USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 HIS : no HE2:sc= 0 K(o=-0.85,f=-1.6) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-3.6) USER MOD Single : A 28 SER OG : rot -34:sc= 0.0366 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00639 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.329 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -159:sc= 1.25 (180deg=1.15) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -136:sc= -2.76! (180deg=-5.24!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 12.199 50.190 -30.846 1.00 0.00 N ATOM 172 CA SER A 28 13.582 50.675 -31.041 1.00 0.00 C ATOM 173 C SER A 28 13.682 51.950 -31.897 1.00 0.00 C ATOM 174 O SER A 28 12.814 52.236 -32.727 1.00 0.00 O ATOM 175 CB SER A 28 14.457 49.557 -31.630 1.00 0.00 C ATOM 176 OG SER A 28 13.978 49.132 -32.900 1.00 0.00 O ATOM 0 HA SER A 28 13.950 50.953 -30.053 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.483 49.911 -31.727 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.475 48.709 -30.945 1.00 0.00 H new ATOM 0 HG SER A 28 12.999 49.180 -32.913 1.00 0.00 H new ATOM 182 N VAL A 29 14.757 52.726 -31.694 1.00 0.00 N ATOM 183 CA VAL A 29 15.123 53.892 -32.534 1.00 0.00 C ATOM 184 C VAL A 29 16.622 54.230 -32.451 1.00 0.00 C ATOM 185 O VAL A 29 17.249 54.451 -33.489 1.00 0.00 O ATOM 186 CB VAL A 29 14.240 55.121 -32.203 1.00 0.00 C ATOM 187 CG1 VAL A 29 14.378 55.647 -30.767 1.00 0.00 C ATOM 188 CG2 VAL A 29 14.489 56.280 -33.175 1.00 0.00 C ATOM 0 H VAL A 29 15.413 52.564 -30.930 1.00 0.00 H new ATOM 0 HA VAL A 29 14.928 53.611 -33.569 1.00 0.00 H new ATOM 0 HB VAL A 29 13.223 54.744 -32.311 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.722 56.507 -30.630 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.099 54.862 -30.064 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.411 55.946 -30.587 1.00 0.00 H new ATOM 0 HG21 VAL A 29 13.850 57.122 -32.908 1.00 0.00 H new ATOM 0 HG22 VAL A 29 15.534 56.585 -33.118 1.00 0.00 H new ATOM 0 HG23 VAL A 29 14.260 55.958 -34.191 1.00 0.00 H new ATOM 198 N SER A 30 17.200 54.193 -31.238 1.00 0.00 N ATOM 199 CA SER A 30 18.585 54.579 -30.890 1.00 0.00 C ATOM 200 C SER A 30 18.945 56.058 -31.150 1.00 0.00 C ATOM 201 O SER A 30 18.408 56.709 -32.049 1.00 0.00 O ATOM 202 CB SER A 30 19.618 53.623 -31.511 1.00 0.00 C ATOM 203 OG SER A 30 19.364 52.283 -31.105 1.00 0.00 O ATOM 0 H SER A 30 16.682 53.873 -30.420 1.00 0.00 H new ATOM 0 HA SER A 30 18.628 54.478 -29.806 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.580 53.693 -32.598 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.623 53.917 -31.208 1.00 0.00 H new ATOM 0 HG SER A 30 20.028 51.687 -31.510 1.00 0.00 H new ATOM 209 N PHE A 31 19.858 56.606 -30.332 1.00 0.00 N ATOM 210 CA PHE A 31 20.252 58.028 -30.377 1.00 0.00 C ATOM 211 C PHE A 31 21.757 58.299 -30.136 1.00 0.00 C ATOM 212 O PHE A 31 22.242 59.389 -30.445 1.00 0.00 O ATOM 213 CB PHE A 31 19.379 58.785 -29.358 1.00 0.00 C ATOM 214 CG PHE A 31 19.404 60.297 -29.494 1.00 0.00 C ATOM 215 CD1 PHE A 31 18.751 60.914 -30.578 1.00 0.00 C ATOM 216 CD2 PHE A 31 20.072 61.091 -28.539 1.00 0.00 C ATOM 217 CE1 PHE A 31 18.768 62.316 -30.711 1.00 0.00 C ATOM 218 CE2 PHE A 31 20.088 62.492 -28.672 1.00 0.00 C ATOM 219 CZ PHE A 31 19.438 63.104 -29.759 1.00 0.00 C ATOM 0 H PHE A 31 20.349 56.072 -29.614 1.00 0.00 H new ATOM 0 HA PHE A 31 20.086 58.384 -31.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 18.349 58.443 -29.459 1.00 0.00 H new ATOM 0 HB3 PHE A 31 19.706 58.520 -28.353 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.235 60.310 -31.310 1.00 0.00 H new ATOM 0 HD2 PHE A 31 20.572 60.623 -27.704 1.00 0.00 H new ATOM 0 HE1 PHE A 31 18.266 62.786 -31.544 1.00 0.00 H new ATOM 0 HE2 PHE A 31 20.600 63.098 -27.939 1.00 0.00 H new ATOM 0 HZ PHE A 31 19.454 64.179 -29.862 1.00 0.00 H new ATOM 229 N GLY A 32 22.516 57.328 -29.603 1.00 0.00 N ATOM 230 CA GLY A 32 23.941 57.489 -29.278 1.00 0.00 C ATOM 231 C GLY A 32 24.834 57.674 -30.514 1.00 0.00 C ATOM 232 O GLY A 32 24.728 56.918 -31.484 1.00 0.00 O ATOM 0 H GLY A 32 22.153 56.400 -29.384 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.061 58.350 -28.621 1.00 0.00 H new ATOM 0 HA3 GLY A 32 24.280 56.615 -28.722 1.00 0.00 H new ATOM 236 N ALA A 33 25.723 58.674 -30.468 1.00 0.00 N ATOM 237 CA ALA A 33 26.654 59.026 -31.547 1.00 0.00 C ATOM 238 C ALA A 33 27.986 59.594 -30.986 1.00 0.00 C ATOM 239 O ALA A 33 28.253 60.795 -31.115 1.00 0.00 O ATOM 240 CB ALA A 33 25.932 59.997 -32.498 1.00 0.00 C ATOM 0 H ALA A 33 25.817 59.280 -29.653 1.00 0.00 H new ATOM 0 HA ALA A 33 26.942 58.137 -32.109 1.00 0.00 H new ATOM 0 HB1 ALA A 33 26.602 60.276 -33.311 1.00 0.00 H new ATOM 0 HB2 ALA A 33 25.046 59.513 -32.908 1.00 0.00 H new ATOM 0 HB3 ALA A 33 25.636 60.891 -31.949 1.00 0.00 H new ATOM 246 N PRO A 34 28.817 58.764 -30.317 1.00 0.00 N ATOM 247 CA PRO A 34 30.091 59.193 -29.735 1.00 0.00 C ATOM 248 C PRO A 34 31.151 59.530 -30.802 1.00 0.00 C ATOM 249 O PRO A 34 31.148 58.969 -31.904 1.00 0.00 O ATOM 250 CB PRO A 34 30.533 58.032 -28.837 1.00 0.00 C ATOM 251 CG PRO A 34 29.937 56.809 -29.533 1.00 0.00 C ATOM 252 CD PRO A 34 28.611 57.339 -30.075 1.00 0.00 C ATOM 0 HA PRO A 34 29.972 60.120 -29.174 1.00 0.00 H new ATOM 0 HB2 PRO A 34 31.619 57.967 -28.768 1.00 0.00 H new ATOM 0 HB3 PRO A 34 30.155 58.142 -27.821 1.00 0.00 H new ATOM 0 HG2 PRO A 34 30.583 56.444 -30.331 1.00 0.00 H new ATOM 0 HG3 PRO A 34 29.788 55.982 -28.839 1.00 0.00 H new ATOM 0 HD2 PRO A 34 28.331 56.824 -30.994 1.00 0.00 H new ATOM 0 HD3 PRO A 34 27.804 57.177 -29.360 1.00 0.00 H new ATOM 260 N SER A 35 32.088 60.417 -30.445 1.00 0.00 N ATOM 261 CA SER A 35 33.156 60.923 -31.328 1.00 0.00 C ATOM 262 C SER A 35 34.529 60.947 -30.618 1.00 0.00 C ATOM 263 O SER A 35 35.060 62.028 -30.338 1.00 0.00 O ATOM 264 CB SER A 35 32.783 62.314 -31.872 1.00 0.00 C ATOM 265 OG SER A 35 31.602 62.263 -32.666 1.00 0.00 O ATOM 0 H SER A 35 32.129 60.816 -29.507 1.00 0.00 H new ATOM 0 HA SER A 35 33.249 60.235 -32.169 1.00 0.00 H new ATOM 0 HB2 SER A 35 32.635 63.003 -31.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 33.607 62.706 -32.468 1.00 0.00 H new ATOM 0 HG SER A 35 31.390 63.161 -32.995 1.00 0.00 H new ATOM 271 N PRO A 36 35.115 59.776 -30.283 1.00 0.00 N ATOM 272 CA PRO A 36 36.433 59.691 -29.650 1.00 0.00 C ATOM 273 C PRO A 36 37.554 60.190 -30.584 1.00 0.00 C ATOM 274 O PRO A 36 37.525 59.945 -31.794 1.00 0.00 O ATOM 275 CB PRO A 36 36.609 58.217 -29.269 1.00 0.00 C ATOM 276 CG PRO A 36 35.762 57.481 -30.308 1.00 0.00 C ATOM 277 CD PRO A 36 34.593 58.437 -30.536 1.00 0.00 C ATOM 0 HA PRO A 36 36.498 60.335 -28.773 1.00 0.00 H new ATOM 0 HB2 PRO A 36 37.655 57.912 -29.314 1.00 0.00 H new ATOM 0 HB3 PRO A 36 36.262 58.020 -28.255 1.00 0.00 H new ATOM 0 HG2 PRO A 36 36.319 57.298 -31.227 1.00 0.00 H new ATOM 0 HG3 PRO A 36 35.425 56.511 -29.941 1.00 0.00 H new ATOM 0 HD2 PRO A 36 34.212 58.352 -31.554 1.00 0.00 H new ATOM 0 HD3 PRO A 36 33.765 58.208 -29.866 1.00 0.00 H new ATOM 285 N LEU A 37 38.544 60.890 -30.013 1.00 0.00 N ATOM 286 CA LEU A 37 39.604 61.590 -30.764 1.00 0.00 C ATOM 287 C LEU A 37 41.030 61.384 -30.197 1.00 0.00 C ATOM 288 O LEU A 37 42.010 61.742 -30.853 1.00 0.00 O ATOM 289 CB LEU A 37 39.195 63.079 -30.826 1.00 0.00 C ATOM 290 CG LEU A 37 40.015 63.990 -31.763 1.00 0.00 C ATOM 291 CD1 LEU A 37 40.004 63.510 -33.217 1.00 0.00 C ATOM 292 CD2 LEU A 37 39.431 65.404 -31.732 1.00 0.00 C ATOM 0 H LEU A 37 38.635 60.989 -29.002 1.00 0.00 H new ATOM 0 HA LEU A 37 39.678 61.163 -31.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 38.150 63.131 -31.131 1.00 0.00 H new ATOM 0 HB3 LEU A 37 39.253 63.489 -29.818 1.00 0.00 H new ATOM 0 HG LEU A 37 41.044 63.968 -31.403 1.00 0.00 H new ATOM 0 HD11 LEU A 37 40.597 64.190 -33.829 1.00 0.00 H new ATOM 0 HD12 LEU A 37 40.429 62.508 -33.272 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.979 63.491 -33.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 40.008 66.051 -32.