.934 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -14.726 3.539 -10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.623 2.263 -8.332 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.986 3.940 -7.869 1.00 0.00 H new ATOM 485 N LYS A 35 -12.140 -3.610 -12.176 1.00 0.00 N ATOM 486 CA LYS A 35 -11.468 -4.803 -12.678 1.00 0.00 C ATOM 487 C LYS A 35 -10.021 -4.496 -13.050 1.00 0.00 C ATOM 488 O LYS A 35 -9.560 -4.851 -14.134 1.00 0.00 O ATOM 489 CB LYS A 35 -12.211 -5.358 -13.895 1.00 0.00 C ATOM 490 CG LYS A 35 -13.627 -5.814 -13.587 1.00 0.00 C ATOM 491 CD LYS A 35 -13.634 -7.093 -12.766 1.00 0.00 C ATOM 492 CE LYS A 35 -14.961 -7.826 -12.889 1.00 0.00 C ATOM 493 NZ LYS A 35 -16.014 -7.215 -12.032 1.00 0.00 N ATOM 0 H LYS A 35 -12.549 -3.716 -11.248 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.471 -5.552 -11.886 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -12.245 -4.592 -14.670 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.648 -6.198 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -14.153 -5.029 -13.044 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.169 -5.975 -14.519 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.825 -7.744 -13.098 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.444 -6.856 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.287 -7.814 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.826 -8.871 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.903 -7.743 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.714 -7.249 -11.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.161 -6.225 -12.316 1.00 0.00 H new ATOM 507 N MET A 36 -9.309 -3.835 -12.143 1.00 0.00 N ATOM 508 CA MET A 36 -7.913 -3.483 -12.375 1.00 0.00 C ATOM 509 C MET A 36 -7.146 -3.402 -11.059 1.00 0.00 C ATOM 510 O MET A 36 -7.744 -3.304 -9.987 1.00 0.00 O ATOM 511 CB MET A 36 -7.818 -2.149 -13.118 1.00 0.00 C ATOM 512 CG MET A 36 -8.467 -0.993 -12.375 1.00 0.00 C ATOM 513 SD MET A 36 -8.898 0.378 -13.464 1.00 0.00 S ATOM 514 CE MET A 36 -7.825 1.665 -12.829 1.00 0.00 C ATOM 0 H MET A 36 -9.676 -3.532 -11.241 1.00 0.00 H new ATOM 0 HA MET A 36 -7.464 -4.265 -12.988 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.768 -1.914 -13.293 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.289 -2.252 -14.095 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.366 -1.349 -11.872 1.00 0.00 H new ATOM 0 HG3 MET A 36 -7.788 -0.637 -11.600 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.375 2.207 -13.661 1.00 0.00 H new ATOM 0 HE2 MET A 36 -8.407 2.356 -12.219 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.040 1.217 -12.221 1.00 0.00 H new ATOM 524 N ASP A 37 -5.821 -3.443 -11.147 1.00 0.00 N ATOM 525 CA ASP A 37 -4.973 -3.373 -9.963 1.00 0.00 C ATOM 526 C ASP A 37 -5.060 -1.996 -9.313 1.00 0.00 C ATOM 527 O ASP A 37 -5.604 -1.056 -9.895 1.00 0.00 O ATOM 528 CB ASP A 37 -3.522 -3.687 -10.330 1.00 0.00 C ATOM 529 CG ASP A 37 -3.408 -4.853 -11.293 1.00 0.00 C ATOM 530 OD1 ASP A 37 -3.683 -5.997 -10.875 1.00 0.00 O ATOM 531 OD2 ASP A 37 -3.043 -4.621 -12.464 1.00 0.00 O ATOM 0 H ASP A 37 -5.311 -3.524 -12.027 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.327 -4.115 -9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.064 -2.804 -10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.961 -3.913 -9.423 1.00 0.00 H new ATOM 536 N LEU A 38 -4.522 -1.883 -8.104 1.00 0.00 N ATOM 537 CA LEU A 38 -4.539 -0.620 -7.374 1.00 0.00 C ATOM 538 C LEU A 38 -3.250 0.162 -7.609 1.00 0.00 C ATOM 539 O LEU A 38 -2.158 -0.312 -7.294 1.00 0.00 O ATOM 540 CB LEU A 38 -4.728 -0.876 -5.878 1.00 0.00 C ATOM 541 CG LEU A 38 -6.096 -1.414 -5.457 1.00 0.00 C ATOM 542 CD1 LEU A 38 -5.966 -2.301 -4.228 1.00 0.00 C ATOM 543 CD2 LEU A 38 -7.061 -0.267 -5.189 1.00 0.00 C ATOM 0 H LEU A 38 -4.069 -2.650 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.375 -0.026 -7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.966 -1.583 -5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.547 0.057 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.495 -2.016 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.950 -2.675 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.310 -3.142 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.545 -1.723 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.029 -0.668 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.667 0.361 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.179 0.329 -6.094 1.00 0.00 H new ATOM 555 N TYR A 39 -3.386 1.363 -8.161 1.00 0.00 N ATOM 556 CA TYR A 39 -2.233 2.211 -8.438 1.00 0.00 C ATOM 557 C TYR A 39 -2.341 3.538 -7.693 1.00 0.00 C ATOM 558 O TYR A 39 -3.394 3.875 -7.150 1.00 0.00 O ATOM 559 CB TYR A 39 -2.109 2.465 -9.941 1.00 0.00 C ATOM 560 CG TYR A 39 -2.420 1.252 -10.788 1.00 0.00 C ATOM 561 CD1 TYR A 39 -3.733 0.857 -11.016 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.401 0.499 -11.359 1.00 0.00 C ATOM 563 CE1 TYR A 39 -4.021 -0.251 -11.788 1.00 0.00 C ATOM 564 CE2 TYR A 39 -1.681 -0.610 -12.134 1.00 0.00 C ATOM 565 CZ TYR A 39 -2.992 -0.981 -12.346 1.00 0.00 C ATOM 566 OH TYR A 39 -3.274 -2.086 -13.116 1.00 0.00 O ATOM 0 H TYR A 39 -4.283 1.771 -8.425 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.340 1.692 -8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.782 3.275 -10.221 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.096 2.802 -10.162 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.542 1.426 -10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.373 0.786 -11.194 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.047 -0.545 -11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.877 -1.183 -12.572 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.769 -2.856 -12.780 1.00 0.00 H new ATOM 576 N VAL A 40 -1.245 4.290 -7.674 1.00 0.00 N ATOM 577 CA VAL A 40 -1.216 5.582 -6.998 1.00 0.00 C ATOM 578 C VAL A 40 -1.805 6.676 -7.880 1.00 0.00 C ATOM 579 O VAL A 40 -1.125 7.221 -8.751 1.00 0.00 O ATOM 580 CB VAL A 40 0.219 5.975 -6.601 1.00 0.00 C ATOM 581 CG1 VAL A 40 0.255 7.400 -6.071 1.00 0.00 C ATOM 582 CG2 VAL A 40 0.773 5.000 -5.572 1.00 0.00 C ATOM 0 H VAL A 40 -0.366 4.027 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.820 5.482 -6.096 1.00 0.00 H new ATOM 0 HB VAL A 40 0.849 5.927 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.277 7.660 -5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.098 8.084 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.388 7.479 -5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.788 5.293 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.143 5.013 -4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.785 3.995 -5.993 1.00 0.00 H new ATOM 592 N LEU A 41 -3.074 6.996 -7.649 1.00 0.00 N ATOM 593 CA LEU A 41 -3.756 8.027 -8.422 1.00 0.00 C ATOM 594 C LEU A 41 -2.905 9.290 -8.517 1.00 0.00 C ATOM 595 O LEU A 41 -2.475 9.680 -9.603 1.00 0.00 O ATOM 596 CB LEU A 41 -5.109 8.357 -7.788 1.00 0.00 C ATOM 597 CG LEU A 41 -6.032 9.259 -8.607 1.00 0.00 C ATOM 598 CD1 LEU A 41 -5.355 10.588 -8.903 1.00 0.00 C ATOM 599 CD2 LEU A 41 -6.444 8.569 -9.900 1.00 0.00 C ATOM 0 H LEU A 41 -3.651 6.556 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.917 7.643 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.632 7.422 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.929 8.834 -6.824 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.930 9.454 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.027 11.217 -9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.112 11.089 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.440 10.412 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.101 9.226 -10.470 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.556 8.343 -10.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.970 7.643 -9.667 1.00 0.00 H new ATOM 611 N ARG A 42 -2.664 9.922 -7.373 1.00 0.00 N ATOM 612 CA ARG A 42 -1.864 11.139 -7.327 1.00 0.00 C ATOM 613 C ARG A 42 -1.127 11.255 -5.996 1.00 0.00 C ATOM 614 O ARG A 42 -1.287 10.414 -5.110 1.00 0.00 O ATOM 615 CB ARG A 42 -2.751 12.367 -7.540 1.00 0.00 C ATOM 616 CG ARG A 42 -3.674 12.662 -6.369 1.00 0.00 C ATOM 617 CD ARG A 42 -2.986 13.522 -5.320 1.00 0.00 C ATOM 618 NE ARG A 42 -3.937 14.084 -4.364 1.00 0.00 N ATOM 619 CZ ARG A 42 -4.735 15.110 -4.639 1.00 0.00 C ATOM 620 NH1 ARG A 42 -4.698 15.682 -5.835 1.00 0.00 N ATOM 621 NH2 ARG A 42 -5.573 15.565 -3.717 1.00 0.00 N ATOM 0 H ARG A 42 -3.012 9.611 -6.466 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.126 11.089 -8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.117 13.235 -7.720 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.352 12.219 -8.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.568 13.171 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.000 11.726 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.248 12.923 -4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.445 14.331 -5.812 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.991 13.666 -3.435 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.056 15.334 -6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.312 16.470 -6.043 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.605 15.127 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.185 16.353 -3.929 1.00 0.00 H new ATOM 635 N LEU A 43 -0.320 12.302 -5.862 1.00 0.00 N ATOM 636 CA LEU A 43 0.443 12.528 -4.639 1.00 0.00 C ATOM 637 C LEU A 43 0.268 13.961 -4.146 1.00 0.00 C ATOM 638 O LEU A 43 0.042 14.877 -4.936 1.00 0.00 O ATOM 639 CB LEU A 43 1.925 12.236 -4.877 1.00 0.00 C ATOM 640 CG LEU A 43 2.387 10.812 -4.568 1.00 0.00 C ATOM 641 CD1 LEU A 43 3.855 10.637 -4.925 1.00 0.00 C ATOM 642 CD2 LEU A 43 2.149 10.480 -3.102 1.00 0.00 C ATOM 0 H LEU A 43 -0.177 13.007 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 43 0.065 11.851 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.154 12.452 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.512 12.926 -4.272 1.00 0.00 H new ATOM 0 HG LEU A 43 1.802 10.121 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.166 9.617 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.997 10.831 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.456 11.337 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.484 9.462 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.707 11.176 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.085 10.563 -2.878 1.00 0.00 H new ATOM 654 N ALA A 44 0.376 14.147 -2.834 1.00 0.00 N ATOM 655 CA ALA A 44 0.234 15.468 -2.236 1.00 0.00 C ATOM 656 C ALA A 44 1.583 16.171 -2.130 1.00 0.00 C ATOM 657 O ALA A 44 2.464 15.733 -1.391 1.00 0.00 O ATOM 658 CB ALA A 44 -0.416 15.360 -0.864 1.00 0.00 C ATOM 0 H ALA A 44 0.561 13.399 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.408 16.065 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.516 16.355 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.402 14.907 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.204 14.741 -0.215 1.00 0.00 H new ATOM 664 N GLU A 45 1.737 17.262 -2.874 1.00 0.00 N ATOM 665 CA GLU A 45 2.981 18.023 -2.863 1.00 0.00 C ATOM 666 C GLU A 45 3.346 18.451 -1.444 1.00 0.00 C ATOM 667 O GLU A 45 4.517 18.664 -1.131 1.00 0.00 O ATOM 668 CB GLU A 45 2.858 19.255 -3.763 1.00 0.00 C ATOM 669 CG GLU A 45 1.579 20.044 -3.543 1.00 0.00 C ATOM 670 CD GLU A 45 0.442 19.571 -4.428 1.00 0.00 C ATOM 671 OE1 GLU A 45 0.666 19.410 -5.646 1.00 0.00 O ATOM 672 OE2 GLU A 45 -0.671 19.361 -3.903 1.00 0.00 O ATOM 0 H GLU A 45 1.017 17.638 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 45 3.774 17.380 -3.245 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.713 19.909 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.905 18.939 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.280 19.960 -2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.770 21.100 -3.736 1.00 0.00 H new ATOM 679 N ASP A 46 2.334 18.574 -0.592 1.00 0.00 N ATOM 680 CA ASP A 46 2.547 18.975 0.794 1.00 0.00 C ATOM 681 C ASP A 46 2.239 17.824 1.746 1.00 0.00 C ATOM 682 O ASP A 46 1.964 18.037 2.926 1.00 0.00 O ATOM 683 CB ASP A 46 1.675 20.184 1.137 1.00 0.00 C ATOM 684 CG ASP A 46 0.248 19.793 1.468 1.00 0.00 C ATOM 685 OD1 ASP A 46 -0.389 19.115 0.635 1.00 0.00 O ATOM 686 OD2 ASP A 46 -0.232 20.166 2.559 1.00 0.00 O ATOM 0 H ASP A 46 1.359 18.402 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 46 3.596 19.248 0.910 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.110 20.713 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.673 20.877 0.296 1.00 0.00 H new ATOM 691 N GLY A 47 2.288 16.601 1.225 1.00 0.00 N ATOM 692 CA GLY A 47 2.011 15.435 2.042 1.00 0.00 C ATOM 693 C GLY A 47 3.271 14.690 2.436 1.00 0.00 C ATOM 694 O GLY A 47 4.336 14.872 1.844 