USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 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 28 SER OG : rot -41:sc= -5.84! USER MOD Set 1.2: A 29 THR OG1 : rot 105:sc= 0.962 USER MOD Single : A 18 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 35 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.057) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc= -1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.301 K(o=0.3,f=-0.93) USER MOD Single : A 65 ASN : amide:sc= -3.16! C(o=-3.2!,f=-2.9!) USER MOD Single : A 68 THR OG1 : rot 65:sc= -0.419! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -15! C(o=-15!,f=-18!) USER MOD Single : A 82 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.2!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.969 12.607 2.356 1.00 0.00 N ATOM 201 CA ARG A 14 0.358 11.477 1.677 1.00 0.00 C ATOM 202 C ARG A 14 1.137 10.195 1.974 1.00 0.00 C ATOM 203 O ARG A 14 0.555 9.192 2.386 1.00 0.00 O ATOM 204 CB ARG A 14 0.316 11.702 0.164 1.00 0.00 C ATOM 205 CG ARG A 14 -0.843 10.931 -0.472 1.00 0.00 C ATOM 206 CD ARG A 14 -1.242 11.550 -1.813 1.00 0.00 C ATOM 207 NE ARG A 14 -2.635 11.177 -2.148 1.00 0.00 N ATOM 208 CZ ARG A 14 -3.276 11.572 -3.268 1.00 0.00 C ATOM 209 NH1 ARG A 14 -2.653 12.358 -4.173 1.00 0.00 N ATOM 210 NH2 ARG A 14 -4.521 11.180 -3.466 1.00 0.00 N ATOM 0 HA ARG A 14 -0.663 11.379 2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.209 12.766 -0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.258 11.382 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.555 9.890 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.699 10.932 0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.149 12.635 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.566 11.207 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.142 10.584 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.691 12.657 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.144 12.652 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.985 10.587 -2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.019 11.470 -4.307 1.00 0.00 H new ATOM 223 N ALA A 15 2.441 10.268 1.752 1.00 0.00 N ATOM 224 CA ALA A 15 3.306 9.125 1.991 1.00 0.00 C ATOM 225 C ALA A 15 2.899 8.447 3.301 1.00 0.00 C ATOM 226 O ALA A 15 2.794 7.223 3.364 1.00 0.00 O ATOM 227 CB ALA A 15 4.766 9.582 2.000 1.00 0.00 C ATOM 0 H ALA A 15 2.920 11.101 1.409 1.00 0.00 H new ATOM 0 HA ALA A 15 3.199 8.390 1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.415 8.724 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.013 10.029 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.912 10.319 2.790 1.00 0.00 H new ATOM 233 N GLU A 16 2.681 9.272 4.314 1.00 0.00 N ATOM 234 CA GLU A 16 2.287 8.768 5.619 1.00 0.00 C ATOM 235 C GLU A 16 0.815 8.350 5.605 1.00 0.00 C ATOM 236 O GLU A 16 0.445 7.347 6.212 1.00 0.00 O ATOM 237 CB GLU A 16 2.552 9.807 6.710 1.00 0.00 C ATOM 238 CG GLU A 16 3.727 9.385 7.595 1.00 0.00 C ATOM 239 CD GLU A 16 3.442 8.048 8.284 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.303 7.156 8.285 1.00 0.00 O ATOM 241 OE2 GLU A 16 2.278 7.955 8.832 1.00 0.00 O ATOM 0 H GLU A 16 2.770 10.287 4.258 1.00 0.00 H new ATOM 0 HA GLU A 16 2.891 7.889 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.765 10.773 6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.659 9.934 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.630 9.302 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.915 10.152 8.346 1.00 0.00 H new ATOM 249 N ARG A 17 0.016 9.141 4.904 1.00 0.00 N ATOM 250 CA ARG A 17 -1.408 8.866 4.803 1.00 0.00 C ATOM 251 C ARG A 17 -1.640 7.512 4.131 1.00 0.00 C ATOM 252 O ARG A 17 -2.588 6.803 4.465 1.00 0.00 O ATOM 253 CB ARG A 17 -2.124 9.955 4.002 1.00 0.00 C ATOM 254 CG ARG A 17 -3.461 10.321 4.648 1.00 0.00 C ATOM 255 CD ARG A 17 -4.487 9.203 4.455 1.00 0.00 C ATOM 256 NE ARG A 17 -5.846 9.778 4.331 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.653 10.046 5.379 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.244 9.794 6.641 1.00 0.00 N ATOM 259 NH2 ARG A 17 -7.847 10.560 5.152 1.00 0.00 N ATOM 0 H ARG A 17 0.327 9.972 4.401 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.815 8.848 5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.492 10.841 3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.291 9.610 2.982 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.316 10.507 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.839 11.246 4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.245 8.626 3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.450 8.515 5.299 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.194 9.984 3.395 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.319 9.398 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.860 10.000 7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.148 10.749 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.469 10.768 5.933 1.00 0.00 H new ATOM 272 N THR A 18 -0.758 7.193 3.195 1.00 0.00 N ATOM 273 CA THR A 18 -0.855 5.936 2.472 1.00 0.00 C ATOM 274 C THR A 18 -0.170 4.815 3.257 1.00 0.00 C ATOM 275 O THR A 18 -0.704 3.712 3.365 1.00 0.00 O ATOM 276 CB THR A 18 -0.267 6.147 1.075 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.286 6.854 0.373 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.119 4.837 0.299 1.00 0.00 C ATOM 0 H THR A 18 0.027 7.783 2.921 1.00 0.00 H new ATOM 0 HA THR A 18 -1.893 5.624 2.359 1.00 0.00 H new ATOM 0 HB THR A 18 0.706 6.631 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.932 7.173 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.302 5.043 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.543 4.164 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.097 4.369 0.184 1.00 0.00 H new ATOM 286 N ALA A 19 1.002 5.137 3.785 1.00 0.00 N ATOM 287 CA ALA A 19 1.765 4.171 4.557 1.00 0.00 C ATOM 288 C ALA A 19 1.015 3.852 5.851 1.00 0.00 C ATOM 289 O ALA A 19 1.087 2.732 6.355 1.00 0.00 O ATOM 290 CB ALA A 19 3.169 4.721 4.816 1.00 0.00 C ATOM 0 H ALA A 19 1.442 6.053 3.693 1.00 0.00 H new ATOM 0 HA ALA A 19 1.877 3.239 4.004 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.742 3.997 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.670 4.903 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.097 5.655 5.373 1.00 0.00 H new ATOM 296 N GLU A 20 0.312 4.857 6.354 1.00 0.00 N ATOM 297 CA GLU A 20 -0.450 4.697 7.580 1.00 0.00 C ATOM 298 C GLU A 20 -1.632 3.752 7.351 1.00 0.00 C ATOM 299 O GLU A 20 -1.788 2.764 8.067 1.00 0.00 O ATOM 300 CB GLU A 20 -0.926 6.051 8.110 1.00 0.00 C ATOM 301 CG GLU A 20 -1.767 5.880 9.377 1.00 0.00 C ATOM 302 CD GLU A 20 -1.529 7.033 10.353 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.164 8.091 10.230 1.00 0.00 O ATOM 304 OE2 GLU A 20 -0.648 6.802 11.266 1.00 0.00 O ATOM 0 H GLU A 20 0.255 5.785 5.934 1.00 0.00 H new ATOM 0 HA GLU A 20 0.201 4.257 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.065 6.685 8.324 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.514 6.559 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.824 5.835 9.113 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.518 4.934 9.858 1.00 0.00 H new ATOM 312 N LEU A 21 -2.433 4.089 6.351 1.00 0.00 N ATOM 313 CA LEU A 21 -3.595 3.283 6.020 1.00 0.00 C ATOM 314 C LEU A 21 -3.145 1.859 5.686 1.00 0.00 C ATOM 315 O LEU A 21 -3.884 0.902 5.911 1.00 0.00 O ATOM 316 CB LEU A 21 -4.408 3.947 4.906 1.00 0.00 C ATOM 317 CG LEU A 21 -5.776 4.499 5.313 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.901 5.979 4.946 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.906 3.662 4.711 1.00 0.00 C ATOM 0 H LEU A 21 -2.300 4.909 5.759 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.266 3.214 6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.818 4.763 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.554 3.220 4.107 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.865 4.427 6.397 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.882 6.347 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.127 6.548 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.783 6.098 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.867 4.076 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.832 3.679 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.825 2.634 5.064 1.00 0.00 H new ATOM 331 N VAL A 22 -1.934 1.764 5.156 1.00 0.00 N ATOM 332 CA VAL A 22 -1.376 0.474 4.790 1.00 0.00 C ATOM 333 C VAL A 22 -1.311 -0.419 6.030 1.00 0.00 C ATOM 334 O VAL A 22 -2.145 -1.306 6.206 1.00 0.00 O ATOM 335 CB VAL A 22 -0.016 0.664 4.117 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.859 -0.580 4.288 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.180 1.019 2.638 1.00 0.00 C ATOM 0 H VAL A 22 -1.324 2.560 4.971 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.015 -0.026 4.063 1.00 0.00 H new ATOM 0 HB VAL A 22 0.486 1.498 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.820 -0.419 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.018 -0.770 5.349 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.363 -1.439 3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.802 1.149 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.713 0.216 2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.747 1.946 2.547 1.00 0.00 H new ATOM 347 N ARG A 23 -0.311 -0.155 6.858 1.00 0.00 N ATOM 348 CA ARG A 23 -0.125 -0.923 8.077 1.00 0.00 C ATOM 349 C ARG A 23 -1.461 -1.100 8.802 1.00 0.00 C ATOM 350 O ARG A 23 -1.648 -2.066 9.540 1.00 0.00 O ATOM 351 CB ARG A 23 0.869 -0.236 9.015 1.00 0.00 C ATOM 352 CG ARG A 23 0.417 1.188 9.346 1.00 0.00 C ATOM 353 CD ARG A 23 1.431 1.888 10.253 1.00 0.00 C ATOM 