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 96:sc= -2.59! USER MOD Single : A 27 THR OG1 : rot 88:sc= 0.452 USER MOD Single : A 28 SER OG : rot 167:sc= -1.48! USER MOD Single : A 29 THR OG1 : rot 89:sc= 1.22 USER MOD Single : A 31 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 35 HIS : no HD1:sc=-0.00204 X(o=-0.002,f=-0.00016) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 45 THR OG1 : rot -160:sc= -0.208 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= 1.02 K(o=1,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= -1.45 K(o=-1.4,f=-4.6!) USER MOD Single : A 68 THR OG1 : rot 130:sc= 0.12 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.046 USER MOD Single : A 80 HIS : no HE2:sc= -12.7! C(o=-13!,f=-18!) USER MOD Single : A 82 ASN : amide:sc= -8.69! C(o=-8.7!,f=-16!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.388 12.321 1.247 1.00 0.00 N ATOM 201 CA ARG A 14 -0.297 11.224 0.585 1.00 0.00 C ATOM 202 C ARG A 14 0.418 9.902 0.870 1.00 0.00 C ATOM 203 O ARG A 14 -0.226 8.873 1.066 1.00 0.00 O ATOM 204 CB ARG A 14 -0.358 11.446 -0.928 1.00 0.00 C ATOM 205 CG ARG A 14 -1.762 11.165 -1.467 1.00 0.00 C ATOM 206 CD ARG A 14 -2.501 12.468 -1.779 1.00 0.00 C ATOM 207 NE ARG A 14 -3.282 12.902 -0.599 1.00 0.00 N ATOM 208 CZ ARG A 14 -4.014 14.036 -0.551 1.00 0.00 C ATOM 209 NH1 ARG A 14 -4.072 14.860 -1.619 1.00 0.00 N ATOM 210 NH2 ARG A 14 -4.672 14.326 0.556 1.00 0.00 N ATOM 0 HA ARG A 14 -1.313 11.183 0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.074 12.472 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.363 10.796 -1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.694 10.556 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.328 10.588 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.787 13.243 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.165 12.324 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.266 12.308 0.230 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.561 14.628 -2.471 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.627 15.714 -1.574 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.623 13.698 1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.230 15.178 0.609 1.00 0.00 H new ATOM 223 N ALA A 15 1.741 9.973 0.886 1.00 0.00 N ATOM 224 CA ALA A 15 2.551 8.795 1.145 1.00 0.00 C ATOM 225 C ALA A 15 2.181 8.217 2.513 1.00 0.00 C ATOM 226 O ALA A 15 1.568 7.154 2.596 1.00 0.00 O ATOM 227 CB ALA A 15 4.033 9.162 1.048 1.00 0.00 C ATOM 0 H ALA A 15 2.272 10.828 0.724 1.00 0.00 H new ATOM 0 HA ALA A 15 2.357 8.025 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.640 8.278 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.250 9.539 0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.266 9.931 1.784 1.00 0.00 H new ATOM 233 N GLU A 16 2.570 8.943 3.550 1.00 0.00 N ATOM 234 CA GLU A 16 2.288 8.517 4.910 1.00 0.00 C ATOM 235 C GLU A 16 0.852 7.998 5.016 1.00 0.00 C ATOM 236 O GLU A 16 0.604 6.970 5.644 1.00 0.00 O ATOM 237 CB GLU A 16 2.535 9.653 5.904 1.00 0.00 C ATOM 238 CG GLU A 16 2.721 9.110 7.322 1.00 0.00 C ATOM 239 CD GLU A 16 3.897 8.134 7.386 1.00 0.00 C ATOM 240 OE1 GLU A 16 4.870 8.285 6.632 1.00 0.00 O ATOM 241 OE2 GLU A 16 3.777 7.191 8.259 1.00 0.00 O ATOM 0 H GLU A 16 3.078 9.824 3.476 1.00 0.00 H new ATOM 0 HA GLU A 16 2.968 7.704 5.163 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.421 10.215 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.695 10.348 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.892 9.936 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.809 8.608 7.645 1.00 0.00 H new ATOM 249 N ARG A 17 -0.056 8.734 4.393 1.00 0.00 N ATOM 250 CA ARG A 17 -1.461 