1.00 0.00 O ATOM 0 H GLY A 47 2.515 16.398 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.479 15.744 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.350 14.762 1.496 1.00 0.00 H new ATOM 698 N PRO A 48 3.160 13.830 3.459 1.00 0.00 N ATOM 699 CA PRO A 48 4.290 13.039 3.955 1.00 0.00 C ATOM 700 C PRO A 48 4.721 11.960 2.967 1.00 0.00 C ATOM 701 O PRO A 48 5.865 11.507 2.987 1.00 0.00 O ATOM 702 CB PRO A 48 3.744 12.403 5.235 1.00 0.00 C ATOM 703 CG PRO A 48 2.269 12.353 5.034 1.00 0.00 C ATOM 704 CD PRO A 48 1.922 13.563 4.210 1.00 0.00 C ATOM 0 HA PRO A 48 5.178 13.652 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.157 11.406 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.004 12.994 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.976 11.436 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.744 12.368 5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.082 13.368 3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.642 14.409 4.837 1.00 0.00 H new ATOM 712 N ALA A 49 3.797 11.554 2.102 1.00 0.00 N ATOM 713 CA ALA A 49 4.083 10.530 1.104 1.00 0.00 C ATOM 714 C ALA A 49 5.057 11.047 0.051 1.00 0.00 C ATOM 715 O ALA A 49 6.155 10.512 -0.107 1.00 0.00 O ATOM 716 CB ALA A 49 2.793 10.059 0.448 1.00 0.00 C ATOM 0 H ALA A 49 2.845 11.918 2.072 1.00 0.00 H new ATOM 0 HA ALA A 49 4.551 9.685 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.021 9.295 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.130 9.642 1.206 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.303 10.903 -0.038 1.00 0.00 H new ATOM 722 N ILE A 50 4.648 12.087 -0.667 1.00 0.00 N ATOM 723 CA ILE A 50 5.485 12.675 -1.705 1.00 0.00 C ATOM 724 C ILE A 50 6.875 13.003 -1.170 1.00 0.00 C ATOM 725 O ILE A 50 7.818 13.194 -1.938 1.00 0.00 O ATOM 726 CB ILE A 50 4.853 13.956 -2.280 1.00 0.00 C ATOM 727 CG1 ILE A 50 5.350 14.201 -3.706 1.00 0.00 C ATOM 728 CG2 ILE A 50 5.171 15.149 -1.391 1.00 0.00 C ATOM 729 CD1 ILE A 50 4.568 15.264 -4.445 1.00 0.00 C ATOM 0 H ILE A 50 3.742 12.540 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 50 5.570 11.934 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 50 3.771 13.827 -2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.400 14.492 -3.671 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.297 13.267 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.717 16.047 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.773 14.974 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.251 15.282 -1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.976 15.384 -5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.522 14.966 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.642 16.210 -3.908 1.00 0.00 H new ATOM 741 N ARG A 51 6.994 13.067 0.152 1.00 0.00 N ATOM 742 CA ARG A 51 8.268 13.371 0.791 1.00 0.00 C ATOM 743 C ARG A 51 9.085 12.101 1.009 1.00 0.00 C ATOM 744 O ARG A 51 10.314 12.136 1.019 1.00 0.00 O ATOM 745 CB ARG A 51 8.037 14.077 2.128 1.00 0.00 C ATOM 746 CG ARG A 51 7.416 15.457 1.989 1.00 0.00 C ATOM 747 CD ARG A 51 7.072 16.053 3.346 1.00 0.00 C ATOM 748 NE ARG A 51 8.267 16.389 4.115 1.00 0.00 N ATOM 749 CZ ARG A 51 8.247 17.130 5.217 1.00 0.00 C ATOM 750 NH1 ARG A 51 7.100 17.609 5.677 1.00 0.00 N ATOM 751 NH2 ARG A 51 9.377 17.393 5.862 1.00 0.00 N ATOM 0 H ARG A 51 6.223 12.912 0.802 1.00 0.00 H new ATOM 0 HA ARG A 51 8.828 14.033 0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.390 13.458 2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.989 14.167 2.651 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.107 16.117 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.514 15.392 1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.467 16.949 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.465 15.344 3.910 1.00 0.00 H new ATOM 0 HE ARG A 51 9.166 16.035 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.230 17.409 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.088 18.178 6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.262 17.026 5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.361 17.962 6.708 1.00 0.00 H new ATOM 765 N ASN A 52 8.391 10.980 1.183 1.00 0.00 N ATOM 766 CA ASN A 52 9.052 9.699 1.402 1.00 0.00 C ATOM 767 C ASN A 52 9.918 9.321 0.203 1.00 0.00 C ATOM 768 O ASN A 52 11.131 9.158 0.327 1.00 0.00 O ATOM 769 CB ASN A 52 8.015 8.604 1.661 1.00 0.00 C ATOM 770 CG ASN A 52 7.953 7.588 0.536 1.00 0.00 C ATOM 771 OD1 ASN A 52 8.641 6.568 0.568 1.00 0.00 O ATOM 772 ND2 ASN A 52 7.126 7.864 -0.465 1.00 0.00 N ATOM 0 H ASN A 52 7.372 10.933 1.176 1.00 0.00 H new ATOM 0 HA ASN A 52 9.695 9.796 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.254 8.094 2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.033 9.060 1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.042 7.218 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.575 8.722 -0.449 1.00 0.00 H new ATOM 779 N GLY A 53 9.284 9.185 -0.958 1.00 0.00 N ATOM 780 CA GLY A 53 10.012 8.829 -2.162 1.00 0.00 C ATOM 781 C GLY A 53 9.716 7.415 -2.621 1.00 0.00 C ATOM 782 O GLY A 53 9.407 7.186 -3.790 1.00 0.00 O ATOM 0 H GLY A 53 8.280 9.315 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.755 9.528 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.082 8.932 -1.980 1.00 0.00 H new ATOM 786 N ARG A 54 9.812 6.463 -1.698 1.00 0.00 N ATOM 787 CA ARG A 54 9.555 5.063 -2.015 1.00 0.00 C ATOM 788 C ARG A 54 8.498 4.938 -3.108 1.00 0.00 C ATOM 789 O ARG A 54 8.799 4.547 -4.235 1.00 0.00 O ATOM 790 CB ARG A 54 9.101 4.309 -0.764 1.00 0.00 C ATOM 791 CG ARG A 54 10.096 4.380 0.384 1.00 0.00 C ATOM 792 CD ARG A 54 11.250 3.411 0.181 1.00 0.00 C ATOM 793 NE ARG A 54 12.226 3.489 1.264 1.00 0.00 N ATOM 794 CZ ARG A 54 12.043 2.941 2.460 1.00 0.00 C ATOM 795 NH1 ARG A 54 10.925 2.278 2.725 1.00 0.00 N ATOM 796 NH2 ARG A 54 12.978 3.055 3.395 1.00 0.00 N ATOM 0 H ARG A 54 10.066 6.636 -0.725 1.00 0.00 H new ATOM 0 HA ARG A 54 10.484 4.623 -2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.146 4.715 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.930 3.264 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.483 5.395 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.589 4.152 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.862 2.394 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.742 3.627 -0.767 1.00 0.00 H new ATOM 0 HE ARG A 54 13.097 3.992 