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 Single : A 18 THR OG1 : rot 79:sc= 0.0427 USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 28 SER OG : rot 72:sc= 0.477 USER MOD Single : A 29 THR OG1 : rot 104:sc= 1.01 USER MOD Single : A 31 THR OG1 : rot 94:sc= 1.16 USER MOD Single : A 35 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.7) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00623 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00935 USER MOD Single : A 62 ASN : amide:sc= 0.768 K(o=0.77,f=-0.92) USER MOD Single : A 65 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.2!) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0.0866 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0462 USER MOD Single : A 80 HIS : no HE2:sc= -16.4! C(o=-16!,f=-14!) USER MOD Single : A 82 ASN : amide:sc= -2.98! C(o=-3!,f=-4.1!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 1.356 13.003 3.572 1.00 0.00 N ATOM 201 CA ARG A 14 0.988 11.998 2.589 1.00 0.00 C ATOM 202 C ARG A 14 1.634 10.655 2.936 1.00 0.00 C ATOM 203 O ARG A 14 0.956 9.630 2.981 1.00 0.00 O ATOM 204 CB ARG A 14 1.422 12.417 1.183 1.00 0.00 C ATOM 205 CG ARG A 14 0.363 12.036 0.146 1.00 0.00 C ATOM 206 CD ARG A 14 0.275 13.089 -0.960 1.00 0.00 C ATOM 207 NE ARG A 14 -0.666 14.161 -0.564 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.286 15.348 -0.045 1.00 0.00 C ATOM 209 NH1 ARG A 14 1.021 15.625 0.147 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.212 16.233 0.273 1.00 0.00 N ATOM 0 HA ARG A 14 -0.097 11.899 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.591 13.493 1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.369 11.939 0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.607 11.067 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.607 11.933 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.261 13.512 -1.151 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.058 12.626 -1.889 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.664 13.992 -0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.730 14.935 -0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.299 16.524 0.540 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.198 16.015 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.942 17.135 0.666 1.00 0.00 H new ATOM 223 N ALA A 15 2.937 10.705 3.172 1.00 0.00 N ATOM 224 CA ALA A 15 3.681 9.505 3.514 1.00 0.00 C ATOM 225 C ALA A 15 2.942 8.748 4.619 1.00 0.00 C ATOM 226 O ALA A 15 2.456 7.639 4.398 1.00 0.00 O ATOM 227 CB ALA A 15 5.106 9.887 3.922 1.00 0.00 C ATOM 0 H ALA A 15 3.496 11.557 3.133 1.00 0.00 H new ATOM 0 HA ALA A 15 3.754 8.841 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.665 8.987 4.179 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.598 10.395 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.072 10.551 4.786 1.00 0.00 H new ATOM 233 N GLU A 16 2.880 9.376 5.783 1.00 0.00 N ATOM 234 CA GLU A 16 2.208 8.776 6.923 1.00 0.00 C ATOM 235 C GLU A 16 0.778 8.380 6.548 1.00 0.00 C ATOM 236 O GLU A 16 0.302 7.315 6.939 1.00 0.00 O ATOM 237 CB GLU A 16 2.218 9.721 8.126 1.00 0.00 C ATOM 238 CG GLU A 16 1.941 8.959 9.424 1.00 0.00 C ATOM 239 CD GLU A 16 0.528 8.375 9.426 1.00 0.00 C ATOM 240 OE1 GLU A 16 -0.379 8.942 8.800 1.00 0.00 O ATOM 241 OE2 GLU A 16 0.388 7.290 10.110 1.00 0.00 O ATOM 0 H GLU A 16 3.284 10.295 5.962 1.00 0.00 H new ATOM 0 HA GLU A 16 2.751 7.875 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.184 10.221 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.466 10.498 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.670 8.157 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.063 9.628 10.276 1.00 0.00 H new ATOM 249 N ARG A 17 0.133 9.259 5.795 1.00 0.00 N ATOM 250 CA ARG A 17 -1.233 9.015 5.363 1.00 0.00 C ATOM 251 C ARG A 17 -1.311 7.714 4.562 1.00 0.00 C ATOM 252 O ARG A 17 -2.133 6.847 4.858 1.00 0.00 O ATOM 253 CB ARG A 17 -1.752 10.168 4.502 1.00 0.00 C ATOM 254 CG ARG A 17 -3.214 9.943 4.109 1.00 0.00 C ATOM 255 CD ARG A 17 -4.122 9.967 5.340 1.00 0.00 C ATOM 256 NE ARG A 17 -4.104 11.313 5.957 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.090 11.800 6.740 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.182 11.055 7.009 1.00 0.00 N ATOM 259 NH2 ARG A 17 -4.969 13.016 7.238 1.00 0.00 N ATOM 0 H ARG A 17 0.531 10.141 5.473 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.854 8.935 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.659 11.106 5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.140 10.261 3.605 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.528 10.714 3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.314 8.986 3.598 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.140 9.702 5.056 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.788 9.222 6.063 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.296 11.910 5.779 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.267 10.116 6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.922 11.431 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.140 13.572 7.029 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.705 13.400 7.832 1.00 0.00 H new ATOM 272 N THR A 18 -0.445 7.617 3.564 1.00 0.00 N ATOM 273 CA THR A 18 -0.407 6.436 2.719 1.00 0.00 C ATOM 274 C THR A 18 -0.018 5.205 3.540 1.00 0.00 C ATOM 275 O THR A 18 -0.638 4.150 3.415 1.00 0.00 O ATOM 276 CB THR A 18 0.548 6.717 1.557 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.131 7.701 0.781 1.00 0.00 O ATOM 278 CG2 THR A 18 0.683 5.524 0.608 1.00 0.00 C ATOM 0 H THR A 18 0.236 8.337 3.322 1.00 0.00 H new ATOM 0 HA THR A 18 -1.391 6.214 2.305 1.00 0.00 H new ATOM 0 HB THR A 18 1.530 6.982 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.032 8.578 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.372 5.777 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.067 4.664 1.157 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.293 5.281 0.188 1.00 0.00 H new ATOM 286 N ALA A 19 1.007 5.380 4.361 1.00 0.00 N ATOM 287 CA ALA A 19 1.486 4.297 5.203 1.00 0.00 C ATOM 288 C ALA A 19 0.430 3.976 6.263 1.00 0.00 C ATOM 289 O ALA A 19 0.409 2.874 6.809 1.00 0.00 O ATOM 290 CB ALA A 19 2.831 4.685 5.818 1.00 0.00 C ATOM 0 H ALA A 19 1.519 6.256 4.461 1.00 0.00 H new ATOM 0 HA ALA A 19 1.646 3.394 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.190 3.873 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.553 4.874 5.024 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.710 5.586 6.420 1.00 0.00 H new ATOM 296 N GLU A 20 -0.420 4.958 6.523 1.00 0.00 N ATOM 297 CA GLU A 20 -1.475 4.794 7.508 1.00 0.00 C ATOM 298 C GLU A 20 -2.595 3.916 6.945 1.00 0.00 C ATOM 299 O GLU A 20 -3.126 3.056 7.646 1.00 0.00 O ATOM 300 CB GLU A 20 -2.017 6.151 7.962 1.00 0.00 C ATOM 301 CG GLU A 20 -3.245 5.978 8.858 1.00 0.00 C ATOM 302 CD GLU A 20 -3.123 6.829 10.124 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.428 6.433 11.072 1.00 0.00 O ATOM 304 OE2 GLU A 20 -3.782 7.937 10.102 1.00 0.00 O ATOM 0 H GLU A 20 -0.400 5.871 6.068 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.055 4.297 8.382 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.242 6.694 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.279 6.752 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.143 6.262 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.356 4.928 9.130 1.00 0.00 H new ATOM 312 N LEU A 21 -2.920 4.164 5.685 1.00 0.00 N ATOM 313 CA LEU A 21 -3.967 3.406 5.020 1.00 0.00 C ATOM 314 C LEU A 21 -3.535 1.943 4.902 1.00 0.00 C ATOM 315 O LEU A 21 -4.364 1.039 4.994 1.00 0.00 O ATOM 316 CB LEU A 21 -4.327 4.052 3.680 1.00 0.00 C ATOM 317 CG LEU A 21 -5.647 4.824 3.641 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.832 3.900 3.930 1.00 0.00 C ATOM 319 CD2 LEU A 21 -5.610 6.023 4.591 1.00 0.00 C ATOM 0 H LEU A 21 -2.477 4.878 5.107 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.883 3.421 5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.523 4.732 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.363 3.271 2.921 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.783 5.216 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.758 4.474 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.868 3.109 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.716 3.458 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.561 6.554 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.439 5.675 5.610 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.804 6.695 4.297 1.00 0.00 H new ATOM 331 N VAL A 22 -2.240 1.756 4.698 1.00 0.00 N ATOM 332 CA VAL A 22 -1.688 0.419 4.566 1.00 0.00 C ATOM 333 C VAL A 22 -1.657 -0.254 5.940 1.00 0.00 C ATOM 334 O VAL A 22 -2.429 -1.175 6.201 1.00 0.00 O ATOM 335 CB VAL A 22 -0.311 0.484 3.901 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.475 -0.806 4.142 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.438 0.777 2.405 1.00 0.00 C ATOM 0 H VAL A 22 -1.556 2.509 4.621 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.318 -0.192 3.919 1.00 0.00 H new ATOM 0 HB VAL A 22 0.243 1.304 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.450 -0.734 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.611 -0.955 5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.075 -1.650 3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.555 0.818 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.019 -0.012 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.940 1.734 2.263 1.00 0.00 H new ATOM 347 N ARG A 23 -0.758 0.234 6.782 1.00 0.00 N ATOM 348 CA ARG A 23 -0.616 -0.308 8.123 1.00 0.00 C ATOM 349 C ARG A 23 -1.993 -0.564 8.740 1.00 0.00 C ATOM 350 O ARG A 23 -2.148 -1.455 9.573 1.00 0.00 