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 38.394 65.377 -32.066 1.00 0.00 H new ATOM 0 HD23 LEU A 37 39.475 65.793 -30.715 1.00 0.00 H new ATOM 304 N SER A 38 41.171 60.804 -29.000 1.00 0.00 N ATOM 305 CA SER A 38 42.464 60.573 -28.336 1.00 0.00 C ATOM 306 C SER A 38 43.214 59.344 -28.885 1.00 0.00 C ATOM 307 O SER A 38 42.610 58.307 -29.180 1.00 0.00 O ATOM 308 CB SER A 38 42.278 60.480 -26.813 1.00 0.00 C ATOM 309 OG SER A 38 41.278 59.529 -26.464 1.00 0.00 O ATOM 0 H SER A 38 40.376 60.475 -28.453 1.00 0.00 H new ATOM 0 HA SER A 38 43.094 61.434 -28.561 1.00 0.00 H new ATOM 0 HB2 SER A 38 43.223 60.202 -26.347 1.00 0.00 H new ATOM 0 HB3 SER A 38 42.004 61.459 -26.419 1.00 0.00 H new ATOM 0 HG SER A 38 41.186 59.494 -25.489 1.00 0.00 H new ATOM 315 N SER A 39 44.546 59.467 -28.998 1.00 0.00 N ATOM 316 CA SER A 39 45.439 58.459 -29.611 1.00 0.00 C ATOM 317 C SER A 39 46.766 58.259 -28.847 1.00 0.00 C ATOM 318 O SER A 39 47.743 57.772 -29.417 1.00 0.00 O ATOM 319 CB SER A 39 45.720 58.824 -31.082 1.00 0.00 C ATOM 320 OG SER A 39 44.521 58.923 -31.843 1.00 0.00 O ATOM 0 H SER A 39 45.048 60.288 -28.659 1.00 0.00 H new ATOM 0 HA SER A 39 44.910 57.507 -29.556 1.00 0.00 H new ATOM 0 HB2 SER A 39 46.256 59.772 -31.125 1.00 0.00 H new ATOM 0 HB3 SER A 39 46.370 58.070 -31.525 1.00 0.00 H new ATOM 0 HG SER A 39 44.740 59.157 -32.769 1.00 0.00 H new ATOM 326 N GLU A 40 46.827 58.663 -27.568 1.00 0.00 N ATOM 327 CA GLU A 40 48.052 58.682 -26.735 1.00 0.00 C ATOM 328 C GLU A 40 49.221 59.479 -27.371 1.00 0.00 C ATOM 329 O GLU A 40 50.402 59.162 -27.190 1.00 0.00 O ATOM 330 CB GLU A 40 48.445 57.261 -26.279 1.00 0.00 C ATOM 331 CG GLU A 40 47.323 56.541 -25.518 1.00 0.00 C ATOM 332 CD GLU A 40 47.804 55.172 -25.001 1.00 0.00 C ATOM 333 OE1 GLU A 40 47.699 54.163 -25.742 1.00 0.00 O ATOM 334 OE2 GLU A 40 48.285 55.087 -23.843 1.00 0.00 O ATOM 0 H GLU A 40 46.004 58.996 -27.065 1.00 0.00 H new ATOM 0 HA GLU A 40 47.810 59.242 -25.832 1.00 0.00 H new ATOM 0 HB2 GLU A 40 48.722 56.669 -27.152 1.00 0.00 H new ATOM 0 HB3 GLU A 40 49.327 57.321 -25.642 1.00 0.00 H new ATOM 0 HG2 GLU A 40 46.993 57.156 -24.680 1.00 0.00 H new ATOM 0 HG3 GLU A 40 46.462 56.406 -26.173 1.00 0.00 H new ATOM 341 N SER A 41 48.883 60.513 -28.150 1.00 0.00 N ATOM 342 CA SER A 41 49.811 61.401 -28.860 1.00 0.00 C ATOM 343 C SER A 41 50.267 62.597 -28.007 1.00 0.00 C ATOM 344 O SER A 41 49.577 63.028 -27.080 1.00 0.00 O ATOM 345 CB SER A 41 49.180 61.869 -30.181 1.00 0.00 C ATOM 346 OG SER A 41 47.883 62.419 -29.972 1.00 0.00 O ATOM 0 H SER A 41 47.908 60.765 -28.310 1.00 0.00 H new ATOM 0 HA SER A 41 50.711 60.826 -29.076 1.00 0.00 H new ATOM 0 HB2 SER A 41 49.822 62.615 -30.648 1.00 0.00 H new ATOM 0 HB3 SER A 41 49.113 61.029 -30.872 1.00 0.00 H new ATOM 0 HG SER A 41 47.509 62.709 -30.830 1.00 0.00 H new ATOM 352 N GLU A 42 51.451 63.141 -28.331 1.00 0.00 N ATOM 353 CA GLU A 42 52.083 64.295 -27.656 1.00 0.00 C ATOM 354 C GLU A 42 52.369 64.116 -26.146 1.00 0.00 C ATOM 355 O GLU A 42 52.699 65.082 -25.453 1.00 0.00 O ATOM 356 CB GLU A 42 51.348 65.612 -27.985 1.00 0.00 C ATOM 357 CG GLU A 42 51.224 65.880 -29.491 1.00 0.00 C ATOM 358 CD GLU A 42 50.591 67.261 -29.749 1.00 0.00 C ATOM 359 OE1 GLU A 42 49.341 67.359 -29.840 1.00 0.00 O ATOM 360 OE2 GLU A 42 51.336 68.264 -29.871 1.00 0.00 O ATOM 0 H GLU A 42 52.018 62.779 -29.098 1.00 0.00 H new ATOM 0 HA GLU A 42 53.084 64.355 -28.083 1.00 0.00 H new ATOM 0 HB2 GLU A 42 50.351 65.583 -27.545 1.00 0.00 H new ATOM 0 HB3 GLU A 42 51.878 66.442 -27.518 1.00 0.00 H new ATOM 0 HG2 GLU A 42 52.209 65.833 -29.956 1.00 0.00 H new ATOM 0 HG3 GLU A 42 50.616 65.103 -29.955 1.00 0.00 H new ATOM 367 N ASP A 43 52.332 62.880 -25.637 1.00 0.00 N ATOM 368 CA ASP A 43 52.803 62.534 -24.291 1.00 0.00 C ATOM 369 C ASP A 43 54.343 62.462 -24.270 1.00 0.00 C ATOM 370 O ASP A 43 54.943 61.451 -24.641 1.00 0.00 O ATOM 371 CB ASP A 43 52.154 61.223 -23.815 1.00 0.00 C ATOM 372 CG ASP A 43 50.669 61.405 -23.452 1.00 0.00 C ATOM 373 OD1 ASP A 43 50.366 62.198 -22.525 1.00 0.00 O ATOM 374 OD2 ASP A 43 49.800 60.725 -24.051 1.00 0.00 O ATOM 0 H ASP A 43 51.969 62.080 -26.156 1.00 0.00 H new ATOM 0 HA ASP A 43 52.502 63.314 -23.592 1.00 0.00 H new ATOM 0 HB2 ASP A 43 52.245 60.470 -24.598 1.00 0.00 H new ATOM 0 HB3 ASP A 43 52.695 60.847 -22.947 1.00 0.00 H new ATOM 379 N GLU A 44 54.980 63.562 -23.850 1.00 0.00 N ATOM 380 CA GLU A 44 56.439 63.726 -23.689 1.00 0.00 C ATOM 381 C GLU A 44 57.291 63.475 -24.955 1.00 0.00 C ATOM 382 O GLU A 44 58.502 63.270 -24.854 1.00 0.00 O ATOM 383 CB GLU A 44 56.949 62.936 -22.461 1.00 0.00 C ATOM 384 CG GLU A 44 56.213 63.238 -21.145 1.00 0.00 C ATOM 385 CD GLU A 44 56.336 64.719 -20.736 1.00 0.00 C ATOM 386 OE1 GLU A 44 57.386 65.112 -20.170 1.00 0.00 O ATOM 387 OE2 GLU A 44 55.383 65.503 -20.966 1.00 0.00 O ATOM 0 H GLU A 44 54.469 64.409 -23.599 1.00 0.00 H new ATOM 0 HA GLU A 44 56.585 64.791 -23.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 56.863 61.870 -22.672 1.00 0.00 H new ATOM 0 HB3 GLU A 44 58.009 63.150 -22.325 1.00 0.00 H new ATOM 0 HG2 GLU A 44 55.160 62.979 -21.252 1.00 0.00 H new ATOM 0 HG3 GLU A 44 56.617 62.609 -20.352 1.00 0.00 H new ATOM 631 N ALA A 61 67.152 34.083 -15.953 1.00 0.00 N ATOM 632 CA ALA A 61 68.439 33.487 -15.595 1.00 0.00 C ATOM 633 C ALA A 61 68.396 32.754 -14.241 1.00 0.00 C ATOM 634 O ALA A 61 68.013 33.337 -13.224 1.00 0.00 O ATOM 635 CB ALA A 61 69.525 34.567 -15.624 1.00 0.00 C ATOM 0 HA ALA A 61 68.678 32.722 -16.334 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.485 34.125 -15.357 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.587 34.993 -16.625 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.276 35.352 -14.910 1.00 0.00 H new ATOM 641 N ALA A 62 68.843 31.496 -14.220 1.00 0.00 N ATOM 642 CA ALA A 62 69.153 30.741 -13.004 1.00 0.00 C ATOM 643 C ALA A 62 70.605 30.997 -12.552 1.00 0.00 C ATOM 644 O ALA A 62 71.500 31.202 -13.378 1.00 0.00 O ATOM 645 CB ALA A 62 68.865 29.255 -13.243 1.00 0.00 C ATOM 0 H ALA A 62 69.004 30.960 -15.073 1.00 0.00 H new ATOM 0 HA ALA A 62 68.515 31.080 -12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.095 28.690 -12.340 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.813 29.124 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.483 28.892 -14.065 1.00 0.00 H new ATOM 651 N LEU A 63 70.837 30.996 -11.234 1.00 0.00 N ATOM 652 CA LEU A 63 72.096 31.429 -10.611 1.00 0.00 C ATOM 653 C LEU A 63 72.667 30.384 -9.638 1.00 0.00 C ATOM 654 O LEU A 63 71.931 29.573 -9.070 1.00 0.00 O ATOM 655 CB LEU A 63 71.886 32.767 -9.870 1.00 0.00 C ATOM 656 CG LEU A 63 71.265 33.914 -10.688 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.103 35.145 -9.798 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.122 34.318 -11.885 1.00 0.00 C ATOM 0 H LEU A 63 70.141 30.688 -10.555 1.00 0.00 H new ATOM 0 HA LEU A 63 72.821 31.554 -11.415 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.250 32.582 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.851 33.102 -9.490 1.00 0.00 H new ATOM 0 HG LEU A 63 70.306 33.550 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.663 35.957 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.451 34.904 -8.958 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.079 35.454 -9.423 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.634 35.130 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.100 34.649 -11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.244 33.463 -12.550 1.00 0.00 H new ATOM 670 N HIS A 64 73.977 30.459 -9.391 1.00 0.00 N ATOM 671 CA HIS A 64 74.647 29.742 -8.298 1.00 0.00 C ATOM 672 C HIS A 64 74.402 30.454 -6.961 1.00 0.00 C ATOM 673 O HIS A 64 74.483 31.682 -6.889 1.00 0.00 O ATOM 674 CB HIS A 64 76.148 29.659 -8.596 1.00 0.00 C ATOM 675 CG HIS A 64 76.514 28.733 -9.728 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.568 27.339 -9.642 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.930 29.121 -10.970 1.00 0.00 C ATOM 678 CE1 HIS A 64 77.026 26.918 -10.833 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.255 27.966 -11.645 1.00 0.00 N ATOM 0 H HIS A 64 74.613 31.027 -9.951 1.00 0.00 H new ATOM 0 HA HIS A 64 74.239 28.734 -8.223 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.514 30.659 -8.829 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.666 29.332 -7.695 1.00 0.00 H new ATOM 0 HD1 HIS A 64 76.313 26.761 -8.841 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.992 30.131 -11.347 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.188 25.884 -11.101 1.00 0.00 H new ATOM 687 N ALA A 65 74.134 29.699 -5.891 1.00 0.00 N ATOM 688 CA ALA A 65 73.780 30.252 -4.575 1.00 0.00 C ATOM 689 C ALA A 65 74.971 30.396 -3.599 1.00 0.00 C ATOM 690 O ALA A 65 74.853 31.080 -2.580 1.00 0.00 O ATOM 691 CB ALA A 65 72.669 29.374 -3.987 1.00 0.00 C ATOM 0 H ALA A 65 74.156 28.679 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 65 73.437 31.277 -4.718 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.382 29.757 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.804 29.389 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.030 28.351 -3.884 1.00 0.00 H new ATOM 697 N GLU A 66 76.108 29.750 -3.883 1.00 0.00 N ATOM 698 CA