1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.204 2.188 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.787 1.858 3.644 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.839 3.564 3.196 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.835 2.633 4.313 1.00 0.00 H new ATOM 810 N MET A 55 7.258 5.273 -2.766 1.00 0.00 N ATOM 811 CA MET A 55 6.156 5.199 -3.719 1.00 0.00 C ATOM 812 C MET A 55 6.041 6.493 -4.518 1.00 0.00 C ATOM 813 O MET A 55 6.740 7.468 -4.243 1.00 0.00 O ATOM 814 CB MET A 55 4.841 4.917 -2.990 1.00 0.00 C ATOM 815 CG MET A 55 4.247 6.141 -2.313 1.00 0.00 C ATOM 816 SD MET A 55 3.292 7.167 -3.447 1.00 0.00 S ATOM 817 CE MET A 55 1.631 6.896 -2.832 1.00 0.00 C ATOM 0 H MET A 55 6.991 5.598 -1.837 1.00 0.00 H new ATOM 0 HA MET A 55 6.361 4.382 -4.411 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.118 4.519 -3.702 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.009 4.143 -2.241 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.606 5.822 -1.491 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.050 6.737 -1.879 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.925 7.480 -3.422 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.382 5.838 -2.911 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.575 7.205 -1.788 1.00 0.00 H new ATOM 827 N ARG A 56 5.154 6.495 -5.508 1.00 0.00 N ATOM 828 CA ARG A 56 4.948 7.669 -6.347 1.00 0.00 C ATOM 829 C ARG A 56 3.804 7.441 -7.330 1.00 0.00 C ATOM 830 O ARG A 56 3.137 6.407 -7.294 1.00 0.00 O ATOM 831 CB ARG A 56 6.230 8.008 -7.110 1.00 0.00 C ATOM 832 CG ARG A 56 7.030 9.139 -6.485 1.00 0.00 C ATOM 833 CD ARG A 56 8.522 8.842 -6.504 1.00 0.00 C ATOM 834 NE ARG A 56 9.168 9.359 -7.707 1.00 0.00 N ATOM 835 CZ ARG A 56 9.496 10.635 -7.875 1.00 0.00 C ATOM 836 NH1 ARG A 56 9.241 11.520 -6.920 1.00 0.00 N ATOM 837 NH2 ARG A 56 10.081 11.029 -8.999 1.00 0.00 N ATOM 0 H ARG A 56 4.567 5.696 -5.748 1.00 0.00 H new ATOM 0 HA ARG A 56 4.686 8.506 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.857 7.118 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.972 8.279 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.835 10.066 -7.025 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.702 9.294 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.990 9.282 -5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 56 8.678 7.765 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 56 9.379 8.704 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.792 11.221 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.494 12.499 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.279 10.352 -9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.332 12.009 -9.127 1.00 0.00 H new ATOM 851 N VAL A 57 3.581 8.415 -8.208 1.00 0.00 N ATOM 852 CA VAL A 57 2.518 8.320 -9.201 1.00 0.00 C ATOM 853 C VAL A 57 2.959 7.490 -10.401 1.00 0.00 C ATOM 854 O VAL A 57 4.009 7.743 -10.992 1.00 0.00 O ATOM 855 CB VAL A 57 2.079 9.714 -9.688 1.00 0.00 C ATOM 856 CG1 VAL A 57 0.873 9.603 -10.607 1.00 0.00 C ATOM 857 CG2 VAL A 57 1.776 10.620 -8.504 1.00 0.00 C ATOM 0 H VAL A 57 4.123 9.278 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 57 1.674 7.830 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 57 2.898 10.157 -10.255 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.577 10.598 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.130 8.991 -11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.046 9.141 -10.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.467 11.601 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.974 10.184 -7.908 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.669 10.725 -7.888 1.00 0.00 H new ATOM 867 N GLY A 58 2.149 6.498 -10.758 1.00 0.00 N ATOM 868 CA GLY A 58 2.473 5.646 -11.887 1.00 0.00 C ATOM 869 C GLY A 58 2.838 4.237 -11.464 1.00 0.00 C ATOM 870 O GLY A 58 2.972 3.345 -12.302 1.00 0.00 O ATOM 0 H GLY A 58 1.274 6.269 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.621 5.609 -12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.304 6.083 -12.441 1.00 0.00 H new ATOM 874 N ASP A 59 3.003 4.036 -10.161 1.00 0.00 N ATOM 875 CA ASP A 59 3.356 2.725 -9.628 1.00 0.00 C ATOM 876 C ASP A 59 2.114 1.856 -9.457 1.00 0.00 C ATOM 877 O ASP A 59 0.987 2.338 -9.570 1.00 0.00 O ATOM 878 CB ASP A 59 4.079 2.874 -8.289 1.00 0.00 C ATOM 879 CG ASP A 59 5.396 3.612 -8.420 1.00 0.00 C ATOM 880 OD1 ASP A 59 6.288 3.110 -9.136 1.00 0.00 O ATOM 881 OD2 ASP A 59 5.536 4.691 -7.807 1.00 0.00 O ATOM 0 H ASP A 59 2.898 4.764 -9.454 1.00 0.00 H new ATOM 0 HA ASP A 59 4.023 2.237 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.435 3.407 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.260 1.886 -7.866 1.00 0.00 H new ATOM 886 N GLN A 60 2.329 0.573 -9.185 1.00 0.00 N ATOM 887 CA GLN A 60 1.227 -0.364 -9.000 1.00 0.00 C ATOM 888 C GLN A 60 1.316 -1.047 -7.639 1.00 0.00 C ATOM 889 O GLN A 60 2.247 -1.809 -7.377 1.00 0.00 O ATOM 890 CB GLN A 60 1.230 -1.413 -10.112 1.00 0.00 C ATOM 891 CG GLN A 60 -0.053 -2.226 -10.186 1.00 0.00 C ATOM 892 CD GLN A 60 0.005 -3.485 -9.344 1.00 0.00 C ATOM 893 OE1 GLN A 60 0.785 -4.396 -9.622 1.00 0.00 O ATOM 894 NE2 GLN A 60 -0.824 -3.544 -8.308 1.00 0.00 N ATOM 0 H GLN A 60 3.256 0.159 -9.088 1.00 0.00 H new ATOM 0 HA GLN A 60 0.294 0.198 -9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.391 -0.916 -11.069 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.071 -2.090 -9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.889 -1.610 -9.854 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.248 -2.496 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.454 -2.766 -8.114 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.831 -4.368 -7.706 1.00 0.00 H new ATOM 903 N ILE A 61 0.343 -0.770 -6.779 1.00 0.00 N ATOM 904 CA ILE A 61 0.311 -1.358 -5.446 1.00 0.00 C ATOM 905 C ILE A 61 -0.252 -2.775 -5.484 1.00 0.00 C ATOM 906 O ILE A 61 -1.354 -3.003 -5.983 1.00 0.00 O ATOM 907 CB ILE A 61 -0.531 -0.510 -4.475 1.00 0.00 C ATOM 908 CG1 ILE A 61 -0.190 0.974 -4.633 1.00 0.00 C ATOM 909 CG2 ILE A 61 -0.300 -0.961 -3.040 1.00 0.00 C ATOM 910 CD1 ILE A 61 -1.343 1.896 -4.304 1.00 0.00 C ATOM 0 H ILE A 61 -0.434 -0.142 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 61 1.341 -1.387 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.585 -0.650 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.654 1.216 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.131 1.158 -5.