354 NE ARG A 23 0.787 2.277 11.527 1.00 0.00 N ATOM 355 CZ ARG A 23 0.693 1.469 12.605 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.202 0.219 12.571 1.00 0.00 N ATOM 357 NH2 ARG A 23 0.096 1.919 13.692 1.00 0.00 N ATOM 0 H ARG A 23 0.379 0.581 6.708 1.00 0.00 H new ATOM 0 HA ARG A 23 0.272 -1.898 7.797 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.966 -0.814 9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.855 -0.210 8.550 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.294 1.758 8.425 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.556 1.160 9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.274 1.225 10.450 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.830 2.771 9.753 1.00 0.00 H new ATOM 0 HE ARG A 23 0.389 3.214 11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.662 -0.122 11.727 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.127 -0.385 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.286 2.865 13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.017 1.321 14.515 1.00 0.00 H new ATOM 370 N LEU A 24 -2.356 -0.152 8.566 1.00 0.00 N ATOM 371 CA LEU A 24 -3.669 -0.191 9.187 1.00 0.00 C ATOM 372 C LEU A 24 -4.525 -1.251 8.492 1.00 0.00 C ATOM 373 O LEU A 24 -5.063 -2.145 9.144 1.00 0.00 O ATOM 374 CB LEU A 24 -4.300 1.203 9.193 1.00 0.00 C ATOM 375 CG LEU A 24 -5.777 1.272 8.799 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.673 0.796 9.945 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.152 2.677 8.323 1.00 0.00 C ATOM 0 H LEU A 24 -2.198 0.648 7.953 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.587 -0.483 10.234 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.191 1.625 10.192 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.733 1.840 8.514 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.939 0.594 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.717 0.855 9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.426 -0.236 10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.514 1.429 10.818 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.207 2.699 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.970 3.393 9.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.546 2.941 7.456 1.00 0.00 H new ATOM 389 N VAL A 25 -4.626 -1.116 7.178 1.00 0.00 N ATOM 390 CA VAL A 25 -5.408 -2.052 6.388 1.00 0.00 C ATOM 391 C VAL A 25 -4.992 -3.482 6.738 1.00 0.00 C ATOM 392 O VAL A 25 -5.797 -4.407 6.644 1.00 0.00 O ATOM 393 CB VAL A 25 -5.257 -1.733 4.899 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.660 -2.932 4.038 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.065 -0.490 4.520 1.00 0.00 C ATOM 0 H VAL A 25 -4.180 -0.373 6.641 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.468 -1.956 6.622 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.205 -1.521 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.543 -2.679 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.024 -3.783 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.701 -3.189 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.940 -0.285 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.120 -0.662 4.735 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.711 0.364 5.098 1.00 0.00 H new ATOM 405 N ARG A 26 -3.735 -3.617 7.134 1.00 0.00 N ATOM 406 CA ARG A 26 -3.202 -4.919 7.499 1.00 0.00 C ATOM 407 C ARG A 26 -3.910 -5.452 8.747 1.00 0.00 C ATOM 408 O ARG A 26 -4.325 -6.609 8.783 1.00 0.00 O ATOM 409 CB ARG A 26 -1.698 -4.843 7.768 1.00 0.00 C ATOM 410 CG ARG A 26 -0.905 -4.865 6.460 1.00 0.00 C ATOM 411 CD ARG A 26 0.590 -5.047 6.728 1.00 0.00 C ATOM 412 NE ARG A 26 1.332 -3.842 6.294 1.00 0.00 N ATOM 413 CZ ARG A 26 2.564 -3.511 6.736 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.204 -4.295 7.630 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.134 -2.411 6.282 1.00 0.00 N ATOM 0 H ARG A 26 -3.070 -2.847 7.210 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.376 -5.595 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.469 -3.932 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.394 -5.681 8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.266 -5.675 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.070 -3.936 5.915 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.759 -5.225 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.959 -5.923 6.195 1.00 0.00 H new ATOM 0 HE ARG A 26 0.884 -3.223 5.618 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.757 -5.144 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.135 -4.038 7.959 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.644 -1.824 5.607 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.064 -2.147 6.606 1.00 0.00 H new ATOM 428 N THR A 27 -4.026 -4.582 9.739 1.00 0.00 N ATOM 429 CA THR A 27 -4.676 -4.950 10.985 1.00 0.00 C ATOM 430 C THR A 27 -6.178 -5.142 10.767 1.00 0.00 C ATOM 431 O THR A 27 -6.749 -6.143 11.197 1.00 0.00 O ATOM 432 CB THR A 27 -4.346 -3.878 12.026 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.921 -3.859 12.065 1.00 0.00 O ATOM 434 CG2 THR A 27 -4.752 -4.292 13.442 1.00 0.00 C ATOM 0 H THR A 27 -3.681 -3.623 9.705 1.00 0.00 H new ATOM 0 HA THR A 27 -4.308 -5.907 11.355 1.00 0.00 H new ATOM 0 HB THR A 27 -4.849 -2.948 11.761 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.620 -3.189 12.714 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.496 -3.496 14.141 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.827 -4.472 13.475 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.223 -5.204 13.720 1.00 0.00 H new ATOM 442 N SER A 28 -6.776 -4.167 10.098 1.00 0.00 N ATOM 443 CA SER A 28 -8.200 -4.216 9.817 1.00 0.00 C ATOM 444 C SER A 28 -8.564 -5.563 9.190 1.00 0.00 C ATOM 445 O SER A 28 -9.544 -6.192 9.586 1.00 0.00 O ATOM 446 CB SER A 28 -8.619 -3.070 8.893 1.00 0.00 C ATOM 447 OG SER A 28 -8.234 -3.306 7.542 1.00 0.00 O ATOM 0 H SER A 28 -6.300 -3.338 9.742 1.00 0.00 H new ATOM 0 HA SER A 28 -8.738 -4.103 10.758 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.700 -2.940 8.944 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.169 -2.140 9.241 1.00 0.00 H new ATOM 0 HG SER A 28 -7.335 -3.695 7.521 1.00 0.00 H new ATOM 453 N THR A 29 -7.755 -5.967 8.221 1.00 0.00 N ATOM 454 CA THR A 29 -7.979 -7.228 7.536 1.00 0.00 C ATOM 455 C THR A 29 -7.842 -8.398 8.512 1.00 0.00 C ATOM 456 O THR A 29 -8.798 -9.140 8.736 1.00 0.00 O ATOM 457 CB THR A 29 -7.007 -7.304 6.357 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.210 -6.078 5.659 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.401 -8.380 5.342 1.00 0.00 C ATOM 0 H THR A 29 -6.943 -5.443 7.894 1.00 0.00 H new ATOM 0 HA THR A 29 -8.994 -7.290 7.144 1.00 0.00 H new ATOM 0 HB THR A 29 -6.002 -7.505 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.462 -5.471 5.840 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.679 -8.392 4.526 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.413 -9.354 5.831 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.393 -8.161 4.946 1.00 0.00 H new ATOM 467 N ALA A 30 -6.646 -8.526 9.069 1.00 0.00 N ATOM 468 CA ALA A 30 -6.372 -9.593 10.016 1.00 0.00 C ATOM 469 C ALA A 30 -7.483 -9.633 11.068 1.00 0.00 C ATOM 470 O ALA A 30 -7.827 -10.701 11.572 1.00 0.00 O ATOM 471 CB ALA A 30 -4.990 -9.383 10.636 1.00 0.00 C ATOM 0 H ALA A 30 -5.856 -7.908 8.882 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.360 -10.559 9.512 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.785 -10.184 11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.234 -9.392 9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.965 -8.424 11.153 1.00 0.00 H new ATOM 477 N THR A 31 -8.013 -8.456 11.367 1.00 0.00 N ATOM 478 CA THR A 31 -9.078 -8.343 12.349 1.00 0.00 C ATOM 479 C THR A 31 -10.353 -9.013 11.833 1.00 0.00 C ATOM 480 O THR A 31 -11.114 -9.589 12.610 1.00 0.00 O ATOM 481 CB THR A 31 -9.262 -6.860 12.679 1.00 0.00 C ATOM 482 OG1 THR A 31 -8.105 -6.529 13.443 1.00 0.00 O ATOM 483 CG2 THR A 31 -10.426 -6.614 13.641 1.00 0.00 C ATOM 0 H THR A 31 -7.725 -7.572 10.947 1.00 0.00 H new ATOM 0 HA THR A 31 -8.823 -8.867 13.270 1.00 0.00 H new ATOM 0 HB THR A 31 -9.428 -6.301 11.758 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.332 -6.444 12.846 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.513 -5.546 13.842 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.351 -6.975 13.192 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.244 -7.145 14.575 1.00 0.00 H new ATOM 491 N VAL A 32 -10.548 -8.915 10.526 1.00 0.00 N ATOM 492 CA VAL A 32 -11.717 -9.505 9.898 1.00 0.00 C ATOM 493 C VAL A 32 -11.662 -11.026 10.052 1.00 0.00 C ATOM 494 O VAL A 32 -12.696 -11.677 10.196 1.00 0.00 O ATOM 495 CB VAL A 32 -11.810 -9.055 8.438 1.00 0.00 C ATOM 496 CG1 VAL A 32 -13.050 -9.642 7.761 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.798 -7.528 8.333 1.00 0.00 C ATOM 0 H VAL A 32 -9.916 -8.436 9.885 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.628 -9.162 10.389 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.932 -9.433 7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.092 -9.307 6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.999 -10.730 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.944 -9.308 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.865 -7.235 7.285 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.648 -7.119 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.872 -7.141 8.759 1.00 0.00 H new ATOM 507 N LEU A 33 -10.445 -11.548 10.016 1.00 0.00 N ATOM 508 CA LEU A 33 -10.241 -12.981 10.150 1.00 0.00 C ATOM 509 C LEU A 33 -10.359 -13.372 11.625 1.00 0.00 C ATOM 510 O LEU A 33 -10.421 -14.556 11.953 1.00 0.00 O ATOM 511 CB LEU A 33 -8.916 -13.396 9.508 1.00 0.00 C ATOM 512 CG LEU A 33 -8.812 -13.193 7.995 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.198 -13.183 7.346 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.016 -11.928 7.665 1.00 0.00 C ATOM 0 H LEU A 33 -9.590 -11.005 9.896 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.014 -13.528 9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.112 -12.836 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.744 -14.450 9.726 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.265 -14.037 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.095 -13.037 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.696 -14.133 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.791 -12.371 7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.957 -11.807 6.583 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.513 -11.061 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.010 -12.014 8.076 1.00 0.00 H new ATOM 526 N GLY A 34 -10.386 -12.356 12.474 1.00 0.00 N ATOM 527 CA GLY A 34 -10.495 -12.579 13.905 1.00 0.00 C ATOM 528 C GLY A 34 -9.369 -13.486 14.406 1.00 0.00 C ATOM 529 O GLY A 34 -9.507 -14.140 15.439 1.00 0.00 O ATOM 0 H GLY A 34 -10.334 -11.375 12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.458 -11.624 14.429 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.460 -13.031 14.134 1.00 0.00 H new ATOM 533 N HIS A 35 -8.280 -13.496 13.651 1.00 0.00 N ATOM 534 CA HIS A 35 -7.131 -14.311 14.006 1.00 0.00 C ATOM 535 C HIS A 35 -6.216 -13.527 14.948 1.00 0.00 C ATOM 536 O HIS A 35 -5.247 -14.072 15.475 1.00 0.00 O ATOM 537 CB HIS A 35 -6.408 -14.805 12.751 1.00 0.00 C ATOM 538 CG HIS A 35 -7.030 -16.031 12.126 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.879 -16.348 10.787 1.00 0.00 N ATOM 540 CD2 HIS A 35 -7.803 -17.014 12.670 1.00 0.00 C ATOM 541 CE1 HIS A 35 -7.538 -17.473 10.547 1.00 0.00 C ATOM 542 NE2 HIS A 35 -8.110 -17.883 11.715 1.00 0.00 N ATOM 0 H HIS A 35 -8.169 -12.953 12.795 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.463 -15.202 14.538 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.392 -14.002 12.014 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.371 -15.025 13.005 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.113 -17.075 13.703 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.609 -17.976 9.594 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.680 -18.720 11.835 1.00 0.00 H new ATOM 550 N ASP A 36 -6.555 -12.259 15.131 1.00 0.00 N ATOM 551 CA ASP A 36 -5.775 -11.394 16.000 1.00 0.00 C ATOM 552 C ASP A 36 -4.288 -11.704 15.820 1.00 0.00 C ATOM 553 O ASP A 36 -3.682 -12.366 16.661 1.00 0.00 O ATOM 554 CB ASP A 36 -6.132 -11.625 17.470 1.00 0.00 C ATOM 555 CG ASP A 36 -7.625 -11.543 17.794 1.00 0.00 C ATOM 556 OD1 ASP A 36 -8.439 -11.130 16.954 1.00 0.00 O ATOM 557 OD2 ASP A 36 -7.947 -11.930 18.981 1.00 0.00 O ATOM 0 H ASP A 36 -7.359 -11.810 14.692 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.995 -10.360 15.733 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.765 -12.607 17.767 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.603 -10.890 18.076 1.00 0.00 H new ATOM 563 N ASP A 37 -3.743 -11.211 14.718 1.00 0.00 N ATOM 564 CA ASP A 37 -2.338 -11.426 14.417 1.00 0.00 C ATOM 565 C ASP A 37 -1.950 -10.597 13.192 1.00 0.00 C ATOM 566 O ASP A 37 -1.940 -11.104 12.072 1.00 0.00 O ATOM 567 CB ASP A 37 -2.062 -12.897 14.099 1.00 0.00 C ATOM 568 CG ASP A 37 -3.285 -13.703 13.656 1.00 0.00 C ATOM 569 OD1 ASP A 37 -4.135 -13.210 12.899 1.00 0.00 O ATOM 570 OD2 ASP A 37 -3.348 -14.902 14.128 1.00 0.00 O ATOM 0 H ASP A 37 -4.249 -10.663 14.022 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.757 -11.130 15.291 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.308 -12.948 13.314 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.634 -13.370 14.983 1.00 0.00 H new ATOM 576 N PRO A 38 -1.630 -9.301 13.453 1.00 0.00 N ATOM 577 CA PRO A 38 -1.243 -8.395 12.385 1.00 0.00 C ATOM 578 C PRO A 38 0.182 -8.687 11.909 1.00 0.00 C ATOM 579 O PRO A 38 0.564 -8.299 10.806 1.00 0.00 O ATOM 580 CB PRO A 38 -1.399 -7.003 12.973 1.00 0.00 C ATOM 581 CG PRO A 38 -1.420 -7.187 14.481 1.00 0.00 C ATOM 582 CD PRO A 38 -1.630 -8.665 14.767 1.00 0.00 C ATOM 0 HA PRO A 38 -1.861 -8.507 11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.575 -6.357 12.670 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.318 -6.533 12.624 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.484 -6.842 14.921 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.219 -6.595 14.927 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.836 -9.063 15.399 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.571 -8.837 15.290 1.00 0.00 H new ATOM 590 N LYS A 39 0.930 -9.368 12.765 1.00 0.00 N ATOM 591 CA LYS A 39 2.304 -9.716 12.447 1.00 0.00 C ATOM 592 C LYS A 39 2.314 -10.848 11.418 1.00 0.00 C ATOM 593 O LYS A 39 3.340 -11.118 10.796 1.00 0.00 O ATOM 594 CB LYS A 39 3.085 -10.037 13.723 1.00 0.00 C ATOM 595 CG LYS A 39 3.613 -8.760 14.379 1.00 0.00 C ATOM 596 CD LYS A 39 4.132 -9.042 15.790 1.00 0.00 C ATOM 597 CE LYS A 39 3.392 -8.196 16.827 1.00 0.00 C ATOM 598 NZ LYS A 39 3.424 -8.854 18.152 1.00 0.00 N ATOM 0 H LYS A 39 0.610 -9.688 13.679 1.00 0.00 H new ATOM 0 HA LYS A 39 2.816 -8.868 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.442 -10.570 14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.918 -10.700 13.487 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.413 -8.339 13.771 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.819 -8.014 14.422 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.007 -10.100 16.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.200 -8.829 15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.850 -7.209 16.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.359 -8.047 16.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.917 -8.266 18.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.966 -9.786 18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.411 -8.973 18.457 1.00 0.00 H new ATOM 611 N ALA A 40 1.159 -11.482 11.272 1.00 0.00 N ATOM 612 CA ALA A 40 1.022 -12.579 10.330 1.00 0.00 C ATOM 613 C ALA A 40 0.412 -12.055 9.028 1.00 0.00 C ATOM 614 O ALA A 40 -0.093 -12.831 8.218 1.00 0.00 O ATOM 615 CB ALA A 40 0.182 -13.692 10.960 1.00 0.00 C ATOM 0 H ALA A 40 0.310 -11.256 11.791 1.00 0.00 H new ATOM 0 HA ALA A 40 1.997 -13.002 10.090 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.079 -14.515 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.673 -14.050 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.805 -13.305 11.212 1.00 0.00 H new ATOM 621 N VAL A 41 0.478 -10.741 8.868 1.00 0.00 N ATOM 622 CA VAL A 41 -0.062 -10.104 7.679 1.00 0.00 C ATOM 623 C VAL A 41 1.039 -9.289 6.998 1.00 0.00 C ATOM 624 O VAL A 41 2.020 -8.909 7.636 1.00 0.00 O ATOM 625 CB VAL A 41 -1.288 -9.265 8.045 1.00 0.00 C ATOM 626 CG1 VAL A 41 -1.835 -8.530 6.820 1.00 0.00 C ATOM 627 CG2 VAL A 41 -2.370 -10.130 8.695 1.00 0.00 C ATOM 0 H VAL A 41 0.897 -10.100 9.542 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.401 -10.854 6.964 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.976 -8.516 8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.706 -7.941 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.067 -7.869 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.123 -9.255 6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.230 -9.509 8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.677 -10.912 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.975 -10.586 9.603 1.00 0.00 H new ATOM 637 N ARG A 42 0.840 -9.043 5.712 1.00 0.00 N ATOM 638 CA ARG A 42 1.804 -8.280 4.937 1.00 0.00 C ATOM 639 C ARG A 42 1.089 -7.220 4.097 1.00 0.00 C ATOM 640 O ARG A 42 -0.131 -7.082 4.171 1.00 0.00 O ATOM 641 CB ARG A 42 2.615 -9.191 4.015 1.00 0.00 C ATOM 642 CG ARG A 42 4.079 -9.255 4.456 1.00 0.00 C ATOM 643 CD ARG A 42 4.896 -8.135 3.809 1.00 0.00 C ATOM 644 NE ARG A 42 4.974 -6.973 4.723 1.00 0.00 N ATOM 645 CZ ARG A 42 5.822 -6.888 5.769 1.00 0.00 C ATOM 646 NH1 ARG A 42 6.675 -7.898 6.044 1.00 0.00 N ATOM 647 NH2 ARG A 42 5.806 -5.802 6.520 1.00 0.00 N ATOM 0 H ARG A 42 0.025 -9.359 5.186 1.00 0.00 H new ATOM 0 HA ARG A 42 2.484 -7.795 5.638 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.186 -10.193 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.556 -8.823 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.139 -9.174 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.502 -10.222 4.185 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.899 -8.493 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.437 -7.837 2.866 1.00 0.00 H new ATOM 0 HE ARG A 42 4.347 -6.187 4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.682 -8.734 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.313 -7.825 6.837 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.159 -5.043 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.441 -5.722 7.314 1.00 0.00 H new ATOM 660 N ALA A 43 1.880 -6.498 3.315 1.00 0.00 N ATOM 661 CA ALA A 43 1.337 -5.455 2.461 1.00 0.00 C ATOM 662 C ALA A 43 1.162 -6.003 1.043 1.00 0.00 C ATOM 663 O ALA A 43 0.317 -5.523 0.289 1.00 0.00 O ATOM 664 CB ALA A 43 2.255 -4.232 2.504 1.00 0.00 C ATOM 0 H ALA A 43 2.892 -6.615 3.255 1.00 0.00 H new ATOM 0 HA ALA A 43 0.356 -5.139 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.848 -3.449 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.323 -3.864 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.248 -4.510 2.151 1.00 0.00 H new ATOM 670 N THR A 44 1.974 -6.999 0.724 1.00 0.00 N ATOM 671 CA THR A 44 1.919 -7.617 -0.590 1.00 0.00 C ATOM 672 C THR A 44 1.492 -9.082 -0.473 1.00 0.00 C ATOM 673 O THR A 44 2.087 -9.958 -1.100 1.00 0.00 O ATOM 674 CB THR A 44 3.284 -7.434 -1.256 1.00 0.00 C ATOM 675 OG1 THR A 44 4.189 -8.111 -0.388 1.00 0.00 O ATOM 676 CG2 THR A 44 3.759 -5.980 -1.228 1.00 0.00 C ATOM 0 H THR A 44 2.674 -7.394 1.352 1.00 0.00 H new ATOM 0 HA THR A 44 1.167 -7.141 -1.220 1.00 0.00 H new ATOM 0 HB THR A 44 3.232 -7.780 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.099 -8.043 -0.746 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.732 -5.906 -1.713 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.041 -5.353 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.843 -5.644 -0.194 1.00 0.00 H new ATOM 684 N THR A 45 0.465 -9.303 0.333 1.00 0.00 N ATOM 685 CA THR A 45 -0.049 -10.646 0.540 1.00 0.00 C ATOM 686 C THR A 45 -1.433 -10.791 -0.095 1.00 0.00 C ATOM 687 O THR A 45 -2.206 -9.835 -0.135 1.00 0.00 O ATOM 688 CB THR A 45 -0.038 -10.930 2.043 1.00 0.00 C ATOM 689 OG1 THR A 45 1.315 -11.279 2.321 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.830 -12.188 2.408 1.00 0.00 C ATOM 0 H THR A 45 -0.026 -8.574 0.851 1.00 0.00 H new ATOM 0 HA THR A 45 0.579 -11.390 0.049 1.00 0.00 H new ATOM 0 HB THR A 45 -0.451 -10.074 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.343 -11.905 3.074 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.790 -12.343 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.868 -12.068 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.397 -13.050 1.901 1.00 0.00 H new ATOM 698 N PRO A 46 -1.712 -12.028 -0.589 1.00 0.00 N ATOM 699 CA PRO A 46 -2.989 -12.311 -1.221 1.00 0.00 C ATOM 700 C PRO A 46 -4.101 -12.439 -0.177 1.00 0.00 C ATOM 701 O PRO A 46 -4.263 -13.494 0.434 1.00 0.00 O ATOM 702 CB PRO A 46 -2.763 -13.590 -2.009 1.00 0.00 C ATOM 703 CG PRO A 46 -1.514 -14.227 -1.422 1.00 0.00 C ATOM 704 CD PRO A 46 -0.821 -13.184 -0.560 1.00 0.00 C ATOM 0 HA PRO A 46 -3.320 -11.508 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.620 -14.258 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.631 -13.377 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.775 -15.102 -0.827 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.850 -14.568 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.674 -13.545 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.164 -12.935 -0.955 1.00 0.00 H new ATOM 712 N PHE A 47 -4.837 -11.351 -0.006 1.00 0.00 N ATOM 713 CA PHE A 47 -5.928 -11.329 0.953 1.00 0.00 C ATOM 714 C PHE A 47 -6.826 -12.557 0.790 1.00 0.00 C ATOM 715 O PHE A 47 -7.349 -13.083 1.772 1.00 0.00 O ATOM 716 CB PHE A 47 -6.749 -10.070 0.668 1.00 0.00 C ATOM 717 CG PHE A 47 -7.790 -10.244 -0.439 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.019 -10.746 -0.144 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.488 -9.896 -1.718 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.986 -10.907 -1.171 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.455 -10.057 -2.746 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.683 -10.559 -2.450 1.00 0.00 C ATOM 0 H PHE A 47 -4.699 -10.478 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.531 -11.335 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.255 -9.764 1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.072 -9.262 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.260 -11.022 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.512 -9.497 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.962 -11.306 -0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.215 -9.781 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.419 -10.682 -3.231 1.00 0.00 H new ATOM 732 N LYS A 48 -6.977 -12.978 -0.457 1.00 0.00 N ATOM 733 CA LYS A 48 -7.803 -14.134 -0.761 1.00 0.00 C ATOM 734 C LYS A 48 -7.415 -15.290 0.163 1.00 0.00 C ATOM 735 O LYS A 48 -8.265 -16.087 0.557 1.00 0.00 O ATOM 736 CB LYS A 48 -7.714 -14.480 -2.249 1.00 0.00 C ATOM 737 CG LYS A 48 -9.097 -14.446 -2.903 1.00 0.00 C ATOM 738 CD LYS A 48 -9.048 -15.026 -4.318 1.00 0.00 C ATOM 739 CE LYS A 48 -8.858 -13.920 -5.358 1.00 0.00 C ATOM 740 NZ LYS A 48 -9.093 -14.444 -6.722 1.00 0.00 N ATOM 0 H LYS A 48 -6.541 -12.539 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.853 -13.912 -0.571 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.053 -13.774 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.275 -15.470 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.804 -15.014 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.461 -13.419 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.231 -15.744 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.970 -15.569 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.546 -13.099 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.848 -13.515 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.960 -13.680 -7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.420 -15.212 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.065 -14.809 -6.791 1.00 0.00 H new ATOM 753 N GLU A 49 -6.130 -15.345 0.481 1.00 0.00 N ATOM 754 CA GLU A 49 -5.619 -16.391 1.352 1.00 0.00 C ATOM 755 C GLU A 49 -6.093 -16.164 2.789 1.00 0.00 C ATOM 756 O GLU A 49 -6.327 -17.119 3.527 1.00 0.00 O ATOM 757 CB GLU A 49 -4.092 -16.464 1.282 1.00 0.00 C ATOM 758 CG GLU A 49 -3.635 -17.171 0.005 1.00 0.00 C ATOM 759 CD GLU A 49 -3.884 -18.678 0.093 1.00 0.00 C ATOM 760 OE1 GLU A 49 -5.044 -19.115 0.093 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.820 -19.403 0.161 1.00 0.00 O ATOM 0 H GLU A 49 -5.428 -14.683 0.152 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.012 -17.348 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.674 -15.458 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.709 -16.996 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.168 -16.760 -0.853 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.574 -16.983 -0.159 1.00 0.00 H new ATOM 769 N LEU A 50 -6.219 -14.893 3.142 1.00 0.00 N ATOM 770 CA LEU A 50 -6.661 -14.529 4.478 1.00 0.00 C ATOM 771 C LEU A 50 -7.983 -15.234 4.784 1.00 0.00 C ATOM 772 O LEU A 50 -8.226 -15.643 5.918 1.00 0.00 O ATOM 773 CB LEU A 50 -6.727 -13.007 4.623 1.00 0.00 C ATOM 774 CG LEU A 50 -5.415 -12.253 4.396 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.663 -10.749 4.264 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.401 -12.573 5.496 1.00 0.00 C ATOM 0 H LEU A 50 -6.023 -14.103 2.527 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.941 -14.867 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.468 -12.627 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.089 -12.773 5.624 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.985 -12.592 3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.714 -10.237 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.324 -10.562 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.127 -10.375 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.478 -12.024 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.809 -12.280 6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.193 -13.643 5.499 1.00 0.00 H new ATOM 788 N GLY A 51 -8.805 -15.356 3.751 1.00 0.00 N ATOM 789 CA GLY A 51 -10.097 -16.005 3.895 1.00 0.00 C ATOM 790 C GLY A 51 -11.238 -15.003 3.707 1.00 0.00 C ATOM 791 O GLY A 51 -12.065 -14.823 4.599 1.00 0.00 O ATOM 0 H GLY A 51 -8.601 -15.016 2.811 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.189 -16.807 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.170 -16.464 4.881 1.00 0.00 H new ATOM 795 N PHE A 52 -11.246 -14.377 2.539 1.00 0.00 N ATOM 796 CA PHE A 52 -12.272 -13.398 2.222 1.00 0.00 C ATOM 797 C PHE A 52 -13.192 -13.908 1.111 1.00 0.00 C ATOM 798 O PHE A 52 -12.786 -14.732 0.293 1.00 0.00 O ATOM 799 CB PHE A 52 -11.553 -12.139 1.734 1.00 0.00 C ATOM 800 CG PHE A 52 -11.285 -11.110 2.833 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.300 -11.490 4.139 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.031 -9.814 2.505 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.051 -10.534 5.160 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.782 -8.859 3.526 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.797 -9.239 4.832 1.00 0.00 C ATOM 0 H PHE A 52 -10.558 -14.529 1.801 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.884 -13.202 3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.604 -12.427 1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.151 -11.672 0.951 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.501 -12.519 4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.019 -9.512 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.063 -10.836 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.581 -7.830 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.607 -8.512 5.608 1.00 0.00 H new ATOM 815 N ASP A 53 -14.414 -13.397 1.118 1.00 0.00 N ATOM 816 CA ASP A 53 -15.396 -13.791 0.121 1.00 0.00 C ATOM 817 C ASP A 53 -16.472 -12.709 0.016 1.00 0.00 C ATOM 818 O ASP A 53 -16.472 -11.919 -0.927 1.00 0.00 O ATOM 819 CB ASP A 53 -16.081 -15.103 0.511 1.00 0.00 C ATOM 820 CG ASP A 53 -16.155 -15.371 2.015 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.167 -15.199 2.744 1.00 0.00 O ATOM 822 OD2 ASP A 53 -17.303 -15.781 2.440 1.00 0.00 O ATOM 0 H ASP A 53 -14.747 -12.714 1.798 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.878 -13.923 -0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.093 -15.101 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.550 -15.928 0.036 1.00 0.00 H new ATOM 828 N SER A 54 -17.363 -12.707 0.997 1.00 0.00 N ATOM 829 CA SER A 54 -18.442 -11.735 1.026 1.00 0.00 C ATOM 830 C SER A 54 -18.551 -11.116 2.421 1.00 0.00 C ATOM 831 O SER A 54 -18.383 -9.908 2.583 1.00 0.00 O ATOM 832 CB SER A 54 -19.772 -12.376 