8.362 4.409 1.00 0.00 C ATOM 251 C ARG A 17 -1.641 6.946 3.858 1.00 0.00 C ATOM 252 O ARG A 17 -2.213 6.085 4.524 1.00 0.00 O ATOM 253 CB ARG A 17 -2.299 9.336 3.578 1.00 0.00 C ATOM 254 CG ARG A 17 -3.777 8.941 3.596 1.00 0.00 C ATOM 255 CD ARG A 17 -4.532 9.696 4.692 1.00 0.00 C ATOM 256 NE ARG A 17 -5.757 8.953 5.065 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.430 9.136 6.221 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.001 10.039 7.128 1.00 0.00 N ATOM 259 NH2 ARG A 17 -7.513 8.417 6.452 1.00 0.00 N ATOM 0 H ARG A 17 0.153 9.587 3.874 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.802 8.399 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.184 10.346 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.935 9.350 2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.226 9.155 2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.868 7.867 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.892 9.822 5.566 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.794 10.695 4.343 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.115 8.260 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.162 10.589 6.942 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.515 10.171 7.999 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.830 7.736 5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.033 8.543 7.320 1.00 0.00 H new ATOM 272 N THR A 18 -1.142 6.749 2.647 1.00 0.00 N ATOM 273 CA THR A 18 -1.241 5.452 1.998 1.00 0.00 C ATOM 274 C THR A 18 -0.628 4.365 2.884 1.00 0.00 C ATOM 275 O THR A 18 -1.201 3.288 3.036 1.00 0.00 O ATOM 276 CB THR A 18 -0.580 5.560 0.623 1.00 0.00 C ATOM 277 OG1 THR A 18 -1.475 6.374 -0.130 1.00 0.00 O ATOM 278 CG2 THR A 18 -0.569 4.226 -0.128 1.00 0.00 C ATOM 0 H THR A 18 -0.668 7.466 2.098 1.00 0.00 H new ATOM 0 HA THR A 18 -2.281 5.160 1.852 1.00 0.00 H new ATOM 0 HB THR A 18 0.442 5.920 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.170 7.305 -0.105 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.089 4.358 -1.098 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.017 3.486 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.593 3.882 -0.274 1.00 0.00 H new ATOM 286 N ALA A 19 0.529 4.687 3.445 1.00 0.00 N ATOM 287 CA ALA A 19 1.225 3.751 4.311 1.00 0.00 C ATOM 288 C ALA A 19 0.501 3.671 5.656 1.00 0.00 C ATOM 289 O ALA A 19 0.712 2.735 6.425 1.00 0.00 O ATOM 290 CB ALA A 19 2.685 4.183 4.460 1.00 0.00 C ATOM 0 H ALA A 19 1.001 5.582 3.317 1.00 0.00 H new ATOM 0 HA ALA A 19 1.223 2.752 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.208 3.481 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.163 4.195 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.726 5.181 4.896 1.00 0.00 H new ATOM 296 N GLU A 20 -0.340 4.666 5.899 1.00 0.00 N ATOM 297 CA GLU A 20 -1.097 4.721 7.138 1.00 0.00 C ATOM 298 C GLU A 20 -2.383 3.902 7.010 1.00 0.00 C ATOM 299 O GLU A 20 -2.810 3.257 7.966 1.00 0.00 O ATOM 300 CB GLU A 20 -1.404 6.167 7.530 1.00 0.00 C ATOM 301 CG GLU A 20 -2.311 6.221 8.761 1.00 0.00 C ATOM 302 CD GLU A 20 -1.847 7.305 9.737 1.00 0.00 C ATOM 303 OE1 GLU A 20 -0.666 7.334 10.115 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.762 8.137 10.103 1.00 0.00 O ATOM 0 H GLU A 20 -0.514 5.441 5.259 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.490 4.286 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.474 6.697 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.885 6.679 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.337 6.420 8.452 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.310 5.252 9.261 1.00 0.00 H new ATOM 312 N LEU A 21 -2.965 3.956 5.821 1.00 0.00 N ATOM 313 CA LEU A 21 -4.194 