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.902 -0.352 -2.366 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.586 -2.008 -2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.754 -0.847 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.030 2.932 -4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.181 1.682 -4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.650 1.740 -3.270 1.00 0.00 H new ATOM 922 N ILE A 62 0.512 -3.724 -4.952 1.00 0.00 N ATOM 923 CA ILE A 62 0.088 -5.118 -4.922 1.00 0.00 C ATOM 924 C ILE A 62 -0.385 -5.519 -3.529 1.00 0.00 C ATOM 925 O ILE A 62 -1.245 -6.387 -3.382 1.00 0.00 O ATOM 926 CB ILE A 62 1.225 -6.061 -5.357 1.00 0.00 C ATOM 927 CG1 ILE A 62 2.585 -5.444 -5.026 1.00 0.00 C ATOM 928 CG2 ILE A 62 1.123 -6.363 -6.845 1.00 0.00 C ATOM 929 CD1 ILE A 62 3.054 -4.431 -6.046 1.00 0.00 C ATOM 0 H ILE A 62 1.427 -3.552 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.740 -5.211 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 62 1.129 -6.998 -4.808 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.529 -4.964 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.326 -6.239 -4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.934 -7.031 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.166 -6.841 -7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.196 -5.434 -7.411 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.024 -4.035 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.143 -4.911 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.333 -3.616 -6.107 1.00 0.00 H new ATOM 941 N GLU A 63 0.181 -4.880 -2.511 1.00 0.00 N ATOM 942 CA GLU A 63 -0.185 -5.170 -1.129 1.00 0.00 C ATOM 943 C GLU A 63 -0.360 -3.882 -0.331 1.00 0.00 C ATOM 944 O GLU A 63 0.274 -2.867 -0.622 1.00 0.00 O ATOM 945 CB GLU A 63 0.880 -6.050 -0.471 1.00 0.00 C ATOM 946 CG GLU A 63 0.535 -6.462 0.951 1.00 0.00 C ATOM 947 CD GLU A 63 1.764 -6.786 1.778 1.00 0.00 C ATOM 948 OE1 GLU A 63 2.311 -5.862 2.416 1.00 0.00 O ATOM 949 OE2 GLU A 63 2.178 -7.964 1.788 1.00 0.00 O ATOM 0 H GLU A 63 0.894 -4.159 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.135 -5.704 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.023 -6.946 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.829 -5.514 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.022 -5.658 1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.120 -7.332 0.924 1.00 0.00 H new ATOM 956 N ILE A 64 -1.226 -3.930 0.677 1.00 0.00 N ATOM 957 CA ILE A 64 -1.484 -2.768 1.517 1.00 0.00 C ATOM 958 C ILE A 64 -1.556 -3.159 2.989 1.00 0.00 C ATOM 959 O ILE A 64 -2.345 -4.020 3.375 1.00 0.00 O ATOM 960 CB ILE A 64 -2.797 -2.067 1.120 1.00 0.00 C ATOM 961 CG1 ILE A 64 -2.681 -1.481 -0.289 1.00 0.00 C ATOM 962 CG2 ILE A 64 -3.141 -0.978 2.125 1.00 0.00 C ATOM 963 CD1 ILE A 64 -4.002 -1.015 -0.860 1.00 0.00 C ATOM 0 H ILE A 64 -1.760 -4.761 0.931 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.653 -2.079 1.366 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.600 -2.804 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.987 -0.641 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.253 -2.232 -0.952 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.071 -0.492 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.260 -1.420 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.339 -0.240 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.844 -0.612 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.693 -1.857 -0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.423 -0.240 -0.219 1.00 0.00 H new ATOM 975 N ASN A 65 -0.727 -2.519 3.807 1.00 0.00 N ATOM 976 CA ASN A 65 -0.697 -2.799 5.238 1.00 0.00 C ATOM 977 C ASN A 65 -0.583 -4.299 5.497 1.00 0.00 C ATOM 978 O ASN A 65 -1.308 -4.854 6.320 1.00 0.00 O ATOM 979 CB ASN A 65 -1.954 -2.248 5.913 1.00 0.00 C ATOM 980 CG ASN A 65 -1.785 -0.810 6.364 1.00 0.00 C ATOM 981 OD1 ASN A 65 -0.670 -0.293 6.421 1.00 0.00 O ATOM 982 ND2 ASN A 65 -2.896 -0.157 6.687 1.00 0.00 N ATOM 0 H ASN A 65 -0.067 -1.803 3.504 1.00 0.00 H new ATOM 0 HA ASN A 65 0.179 -2.308 5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.793 -2.312 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.203 -2.869 6.774 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.845 0.813 6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.800 -0.626 6.625 1.00 0.00 H new ATOM 1072 N MET A 72 -9.946 -7.074 -3.837 1.00 0.00 N ATOM 1073 CA MET A 72 -10.311 -5.904 -3.047 1.00 0.00 C ATOM 1074 C MET A 72 -10.811 -4.776 -3.944 1.00 0.00 C ATOM 1075 O MET A 72 -10.362 -4.627 -5.081 1.00 0.00 O ATOM 1076 CB MET A 72 -9.114 -5.424 -2.224 1.00 0.00 C ATOM 1077 CG MET A 72 -8.377 -6.547 -1.511 1.00 0.00 C ATOM 1078 SD MET A 72 -7.576 -5.997 0.008 1.00 0.00 S ATOM 1079 CE MET A 72 -6.937 -4.404 -0.504 1.00 0.00 C ATOM 0 HA MET A 72 -11.116 -6.191 -2.371 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.417 -4.903 -2.881 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.458 -4.700 -1.485 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.080 -7.347 -1.278 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.627 -6.967 -2.181 1.00 0.00 H new ATOM 0 HE1 MET A 72 -6.018 -4.188 0.042 1.00 0.00 H new ATOM 0 HE2 MET A 72 -6.728 -4.423 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.675 -3.631 -0.292 1.00 0.00 H new ATOM 1089 N THR A 73 -11.743 -3.983 -3.426 1.00 0.00 N ATOM 1090 CA THR A 73 -12.305 -2.869 -4.180 1.00 0.00 C ATOM 1091 C THR A 73 -11.671 -1.547 -3.764 1.00 0.00 C ATOM 1092 O THR A 73 -11.355 -1.340 -2.592 1.00 0.00 O ATOM 1093 CB THR A 73 -13.831 -2.776 -3.992 1.00 0.00 C ATOM 1094 OG1 THR A 73 -14.148 -2.691 -2.598 1.00 0.00 O ATOM 1095 CG2 THR A 73 -14.527 -3.982 -4.602 1.00 0.00 C ATOM 0 H THR A 73 -12.125 -4.091 -2.487 1.00 0.00 H new ATOM 0 HA THR A 73 -12.087 -3.058 -5.231 1.00 0.00 H new ATOM 0 HB THR A 73 -14.183 -1.878 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 73 -15.120 -2.630 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 73 -15.604 -3.893 -4.456 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.308 -4.028 -5.669 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.169 -4.891 -4.119 1.00 0.00 H new ATOM 1103 N HIS A 74 -11.486 -0.654 -4.731 1.00 0.00 N ATOM 1104 CA HIS A 74 -10.890 0.650 -4.464 1.00 