O ATOM 351 CB ARG A 23 0.170 0.647 9.023 1.00 0.00 C ATOM 352 CG ARG A 23 -0.613 1.938 9.268 1.00 0.00 C ATOM 353 CD ARG A 23 -1.365 1.880 10.599 1.00 0.00 C ATOM 354 NE ARG A 23 -0.603 2.603 11.642 1.00 0.00 N ATOM 355 CZ ARG A 23 -0.737 2.381 12.967 1.00 0.00 C ATOM 356 NH1 ARG A 23 -1.606 1.454 13.423 1.00 0.00 N ATOM 357 NH2 ARG A 23 -0.005 3.085 13.811 1.00 0.00 N ATOM 0 H ARG A 23 -0.120 0.999 6.562 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.069 -1.247 8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.385 0.161 9.975 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.129 0.881 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.070 2.787 9.269 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.320 2.099 8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.355 2.323 10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.512 0.842 10.898 1.00 0.00 H new ATOM 0 HE ARG A 23 0.065 3.313 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.168 0.914 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.700 1.293 14.426 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.649 3.784 13.459 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.094 2.930 14.815 1.00 0.00 H new ATOM 370 N LEU A 24 -2.957 0.235 8.307 1.00 0.00 N ATOM 371 CA LEU A 24 -4.316 0.107 8.807 1.00 0.00 C ATOM 372 C LEU A 24 -5.002 -1.069 8.110 1.00 0.00 C ATOM 373 O LEU A 24 -5.581 -1.933 8.768 1.00 0.00 O ATOM 374 CB LEU A 24 -5.067 1.432 8.661 1.00 0.00 C ATOM 375 CG LEU A 24 -6.542 1.415 9.070 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.721 0.777 10.449 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.145 2.819 9.006 1.00 0.00 C ATOM 0 H LEU A 24 -2.824 0.973 7.616 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.311 -0.114 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.553 2.186 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.002 1.751 7.621 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.087 0.798 8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.778 0.777 10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.353 -0.249 10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.160 1.347 11.189 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.193 2.778 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.603 3.479 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.069 3.201 7.988 1.00 0.00 H new ATOM 389 N VAL A 25 -4.914 -1.066 6.788 1.00 0.00 N ATOM 390 CA VAL A 25 -5.519 -2.122 5.995 1.00 0.00 C ATOM 391 C VAL A 25 -5.017 -3.479 6.493 1.00 0.00 C ATOM 392 O VAL A 25 -5.803 -4.410 6.668 1.00 0.00 O ATOM 393 CB VAL A 25 -5.237 -1.889 4.510 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.413 -3.181 3.709 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.122 -0.773 3.952 1.00 0.00 C ATOM 0 H VAL A 25 -4.432 -0.348 6.246 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.603 -2.113 6.111 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.198 -1.573 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.207 -2.987 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.722 -3.937 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.436 -3.540 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.901 -0.628 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.170 -1.047 4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.926 0.152 4.494 1.00 0.00 H new ATOM 405 N ARG A 26 -3.712 -3.549 6.708 1.00 0.00 N ATOM 406 CA ARG A 26 -3.096 -4.776 7.183 1.00 0.00 C ATOM 407 C ARG A 26 -3.787 -5.258 8.460 1.00 0.00 C ATOM 408 O ARG A 26 -4.355 -6.349 8.489 1.00 0.00 O ATOM 409 CB ARG A 26 -1.606 -4.572 7.464 1.00 0.00 C ATOM 410 CG ARG A 26 -0.803 -5.823 7.099 1.00 0.00 C ATOM 411 CD ARG A 26 0.580 -5.449 6.561 1.00 0.00 C ATOM 412 NE ARG A 26 0.455 -4.382 5.543 1.00 0.00 N ATOM 413 CZ ARG A 26 -0.098 -4.561 4.324 1.00 0.00 C ATOM 414 NH1 ARG A 26 -0.583 -5.767 3.961 1.00 0.00 N ATOM 415 NH2 ARG A 26 -0.157 -3.537 3.492 1.00 0.00 N ATOM 0 H ARG A 26 -3.064 -2.775 6.562 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.207 -5.526 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.238 -3.720 6.893 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.460 -4.336 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.696 -6.460 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.344 -6.401 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.218 -5.111 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.059 -6.325 6.124 1.00 0.00 H new ATOM 0 HE ARG A 26 0.808 -3.454 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.534 -6.553 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.999 -5.893 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.212 -2.629 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.571 -3.654 2.567 1.00 0.00 H new ATOM 428 N THR A 27 -3.717 -4.421 9.485 1.00 0.00 N ATOM 429 CA THR A 27 -4.329 -4.748 10.761 1.00 0.00 C ATOM 430 C THR A 27 -5.823 -5.025 10.581 1.00 0.00 C ATOM 431 O THR A 27 -6.334 -6.031 11.071 1.00 0.00 O ATOM 432 CB THR A 27 -4.036 -3.603 11.733 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.686 -3.244 11.450 1.00 0.00 O ATOM 434 CG2 THR A 27 -4.001 -4.066 13.191 1.00 0.00 C ATOM 0 H THR A 27 -3.246 -3.517 9.457 1.00 0.00 H new ATOM 0 HA THR A 27 -3.909 -5.663 11.178 1.00 0.00 H new ATOM 0 HB THR A 27 -4.792 -2.827 11.617 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.671 -2.421 10.918 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.789 -3.215 13.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.966 -4.495 13.460 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.222 -4.819 13.315 1.00 0.00 H new ATOM 442 N SER A 28 -6.480 -4.115 9.878 1.00 0.00 N ATOM 443 CA SER A 28 -7.905 -4.248 9.627 1.00 0.00 C ATOM 444 C SER A 28 -8.203 -5.622 9.024 1.00 0.00 C ATOM 445 O SER A 28 -9.144 -6.296 9.442 1.00 0.00 O ATOM 446 CB SER A 28 -8.407 -3.141 8.699 1.00 0.00 C ATOM 447 OG SER A 28 -8.067 -1.844 9.182 1.00 0.00 O ATOM 0 H SER A 28 -6.052 -3.282 9.474 1.00 0.00 H new ATOM 0 HA SER A 28 -8.430 -4.153 10.577 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.982 -3.281 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.489 -3.217 8.596 1.00 0.00 H new ATOM 0 HG SER A 28 -7.103 -1.699 9.080 1.00 0.00 H new ATOM 453 N THR A 29 -7.385 -5.997 8.051 1.00 0.00 N ATOM 454 CA THR A 29 -7.550 -7.278 7.387 1.00 0.00 C ATOM 455 C THR A 29 -7.391 -8.423 8.389 1.00 0.00 C ATOM 456 O THR A 29 -8.363 -9.098 8.726 1.00 0.00 O ATOM 457 CB THR A 29 -6.553 -7.342 6.228 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.861 -6.194 5.441 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.819 -8.520 5.290 1.00 0.00 C ATOM 0 H THR A 29 -6.606 -5.436 7.707 1.00 0.00 H new ATOM 0 HA THR A 29 -8.554 -7.384 6.977 1.00 0.00 H new ATOM 0 HB THR A 29 -5.540 -7.417 6.625 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.187 -5.500 5.598 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.083 -8.518 4.486 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.744 -9.453 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.819 -8.429 4.867 1.00 0.00 H new ATOM 467 N ALA A 30 -6.158 -8.607 8.837 1.00 0.00 N ATOM 468 CA ALA A 30 -5.859 -9.659 9.794 1.00 0.00 C ATOM 469 C ALA A 30 -6.900 -9.634 10.915 1.00 0.00 C ATOM 470 O ALA A 30 -7.321 -10.683 11.400 1.00 0.00 O ATOM 471 CB ALA A 30 -4.433 -9.482 10.319 1.00 0.00 C ATOM 0 H ALA A 30 -5.354 -8.046 8.555 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.912 -10.638 9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.209 -10.271 11.037 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.730 -9.537 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.343 -8.511 10.807 1.00 0.00 H new ATOM 477 N THR A 31 -7.286 -8.425 11.293 1.00 0.00 N ATOM 478 CA THR A 31 -8.270 -8.249 12.348 1.00 0.00 C ATOM 479 C THR A 31 -9.545 -9.030 12.023 1.00 0.00 C ATOM 480 O THR A 31 -10.208 -9.546 12.922 1.00 0.00 O ATOM 481 CB THR A 31 -8.507 -6.748 12.529 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.405 -6.317 13.323 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.731 -6.449 13.396 1.00 0.00 C ATOM 0 H THR A 31 -6.935 -7.557 10.888 1.00 0.00 H new ATOM 0 HA THR A 31 -7.911 -8.652 13.295 1.00 0.00 H new ATOM 0 HB THR A 31 -8.631 -6.279 11.553 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.691 -5.985 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.854 -5.370 13.493 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.620 -6.875 12.930 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.593 -6.888 14.384 1.00 0.00 H new ATOM 491 N VAL A 32 -9.851 -9.092 10.735 1.00 0.00 N ATOM 492 CA VAL A 32 -11.034 -9.802 10.280 1.00 0.00 C ATOM 493 C VAL A 32 -10.912 -11.281 10.652 1.00 0.00 C ATOM 494 O VAL A 32 -11.890 -11.905 11.060 1.00 0.00 O ATOM 495 CB VAL A 32 -11.235 -9.577 8.780 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.482 -10.308 8.279 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.307 -8.084 8.455 1.00 0.00 C ATOM 0 H VAL A 32 -9.300 -8.662 9.992 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.925 -9.415 10.775 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.372 -9.992 8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.602 -10.132 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.375 -11.377 8.461 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.359 -9.936 8.809 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.450 -7.952 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.143 -7.635 8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.379 -7.600 8.760 1.00 0.00 H new ATOM 507 N LEU A 33 -9.702 -11.798 10.498 1.00 0.00 N ATOM 508 CA LEU A 33 -9.439 -13.192 10.812 1.00 0.00 C ATOM 509 C LEU A 33 -9.433 -13.376 12.331 1.00 0.00 C ATOM 510 O LEU A 33 -9.594 -14.490 12.826 1.00 0.00 O ATOM 511 CB LEU A 33 -8.151 -13.661 10.131 1.00 0.00 C ATOM 512 CG LEU A 33 -8.220 -13.831 8.612 1.00 0.00 C ATOM 513 CD1 LEU A 33 -9.613 -14.286 8.173 1.00 0.00 C ATOM 514 CD2 LEU A 33 -7.784 -12.551 7.897 1.00 0.00 C ATOM 0 H LEU A 33 -8.893 -11.277 10.160 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.231 -13.827 10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.361 -12.947 10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.857 -14.614 10.571 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.520 -14.615 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.634 -14.399 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.848 -15.241 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.351 -13.542 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.842 -12.699 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.441 -11.731 8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.758 -12.310 8.175 1.00 0.00 H new ATOM 526 N GLY A 34 -9.245 -12.265 13.028 1.00 0.00 N ATOM 527 CA GLY A 34 -9.216 -12.290 14.481 1.00 0.00 C ATOM 528 C GLY A 34 -7.781 -12.408 14.999 1.00 0.00 C ATOM 529 O GLY A 34 -7.496 -13.233 15.866 1.00 0.00 O ATOM 0 H GLY A 34 -9.111 -11.342 12.