0.625 1.00 0.00 C ATOM 833 OG SER A 54 -19.870 -12.565 -0.784 1.00 0.00 O ATOM 0 H SER A 54 -17.359 -13.363 1.778 1.00 0.00 H new ATOM 0 HA SER A 54 -18.215 -10.951 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.877 -13.337 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.595 -11.747 0.965 1.00 0.00 H new ATOM 0 HG SER A 54 -20.732 -12.978 -0.999 1.00 0.00 H new ATOM 839 N LEU A 55 -18.830 -11.972 3.393 1.00 0.00 N ATOM 840 CA LEU A 55 -18.964 -11.524 4.769 1.00 0.00 C ATOM 841 C LEU A 55 -17.652 -10.877 5.219 1.00 0.00 C ATOM 842 O LEU A 55 -17.641 -9.728 5.658 1.00 0.00 O ATOM 843 CB LEU A 55 -19.421 -12.676 5.666 1.00 0.00 C ATOM 844 CG LEU A 55 -20.930 -12.918 5.730 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.267 -14.373 5.398 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.496 -12.494 7.087 1.00 0.00 C ATOM 0 H LEU A 55 -18.967 -12.973 3.255 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.740 -10.763 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.941 -13.592 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.060 -12.488 6.677 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.408 -12.296 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.346 -14.518 5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.918 -14.607 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.777 -15.033 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.570 -12.676 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.016 -13.071 7.878 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.305 -11.433 7.245 1.00 0.00 H new ATOM 858 N ALA A 56 -16.578 -11.643 5.095 1.00 0.00 N ATOM 859 CA ALA A 56 -15.265 -11.159 5.484 1.00 0.00 C ATOM 860 C ALA A 56 -14.864 -9.997 4.573 1.00 0.00 C ATOM 861 O ALA A 56 -14.096 -9.125 4.975 1.00 0.00 O ATOM 862 CB ALA A 56 -14.260 -12.312 5.434 1.00 0.00 C ATOM 0 H ALA A 56 -16.591 -12.596 4.730 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.282 -10.785 6.508 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.275 -11.949 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.574 -13.099 6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.214 -12.711 4.421 1.00 0.00 H new ATOM 868 N ALA A 57 -15.402 -10.024 3.362 1.00 0.00 N ATOM 869 CA ALA A 57 -15.110 -8.983 2.391 1.00 0.00 C ATOM 870 C ALA A 57 -15.883 -7.715 2.760 1.00 0.00 C ATOM 871 O ALA A 57 -15.445 -6.607 2.457 1.00 0.00 O ATOM 872 CB ALA A 57 -15.450 -9.486 0.986 1.00 0.00 C ATOM 0 H ALA A 57 -16.038 -10.750 3.031 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.048 -8.736 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.231 -8.706 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.853 -10.370 0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.509 -9.741 0.937 1.00 0.00 H new ATOM 878 N VAL A 58 -17.019 -7.922 3.409 1.00 0.00 N ATOM 879 CA VAL A 58 -17.857 -6.809 3.822 1.00 0.00 C ATOM 880 C VAL A 58 -17.429 -6.344 5.215 1.00 0.00 C ATOM 881 O VAL A 58 -17.623 -5.183 5.573 1.00 0.00 O ATOM 882 CB VAL A 58 -19.332 -7.211 3.753 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.181 -6.341 4.682 1.00 0.00 C ATOM 884 CG2 VAL A 58 -19.851 -7.147 2.315 1.00 0.00 C ATOM 0 H VAL A 58 -17.379 -8.843 3.659 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.732 -5.964 3.144 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.414 -8.243 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.225 -6.647 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.834 -6.459 5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.090 -5.296 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -20.901 -7.437 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.748 -6.130 1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.274 -7.828 1.689 1.00 0.00 H new ATOM 894 N ARG A 59 -16.855 -7.274 5.964 1.00 0.00 N ATOM 895 CA ARG A 59 -16.398 -6.973 7.310 1.00 0.00 C ATOM 896 C ARG A 59 -15.274 -5.935 7.270 1.00 0.00 C ATOM 897 O ARG A 59 -15.251 -5.008 8.079 1.00 0.00 O ATOM 898 CB ARG A 59 -15.892 -8.234 8.015 1.00 0.00 C ATOM 899 CG ARG A 59 -16.736 -8.547 9.252 1.00 0.00 C ATOM 900 CD ARG A 59 -16.198 -9.776 9.986 1.00 0.00 C ATOM 901 NE ARG A 59 -16.872 -9.918 11.296 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.629 -10.921 12.167 1.00 0.00 C ATOM 903 NH1 ARG A 59 -15.725 -11.880 11.874 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.289 -10.949 13.310 1.00 0.00 N ATOM 0 H ARG A 59 -16.696 -8.236 5.664 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.246 -6.574 7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.924 -9.078 7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.850 -8.099 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -16.735 -7.689 9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.771 -8.720 8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.362 -10.670 9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.122 -9.682 10.130 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.563 -9.215 11.557 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.219 -11.851 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.548 -12.634 12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.970 -10.220 13.524 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.118 -11.699 13.979 1.00 0.00 H new ATOM 917 N LEU A 60 -14.370 -6.125 6.321 1.00 0.00 N ATOM 918 CA LEU A 60 -13.247 -5.217 6.164 1.00 0.00 C ATOM 919 C LEU A 60 -13.763 -3.847 5.719 1.00 0.00 C ATOM 920 O LEU A 60 -13.545 -2.846 6.401 1.00 0.00 O ATOM 921 CB LEU A 60 -12.200 -5.815 5.222 1.00 0.00 C ATOM 922 CG LEU A 60 -11.038 -4.897 4.840 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.151 -4.602 6.052 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.239 -5.480 3.674 1.00 0.00 C ATOM 0 H LEU A 60 -14.392 -6.895 5.652 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.738 -5.073 7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.791 -6.711 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.702 -6.132 4.308 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.451 -3.946 4.504 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.332 -3.947 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.743 -4.113 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.745 -5.536 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.419 -4.807 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.837 -6.452 3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.891 -5.596 2.808 1.00 0.00 H new ATOM 936 N ARG A 61 -14.437 -3.846 4.579 1.00 0.00 N ATOM 937 CA ARG A 61 -14.985 -2.615 4.035 1.00 0.00 C ATOM 938 C ARG A 61 -15.783 -1.870 5.107 1.00 0.00 C ATOM 939 O ARG A 61 -15.927 -0.650 5.043 1.00 0.00 O ATOM 940 CB ARG A 61 -15.895 -2.899 2.838 1.00 0.00 C ATOM 941 CG ARG A 61 -16.549 -1.613 2.328 1.00 0.00 C ATOM 942 CD ARG A 61 -18.066 -1.656 2.521 1.00 0.00 C ATOM 943 NE ARG A 61 -18.718 -2.160 1.291 1.00 0.00 N ATOM 944 CZ ARG A 61 -20.018 -2.517 1.216 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.817 -2.427 2.300 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.496 -2.954 0.066 1.00 0.00 N ATOM 0 H ARG A 61 -14.616 -4.678 4.017 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.150 -1.998 3.704 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.316 -3.359 2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.666 -3.614 3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -16.135 -0.755 2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.317 -1.477 1.272 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.316 -2.299 3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.439 -0.660 2.758 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.150 -2.243 0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.440 -2.087 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.798 -2.699 2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.886 -3.018 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.476 -3.228 -0.008 1.00 0.00 H new ATOM 959 N ASN A 62 -16.280 -2.635 6.067 1.00 0.00 N ATOM 960 CA ASN A 62 -17.059 -2.062 7.152 1.00 0.00 C ATOM 961 C ASN A 62 -16.116 -1.394 8.155 1.00 0.00 C ATOM 962 O ASN A 62 -16.367 -0.275 8.597 1.00 0.00 O ATOM 963 CB ASN A 62 -17.849 -3.143 7.893 1.00 0.00 C ATOM 964 CG ASN A 62 -19.318 -3.139 7.465 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.182 -2.583 8.123 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.552 -3.788 6.328 1.00 0.00 N ATOM 0 H ASN A 62 -16.159 -3.647 6.117 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.752 -1.338 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.411 -4.121 7.692 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.779 -2.977 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.501 -3.842 5.958 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.783 -4.232 5.826 1.00 0.00 H new ATOM 973 N LEU A 63 -15.051 -2.110 8.484 1.00 0.00 N ATOM 974 CA LEU A 63 -14.069 -1.601 9.426 1.00 0.00 C ATOM 975 C LEU A 63 -13.267 -0.479 8.764 1.00 0.00 C ATOM 976 O LEU A 63 -13.065 0.578 9.359 1.00 0.00 O ATOM 977 CB LEU A 63 -13.202 -2.742 9.965 1.00 0.00 C ATOM 978 CG LEU A 63 -13.066 -2.819 11.487 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.038 -1.806 11.997 1.00 0.00 C ATOM 980 CD2 LEU A 63 -14.425 -2.649 12.169 1.00 0.00 C ATOM 0 H LEU A 63 -14.847 -3.039 8.115 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.564 -1.169 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.615 -3.686 9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.205 -2.648 9.535 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.698 -3.811 11.747 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.960 -1.881 13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.067 -2.016 