0.00 C ATOM 1105 C HIS A 74 -11.294 1.159 -3.083 1.00 0.00 C ATOM 1106 O HIS A 74 -10.489 1.761 -2.373 1.00 0.00 O ATOM 1107 CB HIS A 74 -11.312 1.656 -5.535 1.00 0.00 C ATOM 1108 CG HIS A 74 -10.473 2.897 -5.555 1.00 0.00 C ATOM 1109 ND1 HIS A 74 -10.800 4.014 -6.294 1.00 0.00 N ATOM 1110 CD2 HIS A 74 -9.315 3.192 -4.920 1.00 0.00 C ATOM 1111 CE1 HIS A 74 -9.878 4.943 -6.114 1.00 0.00 C ATOM 1112 NE2 HIS A 74 -8.965 4.470 -5.284 1.00 0.00 N ATOM 0 H HIS A 74 -11.740 -0.810 -5.706 1.00 0.00 H new ATOM 0 HA HIS A 74 -9.806 0.539 -4.488 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -11.260 1.177 -6.513 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -12.353 1.934 -5.371 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -8.768 2.544 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.872 5.923 -6.568 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.136 4.972 -4.966 1.00 0.00 H new ATOM 1121 N ALA A 75 -12.546 0.914 -2.710 1.00 0.00 N ATOM 1122 CA ALA A 75 -13.055 1.346 -1.415 1.00 0.00 C ATOM 1123 C ALA A 75 -12.253 0.728 -0.275 1.00 0.00 C ATOM 1124 O ALA A 75 -11.821 1.426 0.643 1.00 0.00 O ATOM 1125 CB ALA A 75 -14.528 0.989 -1.281 1.00 0.00 C ATOM 0 H ALA A 75 -13.226 0.419 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.948 2.429 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -14.895 1.318 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.095 1.484 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.650 -0.091 -1.369 1.00 0.00 H new ATOM 1131 N ARG A 76 -12.057 -0.585 -0.339 1.00 0.00 N ATOM 1132 CA ARG A 76 -11.308 -1.297 0.689 1.00 0.00 C ATOM 1133 C ARG A 76 -9.922 -0.686 0.874 1.00 0.00 C ATOM 1134 O ARG A 76 -9.593 -0.183 1.947 1.00 0.00 O ATOM 1135 CB ARG A 76 -11.180 -2.777 0.323 1.00 0.00 C ATOM 1136 CG ARG A 76 -10.145 -3.521 1.152 1.00 0.00 C ATOM 1137 CD ARG A 76 -10.458 -3.439 2.638 1.00 0.00 C ATOM 1138 NE ARG A 76 -9.960 -4.603 3.367 1.00 0.00 N ATOM 1139 CZ ARG A 76 -10.426 -4.983 4.551 1.00 0.00 C ATOM 1140 NH1 ARG A 76 -11.397 -4.295 5.137 1.00 0.00 N ATOM 1141 NH2 ARG A 76 -9.922 -6.053 5.152 1.00 0.00 N ATOM 0 H ARG A 76 -12.407 -1.177 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.854 -1.207 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.149 -3.259 0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.917 -2.861 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.112 -4.566 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.157 -3.102 0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.014 -2.534 3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.536 -3.358 2.778 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.213 -5.154 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.787 -3.472 4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.753 -4.589 6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.176 -6.585 4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.281 -6.344 6.061 1.00 0.00 H new ATOM 1155 N ALA A 77 -9.115 -0.733 -0.181 1.00 0.00 N ATOM 1156 CA ALA A 77 -7.766 -0.183 -0.136 1.00 0.00 C ATOM 1157 C ALA A 77 -7.758 1.198 0.511 1.00 0.00 C ATOM 1158 O ALA A 77 -6.785 1.584 1.160 1.00 0.00 O ATOM 1159 CB ALA A 77 -7.176 -0.116 -1.536 1.00 0.00 C ATOM 0 H ALA A 77 -9.372 -1.146 -1.077 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.151 -0.845 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.168 0.297 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.137 -1.118 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.799 0.522 -2.163 1.00 0.00 H new ATOM 1165 N ILE A 78 -8.846 1.939 0.327 1.00 0.00 N ATOM 1166 CA ILE A 78 -8.963 3.277 0.893 1.00 0.00 C ATOM 1167 C ILE A 78 -9.171 3.219 2.403 1.00 0.00 C ATOM 1168 O ILE A 78 -8.729 4.105 3.134 1.00 0.00 O ATOM 1169 CB ILE A 78 -10.128 4.058 0.256 1.00 0.00 C ATOM 1170 CG1 ILE A 78 -9.832 4.345 -1.218 1.00 0.00 C ATOM 1171 CG2 ILE A 78 -10.375 5.353 1.014 1.00 0.00 C ATOM 1172 CD1 ILE A 78 -8.949 5.554 -1.432 1.00 0.00 C ATOM 0 H ILE A 78 -9.659 1.635 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.028 3.794 0.677 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.030 3.449 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.353 3.472 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.773 4.494 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.201 5.893 0.552 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.625 5.126 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.476 5.969 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.781 5.697 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.436 6.438 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.993 5.399 -0.932 1.00 0.00 H new ATOM 1184 N GLU A 79 -9.844 2.169 2.862 1.00 0.00 N ATOM 1185 CA GLU A 79 -10.109 1.996 4.286 1.00 0.00 C ATOM 1186 C GLU A 79 -8.910 1.366 4.989 1.00 0.00 C ATOM 1187 O GLU A 79 -8.731 1.525 6.198 1.00 0.00 O ATOM 1188 CB GLU A 79 -11.350 1.126 4.494 1.00 0.00 C ATOM 1189 CG GLU A 79 -11.035 -0.345 4.707 1.00 0.00 C ATOM 1190 CD GLU A 79 -12.277 -1.178 4.953 1.00 0.00 C ATOM 1191 OE1 GLU A 79 -13.146 -1.226 4.057 1.00 0.00 O ATOM 1192 OE2 GLU A 79 -12.381 -1.783 6.040 1.00 0.00 O ATOM 0 H GLU A 79 -10.215 1.426 2.270 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.287 2.980 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.904 1.498 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.003 1.227 3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.511 -0.731 3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.359 -0.449 5.556 1.00 0.00 H new ATOM 1199 N LEU A 80 -8.092 0.650 4.226 1.00 0.00 N ATOM 1200 CA LEU A 80 -6.910 -0.005 4.774 1.00 0.00 C ATOM 1201 C LEU A 80 -5.849 1.021 5.160 1.00 0.00 C ATOM 1202 O LEU A 80 -5.201 0.898 6.200 1.00 0.00 O ATOM 1203 CB LEU A 80 -6.334 -0.994 3.760 1.00 0.00 C ATOM 1204 CG LEU A 80 -7.172 -2.244 3.492 1.00 0.00 C ATOM 1205 CD1 LEU A 80 -6.436 -3.190 2.556 1.00 0.00 C ATOM 1206 CD2 LEU A 80 -7.518 -2.945 4.797 1.00 0.00 C ATOM 0 H LEU A 80 -8.226 0.508 3.225 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.209 -0.547 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.186 -0.471 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.350 -1.308 4.108 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.101 -1.938 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.048 -4.074 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.240 -2.686 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.491 -3.489 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.115 -3.832 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.600 -3.238 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.087 -2.268 5.434 1.00 0.00 H new ATOM 1218 N ILE A 81 -5.678 2.034 4.317 1.00 0.00 N ATOM 1219 CA ILE A 81 -4.698 3.082 4.571 1.00 0.00 C ATOM 1220 C ILE A 81 -5.015 3.829 5.863 1.00 0.00 C ATOM 1221 O ILE A 81 -4.116 4.322 6.545 1.00 0.00 O ATOM 1222 CB ILE A 81 -4.639 4.092 3.410 1.00 0.00 C ATOM 1223 CG1 ILE A 81 -4.449 3.361 2.079 1.00 0.00 C ATOM 1224 CG2 ILE A 81 -3.517 5.094 3.635 1.00 0.00 C ATOM 1225 CD1 ILE A 81 -4.932 4.150 0.882 1.00 0.00 C ATOM 0 H ILE A 81 -6.206 2.151 3.452 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.729 2.592 4.665 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.583 4.636 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.392 3.129 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.981 2.411 2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.489 5.801 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.692 5.633 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.565 4.567 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.766 3.571 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.996 4.359 0.990 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.382 5.089 0.819 1.00 0.00 H new ATOM 1237 N LYS A 82 -6.299 3.906 6.196 1.00 0.00 N ATOM 1238 CA LYS A 82 -6.736 4.589 7.407 1.00 0.00 C ATOM 1239 C LYS A 82 -6.955 3.595 8.543 1.00 0.00 C ATOM 1240 O LYS A 82 -7.027 3.978 9.711 1.00 0.00 O ATOM 1241 CB LYS A 82 -8.026 5.368 7.141 1.00 0.00 C ATOM 1242 CG LYS A 82 -9.009 4.631 6.247 1.00 0.00 C ATOM 1243 CD LYS A 82 -10.294 5.420 6.063 1.00 0.00 C ATOM 1244 CE LYS A 82 -10.044 6.731 5.334 1.00 0.00 C ATOM 1245 NZ LYS A 82 -11.309 7.337 4.833 1.00 0.00 N ATOM 0 H LYS A 82 -7.056 3.503 5.643 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.953 5.286 7.704 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -8.509 5.590 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.775 6.324 6.680 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.551 4.447 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.238 3.657 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.012 4.822 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -10.740 5.623 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.547 7.431 6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.368 6.558 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.096 8.229 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.771 6.680 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.945 7.526 5.634 1.00 0.00 H new ATOM 1259 N SER A 83 -7.060 2.317 8.193 1.00 0.00 N ATOM 1260 CA SER A 83 -7.273 1.268 9.183 1.00 0.00 C ATOM 1261 C SER A 83 -5.984 0.967 9.942 1.00 0.00 C ATOM 1262 O SER A 83 -6.014 0.570 11.106 1.00 0.00 O ATOM 1263 CB SER A 83 -7.789 -0.004 8.507 1.00 0.00 C ATOM 1264 OG SER A 83 -7.874 -1.074 9.432 1.00 0.00 O ATOM 0 H SER A 83 -7.001 1.983 7.231 1.00 0.00 H new ATOM 0 HA SER A 83 -8.019 1.621 9.895 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.771 0.184 8.072 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.125 -0.279 7.688 1.00 0.00 H new ATOM 0 HG SER A 83 -8.208 -1.875 8.976 1.00 0.00 H new ATOM 1270 N GLY A 84 -4.852 1.160 9.273 1.00 0.00 N ATOM 1271 CA GLY A 84 -3.567 0.904 9.898 1.00 0.00 C ATOM 1272 C GLY A 84 -3.232 1.922 10.970 1.00 0.00 C ATOM 1273 O GLY A 84 -2.778 1.564 12.056 1.00 0.00 O ATOM 0 H GLY A 84 -4.801 1.489 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -3.572 -0.094 10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -2.787 0.913 9.136 1.00 0.00 H new ATOM 1277 N GLY A 85 -3.455 3.197 10.664 1.00 0.00 N ATOM 1278 CA GLY A 85 -3.166 4.250 11.620 1.00 0.00 C ATOM 1279 C GLY A 85 -2.411 5.408 10.996 1.00 0.00 C ATOM 1280 O GLY A 85 -2.570 5.693 9.809 1.00 0.00 O ATOM 0 H GLY A 85 -3.830 3.519 9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.100 4.616 12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.580 3.839 12.442 1.00 0.00 H new ATOM 1284 N ARG A 86 -1.589 6.077 11.798 1.00 0.00 N ATOM 1285 CA ARG A 86 -0.810 7.211 11.318 1.00 0.00 C ATOM 1286 C ARG A 86 0.272 6.755 10.344 1.00 0.00 C ATOM 1287 O ARG A 86 0.680 7.506 9.458 1.00 0.00 O ATOM 1288 CB ARG A 86 -0.172 7.953 12.494 1.00 0.00 C ATOM 1289 CG ARG A 86 -0.993 9.132 12.989 1.00 0.00 C ATOM 1290 CD ARG A 86 -0.593 9.538 14.399 1.00 0.00 C ATOM 1291 NE ARG A 86 -1.369 8.831 15.413 1.00 0.00 N ATOM 1292 CZ ARG A 86 -2.637 9.110 15.695 1.00 0.00 C ATOM 1293 NH1 ARG A 86 -3.268 10.076 15.042 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -3.277 8.422 16.632 1.00 0.00 N ATOM 0 H ARG A 86 -1.446 5.853 12.783 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.485 7.887 10.793 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.024 7.253 13.317 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.815 8.308 12.196 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.860 9.978 12.314 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.052 8.873 12.971 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.468 9.335 14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.732 10.612 14.520 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.913 8.082 15.934 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.780 10.607 14.321 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.241 10.288 15.261 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.795 7.678 17.137 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.250 8.637 16.847 1.00 0.00 H new ATOM 1308 N ARG A 87 0.732 5.520 10.514 1.00 0.00 N ATOM 1309 CA ARG A 87 1.767 4.964 9.651 1.00 0.00 C ATOM 1310 C ARG A 87 1.195 3.878 8.745 1.00 0.00 C ATOM 1311 O ARG A 87 0.571 2.927 9.216 1.00 0.00 O ATOM 1312 CB ARG A 87 2.909 4.391 10.493 1.00 0.00 C ATOM 1313 CG ARG A 87 3.438 5.357 11.541 1.00 0.00 C ATOM 1314 CD ARG A 87 4.301 4.644 12.570 1.00 0.00 C ATOM 1315 NE ARG A 87 4.919 5.579 13.507 1.00 0.00 N ATOM 1316 CZ ARG A 87 5.919 5.252 14.318 1.00 0.00 C ATOM 1317 NH1 ARG A 87 6.411 4.021 14.307 1.00 0.00 N ATOM 1318 NH2 ARG A 87 6.429 6.158 15.142 1.00 0.00 N ATOM 0 H ARG A 87 0.404 4.885 11.242 1.00 0.00 H new ATOM 0 HA ARG A 87 2.153 5.768 