GLU A 66 77.272 29.658 -2.984 1.00 0.00 C ATOM 699 C GLU A 66 78.613 29.539 -3.740 1.00 0.00 C ATOM 700 O GLU A 66 78.645 29.331 -4.957 1.00 0.00 O ATOM 701 CB GLU A 66 77.072 28.482 -2.005 1.00 0.00 C ATOM 702 CG GLU A 66 77.018 27.101 -2.675 1.00 0.00 C ATOM 703 CD GLU A 66 76.812 25.994 -1.623 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.816 25.479 -1.071 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.646 25.623 -1.341 1.00 0.00 O ATOM 0 H GLU A 66 76.251 29.263 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 66 77.333 30.592 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 66 77.884 28.488 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 66 76.147 28.640 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 66 76.206 27.075 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.942 26.921 -3.224 1.00 0.00 H new ATOM 712 N GLY A 67 79.729 29.664 -3.011 1.00 0.00 N ATOM 713 CA GLY A 67 81.090 29.566 -3.560 1.00 0.00 C ATOM 714 C GLY A 67 81.521 30.785 -4.396 1.00 0.00 C ATOM 715 O GLY A 67 80.870 31.835 -4.346 1.00 0.00 O ATOM 0 H GLY A 67 79.713 29.839 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.793 29.436 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.156 28.672 -4.180 1.00 0.00 H new ATOM 719 N PRO A 68 82.604 30.673 -5.193 1.00 0.00 N ATOM 720 CA PRO A 68 83.151 31.791 -5.973 1.00 0.00 C ATOM 721 C PRO A 68 82.229 32.263 -7.113 1.00 0.00 C ATOM 722 O PRO A 68 82.393 33.379 -7.611 1.00 0.00 O ATOM 723 CB PRO A 68 84.501 31.286 -6.496 1.00 0.00 C ATOM 724 CG PRO A 68 84.312 29.773 -6.581 1.00 0.00 C ATOM 725 CD PRO A 68 83.422 29.479 -5.376 1.00 0.00 C ATOM 0 HA PRO A 68 83.254 32.679 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.740 31.715 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.316 31.551 -5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.838 29.476 -7.517 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.262 29.242 -6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.800 28.601 -5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.020 29.273 -4.488 1.00 0.00 H new ATOM 733 N LEU A 69 81.244 31.444 -7.512 1.00 0.00 N ATOM 734 CA LEU A 69 80.231 31.781 -8.521 1.00 0.00 C ATOM 735 C LEU A 69 78.921 32.334 -7.927 1.00 0.00 C ATOM 736 O LEU A 69 77.970 32.524 -8.677 1.00 0.00 O ATOM 737 CB LEU A 69 79.969 30.566 -9.435 1.00 0.00 C ATOM 738 CG LEU A 69 81.172 30.070 -10.260 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.768 28.806 -11.012 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.674 31.097 -11.277 1.00 0.00 C ATOM 0 H LEU A 69 81.128 30.505 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 69 80.641 32.597 -9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.613 29.742 -8.817 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.162 30.821 -10.123 1.00 0.00 H new ATOM 0 HG LEU A 69 81.983 29.884 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.613 28.446 -11.599 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.469 28.038 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.933 29.029 -11.676 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.522 30.684 -11.823 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.874 31.337 -11.977 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.985 32.003 -10.756 1.00 0.00 H new ATOM 752 N ALA A 70 78.816 32.598 -6.621 1.00 0.00 N ATOM 753 CA ALA A 70 77.570 33.068 -6.010 1.00 0.00 C ATOM 754 C ALA A 70 77.019 34.335 -6.704 1.00 0.00 C ATOM 755 O ALA A 70 77.699 35.360 -6.819 1.00 0.00 O ATOM 756 CB ALA A 70 77.793 33.294 -4.510 1.00 0.00 C ATOM 0 H ALA A 70 79.587 32.493 -5.962 1.00 0.00 H new ATOM 0 HA ALA A 70 76.809 32.299 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.867 33.644 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.097 32.358 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.573 34.041 -4.367 1.00 0.00 H new ATOM 762 N GLY A 71 75.774 34.240 -7.177 1.00 0.00 N ATOM 763 CA GLY A 71 75.078 35.270 -7.962 1.00 0.00 C ATOM 764 C GLY A 71 75.399 35.281 -9.469 1.00 0.00 C ATOM 765 O GLY A 71 74.895 36.150 -10.183 1.00 0.00 O ATOM 0 H GLY A 71 75.198 33.413 -7.019 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.004 35.134 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.325 36.247 -7.548 1.00 0.00 H new ATOM 769 N LEU A 72 76.215 34.340 -9.962 1.00 0.00 N ATOM 770 CA LEU A 72 76.621 34.189 -11.371 1.00 0.00 C ATOM 771 C LEU A 72 75.824 33.044 -12.058 1.00 0.00 C ATOM 772 O LEU A 72 75.184 32.251 -11.360 1.00 0.00 O ATOM 773 CB LEU A 72 78.163 34.034 -11.433 1.00 0.00 C ATOM 774 CG LEU A 72 78.993 35.092 -10.672 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.473 34.937 -11.030 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.609 36.537 -11.006 1.00 0.00 C ATOM 0 H LEU A 72 76.632 33.628 -9.363 1.00 0.00 H new ATOM 0 HA LEU A 72 76.371 35.080 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.423 33.050 -11.042 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.466 34.051 -12.480 1.00 0.00 H new ATOM 0 HG LEU A 72 78.793 34.916 -9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.057 35.684 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.813 33.940 -10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.604 35.077 -12.103 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.235 37.221 -10.433 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.756 36.716 -12.071 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.562 36.703 -10.752 1.00 0.00 H new ATOM 788 N PRO A 73 75.793 32.954 -13.406 1.00 0.00 N ATOM 789 CA PRO A 73 74.839 32.130 -14.155 1.00 0.00 C ATOM 790 C PRO A 73 75.175 30.638 -14.130 1.00 0.00 C ATOM 791 O PRO A 73 76.338 30.265 -13.998 1.00 0.00 O ATOM 792 CB PRO A 73 74.894 32.654 -15.591 1.00 0.00 C ATOM 793 CG PRO A 73 76.312 33.192 -15.733 1.00 0.00 C ATOM 794 CD PRO A 73 76.678 33.645 -14.329 1.00 0.00 C ATOM 0 HA PRO A 73 73.849 32.207 -13.705 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.693 31.862 -16.313 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.152 33.435 -15.760 1.00 0.00 H new ATOM 0 HG2 PRO A 73 76.995 32.424 -16.095 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.356 34.018 -16.443 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.720 33.412 -14.110 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.566 34.725 -14.233 1.00 0.00 H new ATOM 802 N VAL A 74 74.185 29.771 -14.358 1.00 0.00 N ATOM 803 CA VAL A 74 74.416 28.318 -14.475 1.00 0.00 C ATOM 804 C VAL A 74 74.632 27.871 -15.933 1.00 0.00 C ATOM 805 O VAL A 74 75.475 27.004 -16.166 1.00 0.00 O ATOM 806 CB VAL A 74 73.308 27.518 -13.765 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.603 26.012 -13.753 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.148 27.956 -12.299 1.00 0.00 C ATOM 0 H VAL A 74 73.209 30.046 -14.467 1.00 0.00 H new ATOM 0 HA VAL A 74 75.350 28.096 -13.959 1.00 0.00 H new ATOM 0 HB VAL A 74 72.397 27.718 -14.329 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.796 25.487 -13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.681 25.648 -14.778 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.542 25.829 -13.230 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.358 27.371 -11.829 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.085 27.794 -11.767 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.887 29.014 -12.262 1.00 0.00 H new ATOM 818 N THR A 75 73.947 28.471 -16.918 1.00 0.00 N ATOM 819 CA THR A 75 74.022 28.101 -18.357 1.00 0.00 C ATOM 820 C THR A 75 74.425 29.246 -19.293 1.00 0.00 C ATOM 821 O THR A 75 74.491 30.407 -18.891 1.00 0.00 O ATOM 822 CB THR A 75 72.704 27.482 -18.854 1.00 0.00 C ATOM 823 OG1 THR A 75 71.721 28.487 -18.984 1.00 0.00 O ATOM 824 CG2 THR A 75 72.224 26.366 -17.935 1.00 0.00 C ATOM 0 H THR A 75 73.308 29.246 -16.742 1.00 0.00 H new ATOM 0 HA THR A 75 74.823 27.363 -18.399 1.00 0.00 H new ATOM 0 HB THR A 75 72.885 27.035 -19.831 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.885 28.087 -19.302 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.291 25.954 -18.319 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.978 25.580 -17.893 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.059 26.765 -16.934 1.00 0.00 H new ATOM 832 N ARG A 76 74.656 28.935 -20.582 1.00 0.00 N ATOM 833 CA ARG A 76 74.909 29.946 -21.636 1.00 0.00 C ATOM 834 C ARG A 76 73.716 30.890 -21.822 1.00 0.00 C ATOM 835 O ARG A 76 73.902 32.093 -21.979 1.00 0.00 O ATOM 836 CB ARG A 76 75.349 29.264 -22.954 1.00 0.00 C ATOM 837 CG ARG A 76 74.255 28.430 -23.656 1.00 0.00 C ATOM 838 CD ARG A 76 74.769 27.686 -24.897 1.00 0.00 C ATOM 839 NE ARG