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.674 -11.382 14.873 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.808 -13.129 14.846 1.00 0.00 H new ATOM 533 N HIS A 35 -6.915 -11.572 14.445 1.00 0.00 N ATOM 534 CA HIS A 35 -5.517 -11.573 14.840 1.00 0.00 C ATOM 535 C HIS A 35 -4.938 -10.165 14.682 1.00 0.00 C ATOM 536 O HIS A 35 -5.556 -9.302 14.060 1.00 0.00 O ATOM 537 CB HIS A 35 -4.732 -12.628 14.059 1.00 0.00 C ATOM 538 CG HIS A 35 -5.426 -13.966 13.966 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.226 -14.323 12.895 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.431 -15.028 14.822 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.686 -15.547 13.107 1.00 0.00 C ATOM 542 NE2 HIS A 35 -6.193 -15.982 14.302 1.00 0.00 N ATOM 0 H HIS A 35 -7.155 -10.889 13.726 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.433 -11.847 15.892 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.546 -12.256 13.051 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.760 -12.767 14.532 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.904 -15.083 15.763 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.337 -16.103 12.449 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -6.379 -16.891 14.726 1.00 0.00 H new ATOM 550 N ASP A 36 -3.758 -9.977 15.255 1.00 0.00 N ATOM 551 CA ASP A 36 -3.089 -8.689 15.185 1.00 0.00 C ATOM 552 C ASP A 36 -1.587 -8.910 15.000 1.00 0.00 C ATOM 553 O ASP A 36 -0.793 -8.570 15.876 1.00 0.00 O ATOM 554 CB ASP A 36 -3.295 -7.891 16.474 1.00 0.00 C ATOM 555 CG ASP A 36 -3.332 -8.729 17.754 1.00 0.00 C ATOM 556 OD1 ASP A 36 -4.353 -9.353 18.079 1.00 0.00 O ATOM 557 OD2 ASP A 36 -2.240 -8.724 18.441 1.00 0.00 O ATOM 0 H ASP A 36 -3.248 -10.695 15.770 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.511 -8.134 14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.494 -7.157 16.561 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.229 -7.335 16.394 1.00 0.00 H new ATOM 563 N ASP A 37 -1.241 -9.477 13.853 1.00 0.00 N ATOM 564 CA ASP A 37 0.152 -9.747 13.542 1.00 0.00 C ATOM 565 C ASP A 37 0.425 -9.376 12.083 1.00 0.00 C ATOM 566 O ASP A 37 0.725 -10.243 11.264 1.00 0.00 O ATOM 567 CB ASP A 37 0.480 -11.231 13.722 1.00 0.00 C ATOM 568 CG ASP A 37 -0.610 -12.054 14.410 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.741 -12.160 13.913 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.255 -12.611 15.518 1.00 0.00 O ATOM 0 H ASP A 37 -1.902 -9.757 13.128 1.00 0.00 H new ATOM 0 HA ASP A 37 0.769 -9.157 14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.679 -11.665 12.742 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.399 -11.317 14.301 1.00 0.00 H new ATOM 576 N PRO A 38 0.310 -8.052 11.795 1.00 0.00 N ATOM 577 CA PRO A 38 0.541 -7.555 10.450 1.00 0.00 C ATOM 578 C PRO A 38 2.035 -7.531 10.123 1.00 0.00 C ATOM 579 O PRO A 38 2.419 -7.487 8.955 1.00 0.00 O ATOM 580 CB PRO A 38 -0.095 -6.175 10.425 1.00 0.00 C ATOM 581 CG PRO A 38 -0.248 -5.760 11.879 1.00 0.00 C ATOM 582 CD PRO A 38 -0.043 -6.996 12.740 1.00 0.00 C ATOM 0 HA PRO A 38 0.102 -8.195 9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.530 -5.467 9.880 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -1.062 -6.200 9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.481 -4.991 12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.236 -5.333 12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.748 -6.841 13.474 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.947 -7.247 13.294 1.00 0.00 H new ATOM 590 N LYS A 39 2.839 -7.560 11.176 1.00 0.00 N ATOM 591 CA LYS A 39 4.283 -7.542 11.016 1.00 0.00 C ATOM 592 C LYS A 39 4.727 -8.813 10.289 1.00 0.00 C ATOM 593 O LYS A 39 5.791 -8.840 9.672 1.00 0.00 O ATOM 594 CB LYS A 39 4.969 -7.336 12.368 1.00 0.00 C ATOM 595 CG LYS A 39 5.983 -6.192 12.299 1.00 0.00 C ATOM 596 CD LYS A 39 5.503 -4.984 13.107 1.00 0.00 C ATOM 597 CE LYS A 39 6.050 -5.029 14.535 1.00 0.00 C ATOM 598 NZ LYS A 39 4.940 -5.095 15.513 1.00 0.00 N ATOM 0 H LYS A 39 2.518 -7.596 12.143 1.00 0.00 H new ATOM 0 HA LYS A 39 4.587 -6.697 10.398 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.221 -7.118 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.472 -8.255 12.669 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.946 -6.531 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.138 -5.901 11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.825 -4.064 12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.413 -4.968 13.131 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.700 -5.896 14.655 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.659 -4.145 14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.328 -5.125 16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.335 -4.255 15.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.376 -5.951 15.340 1.00 0.00 H new ATOM 611 N ALA A 40 3.890 -9.836 10.386 1.00 0.00 N ATOM 612 CA ALA A 40 4.183 -11.106 9.745 1.00 0.00 C ATOM 613 C ALA A 40 3.488 -11.158 8.383 1.00 0.00 C ATOM 614 O ALA A 40 3.548 -12.172 7.690 1.00 0.00 O ATOM 615 CB ALA A 40 3.753 -12.252 10.663 1.00 0.00 C ATOM 0 H ALA A 40 3.009 -9.811 10.899 1.00 0.00 H new ATOM 0 HA ALA A 40 5.254 -11.210 9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.973 -13.205 10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.297 -12.187 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.683 -12.181 10.856 1.00 0.00 H new ATOM 621 N VAL A 41 2.844 -10.052 8.041 1.00 0.00 N ATOM 622 CA VAL A 41 2.139 -9.958 6.774 1.00 0.00 C ATOM 623 C VAL A 41 2.697 -8.782 5.970 1.00 0.00 C ATOM 624 O VAL A 41 2.790 -7.666 6.478 1.00 0.00 O ATOM 625 CB VAL A 41 0.632 -9.852 7.021 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.136 -9.778 5.700 1.00 0.00 C ATOM 627 CG2 VAL A 41 0.134 -11.016 7.880 1.00 0.00 C ATOM 0 H VAL A 41 2.796 -9.213 8.619 1.00 0.00 H new ATOM 0 HA VAL A 41 2.296 -10.860 6.182 1.00 0.00 H new ATOM 0 HB VAL A 41 0.446 -8.928 7.569 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.204 -9.703 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.189 -8.902 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.060 -10.676 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.940 -10.917 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.339 -11.958 7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.647 -11.004 8.842 1.00 0.00 H new ATOM 637 N ARG A 42 3.053 -9.073 4.727 1.00 0.00 N ATOM 638 CA ARG A 42 3.600 -8.053 3.848 1.00 0.00 C ATOM 639 C ARG A 42 2.474 -7.199 3.261 1.00 0.00 C ATOM 640 O ARG A 42 1.311 -7.363 3.626 1.00 0.00 O ATOM 641 CB ARG A 42 4.401 -8.683 2.706 1.00 0.00 C ATOM 642 CG ARG A 42 3.595 -9.783 2.013 1.00 0.00 C ATOM 643 CD ARG A 42 4.268 -11.147 2.186 1.00 0.00 C ATOM 644 NE ARG A 42 4.283 -11.871 0.895 1.00 0.00 N ATOM 645 CZ ARG A 42 4.964 -13.016 0.678 1.00 0.00 C ATOM 646 NH1 ARG A 42 5.692 -13.578 1.666 1.00 0.00 N ATOM 647 NH2 ARG A 42 4.906 -13.579 -0.515 1.00 0.00 N ATOM 0 H ARG A 42 2.973 -10.000 4.308 1.00 0.00 H new ATOM 0 HA ARG A 42 4.265 -7.426 4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.673 -7.916 1.982 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.331 -9.098 3.095 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.587 -9.816 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.497 -9.554 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.287 -11.016 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.735 -11.733 2.935 1.00 0.00 H new ATOM 0 HE ARG A 42 3.745 -11.480 0.121 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.730 -13.137 2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.204 -14.443 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.353 -13.148 -1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.415 -14.444 -0.696 1.00 0.00 H new ATOM 660 N ALA A 43 2.859 -6.306 2.362 1.00 0.00 N ATOM 661 CA ALA A 43 1.896 -5.426 1.721 1.00 0.00 C ATOM 662 C ALA A 43 1.420 -6.064 0.415 1.00 0.00 C ATOM 663 O ALA A 43 0.354 -5.720 -0.095 1.00 0.00 O ATOM 664 CB ALA A 43 2.529 -4.050 1.502 1.00 0.00 C ATOM 0 H ALA A 43 3.825 -6.172 2.062 1.00 0.00 H new ATOM 0 HA ALA A 43 1.022 -5.285 2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.807 -3.390 1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.823 -3.628 2.463 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.408 -4.151 0.866 1.00 0.00 H new ATOM 670 N THR A 44 2.232 -6.980 -0.090 1.00 0.00 N ATOM 671 CA THR A 44 1.907 -7.669 -1.328 1.00 0.00 C ATOM 672 C THR A 44 1.440 -9.097 -1.037 1.00 0.00 C ATOM 673 O THR A 44 1.723 -10.014 -1.805 1.00 0.00 O ATOM 674 CB THR A 44 3.132 -7.604 -2.241 1.00 0.00 C ATOM 675 OG1 THR A 44 4.237 -7.738 -1.351 1.00 0.00 O ATOM 676 CG2 THR A 44 3.323 -6.221 -2.867 1.00 0.00 C ATOM 0 H THR A 44 3.115 -7.262 0.335 1.00 0.00 H new ATOM 0 HA THR A 44 1.075 -7.187 -1.842 1.00 0.00 H new ATOM 0 HB THR A 44 3.036 -8.350 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.073 -7.708 -1.861 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.206 -6.230 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.446 -5.967 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.453 -5.480 -2.079 1.00 0.00 H new ATOM 684 N THR A 45 0.734 -9.240 0.075 1.00 0.00 N ATOM 685 CA THR A 45 0.226 -10.540 0.477 1.00 0.00 C ATOM 686 C THR A 45 -1.128 -10.811 -0.182 1.00 0.00 C ATOM 687 O THR A 45 -1.897 -9.884 -0.431 1.00 0.00 O ATOM 688 CB THR A 45 0.176 -10.576 2.006 1.00 0.00 C ATOM 689 OG1 THR A 45 0.888 -11.762 2.349 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.237 -10.823 2.540 1.00 0.00 C ATOM 0 H THR A 45 0.502 -8.476 0.710 1.00 0.00 H new ATOM 0 HA THR A 45 0.882 -11.342 0.140 1.00 0.00 H new ATOM 0 HB THR A 45 0.555 -9.635 2.404 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.906 -11.863 3.324 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.216 -10.839 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.898 -10.026 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.604 -11.780 2.170 1.00 0.00 H new ATOM 698 N PRO A 46 -1.385 -12.119 -0.452 1.00 0.00 N ATOM 699 CA PRO A 46 -2.632 -12.523 -1.077 1.00 0.00 C ATOM 700 C PRO A 46 -3.790 -12.466 -0.078 1.00 0.00 C ATOM 701 O PRO A 46 -3.814 -13.222 0.892 1.00 0.00 O ATOM 702 CB PRO A 46 -2.372 -13.924 -1.606 1.00 0.00 C ATOM 703 CG PRO A 46 -1.151 -14.432 -0.856 1.00 0.00 C ATOM 704 CD PRO A 46 -0.497 -13.243 -0.171 1.00 0.00 C ATOM 0 HA PRO A 46 -2.932 -11.856 -1.885 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.232 -14.572 -1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.192 -13.909 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.440 -15.184 -0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.452 -14.909 -1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.397 -13.410 0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.505 -13.063 -0.561 1.00 0.00 H new ATOM 712 N PHE A 47 -4.721 -11.564 -0.350 1.00 0.00 N ATOM 713 CA PHE A 47 -5.878 -11.399 0.513 1.00 0.00 C ATOM 714 C PHE A 47 -6.727 -12.672 0.541 1.00 0.00 C ATOM 715 O PHE A 47 -7.310 -13.010 1.570 1.00 0.00 O ATOM 716 CB PHE A 47 -6.712 -10.256 -0.070 1.00 0.00 C ATOM 717 CG PHE A 47 -7.772 -10.710 -1.075 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.927 -11.279 -0.636 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.561 -10.545 -2.409 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.911 -11.701 -1.569 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.545 -10.966 -3.341 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.699 -11.535 -2.902 1.00 0.00 C ATOM 0 H PHE A 47 -4.698 -10.939 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.555 -11.188 1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.203 -9.725 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.045 -9.545 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.096 -11.410 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.644 -10.093 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.827 -12.154 -1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.377 -10.834 -4.400 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.447 -11.855 -3.612 1.00 0.00 H new ATOM 732 N LYS A 48 -6.769 -13.342 -0.601 1.00 0.00 N ATOM 733 CA LYS A 48 -7.537 -14.570 -0.721 1.00 0.00 C ATOM 734 C LYS A 48 -7.054 -15.572 0.330 1.00 0.00 C ATOM 735 O LYS A 48 -7.817 -16.431 0.769 1.00 0.00 O ATOM 736 CB LYS A 48 -7.475 -15.103 -2.153 1.00 0.00 C ATOM 737 CG LYS A 48 -8.639 -16.055 -2.434 1.00 0.00 C ATOM 738 CD LYS A 48 -8.274 -17.058 -3.531 1.00 0.00 C ATOM 739 CE LYS A 48 -8.891 -18.429 -3.246 1.00 0.00 C ATOM 740 NZ LYS A 48 -8.219 -19.476 -4.049 1.00 0.00 N ATOM 0 H LYS A 48 -6.284 -13.058 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.592 -14.381 -0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.503 -14.271 -2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.530 -15.622 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.905 -16.589 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.516 -15.483 -2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.624 -16.691 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.190 -17.150 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.801 -18.662 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.956 -18.411 -3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.649 -20.400 -3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.327 -19.260 -5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.208 -19.504 -3.807 1.00 0.00 H new ATOM 753 N GLU A 49 -5.791 -15.428 0.702 1.00 0.00 N ATOM 754 CA GLU A 49 -5.197 -16.311 1.692 1.00 0.00 C ATOM 755 C GLU A 49 -5.638 -15.901 3.099 1.00 0.00 C ATOM 756 O GLU A 49 -5.287 -16.558 4.079 1.00 0.00 O ATOM 757 CB GLU A 49 -3.672 -16.319 1.576 1.00 0.00 C ATOM 758 CG GLU A 49 -3.189 -17.529 0.774 1.00 0.00 C ATOM 759 CD GLU A 49 -3.081 -18.769 1.665 1.00 0.00 C ATOM 760 OE1 GLU A 49 -4.074 -19.490 1.847 1.00 0.00 O ATOM 761 OE2 GLU A 49 -1.915 -18.973 2.175 1.00 0.00 O ATOM 0 H GLU A 49 -5.162 -14.713 0.336 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.547 -17.326 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.336 -15.401 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.228 -16.337 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.879 -17.725 -0.046 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.218 -17.311 0.329 1.00 0.00 H new ATOM 769 N LEU A 50 -6.400 -14.819 3.155 1.00 0.00 N ATOM 770 CA LEU A 50 -6.892 -14.314 4.426 1.00 0.00 C ATOM 771 C LEU A 50 -8.375 -14.661 4.567 1.00 0.00 C ATOM 772 O LEU A 50 -9.131 -13.923 5.197 1.00 0.00 O ATOM 773 CB LEU A 50 -6.594 -12.820 4.560 1.00 0.00 C ATOM 774 CG LEU A 50 -5.224 -12.458 5.138 1.00 0.00 C ATOM 775 CD1 LEU A 50 -4.206 -12.210 4.023 1.00 0.00 C ATOM 776 CD2 LEU A 50 -5.329 -11.267 6.093 1.00 0.00 C ATOM 0 H LEU A 50 -6.689 -14.277 2.340 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.372 -14.794 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.683 -12.362 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.362 -12.372 5.190 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.864 -13.307 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.241 -11.955 4.461 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.103 -13.111 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.548 -11.388 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.342 -11.030 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.721 -10.403 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.000 -11.518 6.915 1.00 0.00 H new ATOM 788 N GLY A 51 -8.747 -15.784 3.971 1.00 0.00 N ATOM 789 CA GLY A 51 -10.127 -16.237 4.022 1.00 0.00 C ATOM 790 C GLY A 51 -11.094 -15.052 4.004 1.00 0.00 C ATOM 791 O GLY A 51 -11.709 -14.733 5.021 1.00 0.00 O ATOM 0 H GLY A 51 -8.117 -16.394 3.450 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.331 -16.890 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.287 -16.827 4.924 1.00 0.00 H new ATOM 795 N PHE A 52 -11.200 -14.433 2.838 1.00 0.00 N ATOM 796 CA PHE A 52 -12.082 -13.290 2.674 1.00 0.00 C ATOM 797 C PHE A 52 -13.175 -13.584 1.645 1.00 0.00 C ATOM 798 O PHE A 52 -12.888 -14.066 0.550 1.00 0.00 O ATOM 799 CB PHE A 52 -11.222 -12.130 2.170 1.00 0.00 C ATOM 800 CG PHE A 52 -10.698 -11.215 3.279 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.700 -11.643 4.570 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.230 -9.975 2.974 1.00 0.00 C ATOM 803 CE1 PHE A 52 -10.214 -10.795 5.600 1.00 0.00 C ATOM 804 CE2 PHE A 52 -9.744 -9.127 4.004 1.00 0.00 C ATOM 805 CZ PHE A 52 -9.746 -9.554 5.295 1.00 0.00 C ATOM 0 H PHE A 52 -10.689 -14.701 1.997 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.567 -13.055 3.622 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.375 -12.534 1.616 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.807 -11.535 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.071 -12.628 4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.228 -9.635 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.216 -11.135 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.373 -8.142 3.762 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.376 -8.909 6.078 1.00 0.00 H new ATOM 815 N ASP A 53 -14.405 -13.282 2.033 1.00 0.00 N ATOM 816 CA ASP A 53 -15.543 -13.508 1.157 1.00 0.00 C ATOM 817 C ASP A 53 -16.578 -12.403 1.377 1.00 0.00 C ATOM 818 O ASP A 53 -16.410 -11.556 2.253 1.00 0.00 O ATOM 819 CB ASP A 53 -16.213 -14.850 1.459 1.00 0.00 C ATOM 820 CG ASP A 53 -15.304 -16.073 1.317 1.00 0.00 C ATOM 821 OD1 ASP A 53 -14.692 -16.531 2.292 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.237 -16.566 0.126 1.00 0.00 O ATOM 0 H ASP A 53 -14.639 -12.883 2.942 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.182 -13.509 0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.604 -14.823 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -17.067 -14.971 0.792 1.00 0.00 H new ATOM 828 N SER A 54 -17.625 -12.448 0.567 1.00 0.00 N ATOM 829 CA SER A 54 -18.687 -11.461 0.662 1.00 0.00 C ATOM 830 C SER A 54 -18.972 -11.137 2.130 1.00 0.00 C ATOM 831 O SER A 54 -19.393 -10.029 2.455 1.00 0.00 O ATOM 832 CB SER A 54 -19.961 -11.953 -0.029 1.00 0.00 