11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.354 -0.799 11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.299 -2.708 13.250 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.846 -1.679 11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.099 -3.439 11.839 1.00 0.00 H new ATOM 992 N LEU A 64 -12.831 -0.748 7.542 1.00 0.00 N ATOM 993 CA LEU A 64 -12.056 0.226 6.793 1.00 0.00 C ATOM 994 C LEU A 64 -12.861 1.521 6.663 1.00 0.00 C ATOM 995 O LEU A 64 -12.294 2.587 6.427 1.00 0.00 O ATOM 996 CB LEU A 64 -11.613 -0.360 5.451 1.00 0.00 C ATOM 997 CG LEU A 64 -10.460 -1.365 5.506 1.00 0.00 C ATOM 998 CD1 LEU A 64 -9.791 -1.507 4.137 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.457 -0.990 6.599 1.00 0.00 C ATOM 0 H LEU A 64 -13.000 -1.627 7.052 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.138 0.473 7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.472 -0.847 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.322 0.462 4.797 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.869 -2.341 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.975 -2.227 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.523 -1.855 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.397 -0.540 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.648 -1.720 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.048 -0.001 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.959 -0.982 7.566 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.169 1.385 6.822 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.057 2.531 6.726 1.00 0.00 C ATOM 1013 C ASN A 65 -14.593 3.615 7.701 1.00 0.00 C ATOM 1014 O ASN A 65 -14.959 4.780 7.560 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.492 2.148 7.093 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.502 2.970 6.289 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.465 4.189 6.259 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -18.402 2.237 5.641 1.00 0.00 N ATOM 0 H ASN A 65 -14.635 0.499 7.017 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.031 2.891 5.698 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.649 1.086 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.654 2.308 8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.119 2.692 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.376 1.220 5.709 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.793 3.192 8.669 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.275 4.111 9.667 1.00 0.00 C ATOM 1027 C ALA A 66 -11.894 4.606 9.231 1.00 0.00 C ATOM 1028 O ALA A 66 -11.412 5.626 9.722 1.00 0.00 O ATOM 1029 CB ALA A 66 -13.242 3.419 11.031 1.00 0.00 C ATOM 0 H ALA A 66 -13.491 2.224 8.783 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.924 4.982 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.853 4.109 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.251 3.113 11.308 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.598 2.541 10.978 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.297 3.861 8.313 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.981 4.211 7.805 1.00 0.00 C ATOM 1037 C ALA A 67 -10.136 5.022 6.517 1.00 0.00 C ATOM 1038 O ALA A 67 -9.151 5.314 5.841 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.159 2.937 7.597 1.00 0.00 C ATOM 0 H ALA A 67 -11.700 3.016 7.907 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.444 4.832 8.523 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.172 3.199 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.054 2.413 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.665 2.291 6.880 1.00 0.00 H new ATOM 1045 N THR A 68 -11.380 5.363 6.216 1.00 0.00 N ATOM 1046 CA THR A 68 -11.677 6.135 5.021 1.00 0.00 C ATOM 1047 C THR A 68 -12.809 7.127 5.294 1.00 0.00 C ATOM 1048 O THR A 68 -12.579 8.333 5.365 1.00 0.00 O ATOM 1049 CB THR A 68 -11.988 5.154 3.890 1.00 0.00 C ATOM 1050 OG1 THR A 68 -11.945 3.875 4.517 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.873 5.093 2.844 1.00 0.00 C ATOM 0 H THR A 68 -12.195 5.119 6.779 1.00 0.00 H new ATOM 0 HA THR A 68 -10.823 6.741 4.719 1.00 0.00 H new ATOM 0 HB THR A 68 -12.923 5.441 3.408 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.668 3.809 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.145 4.382 2.064 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.734 6.080 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.945 4.774 3.319 1.00 0.00 H new ATOM 1059 N GLY A 69 -14.008 6.582 5.441 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.176 7.404 5.705 1.00 0.00 C ATOM 1061 C GLY A 69 -16.333 7.025 4.778 1.00 0.00 C ATOM 1062 O GLY A 69 -17.476 7.415 5.015 1.00 0.00 O ATOM 0 H GLY A 69 -14.195 5.581 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.483 7.283 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.924 8.455 5.567 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.998 6.270 3.743 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.994 5.834 2.780 1.00 0.00 C ATOM 1068 C LEU A 70 -17.247 4.335 2.956 1.00 0.00 C ATOM 1069 O LEU A 70 -16.770 3.731 3.915 1.00 0.00 O ATOM 1070 CB LEU A 70 -16.575 6.224 1.361 1.00 0.00 C ATOM 1071 CG LEU A 70 -15.070 6.254 1.091 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.398 7.397 1.854 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -14.429 4.901 1.405 1.00 0.00 C ATOM 0 H LEU A 70 -15.049 5.949 3.550 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.942 6.341 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -17.036 5.525 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.983 7.210 1.141 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.918 6.443 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.328 7.395 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.828 8.348 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.558 7.264 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -13.359 4.950 1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.590 4.657 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.880 4.131 0.780 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.996 3.779 2.016 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.318 2.363 2.055 1.00 0.00 C ATOM 1087 C ARG A 71 -17.379 1.579 1.136 1.00 0.00 C ATOM 1088 O ARG A 71 -17.527 0.368 0.978 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.765 2.114 1.626 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.654 1.824 2.838 1.00 0.00 C ATOM 1091 CD ARG A 71 -22.011 1.267 2.401 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.976 1.353 3.519 1.00 0.00 N ATOM 1093 CZ ARG A 71 -24.313 1.232 3.376 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -24.855 1.017 2.158 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -25.083 1.326 4.444 1.00 0.00 N ATOM 0 H ARG A 71 -18.390 4.284 1.222 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.193 2.024 3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -20.145 2.985 1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.803 1.274 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.158 1.110 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.800 2.738 3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.384 1.827 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.902 0.230 2.082 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.608 1.514 4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -24.253 0.945 1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -25.866 0.927 2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.666 1.488 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -26.095 1.237 4.353 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.434 2.302 0.553 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.471 1.690 -0.347 1.00 0.00 C ATOM 1110 C LEU A 72 -16.217 0.923 -1.440 1.00 0.00 C ATOM 1111 O LEU A 72 -17.406 0.637 -1.302 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.476 0.832 0.437 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.310 1.580 1.085 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.744 0.793 2.269 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.232 1.916 0.053 1.00 0.00 C ATOM 0 H LEU A 72 -16.315 3.306 0.686 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.875 2.455 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.021 0.302 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.069 0.077 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.686 2.525 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.916 1.347 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.524 0.648 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.388 -0.178 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.415 2.448 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.853 0.995 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.659 2.545 -0.728 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.470 0.604 -2.531 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.048 -0.124 -3.647 1.00 0.00 C ATOM 1129 C PRO A 73 -16.235 -1.603 -3.299 1.00 0.00 C ATOM 1130 O PRO A 73 -15.326 -2.240 -2.771 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.085 0.097 -4.802 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.776 0.548 -4.173 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.060 0.926 -2.728 1.00 0.00 C ATOM 0 HA PRO A 73 -17.047 0.227 -3.906 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.947 -0.819 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.467 0.850 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.035 -0.250 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.364 1.398 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.426 0.366 -2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.867 