A 76 75.638 26.539 -24.550 1.00 0.00 N ATOM 840 CZ ARG A 76 76.086 25.614 -25.384 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.818 25.640 -26.660 1.00 0.00 N ATOM 842 NH2 ARG A 76 76.818 24.629 -24.949 1.00 0.00 N ATOM 0 H ARG A 76 74.673 27.975 -20.927 1.00 0.00 H new ATOM 0 HA ARG A 76 75.736 30.577 -21.310 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.697 30.032 -23.644 1.00 0.00 H new ATOM 0 HB3 ARG A 76 76.199 28.616 -22.743 1.00 0.00 H new ATOM 0 HG2 ARG A 76 73.848 27.707 -22.949 1.00 0.00 H new ATOM 0 HG3 ARG A 76 73.436 29.088 -23.947 1.00 0.00 H new ATOM 0 HD2 ARG A 76 73.920 27.331 -25.481 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.323 28.380 -25.529 1.00 0.00 H new ATOM 0 HE ARG A 76 75.919 26.453 -23.573 1.00 0.00 H new ATOM 0 HH11 ARG A 76 75.245 26.391 -27.046 1.00 0.00 H new ATOM 0 HH12 ARG A 76 76.181 24.909 -27.272 1.00 0.00 H new ATOM 0 HH21 ARG A 76 77.051 24.565 -23.958 1.00 0.00 H new ATOM 0 HH22 ARG A 76 77.159 23.921 -25.599 1.00 0.00 H new ATOM 856 N SER A 77 72.500 30.360 -21.698 1.00 0.00 N ATOM 857 CA SER A 77 71.260 31.146 -21.702 1.00 0.00 C ATOM 858 C SER A 77 71.189 32.049 -20.472 1.00 0.00 C ATOM 859 O SER A 77 70.933 33.242 -20.610 1.00 0.00 O ATOM 860 CB SER A 77 70.035 30.226 -21.757 1.00 0.00 C ATOM 861 OG SER A 77 70.126 29.361 -22.883 1.00 0.00 O ATOM 0 H SER A 77 72.343 29.358 -21.590 1.00 0.00 H new ATOM 0 HA SER A 77 71.261 31.774 -22.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.970 29.639 -20.841 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.125 30.822 -21.819 1.00 0.00 H new ATOM 0 HG SER A 77 69.341 28.775 -22.910 1.00 0.00 H new ATOM 867 N ASP A 78 71.525 31.534 -19.282 1.00 0.00 N ATOM 868 CA ASP A 78 71.569 32.356 -18.066 1.00 0.00 C ATOM 869 C ASP A 78 72.601 33.490 -18.192 1.00 0.00 C ATOM 870 O ASP A 78 72.307 34.630 -17.837 1.00 0.00 O ATOM 871 CB ASP A 78 71.901 31.498 -16.843 1.00 0.00 C ATOM 872 CG ASP A 78 70.901 30.376 -16.532 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.680 30.542 -16.767 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.358 29.349 -15.983 1.00 0.00 O ATOM 0 H ASP A 78 71.770 30.555 -19.136 1.00 0.00 H new ATOM 0 HA ASP A 78 70.581 32.798 -17.938 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.885 31.053 -16.989 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.972 32.150 -15.972 1.00 0.00 H new ATOM 879 N ALA A 79 73.787 33.207 -18.749 1.00 0.00 N ATOM 880 CA ALA A 79 74.842 34.194 -18.978 1.00 0.00 C ATOM 881 C ALA A 79 74.430 35.287 -19.981 1.00 0.00 C ATOM 882 O ALA A 79 74.627 36.471 -19.707 1.00 0.00 O ATOM 883 CB ALA A 79 76.118 33.448 -19.412 1.00 0.00 C ATOM 0 H ALA A 79 74.041 32.268 -19.057 1.00 0.00 H new ATOM 0 HA ALA A 79 75.034 34.731 -18.049 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.918 34.167 -19.588 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.419 32.755 -18.626 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.921 32.893 -20.329 1.00 0.00 H new ATOM 889 N ARG A 80 73.800 34.926 -21.108 1.00 0.00 N ATOM 890 CA ARG A 80 73.303 35.896 -22.107 1.00 0.00 C ATOM 891 C ARG A 80 72.164 36.765 -21.557 1.00 0.00 C ATOM 892 O ARG A 80 72.178 37.979 -21.757 1.00 0.00 O ATOM 893 CB ARG A 80 72.884 35.151 -23.389 1.00 0.00 C ATOM 894 CG ARG A 80 74.110 34.643 -24.172 1.00 0.00 C ATOM 895 CD ARG A 80 73.715 33.725 -25.336 1.00 0.00 C ATOM 896 NE ARG A 80 72.935 34.436 -26.373 1.00 0.00 N ATOM 897 CZ ARG A 80 72.306 33.889 -27.402 1.00 0.00 C ATOM 898 NH1 ARG A 80 72.322 32.605 -27.623 1.00 0.00 N ATOM 899 NH2 ARG A 80 71.641 34.632 -28.240 1.00 0.00 N ATOM 0 H ARG A 80 73.618 33.954 -21.357 1.00 0.00 H new ATOM 0 HA ARG A 80 74.115 36.582 -22.349 1.00 0.00 H new ATOM 0 HB2 ARG A 80 72.242 34.309 -23.129 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.296 35.816 -24.022 1.00 0.00 H new ATOM 0 HG2 ARG A 80 74.671 35.494 -24.557 1.00 0.00 H new ATOM 0 HG3 ARG A 80 74.773 34.104 -23.495 1.00 0.00 H new ATOM 0 HD2 ARG A 80 74.615 33.305 -25.786 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.129 32.889 -24.954 1.00 0.00 H new ATOM 0 HE ARG A 80 72.876 35.451 -26.287 1.00 0.00 H new ATOM 0 HH11 ARG A 80 72.831 31.985 -26.993 1.00 0.00 H new ATOM 0 HH12 ARG A 80 71.826 32.220 -28.426 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.602 35.642 -28.106 1.00 0.00 H new ATOM 0 HH22 ARG A 80 71.159 34.203 -29.030 1.00 0.00 H new ATOM 913 N VAL A 81 71.236 36.180 -20.794 1.00 0.00 N ATOM 914 CA VAL A 81 70.163 36.926 -20.104 1.00 0.00 C ATOM 915 C VAL A 81 70.740 37.879 -19.063 1.00 0.00 C ATOM 916 O VAL A 81 70.353 39.044 -19.042 1.00 0.00 O ATOM 917 CB VAL A 81 69.149 35.979 -19.442 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.128 36.723 -18.569 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.359 35.224 -20.505 1.00 0.00 C ATOM 0 H VAL A 81 71.202 35.173 -20.633 1.00 0.00 H new ATOM 0 HA VAL A 81 69.641 37.508 -20.863 1.00 0.00 H new ATOM 0 HB VAL A 81 69.733 35.303 -18.817 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.437 36.006 -18.126 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.650 37.261 -17.777 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.572 37.431 -19.183 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.645 34.557 -20.022 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.824 35.935 -21.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.043 34.639 -21.120 1.00 0.00 H new ATOM 929 N LEU A 82 71.690 37.422 -18.240 1.00 0.00 N ATOM 930 CA LEU A 82 72.392 38.301 -17.293 1.00 0.00 C ATOM 931 C LEU A 82 73.080 39.471 -17.998 1.00 0.00 C ATOM 932 O LEU A 82 72.867 40.608 -17.588 1.00 0.00 O ATOM 933 CB LEU A 82 73.437 37.527 -16.473 1.00 0.00 C ATOM 934 CG LEU A 82 72.901 36.767 -15.251 1.00 0.00 C ATOM 935 CD1 LEU A 82 74.103 36.128 -14.565 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.202 37.681 -14.242 1.00 0.00 C ATOM 0 H LEU A 82 71.992 36.448 -18.209 1.00 0.00 H new ATOM 0 HA LEU A 82 71.628 38.695 -16.623 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.932 36.814 -17.132 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.198 38.230 -16.135 1.00 0.00 H new ATOM 0 HG LEU A 82 72.164 36.039 -15.590 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.769 35.575 -13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.597 35.446 -15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.803 36.905 -14.259 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.844 37.088 -13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.906 38.432 -13.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.357 38.175 -14.723 1.00 0.00 H new ATOM 948 N ILE A 83 73.846 39.218 -19.068 1.00 0.00 N ATOM 949 CA ILE A 83 74.498 40.278 -19.857 1.00 0.00 C ATOM 950 C ILE A 83 73.462 41.304 -20.327 1.00 0.00 C ATOM 951 O ILE A 83 73.659 42.497 -20.110 1.00 0.00 O ATOM 952 CB ILE A 83 75.301 39.675 -21.034 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.590 39.023 -20.480 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.649 40.733 -22.104 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.273 38.066 -21.464 1.00 0.00 C ATOM 0 H ILE A 83 74.032 38.276 -19.412 1.00 0.00 H new ATOM 0 HA ILE A 83 75.213 40.802 -19.223 1.00 0.00 H new ATOM 0 HB ILE A 83 74.681 38.924 -21.524 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.294 39.809 -20.204 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.347 38.478 -19.568 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.213 40.263 -22.910 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.730 41.161 -22.505 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.250 41.522 -21.653 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.169 37.649 -21.004 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.588 37.258 -21.721 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.549 38.609 -22.368 1.00 0.00 H new ATOM 967 N PHE A 84 72.348 40.857 -20.918 1.00 0.00 N ATOM 968 CA PHE A 84 71.307 41.756 -21.414 1.00 0.00 C ATOM 969 C PHE A 84 70.620 42.549 -20.291 1.00 0.00 C ATOM 970 O PHE A 84 70.576 43.773 -20.358 1.00 0.00 O ATOM 971 CB PHE A 84 70.287 40.961 -22.240 1.00 0.00 C ATOM 972 CG PHE A 84 69.419 41.817 -23.146 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.017 42.636 -24.124 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.015 41.770 -23.052 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.227 43.355 -25.032 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.222 42.524 -23.938 1.00 0.00 C ATOM 977 CZ PHE A 84 67.827 43.309 -24.936 1.00 0.00 C ATOM 0 H PHE A 84 72.146 39.868 -21.064 1.00 0.00 H new ATOM 0 HA PHE A 84 71.787 42.497 -22.053 