C ATOM 833 OG SER A 54 -19.686 -12.544 -1.296 1.00 0.00 O ATOM 0 H SER A 54 -17.761 -13.152 -0.158 1.00 0.00 H new ATOM 0 HA SER A 54 -18.357 -10.555 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.462 -12.681 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.648 -11.117 -0.160 1.00 0.00 H new ATOM 0 HG SER A 54 -20.524 -12.847 -1.704 1.00 0.00 H new ATOM 839 N LEU A 55 -18.729 -12.126 2.978 1.00 0.00 N ATOM 840 CA LEU A 55 -18.954 -11.961 4.404 1.00 0.00 C ATOM 841 C LEU A 55 -17.788 -11.179 5.013 1.00 0.00 C ATOM 842 O LEU A 55 -17.977 -10.080 5.532 1.00 0.00 O ATOM 843 CB LEU A 55 -19.197 -13.317 5.069 1.00 0.00 C ATOM 844 CG LEU A 55 -20.655 -13.778 5.137 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.796 -15.222 4.650 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.225 -13.590 6.544 1.00 0.00 C ATOM 0 H LEU A 55 -18.379 -13.044 2.705 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.858 -11.378 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.623 -14.071 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.801 -13.278 6.084 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.243 -13.152 4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.841 -15.525 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.455 -15.293 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.192 -15.878 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.262 -13.925 6.564 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.641 -14.175 7.254 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.179 -12.536 6.817 1.00 0.00 H new ATOM 858 N ALA A 56 -16.608 -11.776 4.927 1.00 0.00 N ATOM 859 CA ALA A 56 -15.411 -11.149 5.463 1.00 0.00 C ATOM 860 C ALA A 56 -15.227 -9.775 4.814 1.00 0.00 C ATOM 861 O ALA A 56 -14.860 -8.812 5.486 1.00 0.00 O ATOM 862 CB ALA A 56 -14.209 -12.067 5.236 1.00 0.00 C ATOM 0 H ALA A 56 -16.455 -12.687 4.494 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.505 -10.996 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.311 -11.597 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.377 -13.018 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.080 -12.241 4.168 1.00 0.00 H new ATOM 868 N ALA A 57 -15.490 -9.729 3.517 1.00 0.00 N ATOM 869 CA ALA A 57 -15.357 -8.489 2.770 1.00 0.00 C ATOM 870 C ALA A 57 -16.345 -7.459 3.321 1.00 0.00 C ATOM 871 O ALA A 57 -16.048 -6.266 3.357 1.00 0.00 O ATOM 872 CB ALA A 57 -15.572 -8.764 1.281 1.00 0.00 C ATOM 0 H ALA A 57 -15.795 -10.530 2.964 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.354 -8.078 2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.472 -7.834 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.827 -9.479 0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.570 -9.175 1.127 1.00 0.00 H new ATOM 878 N VAL A 58 -17.500 -7.957 3.737 1.00 0.00 N ATOM 879 CA VAL A 58 -18.533 -7.095 4.285 1.00 0.00 C ATOM 880 C VAL A 58 -18.100 -6.601 5.666 1.00 0.00 C ATOM 881 O VAL A 58 -18.296 -5.434 6.002 1.00 0.00 O ATOM 882 CB VAL A 58 -19.874 -7.833 4.306 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.709 -7.416 5.518 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.645 -7.607 3.004 1.00 0.00 C ATOM 0 H VAL A 58 -17.743 -8.947 3.706 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.671 -6.216 3.655 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.669 -8.900 4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.657 -7.954 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.166 -7.652 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.901 -6.344 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.594 -8.142 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.835 -6.542 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -20.057 -7.976 2.164 1.00 0.00 H new ATOM 894 N ARG A 59 -17.521 -7.515 6.431 1.00 0.00 N ATOM 895 CA ARG A 59 -17.058 -7.187 7.769 1.00 0.00 C ATOM 896 C ARG A 59 -15.759 -6.383 7.699 1.00 0.00 C ATOM 897 O ARG A 59 -15.442 -5.627 8.617 1.00 0.00 O ATOM 898 CB ARG A 59 -16.823 -8.453 8.596 1.00 0.00 C ATOM 899 CG ARG A 59 -17.761 -8.500 9.804 1.00 0.00 C ATOM 900 CD ARG A 59 -19.226 -8.493 9.361 1.00 0.00 C ATOM 901 NE ARG A 59 -20.063 -7.842 10.393 1.00 0.00 N ATOM 902 CZ ARG A 59 -20.408 -8.419 11.564 1.00 0.00 C ATOM 903 NH1 ARG A 59 -19.989 -9.668 11.861 1.00 0.00 N ATOM 904 NH2 ARG A 59 -21.161 -7.745 12.413 1.00 0.00 N ATOM 0 H ARG A 59 -17.362 -8.482 6.150 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.832 -6.590 8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.982 -9.333 7.973 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.787 -8.484 8.934 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.559 -9.396 10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.569 -7.645 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -19.325 -7.964 8.413 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -19.569 -9.514 9.194 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.401 -6.897 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -19.408 -10.182 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -20.254 -10.097 12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.474 -6.802 12.180 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.430 -8.167 13.302 1.00 0.00 H new ATOM 917 N LEU A 60 -15.041 -6.573 6.602 1.00 0.00 N ATOM 918 CA LEU A 60 -13.782 -5.875 6.401 1.00 0.00 C ATOM 919 C LEU A 60 -14.067 -4.433 5.976 1.00 0.00 C ATOM 920 O LEU A 60 -13.594 -3.490 6.610 1.00 0.00 O ATOM 921 CB LEU A 60 -12.895 -6.642 5.418 1.00 0.00 C ATOM 922 CG LEU A 60 -11.449 -6.156 5.300 1.00 0.00 C ATOM 923 CD1 LEU A 60 -11.238 -5.375 4.001 1.00 0.00 C ATOM 924 CD2 LEU A 60 -11.042 -5.343 6.530 1.00 0.00 C ATOM 0 H LEU A 60 -15.307 -7.200 5.843 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.219 -5.828 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.882 -7.691 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.355 -6.595 4.431 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.797 -7.029 5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.202 -5.041 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.461 -6.018 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.900 -4.509 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.010 -5.010 6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.695 -4.476 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.130 -5.964 7.422 1.00 0.00 H new ATOM 936 N ARG A 61 -14.838 -4.305 4.906 1.00 0.00 N ATOM 937 CA ARG A 61 -15.191 -2.994 4.390 1.00 0.00 C ATOM 938 C ARG A 61 -15.709 -2.101 5.519 1.00 0.00 C ATOM 939 O ARG A 61 -15.466 -0.895 5.523 1.00 0.00 O ATOM 940 CB ARG A 61 -16.261 -3.100 3.301 1.00 0.00 C ATOM 941 CG ARG A 61 -16.632 -1.718 2.760 1.00 0.00 C ATOM 942 CD ARG A 61 -16.161 -1.550 1.315 1.00 0.00 C ATOM 943 NE ARG A 61 -17.207 -0.872 0.517 1.00 0.00 N ATOM 944 CZ ARG A 61 -18.322 -1.480 0.057 1.00 0.00 C ATOM 945 NH1 ARG A 61 -18.544 -2.787 0.312 1.00 0.00 N ATOM 946 NH2 ARG A 61 -19.190 -0.777 -0.646 1.00 0.00 N ATOM 0 H ARG A 61 -15.228 -5.088 4.382 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.292 -2.555 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.896 -3.727 2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.149 -3.587 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.712 -1.581 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.182 -0.946 3.385 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.239 -0.969 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.936 -2.524 0.882 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.078 0.116 0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.867 -3.323 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.388 -3.239 -0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.014 0.210 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.037 -1.221 -1.001 1.00 0.00 H new ATOM 959 N ASN A 62 -16.415 -2.727 6.449 1.00 0.00 N ATOM 960 CA ASN A 62 -16.969 -2.004 7.581 1.00 0.00 C ATOM 961 C ASN A 62 -15.834 -1.340 8.363 1.00 0.00 C ATOM 962 O ASN A 62 -15.997 -0.240 8.888 1.00 0.00 O ATOM 963 CB ASN A 62 -17.707 -2.949 8.531 1.00 0.00 C ATOM 964 CG ASN A 62 -19.214 -2.929 8.264 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.978 -2.244 8.924 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.596 -3.715 7.261 1.00 0.00 N ATOM 0 H ASN A 62 -16.616 -3.727 6.442 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.668 -1.261 7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.326 -3.963 8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.513 -2.657 9.563 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.581 -3.770 7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.904 -4.262 6.750 1.00 0.00 H new ATOM 973 N LEU A 63 -14.708 -2.037 8.415 1.00 0.00 N ATOM 974 CA LEU A 63 -13.546 -1.529 9.124 1.00 0.00 C ATOM 975 C LEU A 63 -12.804 -0.532 8.231 1.00 0.00 C ATOM 976 O LEU A 63 -12.384 0.528 8.692 1.00 0.00 O ATOM 977 CB LEU A 63 -12.671 -2.684 9.615 1.00 0.00 C ATOM 978 CG LEU A 63 -12.027 -2.500 10.991 1.00 0.00 C ATOM 979 CD1 LEU A 63 -11.562 -3.841 11.562 1.00 0.00 C ATOM 980 CD2 LEU A 63 -10.891 -1.477 10.933 1.00 0.00 C ATOM 0 H LEU A 63 -14.576 -2.949 7.978 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.853 -0.988 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.278 -3.589 9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.879 -2.850 8.884 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.782 -2.104 11.671 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.108 -3.682 12.540 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.417 -4.510 11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.829 -4.288 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.451 -1.365 11.924 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.128 -1.819 10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.283 -0.516 10.600 1.00 0.00 H new ATOM 992 N LEU A 64 -12.666 -0.908 6.968 1.00 0.00 N ATOM 993 CA LEU A 64 -11.982 -0.060 6.005 1.00 0.00 C ATOM 994 C LEU A 64 -12.547 1.359 6.091 1.00 0.00 C ATOM 995 O LEU A 64 -11.824 2.332 5.880 1.00 0.00 O ATOM 996 CB LEU A 64 -12.061 -0.669 4.604 1.00 0.00 C ATOM 997 CG LEU A 64 -11.447 -2.062 4.443 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.876 -2.250 3.036 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.401 -2.329 5.527 1.00 0.00 C ATOM 0 H LEU A 64 -13.016 -1.788 6.589 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.920 0.004 6.240 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.109 -0.719 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.566 0.007 3.907 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.238 -2.801 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.446 -3.248 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.673 -2.132 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.102 -1.504 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.981 -3.325 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.606 -1.587 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.870 -2.266 6.509 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.833 1.433 6.401 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.502 2.717 6.518 1.00 0.00 C ATOM 1013 C ASN A 65 -13.726 3.606 7.491 1.00 0.00 C ATOM 1014 O ASN A 65 -13.802 4.831 7.415 1.00 0.00 O ATOM 1015 CB ASN A 65 -15.923 2.550 7.061 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.866 2.025 5.976 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.435 0.951 6.079 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.000 2.841 4.934 1.00 0.00 N ATOM 0 H ASN A 65 -14.429 0.624 6.575 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.545 3.166 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.915 1.861 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.289 3.507 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.608 2.581 4.158 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.494 3.727 4.911 1.00 0.00 H new ATOM 1025 N ALA A 66 -12.995 2.954 8.384 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.205 3.670 9.371 1.00 0.00 C ATOM 1027 C ALA A 66 -10.917 4.174 8.718 1.00 0.00 C ATOM 1028 O ALA A 66 -10.335 5.161 9.166 1.00 0.00 O ATOM 1029 CB ALA A 66 -11.934 2.756 10.568 1.00 0.00 C ATOM 0 H ALA A 66 -12.933 1.938 8.444 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.748 4.539 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.341 3.293 11.309 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.880 2.450 11.013 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.387 1.874 10.236 1.00 0.00 H new ATOM 1035 N ALA A 67 -10.508 3.473 7.671 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.299 3.838 6.952 1.00 0.00 C ATOM 1037 C ALA A 67 -9.620 4.954 5.956 1.00 0.00 C ATOM 1038 O ALA A 67 -8.721 5.654 5.493 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.717 2.597 6.271 1.00 0.00 C ATOM 0 H ALA A 67 -10.992 2.654 7.303 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.543 4.218 7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.810 2.870 5.731 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.479 1.846 7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.447 2.190 5.571 1.00 0.00 H new ATOM 1045 N THR A 68 -10.904 5.084 5.655 1.00 0.00 N ATOM 1046 CA THR A 68 -11.354 6.103 4.722 1.00 0.00 C ATOM 1047 C THR A 68 -12.556 6.857 5.295 1.00 0.00 C ATOM 1048 O THR A 68 -12.426 8.000 5.730 1.00 0.00 O ATOM 1049 CB THR A 68 -11.646 5.422 3.383 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.219 4.170 3.748 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.370 5.042 2.629 1.00 0.00 C ATOM 0 H THR A 68 -11.647 4.501 6.041 1.00 0.00 H new ATOM 0 HA THR A 68 -10.584 6.857 4.559 1.00 0.00 H new ATOM 0 HB THR A 68 -12.250 6.084 2.763 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.053 4.034 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.634 4.562 1.686 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.785 5.940 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.781 4.353 3.234 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.698 6.186 5.277 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.922 6.779 5.789 1.00 0.00 C ATOM 1061 C GLY A 69 -15.856 7.182 4.647 1.00 0.00 C ATOM 1062 O GLY A 69 -16.826 7.907 4.860 1.00 0.00 O ATOM 0 H GLY A 69 -13.802 5.238 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.428 6.069 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.681 7.654 6.393 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.530 6.694 3.459 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.328 6.995 2.282 1.00 0.00 C ATOM 1068 C LEU A 70 -17.067 5.732 1.836 1.00 0.00 C ATOM 1069 O LEU A 70 -17.159 4.763 2.589 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.457 7.616 1.188 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.320 6.741 0.658 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.777 5.921 -0.550 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.081 7.582 0.345 1.00 0.00 C ATOM 0 H LEU A 70 -14.725 6.093 3.286 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.086 7.743 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.100 7.888 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.028 8.540 1.574 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.040 6.034 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.950 5.308 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.607 5.277 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.100 6.593 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.288 6.935 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.329 8.328 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.743 8.083 1.252 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.575 5.782 0.613 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.303 4.654 0.058 1.00 0.00 C ATOM 1087 C ARG A 71 -17.359 3.758 -0.748 1.00 0.00 C ATOM 1088 O ARG A 71 -17.389 3.767 -1.978 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.443 5.126 -0.847 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.735 5.311 -0.048 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.574 4.032 -0.057 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.491 4.020 1.105 1.00 0.00 N ATOM 1093 CZ ARG A 71 -23.609 4.771 1.193 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.959 5.602 0.188 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -24.356 4.681 2.278 1.00 0.00 N ATOM 0 H ARG A 71 -17.497 6.587 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.724 4.089 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.168 6.067 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.604 4.400 -1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -20.495 5.585 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -21.314 6.132 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -22.146 3.969 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.922 3.159 -0.025 1.00 0.00 H new ATOM 0 HE ARG A 71 -22.264 3.406 1.887 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.377 5.666 -0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -24.806 6.166 0.264 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -24.085 4.051 3.033 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -25.204 5.241 2.361 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.544 3.007 -0.022 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.594 2.108 -0.654 1.00 0.00 C ATOM 1110 C LEU A 72 -16.334 1.198 -1.636 1.00 0.00 C ATOM 1111 O LEU A 72 -17.550 1.037 -1.543 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.792 1.347 0.404 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.654 2.123 1.069 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.751 1.188 1.876 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.865 2.932 0.038 1.00 0.00 C ATOM 0 H LEU A 72 -16.522 3.003 0.998 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.862 2.672 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.479 1.012 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.374 0.453 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.091 2.834 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.950 1.765 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.338 0.695 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.321 0.436 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.062 3.474 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.440 2.258 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.530 3.642 -0.454 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.550 0.613 -2.581 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.119 -0.276 -3.579 1.00 0.00 C ATOM 1129 C PRO A 73 -16.461 -1.637 -2.970 1.00 0.00 C ATOM 1130 O PRO A 73 -15.824 -2.071 -2.012 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.067 -0.363 -4.673 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.766 0.103 -4.039 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.107 0.781 -2.722 1.00 0.00 C ATOM 0 HA PRO A 73 -17.063 0.092 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.976 -1.383 -5.047 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.334 0.265 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.098 -0.742 -3.872 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.245 0.795 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.572 0.322 -1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.831 1.835 -2.736 1.00 0.00 H new ATOM 1141 N SER