1.984 -2.550 1.00 0.00 H new ATOM 1141 N SER A 74 -17.421 -2.105 -3.611 1.00 0.00 N ATOM 1142 CA SER A 74 -17.739 -3.496 -3.338 1.00 0.00 C ATOM 1143 C SER A 74 -16.692 -4.408 -3.980 1.00 0.00 C ATOM 1144 O SER A 74 -16.508 -5.546 -3.551 1.00 0.00 O ATOM 1145 CB SER A 74 -19.137 -3.852 -3.847 1.00 0.00 C ATOM 1146 OG SER A 74 -19.297 -3.541 -5.229 1.00 0.00 O ATOM 0 H SER A 74 -18.173 -1.573 -4.050 1.00 0.00 H new ATOM 0 HA SER A 74 -17.727 -3.644 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.320 -4.915 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.883 -3.311 -3.265 1.00 0.00 H new ATOM 0 HG SER A 74 -20.202 -3.784 -5.516 1.00 0.00 H new ATOM 1152 N THR A 75 -16.035 -3.875 -4.999 1.00 0.00 N ATOM 1153 CA THR A 75 -15.011 -4.627 -5.705 1.00 0.00 C ATOM 1154 C THR A 75 -13.689 -4.578 -4.938 1.00 0.00 C ATOM 1155 O THR A 75 -12.759 -5.322 -5.247 1.00 0.00 O ATOM 1156 CB THR A 75 -14.910 -4.068 -7.126 1.00 0.00 C ATOM 1157 OG1 THR A 75 -16.239 -4.161 -7.632 1.00 0.00 O ATOM 1158 CG2 THR A 75 -14.094 -4.971 -8.054 1.00 0.00 C ATOM 0 H THR A 75 -16.191 -2.931 -5.353 1.00 0.00 H new ATOM 0 HA THR A 75 -15.272 -5.683 -5.773 1.00 0.00 H new ATOM 0 HB THR A 75 -14.458 -3.077 -7.094 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.264 -3.818 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.054 -4.528 -9.049 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.082 -5.076 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.564 -5.953 -8.112 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.646 -3.695 -3.951 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.453 -3.540 -3.136 1.00 0.00 C ATOM 1168 C LEU A 76 -11.850 -4.918 -2.855 1.00 0.00 C ATOM 1169 O LEU A 76 -10.678 -5.156 -3.143 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.768 -2.737 -1.872 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.602 -2.525 -0.904 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.359 -1.035 -0.657 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.825 -3.294 0.399 1.00 0.00 C ATOM 0 H LEU A 76 -14.419 -3.079 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.698 -2.964 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.148 -1.760 -2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.572 -3.241 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.699 -2.926 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.525 -0.912 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.123 -0.543 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.255 -0.586 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.982 -3.126 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.742 -2.946 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.910 -4.359 0.183 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.678 -5.788 -2.297 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.241 -7.136 -1.974 1.00 0.00 C ATOM 1187 C VAL A 77 -12.378 -8.023 -3.213 1.00 0.00 C ATOM 1188 O VAL A 77 -12.868 -9.147 -3.125 1.00 0.00 O ATOM 1189 CB VAL A 77 -13.023 -7.665 -0.770 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.752 -9.155 -0.553 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.701 -6.860 0.490 1.00 0.00 C ATOM 0 H VAL A 77 -13.649 -5.586 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.189 -7.138 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.086 -7.545 -0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.320 -9.506 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.055 -9.713 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.688 -9.309 -0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.270 -7.257 1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.635 -6.934 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.968 -5.815 0.332 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.937 -7.483 -4.340 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.004 -8.211 -5.595 1.00 0.00 C ATOM 1203 C PHE A 78 -10.930 -7.724 -6.570 1.00 0.00 C ATOM 1204 O PHE A 78 -10.286 -8.529 -7.242 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.384 -7.937 -6.198 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.926 -9.081 -7.056 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.400 -9.316 -8.288 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.935 -9.864 -6.587 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -13.904 -10.379 -9.084 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.439 -10.926 -7.383 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.913 -11.161 -8.615 1.00 0.00 C ATOM 0 H PHE A 78 -11.532 -6.550 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.841 -9.274 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.089 -7.737 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.331 -7.034 -6.806 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.599 -8.695 -8.661 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.353 -9.678 -5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.486 -10.566 -10.062 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.240 -11.547 -7.010 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.297 -11.969 -9.221 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.768 -6.410 -6.615 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.783 -5.807 -7.496 1.00 0.00 C ATOM 1223 C ASP A 79 -8.479 -5.591 -6.724 1.00 0.00 C ATOM 1224 O ASP A 79 -7.447 -5.283 -7.317 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.260 -4.446 -8.006 1.00 0.00 C ATOM 1226 CG ASP A 79 -9.884 -4.131 -9.455 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.752 -4.046 -10.337 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -8.622 -3.967 -9.668 1.00 0.00 O ATOM 0 H ASP A 79 -11.303 -5.746 -6.055 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.633 -6.477 -8.342 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.345 -4.398 -7.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.848 -3.669 -7.362 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.570 -5.763 -5.413 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.410 -5.591 -4.555 1.00 0.00 C ATOM 1236 C HIS A 80 -6.805 -6.958 -4.231 1.00 0.00 C ATOM 1237 O HIS A 80 -7.395 -7.743 -3.489 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.776 -4.792 -3.302 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.889 -5.630 -2.051 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -9.068 -5.755 -1.336 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.961 -6.385 -1.396 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.847 -6.549 -0.299 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.540 -6.939 -0.338 1.00 0.00 N ATOM 0 H HIS A 80 -9.428 -6.019 -4.925 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.649 -5.010 -5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.023 -4.020 -3.143 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.724 -4.282 -3.473 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.956 -5.311 -1.568 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.929 -6.511 -1.689 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.574 -6.837 0.446 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.604 -7.208 -4.817 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.912 -8.467 -4.599 1.00 0.00 C ATOM 1253 C PRO A 81 -4.279 -8.510 -3.206 1.00 0.00 C ATOM 1254 O PRO A 81 -4.378 -9.517 -2.507 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.888 -8.553 -5.719 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.727 -7.136 -6.246 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.875 -6.303 -5.701 1.00 0.00 C ATOM 0 HA PRO A 81 -5.583 -9.326 -4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.939 -8.943 -5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.226 -9.227 -6.506 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.770 -6.719 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.735 -7.131 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.509 -5.431 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.513 -5.935 -6.504 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.644 -7.405 -2.845 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.995 -7.304 -1.549 1.00 0.00 C ATOM 1267 C ASN A 82 -3.376 -5.975 -0.895 1.00 0.00 C ATOM 1268 O ASN A 82 -4.167 -5.211 -1.447 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.473 -7.342 -1.690 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.043 -8.395 -2.714 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -1.191 -9.589 -2.515 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.504 -7.886 -3.819 1.00 0.00 N ATOM 0 H ASN A 82 -3.565 -6.571 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.322 -8.148 -0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.108 -6.362 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.020 -7.563 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.185 -8.506 -4.563 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.409 -6.876 -3.922 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.796 -5.738 0.272 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.065 -4.514 1.007 1.00 0.00 C ATOM 1281 C ALA A 83 -2.433 -3.332 0.269 1.00 0.00 C ATOM 1282 O ALA A 83 -3.074 -2.299 0.081 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.544 -4.653 2.439 1.00 0.00 C ATOM 0 H ALA A 83 -2.140 -6.373 0.727 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.138 -4.330 1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.746 -3.735 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.045 -5.488 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.470 -4.836 2.419 1.00 0.00 H new ATOM 1289 N SER A 84 -1.184 -3.523 -0.129 1.00 0.00 N ATOM 1290 CA SER A 84 -0.459 -2.485 -0.842 1.00 0.00 C ATOM 1291 C SER A 84 -1.380 -1.806 -1.857 1.00 0.00 C ATOM 1292 O SER A 84 -1.315 -0.592 -2.044 1.00 0.00 O ATOM 1293 CB SER A 84 0.773 -3.059 -1.545 1.00 0.00 C ATOM 1294 OG SER A 84 1.848 -2.123 -1.586 1.00 0.00 O ATOM 0 H SER A 84 -0.656 -4.381 0.029 1.00 0.00 H new ATOM 0 HA SER A 84 -0.120 -1.745 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.098 -3.962 -1.028 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.508 -3.351 -2.561 1.00 0.00 H new ATOM 0 HG SER A 84 2.616 -2.527 -2.041 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.218 -2.618 -2.484 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.152 -2.111 -3.475 1.00 0.00 C ATOM 1302 C ALA A 85 -4.328 -1.440 -2.764 1.00 0.00 C ATOM 1303 O ALA A 85 -4.764 -0.360 -3.160 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.598 -3.254 -4.389 1.00 0.00 C ATOM 0 H ALA A 85 -2.270 -3.624 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.674 -1.359 -4.103 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.299 -2.873 -5.