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.819 40.231 -22.849 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.643 40.401 -21.561 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.093 42.711 -24.175 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.545 41.154 -22.299 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.696 43.945 -25.806 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.146 42.500 -23.851 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.217 43.874 -25.626 1.00 0.00 H new ATOM 987 N ASN A 85 70.136 41.881 -19.238 1.00 0.00 N ATOM 988 CA ASN A 85 69.406 42.526 -18.144 1.00 0.00 C ATOM 989 C ASN A 85 70.294 43.482 -17.324 1.00 0.00 C ATOM 990 O ASN A 85 69.884 44.604 -17.017 1.00 0.00 O ATOM 991 CB ASN A 85 68.777 41.432 -17.266 1.00 0.00 C ATOM 992 CG ASN A 85 67.958 42.023 -16.129 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.810 42.405 -16.294 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.517 42.130 -14.941 1.00 0.00 N ATOM 0 H ASN A 85 70.241 40.873 -19.121 1.00 0.00 H new ATOM 0 HA ASN A 85 68.620 43.154 -18.565 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.140 40.795 -17.880 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.563 40.798 -16.856 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.991 42.530 -14.164 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.476 41.812 -14.798 1.00 0.00 H new ATOM 1001 N GLU A 86 71.522 43.058 -16.998 1.00 0.00 N ATOM 1002 CA GLU A 86 72.503 43.918 -16.334 1.00 0.00 C ATOM 1003 C GLU A 86 72.815 45.132 -17.212 1.00 0.00 C ATOM 1004 O GLU A 86 72.668 46.256 -16.742 1.00 0.00 O ATOM 1005 CB GLU A 86 73.773 43.127 -15.968 1.00 0.00 C ATOM 1006 CG GLU A 86 74.799 44.014 -15.251 1.00 0.00 C ATOM 1007 CD GLU A 86 75.948 43.224 -14.591 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.463 42.240 -15.177 1.00 0.00 O ATOM 1009 OE2 GLU A 86 76.375 43.633 -13.482 1.00 0.00 O ATOM 0 H GLU A 86 71.859 42.114 -17.187 1.00 0.00 H new ATOM 0 HA GLU A 86 72.079 44.283 -15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 86 73.507 42.286 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.218 42.712 -16.872 1.00 0.00 H new ATOM 0 HG2 GLU A 86 75.220 44.720 -15.967 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.288 44.601 -14.488 1.00 0.00 H new ATOM 1016 N TRP A 87 73.157 44.939 -18.492 1.00 0.00 N ATOM 1017 CA TRP A 87 73.388 46.053 -19.405 1.00 0.00 C ATOM 1018 C TRP A 87 72.185 46.996 -19.495 1.00 0.00 C ATOM 1019 O TRP A 87 72.385 48.197 -19.365 1.00 0.00 O ATOM 1020 CB TRP A 87 73.745 45.516 -20.785 1.00 0.00 C ATOM 1021 CG TRP A 87 73.799 46.535 -21.872 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.787 47.430 -22.082 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.860 46.705 -22.972 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.538 48.117 -23.256 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.381 47.687 -23.862 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.669 46.058 -23.351 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.798 47.967 -25.105 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.076 46.337 -24.591 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.629 47.281 -25.473 1.00 0.00 C ATOM 0 H TRP A 87 73.279 44.019 -18.914 1.00 0.00 H new ATOM 0 HA TRP A 87 74.218 46.638 -19.009 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.715 45.022 -20.725 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.016 44.754 -21.060 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.638 47.585 -21.435 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.139 48.853 -23.627 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.210 45.343 -22.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.239 48.697 -25.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.174 45.815 -24.874 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.159 47.477 -26.425 1.00 0.00 H new ATOM 1040 N GLU A 88 70.954 46.498 -19.643 1.00 0.00 N ATOM 1041 CA GLU A 88 69.746 47.323 -19.680 1.00 0.00 C ATOM 1042 C GLU A 88 69.597 48.205 -18.428 1.00 0.00 C ATOM 1043 O GLU A 88 69.425 49.416 -18.560 1.00 0.00 O ATOM 1044 CB GLU A 88 68.497 46.444 -19.829 1.00 0.00 C ATOM 1045 CG GLU A 88 68.208 45.947 -21.248 1.00 0.00 C ATOM 1046 CD GLU A 88 66.868 45.178 -21.251 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.789 44.059 -20.685 1.00 0.00 O ATOM 1048 OE2 GLU A 88 65.863 45.715 -21.781 1.00 0.00 O ATOM 0 H GLU A 88 70.768 45.500 -19.741 1.00 0.00 H new ATOM 0 HA GLU A 88 69.845 47.979 -20.544 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.602 45.579 -19.174 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.633 47.008 -19.477 1.00 0.00 H new ATOM 0 HG2 GLU A 88 68.160 46.789 -21.939 1.00 0.00 H new ATOM 0 HG3 GLU A 88 69.014 45.299 -21.591 1.00 0.00 H new ATOM 1055 N GLU A 89 69.688 47.653 -17.212 1.00 0.00 N ATOM 1056 CA GLU A 89 69.510 48.457 -15.987 1.00 0.00 C ATOM 1057 C GLU A 89 70.679 49.435 -15.748 1.00 0.00 C ATOM 1058 O GLU A 89 70.472 50.636 -15.508 1.00 0.00 O ATOM 1059 CB GLU A 89 69.300 47.541 -14.772 1.00 0.00 C ATOM 1060 CG GLU A 89 68.025 46.687 -14.857 1.00 0.00 C ATOM 1061 CD GLU A 89 66.747 47.539 -14.996 1.00 0.00 C ATOM 1062 OE1 GLU A 89 66.409 48.293 -14.053 1.00 0.00 O ATOM 1063 OE2 GLU A 89 66.069 47.463 -16.052 1.00 0.00 O ATOM 0 H GLU A 89 69.881 46.665 -17.046 1.00 0.00 H new ATOM 0 HA GLU A 89 68.618 49.067 -16.127 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.162 46.882 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.258 48.152 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 89 68.101 46.012 -15.709 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.948 46.066 -13.964 1.00 0.00 H new ATOM 1070 N ARG A 90 71.920 48.947 -15.900 1.00 0.00 N ATOM 1071 CA ARG A 90 73.127 49.791 -15.824 1.00 0.00 C ATOM 1072 C ARG A 90 73.021 50.928 -16.832 1.00 0.00 C ATOM 1073 O ARG A 90 73.263 52.069 -16.475 1.00 0.00 O ATOM 1074 CB ARG A 90 74.401 48.987 -16.117 1.00 0.00 C ATOM 1075 CG ARG A 90 74.655 47.820 -15.158 1.00 0.00 C ATOM 1076 CD ARG A 90 75.413 48.162 -13.874 1.00 0.00 C ATOM 1077 NE ARG A 90 75.646 46.922 -13.103 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.028 46.503 -12.014 1.00 0.00 C ATOM 1079 NH1 ARG A 90 74.188 47.246 -11.348 1.00 0.00 N ATOM 1080 NH2 ARG A 90 75.248 45.297 -11.584 1.00 0.00 N ATOM 0 H ARG A 90 72.117 47.962 -16.078 1.00 0.00 H new ATOM 0 HA ARG A 90 73.192 50.183 -14.809 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.343 48.598 -17.134 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.256 49.662 -16.082 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.694 47.384 -14.884 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.213 47.051 -15.692 1.00 0.00 H new ATOM 0 HD2 ARG A 90 76.363 48.639 -14.114 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.841 48.873 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 90 76.380 46.310 -13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 90 73.985 48.194 -11.664 1.00 0.00 H new ATOM 0 HH12 ARG A 90 73.734 46.879 -10.512 1.00 0.00 H new ATOM 0 HH21 ARG A 90 75.892 44.686 -12.086 1.00 0.00 H new ATOM 0 HH22 ARG A 90 74.777 44.961 -10.744 1.00 0.00 H new ATOM 1094 N LYS A 91 72.583 50.641 -18.059 1.00 0.00 N ATOM 1095 CA LYS A 91 72.396 51.639 -19.127 1.00 0.00 C ATOM 1096 C LYS A 91 71.238 52.610 -18.875 1.00 0.00 C ATOM 1097 O LYS A 91 71.372 53.783 -19.216 1.00 0.00 O ATOM 1098 CB LYS A 91 72.239 50.939 -20.491 1.00 0.00 C ATOM 1099 CG LYS A 91 72.182 51.889 -21.699 1.00 0.00 C ATOM 1100 CD LYS A 91 71.884 51.112 -22.989 1.00 0.00 C ATOM 1101 CE LYS A 91 71.664 52.077 -24.162 1.00 0.00 C ATOM 1102 NZ LYS A 91 71.064 51.376 -25.330 1.00 0.00 N ATOM 0 H LYS A 91 72.342 49.693 -18.349 1.00 0.00 H new ATOM 0 HA LYS A 91 73.297 52.253 -19.132 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.072 50.249 -20.628 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.328 50.340 -20.474 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.413 52.644 -21.538 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.131 52.417 -21.798 1.00 0.00 H new ATOM 0 HD2 LYS A 91 72.712 50.440 -23.214 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.998 50.492 -22.850 1.00 0.00 H new ATOM 0 HE2 LYS A 91 71.011 52.892 -23.849 1.00 0.00 H new ATOM 0 HE3 LYS A 91 72.615 52.524 -24.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 70.927 52.053 -26.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.700 50.614 -25.