A 74 -17.467 -2.274 -3.552 1.00 0.00 N ATOM 1142 CA SER A 74 -17.902 -3.577 -3.079 1.00 0.00 C ATOM 1143 C SER A 74 -16.972 -4.666 -3.616 1.00 0.00 C ATOM 1144 O SER A 74 -16.922 -5.768 -3.072 1.00 0.00 O ATOM 1145 CB SER A 74 -19.347 -3.860 -3.496 1.00 0.00 C ATOM 1146 OG SER A 74 -20.210 -2.762 -3.213 1.00 0.00 O ATOM 0 H SER A 74 -17.993 -1.912 -4.347 1.00 0.00 H new ATOM 0 HA SER A 74 -17.860 -3.577 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.380 -4.081 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.707 -4.747 -2.976 1.00 0.00 H new ATOM 0 HG SER A 74 -21.122 -2.982 -3.495 1.00 0.00 H new ATOM 1152 N THR A 75 -16.256 -4.319 -4.676 1.00 0.00 N ATOM 1153 CA THR A 75 -15.330 -5.254 -5.291 1.00 0.00 C ATOM 1154 C THR A 75 -13.941 -5.120 -4.664 1.00 0.00 C ATOM 1155 O THR A 75 -13.023 -5.859 -5.016 1.00 0.00 O ATOM 1156 CB THR A 75 -15.341 -5.005 -6.801 1.00 0.00 C ATOM 1157 OG1 THR A 75 -15.076 -3.611 -6.925 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.733 -5.176 -7.412 1.00 0.00 C ATOM 0 H THR A 75 -16.299 -3.404 -5.124 1.00 0.00 H new ATOM 0 HA THR A 75 -15.634 -6.286 -5.114 1.00 0.00 H new ATOM 0 HB THR A 75 -14.645 -5.689 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.063 -3.363 -7.873 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.685 -4.988 -8.485 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.085 -6.193 -7.237 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.422 -4.469 -6.950 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.831 -4.171 -3.745 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.570 -3.931 -3.065 1.00 0.00 C ATOM 1168 C LEU A 76 -11.911 -5.271 -2.732 1.00 0.00 C ATOM 1169 O LEU A 76 -10.743 -5.489 -3.052 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.781 -3.030 -1.847 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.518 -2.629 -1.082 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.615 -1.186 -0.582 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.231 -3.612 0.055 1.00 0.00 C ATOM 0 H LEU A 76 -14.595 -3.560 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.883 -3.391 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.287 -2.122 -2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.454 -3.538 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.673 -2.675 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.705 -0.926 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.737 -0.514 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.472 -1.089 0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.328 -3.304 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.072 -3.621 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.088 -4.612 -0.356 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.688 -6.134 -2.094 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.195 -7.447 -1.714 1.00 0.00 C ATOM 1187 C VAL A 77 -12.419 -8.424 -2.870 1.00 0.00 C ATOM 1188 O VAL A 77 -12.868 -9.549 -2.657 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.859 -7.898 -0.412 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.347 -9.275 0.015 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.648 -6.866 0.698 1.00 0.00 C ATOM 0 H VAL A 77 -13.656 -5.949 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.123 -7.412 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.931 -7.980 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.835 -9.573 0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.572 -10.004 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.269 -9.230 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.130 -7.211 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.581 -6.737 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.083 -5.913 0.396 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.094 -7.960 -4.067 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.254 -8.779 -5.257 1.00 0.00 C ATOM 1203 C PHE A 78 -11.308 -8.322 -6.369 1.00 0.00 C ATOM 1204 O PHE A 78 -10.718 -9.147 -7.065 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.699 -8.605 -5.729 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.502 -9.907 -5.766 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -14.252 -10.834 -6.729 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.468 -10.136 -4.835 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.998 -12.042 -6.763 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -16.214 -11.344 -4.870 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.963 -12.271 -5.832 1.00 0.00 C ATOM 0 H PHE A 78 -11.720 -7.027 -4.239 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.024 -9.819 -5.026 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.203 -7.898 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.694 -8.164 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.486 -10.652 -7.468 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.667 -9.400 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.799 -12.778 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.981 -11.526 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 78 -16.530 -13.190 -5.857 1.00 0.00 H new ATOM 1221 N ASP A 79 -11.192 -7.009 -6.501 1.00 0.00 N ATOM 1222 CA ASP A 79 -10.327 -6.432 -7.516 1.00 0.00 C ATOM 1223 C ASP A 79 -8.973 -6.089 -6.892 1.00 0.00 C ATOM 1224 O ASP A 79 -8.101 -5.534 -7.559 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.927 -5.144 -8.083 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.859 -5.014 -9.606 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -9.798 -4.718 -10.175 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.971 -5.234 -10.222 1.00 0.00 O ATOM 0 H ASP A 79 -11.683 -6.328 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.215 -7.161 -8.318 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.970 -5.081 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.411 -4.294 -7.638 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.840 -6.433 -5.620 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.607 -6.169 -4.898 1.00 0.00 C ATOM 1236 C HIS A 80 -6.818 -7.469 -4.736 1.00 0.00 C ATOM 1237 O HIS A 80 -7.198 -8.336 -3.950 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.896 -5.480 -3.563 1.00 0.00 C ATOM 1239 CG HIS A 80 -8.085 -6.434 -2.408 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -9.014 -7.459 -2.427 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -7.455 -6.508 -1.201 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.939 -8.114 -1.278 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.972 -7.523 -0.519 1.00 0.00 N ATOM 0 H HIS A 80 -9.566 -6.893 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.987 -5.478 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.075 -4.802 -3.330 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.793 -4.870 -3.667 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.649 -7.674 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.669 -5.852 -0.858 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.538 -8.966 -0.992 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.705 -7.567 -5.511 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.859 -8.748 -5.461 1.00 0.00 C ATOM 1253 C PRO A 81 -4.014 -8.762 -4.186 1.00 0.00 C ATOM 1254 O PRO A 81 -3.433 -9.788 -3.834 1.00 0.00 O ATOM 1255 CB PRO A 81 -4.022 -8.686 -6.728 1.00 0.00 C ATOM 1256 CG PRO A 81 -4.095 -7.245 -7.207 1.00 0.00 C ATOM 1257 CD PRO A 81 -5.224 -6.561 -6.453 1.00 0.00 C ATOM 0 HA PRO A 81 -5.431 -9.675 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.991 -8.980 -6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.408 -9.369 -7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.150 -6.734 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.276 -7.208 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.871 -5.670 -5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.016 -6.242 -7.130 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.971 -7.613 -3.529 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.206 -7.480 -2.301 1.00 0.00 C ATOM 1267 C ASN A 82 -3.711 -6.266 -1.519 1.00 0.00 C ATOM 1268 O ASN A 82 -4.584 -5.539 -1.990 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.720 -7.268 -2.597 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.192 -8.342 -3.550 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.878 -9.454 -3.160 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.112 -7.949 -4.818 1.00 0.00 N ATOM 0 H ASN A 82 -4.454 -6.764 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.331 -8.397 -1.725 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.570 -6.282 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.153 -7.292 -1.666 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.771 -8.594 -5.531 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.391 -7.003 -5.077 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.139 -6.083 -0.338 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.520 -4.969 0.513 1.00 0.00 C ATOM 1281 C ALA A 83 -2.981 -3.668 -0.085 1.00 0.00 C ATOM 1282 O ALA A 83 -3.719 -2.694 -0.227 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.007 -5.214 1.934 1.00 0.00 C ATOM 0 H ALA A 83 -2.415 -6.688 0.049 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.605 -4.882 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.293 -4.378 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.442 -6.134 2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.921 -5.304 1.918 1.00 0.00 H new ATOM 1289 N SER A 84 -1.699 -3.694 -0.420 1.00 0.00 N ATOM 1290 CA SER A 84 -1.053 -2.528 -0.999 1.00 0.00 C ATOM 1291 C SER A 84 -1.968 -1.890 -2.046 1.00 0.00 C ATOM 1292 O SER A 84 -1.933 -0.677 -2.250 1.00 0.00 O ATOM 1293 CB SER A 