3.228 5.556 1.00 0.00 C ATOM 314 C LEU A 21 -3.874 1.742 5.382 1.00 0.00 C ATOM 315 O LEU A 21 -4.621 0.884 5.849 1.00 0.00 O ATOM 316 CB LEU A 21 -4.934 3.841 4.365 1.00 0.00 C ATOM 317 CG LEU A 21 -6.254 4.545 4.686 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.014 5.994 5.113 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.227 4.448 3.509 1.00 0.00 C ATOM 0 H LEU A 21 -2.608 4.493 5.030 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.876 3.311 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.271 4.558 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.133 3.051 3.641 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.717 4.034 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.969 6.471 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.384 6.012 6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.518 6.534 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.157 4.956 3.763 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.784 4.919 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.434 3.400 3.293 1.00 0.00 H new ATOM 331 N VAL A 22 -2.763 1.484 4.709 1.00 0.00 N ATOM 332 CA VAL A 22 -2.335 0.116 4.467 1.00 0.00 C ATOM 333 C VAL A 22 -2.046 -0.567 5.805 1.00 0.00 C ATOM 334 O VAL A 22 -2.438 -1.713 6.019 1.00 0.00 O ATOM 335 CB VAL A 22 -1.135 0.103 3.518 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.181 0.054 4.298 1.00 0.00 C ATOM 337 CG2 VAL A 22 -1.230 -1.060 2.530 1.00 0.00 C ATOM 0 H VAL A 22 -2.146 2.199 4.323 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.126 -0.451 3.976 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.151 1.031 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.018 0.046 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.255 0.930 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.209 -0.849 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.365 -1.046 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.252 -2.002 3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.141 -0.962 1.940 1.00 0.00 H new ATOM 347 N ARG A 23 -1.363 0.166 6.672 1.00 0.00 N ATOM 348 CA ARG A 23 -1.017 -0.355 7.984 1.00 0.00 C ATOM 349 C ARG A 23 -2.277 -0.811 8.723 1.00 0.00 C ATOM 350 O ARG A 23 -2.283 -1.867 9.354 1.00 0.00 O ATOM 351 CB ARG A 23 -0.295 0.701 8.823 1.00 0.00 C ATOM 352 CG ARG A 23 1.221 0.603 8.643 1.00 0.00 C ATOM 353 CD ARG A 23 1.939 0.662 9.992 1.00 0.00 C ATOM 354 NE ARG A 23 2.981 -0.387 10.058 1.00 0.00 N ATOM 355 CZ ARG A 23 2.723 -1.699 10.248 1.00 0.00 C ATOM 356 NH1 ARG A 23 1.453 -2.134 10.392 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.731 -2.550 10.290 1.00 0.00 N ATOM 0 H ARG A 23 -1.040 1.117 6.492 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.350 -1.205 7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.635 1.695 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.549 0.571 9.875 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.471 -0.328 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.568 1.417 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.391 1.644 10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.222 0.525 10.801 1.00 0.00 H new ATOM 0 HE ARG A 23 3.955 -0.101 9.953 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.679 -1.470 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.267 -3.127 10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.688 -2.213 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.553 -3.544 10.433 1.00 0.00 H new ATOM 370 N LEU A 24 -3.313 0.009 8.621 1.00 0.00 N ATOM 371 CA LEU A 24 -4.576 -0.297 9.272 1.00 0.00 C ATOM 372 C LEU A 24 -5.292 -1.401 8.493 1.00 0.00 C ATOM 373 O LEU A 24 -5.896 -2.293 9.087 