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 70.146 50.971 -25.057 1.00 0.00 H new ATOM 1116 N LYS A 92 70.145 52.192 -18.225 1.00 0.00 N ATOM 1117 CA LYS A 92 69.122 53.130 -17.717 1.00 0.00 C ATOM 1118 C LYS A 92 69.731 54.126 -16.717 1.00 0.00 C ATOM 1119 O LYS A 92 69.331 55.292 -16.717 1.00 0.00 O ATOM 1120 CB LYS A 92 67.934 52.376 -17.098 1.00 0.00 C ATOM 1121 CG LYS A 92 67.045 51.704 -18.157 1.00 0.00 C ATOM 1122 CD LYS A 92 66.068 50.727 -17.488 1.00 0.00 C ATOM 1123 CE LYS A 92 65.333 49.877 -18.532 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.487 48.842 -17.876 1.00 0.00 N ATOM 0 H LYS A 92 69.941 51.211 -18.036 1.00 0.00 H new ATOM 0 HA LYS A 92 68.745 53.701 -18.566 1.00 0.00 H new ATOM 0 HB2 LYS A 92 68.308 51.619 -16.409 1.00 0.00 H new ATOM 0 HB3 LYS A 92 67.333 53.071 -16.512 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.491 52.462 -18.711 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.665 51.172 -18.878 1.00 0.00 H new ATOM 0 HD2 LYS A 92 66.612 50.077 -16.803 1.00 0.00 H new ATOM 0 HD3 LYS A 92 65.344 51.283 -16.893 1.00 0.00 H new ATOM 0 HE2 LYS A 92 64.711 50.519 -19.156 1.00 0.00 H new ATOM 0 HE3 LYS A 92 66.057 49.397 -19.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 64.289 48.076 -18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 64.989 48.455 -17.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.591 49.271 -17.567 1.00 0.00 H new ATOM 1138 N SER A 93 70.744 53.713 -15.944 1.00 0.00 N ATOM 1139 CA SER A 93 71.586 54.658 -15.173 1.00 0.00 C ATOM 1140 C SER A 93 72.721 55.347 -15.978 1.00 0.00 C ATOM 1141 O SER A 93 73.169 56.428 -15.591 1.00 0.00 O ATOM 1142 CB SER A 93 72.174 53.966 -13.935 1.00 0.00 C ATOM 1143 OG SER A 93 71.134 53.531 -13.070 1.00 0.00 O ATOM 0 H SER A 93 71.006 52.734 -15.831 1.00 0.00 H new ATOM 0 HA SER A 93 70.907 55.460 -14.884 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.781 53.114 -14.241 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.833 54.654 -13.405 1.00 0.00 H new ATOM 0 HG SER A 93 71.523 53.090 -12.286 1.00 0.00 H new ATOM 1149 N GLU A 94 73.197 54.752 -17.078 1.00 0.00 N ATOM 1150 CA GLU A 94 74.452 55.076 -17.785 1.00 0.00 C ATOM 1151 C GLU A 94 74.321 54.882 -19.319 1.00 0.00 C ATOM 1152 O GLU A 94 74.774 53.863 -19.853 1.00 0.00 O ATOM 1153 CB GLU A 94 75.598 54.175 -17.264 1.00 0.00 C ATOM 1154 CG GLU A 94 75.806 54.206 -15.752 1.00 0.00 C ATOM 1155 CD GLU A 94 77.066 53.417 -15.344 1.00 0.00 C ATOM 1156 OE1 GLU A 94 78.199 53.936 -15.514 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.941 52.285 -14.816 1.00 0.00 O ATOM 0 H GLU A 94 72.692 53.988 -17.528 1.00 0.00 H new ATOM 0 HA GLU A 94 74.672 56.125 -17.589 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.398 53.147 -17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.526 54.476 -17.750 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.897 55.239 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.933 53.784 -15.254 1.00 0.00 H new ATOM 1164 N PRO A 95 73.711 55.815 -20.077 1.00 0.00 N ATOM 1165 CA PRO A 95 73.312 55.594 -21.480 1.00 0.00 C ATOM 1166 C PRO A 95 74.446 55.267 -22.482 1.00 0.00 C ATOM 1167 O PRO A 95 74.168 54.900 -23.625 1.00 0.00 O ATOM 1168 CB PRO A 95 72.519 56.848 -21.880 1.00 0.00 C ATOM 1169 CG PRO A 95 72.942 57.907 -20.863 1.00 0.00 C ATOM 1170 CD PRO A 95 73.186 57.084 -19.602 1.00 0.00 C ATOM 0 HA PRO A 95 72.722 54.679 -21.533 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.754 57.159 -22.898 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.445 56.667 -21.842 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.840 58.437 -21.180 1.00 0.00 H new ATOM 0 HG3 PRO A 95 72.165 58.657 -20.713 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.894 57.580 -18.938 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.264 56.943 -19.038 1.00 0.00 H new ATOM 1178 N TRP A 96 75.712 55.354 -22.062 1.00 0.00 N ATOM 1179 CA TRP A 96 76.922 55.011 -22.823 1.00 0.00 C ATOM 1180 C TRP A 96 77.348 53.522 -22.752 1.00 0.00 C ATOM 1181 O TRP A 96 78.331 53.146 -23.396 1.00 0.00 O ATOM 1182 CB TRP A 96 78.049 55.938 -22.338 1.00 0.00 C ATOM 1183 CG TRP A 96 78.289 55.932 -20.856 1.00 0.00 C ATOM 1184 CD1 TRP A 96 79.087 55.069 -20.185 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.711 56.811 -19.838 1.00 0.00 C ATOM 1186 NE1 TRP A 96 79.047 55.354 -18.833 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.213 56.418 -18.561 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.805 57.895 -19.864 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.833 57.059 -17.373 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.421 58.550 -18.677 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.927 58.130 -17.433 1.00 0.00 C ATOM 0 H TRP A 96 75.935 55.686 -21.124 1.00 0.00 H new ATOM 0 HA TRP A 96 76.700 55.160 -23.880 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.973 55.653 -22.841 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.818 56.957 -22.648 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.667 54.278 -20.637 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.570 54.840 -18.124 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.400 58.227 -20.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.232 56.733 -16.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.733 59.381 -18.722 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.619 58.630 -16.527 1.00 0.00 H new ATOM 1202 N LEU A 97 76.653 52.666 -21.983 1.00 0.00 N ATOM 1203 CA LEU A 97 77.031 51.267 -21.735 1.00 0.00 C ATOM 1204 C LEU A 97 77.201 50.417 -23.023 1.00 0.00 C ATOM 1205 O LEU A 97 76.316 50.393 -23.884 1.00 0.00 O ATOM 1206 CB LEU A 97 75.949 50.640 -20.829 1.00 0.00 C ATOM 1207 CG LEU A 97 76.411 49.722 -19.686 1.00 0.00 C ATOM 1208 CD1 LEU A 97 77.657 48.869 -19.937 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.692 50.530 -18.433 1.00 0.00 C ATOM 0 H LEU A 97 75.793 52.936 -21.506 1.00 0.00 H new ATOM 0 HA LEU A 97 78.012 51.269 -21.259 1.00 0.00 H new ATOM 0 HB2 LEU A 97 75.368 51.452 -20.392 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.272 50.069 -21.464 1.00 0.00 H new ATOM 0 HG LEU A 97 75.571 49.034 -19.588 1.00 0.00 H new ATOM 0 HD11 LEU A 97 77.872 48.270 -19.052 1.00 0.00 H new ATOM 0 HD12 LEU A 97 77.482 48.210 -20.787 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.506 49.519 -20.150 1.00 0.00 H new ATOM 0 HD21 LEU A 97 77.018 49.863 -17.635 1.00 0.00 H new ATOM 0 HD22 LEU A 97 77.475 51.259 -18.639 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.785 51.049 -18.124 1.00 0.00 H new ATOM 1221 N ARG A 98 78.296 49.647 -23.118 1.00 0.00 N ATOM 1222 CA ARG A 98 78.595 48.717 -24.234 1.00 0.00 C ATOM 1223 C ARG A 98 78.018 47.307 -24.013 1.00 0.00 C ATOM 1224 O ARG A 98 77.866 46.867 -22.875 1.00 0.00 O ATOM 1225 CB ARG A 98 80.117 48.656 -24.464 1.00 0.00 C ATOM 1226 CG ARG A 98 80.721 50.019 -24.846 1.00 0.00 C ATOM 1227 CD ARG A 98 82.233 49.903 -25.067 1.00 0.00 C ATOM 1228 NE ARG A 98 82.831 51.216 -25.384 1.00 0.00 N ATOM 1229 CZ ARG A 98 84.116 51.482 -25.550 1.00 0.00 C ATOM 1230 NH1 ARG A 98 85.033 50.560 -25.458 1.00 0.00 N ATOM 1231 NH2 ARG A 98 84.509 52.695 -25.814 1.00 0.00 N ATOM 0 H ARG A 98 79.023 49.649 -22.403 1.00 0.00 H new ATOM 0 HA ARG A 98 78.104 49.109 -25.125 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.602 48.291 -23.559 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.331 47.935 -25.253 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.244 50.392 -25.753 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.519 50.745 -24.058 1.00 0.00 H new ATOM 0 HD2 ARG A 98 82.703 49.493 -24.173 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.431 49.205 -25.880 1.00 0.00 H new ATOM 0 HE ARG A 98 82.186 51.999 -25.485 1.00 0.00 H new ATOM 0 HH11 ARG A 98 84.769 49.597 -25.252 1.00 0.00 H new ATOM 0 HH12 ARG A 98 86.015 50.802 -25.592 1.00 0.00 H new ATOM 0 HH21 ARG A 98 83.824 53.447 -25.894 1.00 0.00 H new ATOM 0 HH22 ARG A 98 85.501 52.893 -25.941 1.00 0.00 H new ATOM 1245 N LEU A 99 77.717 46.593 -25.102 1.00 0.00 N ATOM 1246 CA LEU A 99 77.045 45.282 -25.110 1.00 0.00 C ATOM 1247 C LEU A 99 77.781 44.304 -26.047 1.00 0.00 C ATOM 1248 O LEU A 99 78.032 44.631 -27.210 1.00 0.00 O ATOM 1249 CB LEU A 99 75.586 45.532 -25.545 1.00 0.00 C ATOM 1250 CG LEU A 99 74.540 44.402 -25.444 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.719 43.389 -26.579 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.480 43.737 -24.071 1.00 0.00 C ATOM 0 H LEU A 99 77.942 46.922 -26.041 1.00 0.00 H new ATOM 0 HA LEU A 99 77.058 44.817 -24.124 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.213 46.371 -24.957 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.610 45.857 -26.585 