84 0.292 -2.899 -1.625 1.00 0.00 C ATOM 1294 OG SER A 84 1.295 -1.924 -1.352 1.00 0.00 O ATOM 0 H SER A 84 -1.090 -4.504 -0.302 1.00 0.00 H new ATOM 0 HA SER A 84 -0.866 -1.808 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.615 -3.868 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.173 -3.005 -2.703 1.00 0.00 H new ATOM 0 HG SER A 84 2.139 -2.198 -1.767 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.765 -2.735 -2.683 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.688 -2.268 -3.704 1.00 0.00 C ATOM 1302 C ALA A 85 -4.805 -1.458 -3.044 1.00 0.00 C ATOM 1303 O ALA A 85 -5.085 -0.332 -3.453 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.223 -3.464 -4.494 1.00 0.00 C ATOM 0 H ALA A 85 -2.791 -3.740 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.179 -1.612 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.915 -3.114 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.393 -3.988 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.743 -4.143 -3.818 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.414 -2.063 -2.035 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.495 -1.412 -1.314 1.00 0.00 C ATOM 1312 C VAL A 86 -6.027 -0.036 -0.836 1.00 0.00 C ATOM 1313 O VAL A 86 -6.732 0.957 -1.005 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.978 -2.309 -0.173 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.941 -1.555 0.747 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.623 -3.586 -0.715 1.00 0.00 C ATOM 0 H VAL A 86 -5.180 -2.997 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.351 -1.255 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.109 -2.598 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.269 -2.215 1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.434 -0.690 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.806 -1.222 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.958 -4.206 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.477 -3.325 -1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.894 -4.138 -1.309 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.839 -0.021 -0.248 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.269 1.216 0.256 1.00 0.00 C ATOM 1328 C ALA A 87 -4.405 2.307 -0.809 1.00 0.00 C ATOM 1329 O ALA A 87 -4.795 3.432 -0.503 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.813 0.979 0.664 1.00 0.00 C ATOM 0 H ALA A 87 -4.256 -0.847 -0.110 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.806 1.552 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.385 1.908 1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.773 0.217 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.243 0.643 -0.202 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.077 1.934 -2.037 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.158 2.866 -3.149 1.00 0.00 C ATOM 1338 C GLY A 88 -5.605 3.290 -3.404 1.00 0.00 C ATOM 1339 O GLY A 88 -5.951 4.460 -3.243 1.00 0.00 O ATOM 0 H GLY A 88 -3.755 0.999 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.550 3.745 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.747 2.404 -4.046 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.413 2.317 -3.798 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.816 2.575 -4.077 1.00 0.00 C ATOM 1345 C PHE A 89 -8.419 3.515 -3.031 1.00 0.00 C ATOM 1346 O PHE A 89 -9.284 4.330 -3.350 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.539 1.228 -4.012 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.345 0.894 -5.269 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.556 1.476 -5.476 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.849 0.014 -6.180 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.304 1.166 -6.642 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -9.597 -0.296 -7.347 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.808 0.287 -7.554 1.00 0.00 C ATOM 0 H PHE A 89 -6.123 1.348 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.921 3.047 -5.054 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.804 0.441 -3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.209 1.228 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.949 2.175 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.887 -0.449 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.267 1.628 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.204 -0.995 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.376 0.052 -8.442 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.938 3.371 -1.805 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.419 4.197 -0.711 1.00 0.00 C ATOM 1365 C LEU A 90 -7.755 5.574 -0.787 1.00 0.00 C ATOM 1366 O LEU A 90 -8.426 6.598 -0.663 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.211 3.488 0.628 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.264 2.444 1.006 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.718 1.654 -0.224 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -8.754 1.527 2.119 1.00 0.00 C ATOM 0 H LEU A 90 -7.220 2.695 -1.545 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.494 4.355 -0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.236 3.001 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.177 4.242 1.414 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.138 2.966 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.466 0.919 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.150 2.337 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.862 1.143 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.522 0.795 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.856 1.010 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.520 2.122 3.002 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.446 5.554 -0.991 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.685 6.787 -1.086 1.00 0.00 C ATOM 1384 C ASP A 91 -6.263 7.654 -2.206 1.00 0.00 C ATOM 1385 O ASP A 91 -6.486 8.850 -2.018 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.218 6.505 -1.417 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.222 7.528 -0.866 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.395 8.054 0.244 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.221 7.785 -1.638 1.00 0.00 O ATOM 0 H ASP A 91 -5.893 4.703 -1.093 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.747 7.295 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.957 5.520 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.108 6.460 -2.500 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.491 7.019 -3.346 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.039 7.717 -4.496 1.00 0.00 C ATOM 1397 C ALA A 92 -8.432 8.248 -4.148 1.00 0.00 C ATOM 1398 O ALA A 92 -8.829 9.313 -4.618 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.058 6.777 -5.703 1.00 0.00 C ATOM 0 H ALA A 92 -6.306 6.027 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.416 8.572 -4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.469 7.301 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.042 6.451 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.676 5.908 -5.478 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.135 7.480 -3.329 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.474 7.860 -2.913 1.00 0.00 C ATOM 1407 C GLU A 93 -10.411 8.996 -1.891 1.00 0.00 C ATOM 1408 O GLU A 93 -11.356 9.773 -1.761 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.235 6.658 -2.349 1.00 0.00 C ATOM 1410 CG GLU A 93 -11.638 5.692 -3.466 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.088 5.926 -3.895 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -13.366 6.866 -4.655 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.942 5.088 -3.412 1.00 0.00 O ATOM 0 H GLU A 93 -8.803 6.597 -2.942 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.017 8.215 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.613 6.138 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.125 7.001 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.976 5.823 -4.322 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.517 4.664 -3.124 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.288 9.058 -1.191 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.089 10.087 -0.184 1.00 0.00 C ATOM 1423 C LEU A 94 -8.473 11.324 -0.840 1.00 0.00 C ATOM 1424 O LEU A 94 -8.605 12.434 -0.327 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.270 9.539 0.987 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.023 8.643 1.972 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.059 7.723 2.724 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.882 9.476 2.925 1.00 0.00 C ATOM 0 H LEU A 94 -8.506 8.412 -1.301 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.044 10.394 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.429 8.975 0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.853 10.382 1.539 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.700 8.005 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.620 7.097 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.529 7.091 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.340 8.325 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.406 8.814 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.244 10.156 3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.608 10.052 2.351 1.00 0.00 H new ATOM 1440 N GLY A 95 -7.813 11.091 -1.965 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.176 12.173 -2.697 1.00 0.00 C ATOM 1442 C GLY A 95 -8.192 12.922 -3.562 1.00 0.00 C ATOM 1443 O GLY A 95 -8.020 14.107 -3.841 1.00 0.00 O ATOM 0 H GLY A 95 -7.705 10.169 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.709 12.865 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.382 11.773 -3.327 1.00 0.00 H new