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.729 -3.677 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.085 -4.027 -3.794 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.810 -2.107 -1.725 1.00 0.00 N ATOM 1311 CA VAL A 86 -5.927 -1.589 -0.955 1.00 0.00 C ATOM 1312 C VAL A 86 -5.628 -0.148 -0.537 1.00 0.00 C ATOM 1313 O VAL A 86 -6.488 0.725 -0.647 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.216 -2.509 0.233 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.262 -1.892 1.163 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -6.653 -3.896 -0.241 1.00 0.00 C ATOM 0 H VAL A 86 -4.446 -3.002 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.833 -1.570 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.292 -2.625 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.449 -2.566 1.999 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.895 -0.938 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.189 -1.731 0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.852 -4.530 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.558 -3.807 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.861 -4.341 -0.843 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.407 0.056 -0.066 1.00 0.00 N ATOM 1327 CA ALA A 87 -3.984 1.376 0.370 1.00 0.00 C ATOM 1328 C ALA A 87 -4.391 2.410 -0.682 1.00 0.00 C ATOM 1329 O ALA A 87 -5.113 3.359 -0.378 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.476 1.370 0.628 1.00 0.00 C ATOM 0 H ALA A 87 -3.697 -0.671 0.023 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.474 1.646 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.159 2.360 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.242 0.640 1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.951 1.106 -0.290 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.911 2.192 -1.897 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.216 3.093 -2.995 1.00 0.00 C ATOM 1338 C GLY A 88 -5.728 3.244 -3.177 1.00 0.00 C ATOM 1339 O GLY A 88 -6.275 4.328 -2.979 1.00 0.00 O ATOM 0 H GLY A 88 -3.313 1.404 -2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.770 4.069 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.771 2.714 -3.915 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.360 2.142 -3.552 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.798 2.138 -3.762 1.00 0.00 C ATOM 1345 C PHE A 89 -8.505 3.017 -2.729 1.00 0.00 C ATOM 1346 O PHE A 89 -9.468 3.710 -3.053 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.271 0.693 -3.594 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.036 0.144 -4.800 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.377 0.347 -4.904 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.376 -0.545 -5.769 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.088 -0.162 -6.023 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -9.086 -1.054 -6.888 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.427 -0.852 -6.991 1.00 0.00 C ATOM 0 H PHE A 89 -5.903 1.245 -3.716 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.030 2.529 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.405 0.058 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.909 0.631 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.901 0.895 -4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.311 -0.705 -5.687 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.153 -0.001 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.561 -1.601 -7.657 1.00 0.00 H new ATOM 0 HZ PHE A 89 -10.967 -1.240 -7.842 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.000 2.960 -1.505 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.572 3.742 -0.422 1.00 0.00 C ATOM 1365 C LEU A 90 -8.150 5.205 -0.578 1.00 0.00 C ATOM 1366 O LEU A 90 -8.989 6.104 -0.537 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.199 3.135 0.932 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.195 2.131 1.514 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.104 0.786 0.790 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.004 1.982 3.025 1.00 0.00 C ATOM 0 H LEU A 90 -7.201 2.384 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.661 3.717 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.232 2.642 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.071 3.946 1.649 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.202 2.516 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.823 0.090 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.327 0.926 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.097 0.382 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.725 1.262 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.993 1.630 3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.158 2.947 3.508 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.851 5.397 -0.753 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.308 6.736 -0.915 1.00 0.00 C ATOM 1384 C ASP A 91 -7.074 7.461 -2.023 1.00 0.00 C ATOM 1385 O ASP A 91 -7.425 8.631 -1.876 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.832 6.687 -1.314 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.999 7.887 -0.860 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -4.100 8.336 0.291 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.208 8.372 -1.757 1.00 0.00 O ATOM 0 H ASP A 91 -6.159 4.649 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.407 7.258 0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.390 5.780 -0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.767 6.608 -2.399 1.00 0.00 H new ATOM 1395 N ALA A 92 -7.310 6.737 -3.107 1.00 0.00 N ATOM 1396 CA ALA A 92 -8.027 7.298 -4.240 1.00 0.00 C ATOM 1397 C ALA A 92 -9.434 7.704 -3.796 1.00 0.00 C ATOM 1398 O ALA A 92 -9.960 8.722 -4.244 1.00 0.00 O ATOM 1399 CB ALA A 92 -8.048 6.283 -5.385 1.00 0.00 C ATOM 0 H ALA A 92 -7.018 5.767 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.525 8.193 -4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.586 6.704 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.026 6.049 -5.682 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.547 5.372 -5.055 1.00 0.00 H new ATOM 1405 N GLU A 93 -10.003 6.887 -2.922 1.00 0.00 N ATOM 1406 CA GLU A 93 -11.339 7.149 -2.413 1.00 0.00 C ATOM 1407 C GLU A 93 -11.330 8.383 -1.508 1.00 0.00 C ATOM 1408 O GLU A 93 -12.336 9.080 -1.392 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.892 5.930 -1.672 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.311 4.835 -2.655 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.780 4.990 -3.055 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.581 5.526 -2.276 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.078 4.531 -4.223 1.00 0.00 O ATOM 0 H GLU A 93 -9.564 6.043 -2.553 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.996 7.348 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.136 5.541 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.748 6.226 -1.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.682 4.879 -3.544 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.155 3.856 -2.202 1.00 0.00 H new ATOM 1421 N LEU A 94 -10.181 8.615 -0.889 1.00 0.00 N ATOM 1422 CA LEU A 94 -10.027 9.752 0.002 1.00 0.00 C ATOM 1423 C LEU A 94 -9.535 10.959 -0.799 1.00 0.00 C ATOM 1424 O LEU A 94 -9.700 12.101 -0.372 1.00 0.00 O ATOM 1425 CB LEU A 94 -9.126 9.389 1.184 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.721 8.421 2.208 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.702 7.353 2.610 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.268 9.175 3.422 1.00 0.00 C ATOM 0 H LEU A 94 -9.348 8.034 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.988 10.028 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.206 8.954 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.850 10.308 1.700 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.561 7.906 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.151 6.678 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.401 6.787 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.827 7.832 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.685 8.463 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.462 9.734 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.047 9.866 3.100 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.941 10.665 -1.946 1.00 0.00 N ATOM 1441 CA GLY A 95 -8.423 11.713 -2.810 1.00 0.00 C ATOM 1442 C GLY A 95 -7.788 11.120 -4.070 1.00 0.00 C ATOM 1443 O GLY A 95 -7.906 11.687 -5.155 1.00 0.00 O ATOM 0 H GLY A 95 -8.807 9.717 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.230 12.391 -3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.683 12.303 -2.269 1.00 0.00 H new