1.00 0.00 H new ATOM 0 HG LEU A 99 73.564 44.873 -25.564 1.00 0.00 H new ATOM 0 HD11 LEU A 99 73.970 42.602 -26.486 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.599 43.892 -27.538 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.715 42.950 -26.521 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.722 42.954 -24.079 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.451 43.300 -23.835 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.225 44.482 -23.317 1.00 0.00 H new ATOM 1264 N ASP A 100 78.106 43.102 -25.560 1.00 0.00 N ATOM 1265 CA ASP A 100 78.707 42.017 -26.357 1.00 0.00 C ATOM 1266 C ASP A 100 78.214 40.640 -25.869 1.00 0.00 C ATOM 1267 O ASP A 100 78.151 40.398 -24.661 1.00 0.00 O ATOM 1268 CB ASP A 100 80.240 42.113 -26.300 1.00 0.00 C ATOM 1269 CG ASP A 100 80.913 41.299 -27.421 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.749 40.057 -27.458 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.603 41.908 -28.275 1.00 0.00 O ATOM 0 H ASP A 100 77.958 42.847 -24.584 1.00 0.00 H new ATOM 0 HA ASP A 100 78.394 42.127 -27.395 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.541 43.158 -26.380 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.590 41.754 -25.332 1.00 0.00 H new ATOM 1276 N MET A 101 77.840 39.748 -26.798 1.00 0.00 N ATOM 1277 CA MET A 101 77.272 38.418 -26.506 1.00 0.00 C ATOM 1278 C MET A 101 77.965 37.264 -27.263 1.00 0.00 C ATOM 1279 O MET A 101 77.444 36.145 -27.286 1.00 0.00 O ATOM 1280 CB MET A 101 75.757 38.435 -26.776 1.00 0.00 C ATOM 1281 CG MET A 101 74.996 39.416 -25.878 1.00 0.00 C ATOM 1282 SD MET A 101 73.220 39.439 -26.225 1.00 0.00 S ATOM 1283 CE MET A 101 72.672 40.672 -25.020 1.00 0.00 C ATOM 0 H MET A 101 77.925 39.933 -27.797 1.00 0.00 H new ATOM 0 HA MET A 101 77.456 38.216 -25.451 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.583 38.698 -27.820 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.357 37.432 -26.629 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.155 39.146 -24.834 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.402 40.418 -26.014 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.764 40.322 -24.528 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.453 40.824 -24.275 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.468 41.614 -25.530 1.00 0.00 H new ATOM 1293 N SER A 102 79.126 37.504 -27.883 1.00 0.00 N ATOM 1294 CA SER A 102 79.926 36.447 -28.526 1.00 0.00 C ATOM 1295 C SER A 102 80.490 35.470 -27.485 1.00 0.00 C ATOM 1296 O SER A 102 80.714 35.843 -26.335 1.00 0.00 O ATOM 1297 CB SER A 102 81.062 37.052 -29.361 1.00 0.00 C ATOM 1298 OG SER A 102 80.531 37.794 -30.452 1.00 0.00 O ATOM 0 H SER A 102 79.540 38.434 -27.955 1.00 0.00 H new ATOM 0 HA SER A 102 79.266 35.892 -29.192 1.00 0.00 H new ATOM 0 HB2 SER A 102 81.676 37.700 -28.736 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.711 36.259 -29.733 1.00 0.00 H new ATOM 0 HG SER A 102 81.266 38.176 -30.976 1.00 0.00 H new ATOM 1304 N ASP A 103 80.758 34.219 -27.872 1.00 0.00 N ATOM 1305 CA ASP A 103 81.093 33.134 -26.929 1.00 0.00 C ATOM 1306 C ASP A 103 82.284 33.464 -26.008 1.00 0.00 C ATOM 1307 O ASP A 103 82.248 33.162 -24.814 1.00 0.00 O ATOM 1308 CB ASP A 103 81.375 31.845 -27.712 1.00 0.00 C ATOM 1309 CG ASP A 103 80.140 31.363 -28.489 1.00 0.00 C ATOM 1310 OD1 ASP A 103 79.279 30.669 -27.895 1.00 0.00 O ATOM 1311 OD2 ASP A 103 80.025 31.677 -29.699 1.00 0.00 O ATOM 0 H ASP A 103 80.750 33.924 -28.848 1.00 0.00 H new ATOM 0 HA ASP A 103 80.230 33.005 -26.276 1.00 0.00 H new ATOM 0 HB2 ASP A 103 82.197 32.015 -28.407 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.697 31.065 -27.022 1.00 0.00 H new ATOM 1316 N LYS A 104 83.291 34.184 -26.526 1.00 0.00 N ATOM 1317 CA LYS A 104 84.455 34.649 -25.753 1.00 0.00 C ATOM 1318 C LYS A 104 84.082 35.592 -24.601 1.00 0.00 C ATOM 1319 O LYS A 104 84.699 35.507 -23.543 1.00 0.00 O ATOM 1320 CB LYS A 104 85.490 35.289 -26.695 1.00 0.00 C ATOM 1321 CG LYS A 104 86.107 34.250 -27.650 1.00 0.00 C ATOM 1322 CD LYS A 104 87.267 34.805 -28.491 1.00 0.00 C ATOM 1323 CE LYS A 104 86.814 35.892 -29.481 1.00 0.00 C ATOM 1324 NZ LYS A 104 87.941 36.354 -30.340 1.00 0.00 N ATOM 0 H LYS A 104 83.321 34.464 -27.506 1.00 0.00 H new ATOM 0 HA LYS A 104 84.898 33.773 -25.279 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.015 36.080 -27.275 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.279 35.756 -26.106 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.464 33.400 -27.068 1.00 0.00 H new ATOM 0 HG3 LYS A 104 85.331 33.876 -28.318 1.00 0.00 H new ATOM 0 HD2 LYS A 104 88.027 35.217 -27.827 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.734 33.989 -29.042 1.00 0.00 H new ATOM 0 HE2 LYS A 104 86.013 35.502 -30.109 1.00 0.00 H new ATOM 0 HE3 LYS A 104 86.404 36.739 -28.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.600 37.086 -30.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 88.695 36.748 -29.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 88.315 35.550 -30.883 1.00 0.00 H new ATOM 1338 N ALA A 105 83.040 36.417 -24.745 1.00 0.00 N ATOM 1339 CA ALA A 105 82.520 37.248 -23.651 1.00 0.00 C ATOM 1340 C ALA A 105 81.983 36.391 -22.495 1.00 0.00 C ATOM 1341 O ALA A 105 82.256 36.672 -21.329 1.00 0.00 O ATOM 1342 CB ALA A 105 81.460 38.216 -24.197 1.00 0.00 C ATOM 0 H ALA A 105 82.532 36.529 -25.623 1.00 0.00 H new ATOM 0 HA ALA A 105 83.338 37.837 -23.236 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.076 38.831 -23.383 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.909 38.857 -24.956 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.642 37.648 -24.640 1.00 0.00 H new ATOM 1348 N ILE A 106 81.292 35.296 -22.822 1.00 0.00 N ATOM 1349 CA ILE A 106 80.709 34.374 -21.840 1.00 0.00 C ATOM 1350 C ILE A 106 81.826 33.574 -21.162 1.00 0.00 C ATOM 1351 O ILE A 106 81.868 33.532 -19.936 1.00 0.00 O ATOM 1352 CB ILE A 106 79.617 33.504 -22.508 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.306 34.295 -22.726 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.266 32.261 -21.668 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.401 35.540 -23.619 1.00 0.00 C ATOM 0 H ILE A 106 81.119 35.020 -23.789 1.00 0.00 H new ATOM 0 HA ILE A 106 80.202 34.924 -21.047 1.00 0.00 H new ATOM 0 HB ILE A 106 80.041 33.199 -23.465 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.567 33.620 -23.158 1.00 0.00 H new ATOM 0 HG13 ILE A 106 77.926 34.602 -21.752 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.496 31.683 -22.178 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.156 31.645 -21.539 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.897 32.574 -20.691 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.420 36.008 -23.696 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.107 36.247 -23.184 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.743 35.250 -24.612 1.00 0.00 H new ATOM 1367 N PHE A 107 82.781 33.036 -21.928 1.00 0.00 N ATOM 1368 CA PHE A 107 83.962 32.345 -21.384 1.00 0.00 C ATOM 1369 C PHE A 107 84.760 33.220 -20.402 1.00 0.00 C ATOM 1370 O PHE A 107 85.145 32.766 -19.325 1.00 0.00 O ATOM 1371 CB PHE A 107 84.922 31.944 -22.517 1.00 0.00 C ATOM 1372 CG PHE A 107 84.412 31.064 -23.641 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.296 30.216 -23.489 1.00 0.00 C ATOM 1374 CD2 PHE A 107 85.112 31.081 -24.861 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.888 29.392 -24.553 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.703 30.261 -25.927 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.591 29.412 -25.771 1.00 0.00 C ATOM 0 H PHE A 107 82.759 33.066 -22.947 1.00 0.00 H new ATOM 0 HA PHE A 107 83.579 31.471 -20.858 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.302 32.862 -22.965 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.772 31.436 -22.062 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.754 30.199 -22.555 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.969 31.728 -24.979 1.00 0.00 H new ATOM 0 HE1 PHE A 107 82.033 28.743 -24.435 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.241 30.282 -26.863 1.00 0.00 H new ATOM 0 HZ PHE A 107 83.278 28.776 -26.586 1.00 0.00 H new ATOM 1387 N ARG A 108 85.030 34.478 -20.779 1.00 0.00 N ATOM 1388 CA ARG A 108 85.912 35.390 -20.043 1.00 0.00 C ATOM 1389 C ARG A 108 85.229 35.986 -18.805 1.00 0.00 C ATOM 1390 O ARG A 108 85.872 36.108 -17.762 1.00 0.00 O ATOM 1391 CB ARG A 108 86.435 36.413 -21.070 1.00 0.00 C ATOM 1392 CG ARG A 108 87.714 37.154 -20.668 1.00 0.00 C ATOM 1393 CD ARG A 108 87.505 38.361 -19.743 1.00 0.00 C ATOM 1394 NE ARG A 108 88.781 39.062 -19.497 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.968 40.135 -18.747 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.988 40.722 -18.116 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.159 40.645 -18.612 1.00 0.00 N ATOM 0 H ARG A 108 84.633 34.896 -21.620 1.00 0.00 H new ATOM 0 HA ARG A 108 86.765 34.871 -19.607 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.616 35.896 -22.012 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.652 37.149 -21.255 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.383 36.449 -20.174 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.219 37.493 -21.573 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.788 39.049 -20.192 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.079 38.029 -18.796 1.00 0.00 H new ATOM 0 HE ARG A 108 89.607 38.677 -19.955 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.040 40.355 -18.192 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.171 41.548 -17.546 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.954 40.217 -19.086 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.297 41.473 -18.032 1.00 0.00 H new ATOM 1411 N ARG A 109 83.924 36.290 -18.880 1.00 0.00 N ATOM 1412 CA ARG A 109 83.121 36.761 -17.731 1.00 0.00 C ATOM 1413 C ARG A 109 82.761 35.627 -16.756 1.00 0.00 C ATOM 1414 O ARG A 109 82.740 35.851 -15.546 1.00 0.00 O ATOM 1415 CB ARG A 109 81.877 37.504 -18.258 1.00 0.00 C ATOM 1416 CG ARG A 109 81.175 38.344 -17.177 1.00 0.00 C ATOM 1417 CD ARG A 109 80.077 39.224 -17.800 1.00 0.00 C ATOM 1418 NE ARG A 109 79.450 40.131 -16.814 1.00 0.00 N ATOM 1419 CZ ARG A 109 79.915 41.292 -16.379 1.00 0.00 C ATOM 1420 NH1 ARG A 109 81.092 41.744 -16.715 1.00 0.00 N ATOM 1421 NH2 ARG A 109 79.200 42.043 -15.595 1.00 0.00 N ATOM 0 H ARG A 109 83.388 36.217 -19.745 1.00 0.00 H new ATOM 0 HA ARG A 109 83.723 37.455 -17.145 1.00 0.00 H new ATOM 0 HB2 ARG A 109 82.171 38.155 -19.082 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.171 36.778 -18.662 1.00 0.00 H new ATOM 0 HG2 ARG A 109 80.738 37.687 -16.425 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.905 38.972 -16.666 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.505 39.814 -18.611 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.311 38.586 -18.240 1.00 0.00 H new ATOM 0 HE ARG A 109 78.557 39.827 -16.425 1.00 0.00 H new ATOM 0 HH11 ARG A 109 81.690 41.198 -17.334 1.00 0.00 H new ATOM 0 HH12 ARG A 109 81.414 42.644 -16.358 1.00 0.00 H new ATOM 0 HH21 ARG A 109 78.269 41.740 -15.308 1.00 0.00 H new ATOM 0 HH22 ARG A 109 79.570 42.935 -15.267 1.00 0.00 H new ATOM 1435 N TYR A 110 82.531 34.416 -17.275 1.00 0.00 N ATOM 1436 CA TYR A 110 82.082 33.236 -16.525 1.00 0.00 C ATOM 1437 C TYR A 110 82.964 32.006 -16.852 1.00 0.00 C ATOM 1438 O TYR A 110 82.648 31.240 -17.767 1.00 0.00 O ATOM 1439 CB TYR A 110 80.593 32.993 -16.829 1.00 0.00 C ATOM 1440 CG TYR A 110 79.704 34.214 -16.678 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.554 34.830 -15.422 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.054 34.747 -17.807 1.00 0.00 C ATOM 1443 CE1 TYR A 110 78.750 35.983 -15.301 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.237 35.889 -17.684 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.080 36.508 -16.425 1.00 0.00 C ATOM 1446 OH TYR A 110 77.293 37.612 -16.293 1.00 0.00 O ATOM 0 H TYR A 110 82.657 34.223 -18.268 1.00 0.00 H new ATOM 0 HA TYR A 110 82.189 33.409 -15.454 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.501 32.618 -17.849 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.225 32.209 -16.167 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.052 34.422 -14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.182 34.279 -18.772 1.00 0.00 H new ATOM 0 HE1 TYR A 110 78.647 36.467 -14.341 1.00 0.00 H new ATOM 0 HE2 TYR A 110 77.732 36.289 -18.551 1.00 0.00 H new ATOM 0 HH TYR A 110 76.906 37.844 -17.163 1.00 0.00 H new ATOM 1456 N PRO A 111 84.080 31.785 -16.124 1.00 0.00 N ATOM 1457 CA PRO A 111 85.107 30.806 -16.508 1.00 0.00 C ATOM 1458 C PRO A 111 84.651 29.339 -16.438 1.00 0.00 C ATOM 1459 O PRO A 111 85.242 28.480 -17.096 1.00 0.00 O ATOM 1460 CB PRO A 111 86.299 31.085 -15.584 1.00 0.00 C ATOM 1461 CG PRO A 111 85.659 31.719 -14.350 1.00 0.00 C ATOM 1462 CD PRO A 111 84.510 32.527 -14.947 1.00 0.00 C ATOM 0 HA PRO A 111 85.360 30.929 -17.561 1.00 0.00 H new ATOM 0 HB2 PRO A 111 86.834 30.169 -15.332 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.019 31.756 -16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.302 30.966 -13.647 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.362 32.353 -13.809 1.00 0.00 H new ATOM 0 HD2 PRO A 111 83.694 32.635 -14.232 1.00 0.00 H new ATOM 0 HD3 PRO A 111 84.835 33.532 -15.215 1.00 0.00 H new ATOM 1470 N HIS A 112 83.583 29.036 -15.690 1.00 0.00 N ATOM 1471 CA HIS A 112 82.969 27.700 -15.644 1.00 0.00 C ATOM 1472 C HIS A 112 82.167 27.360 -16.915 1.00 0.00 C ATOM 1473 O HIS A 112 81.971 26.182 -17.225 1.00 0.00 O ATOM 1474 CB HIS A 112 82.074 27.616 -14.402 1.00 0.00 C ATOM 1475 CG HIS A 112 80.775 28.378 -14.521 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.636 29.723 -14.885 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.536 27.829 -14.362 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.311 29.952 -14.923 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.637 28.838 -14.608 1.00 0.00 N ATOM 0 H HIS A 112 83.115 29.718 -15.093 1.00 0.00 H new ATOM 0 HA HIS A 112 83.770 26.962 -15.590 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.850 26.569 -14.200 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.627 27.996 -13.543 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.308 26.807 -14.096 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.855 30.899 -15.172 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.622 28.753 -14.559 1.00 0.00 H new ATOM 1487 N LEU A 113 81.726 28.379 -17.661 1.00 0.00 N ATOM 1488 CA LEU A 113 80.915 28.284 -18.870 1.00 0.00 C ATOM 1489 C LEU A 113 81.748 28.092 -20.164 1.00 0.00 C ATOM 1490 O LEU A 113 81.189 28.077 -21.265 1.00 0.00 O ATOM 1491 CB LEU A 113 79.999 29.533 -18.895 1.00 0.00 C ATOM 1492 CG LEU A 113 78.499 29.274 -19.093 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.230 28.509 -20.386 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.865 28.528 -17.926 1.00 0.00 C ATOM 0 H LEU A 113 81.941 29.346 -17.419 1.00 0.00 H new ATOM 0 HA LEU A 113 80.308 27.379 -18.844 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.132 30.073 -17.958 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.341 30.192 -19.694 1.00 0.00 H new ATOM 0 HG LEU A 113 78.038 30.260 -19.150 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.158 28.343 -20.494 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.595 29.088 -21.234 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.745 27.549 -20.354 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.804 28.375 -18.125 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.354 27.562 -17.803 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.982 29.113 -17.014 1.00 0.00 H new ATOM 1506 N ARG A 114 83.076 27.932 -20.043 1.00 0.00 N ATOM 1507 CA ARG A 114 83.996 27.579 -21.137 1.00 0.00 C ATOM 1508 C ARG A 114 84.122 26.057 -21.295 1.00 0.00 C ATOM 1509 O ARG A 114 84.726 25.401 -20.411 1.00 0.00 O ATOM 1510 CB ARG A 114 85.345 28.295 -20.934 1.00 0.00 C ATOM 1511 CG ARG A 114 86.325 28.093 -22.110 1.00 0.00 C ATOM 1512 CD ARG A 114 87.617 27.361 -21.713 1.00 0.00 C ATOM 1513 NE ARG A 114 87.333 26.026 -21.164 1.00 0.00 N ATOM 1514 CZ ARG A 114 88.152 25.013 -20.990 1.00 0.00 C ATOM 1515 NH1 ARG A 114 89.417 25.066 -21.294 1.00 0.00 N ATOM 1516 NH2 ARG A 114 87.679 23.910 -20.493 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.644 25.518 -22.320 1.00 0.00 O ATOM 0 H ARG A 114 83.555 28.049 -19.150 1.00 0.00 H new ATOM 0 HA ARG A 114 83.588 27.931 -22.084 1.00 0.00 H new ATOM 0 HB2 ARG A 114 85.166 29.362 -20.798 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.808 27.930 -20.017 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.824 27.529 -22.897 1.00 0.00 H new ATOM 0 HG3 ARG A 114 86.582 29.066 -22.529 1.00 0.00 H new ATOM 0 HD2 ARG A 114 88.266 27.267 -22.584 1.00 0.00 H new ATOM 0 HD3 ARG A 114 88.159 27.952 -20.974 1.00 0.00 H new ATOM 0 HE ARG A 114 86.367 25.864 -20.879 1.00 0.00 H new ATOM 0 HH11 ARG A 114 89.812 25.921 -21.686 1.00 0.00 H new ATOM 0 HH12 ARG A 114 90.013 24.253 -21.140 1.00 0.00 H new ATOM 0 HH21 ARG A 114 86.691 23.844 -20.247 1.00 0.00 H new ATOM 0 HH22 ARG A 114 88.295 23.110 -20.349 1.00 0.00 H new