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.564 3.484 10.989 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.726 4.102 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.021 6.139 11.055 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.602 5.846 12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.691 3.928 13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.078 4.075 12.060 1.00 0.00 H new ATOM 0 HE ARG A 87 4.563 6.534 13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.022 3.322 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.179 3.773 14.931 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.053 7.106 15.153 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.197 5.906 15.765 1.00 0.00 H new ATOM 1332 N VAL A 88 1.410 4.028 7.442 1.00 0.00 N ATOM 1333 CA VAL A 88 0.917 3.060 6.469 1.00 0.00 C ATOM 1334 C VAL A 88 2.063 2.446 5.675 1.00 0.00 C ATOM 1335 O VAL A 88 2.979 3.146 5.244 1.00 0.00 O ATOM 1336 CB VAL A 88 -0.082 3.707 5.492 1.00 0.00 C ATOM 1337 CG1 VAL A 88 0.555 4.892 4.783 1.00 0.00 C ATOM 1338 CG2 VAL A 88 -0.584 2.681 4.487 1.00 0.00 C ATOM 0 H VAL A 88 1.922 4.811 7.036 1.00 0.00 H new ATOM 0 HA VAL A 88 0.409 2.276 7.031 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.936 4.072 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.166 5.336 4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.861 5.635 5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.428 4.555 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.289 3.155 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.258 2.284 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.082 1.868 5.015 1.00 0.00 H new ATOM 1348 N ARG A 89 2.006 1.132 5.484 1.00 0.00 N ATOM 1349 CA ARG A 89 3.040 0.422 4.741 1.00 0.00 C ATOM 1350 C ARG A 89 2.423 -0.484 3.680 1.00 0.00 C ATOM 1351 O ARG A 89 1.756 -1.469 4.000 1.00 0.00 O ATOM 1352 CB ARG A 89 3.905 -0.406 5.693 1.00 0.00 C ATOM 1353 CG ARG A 89 4.796 -1.414 4.987 1.00 0.00 C ATOM 1354 CD ARG A 89 5.290 -2.488 5.943 1.00 0.00 C ATOM 1355 NE ARG A 89 6.183 -3.438 5.285 1.00 0.00 N ATOM 1356 CZ ARG A 89 6.587 -4.574 5.842 1.00 0.00 C ATOM 1357 NH1 ARG A 89 6.178 -4.901 7.060 1.00 0.00 N ATOM 1358 NH2 ARG A 89 7.400 -5.387 5.180 1.00 0.00 N ATOM 0 H ARG A 89 1.255 0.538 5.834 1.00 0.00 H new ATOM 0 HA ARG A 89 3.666 1.162 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.528 0.267 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.257 -0.934 6.392 1.00 0.00 H new ATOM 0 HG2 ARG A 89 4.244 -1.879 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.649 -0.900 4.544 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.811 -2.019 6.777 1.00 0.00 H new ATOM 0 HD3 ARG A 89 4.436 -3.022 6.360 1.00 0.00 H new ATOM 0 HE ARG A 89 6.515 -3.217 4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.552 -4.280 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.490 -5.774 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.716 -5.140 4.242 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.709 -6.259 5.609 1.00 0.00 H new ATOM 1372 N LEU A 90 2.648 -0.145 2.415 1.00 0.00 N ATOM 1373 CA LEU A 90 2.114 -0.927 1.306 1.00 0.00 C ATOM 1374 C LEU A 90 3.233 -1.392 0.379 1.00 0.00 C ATOM 1375 O LEU A 90 4.249 -0.714 0.226 1.00 0.00 O ATOM 1376 CB LEU A 90 1.094 -0.102 0.519 1.00 0.00 C ATOM 1377 CG LEU A 90 1.298 1.414 0.540 1.00 0.00 C ATOM 1378 CD1 LEU A 90 0.836 2.032 -0.771 1.00 0.00 C ATOM 1379 CD2 LEU A 90 0.557 2.035 1.715 1.00 0.00 C ATOM 0 H LEU A 90 3.197 0.667 2.132 1.00 0.00 H new ATOM 0 HA LEU A 90 1.620 -1.807 1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.109 -0.436 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.100 -0.320 0.910 1.00 0.00 H new ATOM 0 HG LEU A 90 2.362 1.617 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.988 3.111 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.411 1.609 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.223 1.820 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.713 3.114 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.508 1.822 1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.935 1.614 2.647 1.00 0.00 H new ATOM 1391 N LEU A 91 3.038 -2.552 -0.239 1.00 0.00 N ATOM 1392 CA LEU A 91 4.029 -3.108 -1.153 1.00 0.00 C ATOM 1393 C LEU A 91 3.836 -2.560 -2.564 1.00 0.00 C ATOM 1394 O LEU A 91 2.896 -2.938 -3.264 1.00 0.00 O ATOM 1395 CB LEU A 91 3.938 -4.634 -1.169 1.00 0.00 C ATOM 1396 CG LEU A 91 5.192 -5.377 -1.632 1.00 0.00 C ATOM 1397 CD1 LEU A 91 4.914 -6.867 -1.758 1.00 0.00 C ATOM 1398 CD2 LEU A 91 5.689 -4.812 -2.954 1.00 0.00 C ATOM 0 H LEU A 91 2.202 -3.126 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 91 5.018 -2.814 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.689 -4.974 -0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.110 -4.922 -1.817 1.00 0.00 H new ATOM 0 HG LEU A 91 5.972 -5.236 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.818 -7.379 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.606 -7.263 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.119 -7.028 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.582 -5.353 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.913 -4.922 -3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.929 -3.756 -2.831 1.00 0.00 H new ATOM 1410 N LEU A 92 4.732 -1.670 -2.975 1.00 0.00 N ATOM 1411 CA LEU A 92 4.663 -1.072 -4.304 1.00 0.00 C ATOM 1412 C LEU A 92 5.867 -1.477 -5.147 1.00 0.00 C ATOM 1413 O LEU A 92 6.947 -1.743 -4.620 1.00 0.00 O ATOM 1414 CB LEU A 92 4.591 0.452 -4.195 1.00 0.00 C ATOM 1415 CG LEU A 92 4.097 1.191 -5.439 1.00 0.00 C ATOM 1416 CD1 LEU A 92 2.577 1.233 -5.467 1.00 0.00 C ATOM 1417 CD2 LEU A 92 4.672 2.600 -5.486 1.00 0.00 C ATOM 0 H LEU A 92 5.515 -1.346 -2.407 1.00 0.00 H new ATOM 0 HA LEU A 92 3.761 -1.438 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.936 0.706 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.584 0.826 -3.945 1.00 0.00 H new ATOM 0 HG LEU A 92 4.441 0.650 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.244 1.763 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.185 0.216 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.211 1.750 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.310 3.111 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.358 3.151 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.760 2.548 -5.514 1.00 0.00 H new