1.00 0.00 O ATOM 374 CB LEU A 24 -5.410 0.974 9.446 1.00 0.00 C ATOM 375 CG LEU A 24 -6.339 1.005 10.661 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.596 2.443 11.118 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.640 0.253 10.376 1.00 0.00 C ATOM 0 H LEU A 24 -3.304 0.884 8.098 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.404 -0.678 10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.731 1.824 9.511 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.013 1.115 8.549 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.843 0.489 11.483 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.259 2.437 11.983 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.651 2.913 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.061 3.005 10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.282 0.290 11.256 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.152 0.718 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.415 -0.786 10.135 1.00 0.00 H new ATOM 389 N VAL A 25 -5.201 -1.306 7.174 1.00 0.00 N ATOM 390 CA VAL A 25 -5.834 -2.286 6.308 1.00 0.00 C ATOM 391 C VAL A 25 -5.216 -3.661 6.565 1.00 0.00 C ATOM 392 O VAL A 25 -5.839 -4.686 6.293 1.00 0.00 O ATOM 393 CB VAL A 25 -5.720 -1.843 4.847 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.826 -3.041 3.902 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.773 -0.785 4.512 1.00 0.00 C ATOM 0 H VAL A 25 -4.699 -0.566 6.685 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.899 -2.361 6.530 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.737 -1.393 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.742 -2.699 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.023 -3.746 4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.788 -3.532 4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.670 -0.487 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.768 -1.198 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.631 0.085 5.153 1.00 0.00 H new ATOM 405 N ARG A 26 -3.998 -3.640 7.086 1.00 0.00 N ATOM 406 CA ARG A 26 -3.289 -4.873 7.383 1.00 0.00 C ATOM 407 C ARG A 26 -3.784 -5.465 8.704 1.00 0.00 C ATOM 408 O ARG A 26 -4.065 -6.660 8.786 1.00 0.00 O ATOM 409 CB ARG A 26 -1.780 -4.633 7.473 1.00 0.00 C ATOM 410 CG ARG A 26 -1.088 -4.992 6.157 1.00 0.00 C ATOM 411 CD ARG A 26 -0.529 -6.416 6.203 1.00 0.00 C ATOM 412 NE ARG A 26 -1.638 -7.394 6.269 1.00 0.00 N ATOM 413 CZ ARG A 26 -2.378 -7.773 5.205 1.00 0.00 C ATOM 414 NH1 ARG A 26 -2.131 -7.258 3.981 1.00 0.00 N ATOM 415 NH2 ARG A 26 -3.345 -8.654 5.379 1.00 0.00 N ATOM 0 H ARG A 26 -3.484 -2.788 7.310 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.486 -5.573 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.588 -3.588 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.361 -5.230 8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.796 -4.902 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.280 -4.286 5.962 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.081 -6.605 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.121 -6.532 7.070 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.857 -7.808 7.175 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.381 -6.578 3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.694 -7.549 3.182 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.524 -9.038 6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.913 -8.951 4.586 1.00 0.00 H new ATOM 428 N THR A 27 -3.875 -4.602 9.705 1.00 0.00 N ATOM 429 CA THR A 27 -4.332 -5.025 11.018 1.00 0.00 C ATOM 430 C THR A 27 -5.817 -5.391 10.975 1.00 0.00 C ATOM 431 O THR A 27 -6.255 -6.306 11.670 1.00 0.00 O ATOM 432 CB THR A 27 -4.010 -3.907 12.013 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.655 -3.569 11.729 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.975 -4.404 13.460 1.00 0.00 C ATOM 0 H THR A 27 -3.640 -3.612 9.633 1.00 0.00 H new ATOM 0 HA THR A 27 -3.817 -5.929 11.343 1.00 0.00 H new ATOM 0 HB THR A 27 -4.751 -3.113 11.920 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.629 -2.882 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.743 -3.572 14.125 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.947 -4.820 13.725 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.211 -5.174 13.562 1.00 0.00 H new ATOM 442 N SER A 28 -6.550 -4.656 10.151 1.00 0.00 N ATOM 443 CA SER A 28 -7.977 -4.892 10.007 1.00 0.00 C ATOM 444 C SER A 28 -8.219 -6.249 9.344 1.00 0.00 C ATOM 445 O SER A 28 -8.951 -7.083 9.877 1.00 0.00 O ATOM 446 CB SER A 28 -8.640 -3.778 9.194 1.00 0.00 C ATOM 447 OG SER A 28 -9.226 -2.784 10.030 1.00 0.00 O ATOM 0 H SER A 28 -6.183 -3.897 9.577 1.00 0.00 H new ATOM 0 HA SER A 28 -8.425 -4.896 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.899 -3.314 8.543 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.407 -4.207 8.549 1.00 0.00 H new ATOM 0 HG SER A 28 -9.451 -1.996 9.493 1.00 0.00 H new ATOM 453 N THR A 29 -7.590 -6.430 8.192 1.00 0.00 N ATOM 454 CA THR A 29 -7.728 -7.672 7.451 1.00 0.00 C ATOM 455 C THR A 29 -7.509 -8.872 8.375 1.00 0.00 C ATOM 456 O THR A 29 -8.408 -9.691 8.558 1.00 0.00 O ATOM 457 CB THR A 29 -6.755 -7.629 6.271 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.280 -6.609 5.425 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.820 -8.894 5.412 1.00 0.00 C ATOM 0 H THR A 29 -6.983 -5.737 7.754 1.00 0.00 H new ATOM 0 HA THR A 29 -8.737 -7.786 7.055 1.00 0.00 H new ATOM 0 HB THR A 29 -5.739 -7.494 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.902 -5.743 5.684 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.110 -8.812 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.569 -9.762 6.022 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.827 -9.011 5.012 1.00 0.00 H new ATOM 467 N ALA A 30 -6.309 -8.937 8.933 1.00 0.00 N ATOM 468 CA ALA A 30 -5.961 -10.022 9.834 1.00 0.00 C ATOM 469 C ALA A 30 -6.973 -10.074 10.980 1.00 0.00 C ATOM 470 O ALA A 30 -7.339 -11.153 11.442 1.00 0.00 O ATOM 471 CB ALA A 30 -4.527 -9.833 10.331 1.00 0.00 C ATOM 0 H ALA A 30 -5.566 -8.256 8.778 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.003 -10.979 9.315 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.266 -10.647 11.007 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.844 -9.834 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.447 -8.883 10.859 1.00 0.00 H new ATOM 477 N THR A 31 -7.398 -8.893 11.405 1.00 0.00 N ATOM 478 CA THR A 31 -8.361 -8.790 12.488 1.00 0.00 C ATOM 479 C THR A 31 -9.705 -9.388 12.066 1.00 0.00 C ATOM 480 O THR A 31 -10.380 -10.033 12.866 1.00 0.00 O ATOM 481 CB THR A 31 -8.454 -7.319 12.899 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.290 -7.107 13.693 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.614 -7.052 13.860 1.00 0.00 C ATOM 0 H THR A 31 -7.093 -8.000 11.019 1.00 0.00 H new ATOM 0 HA THR A 31 -8.042 -9.367 13.356 1.00 0.00 H new ATOM 0 HB THR A 31 -8.570 -6.700 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.564 -6.773 13.126 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.635 -5.994 14.120 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.554 -7.327 13.381 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.481 -7.645 14.765 1.00 0.00 H new ATOM 491 N VAL A 32 -10.052 -9.154 10.809 1.00 0.00 N ATOM 492 CA VAL A 32 -11.302 -9.662 10.270 1.00 0.00 C ATOM 493 C VAL A 32 -11.294 -11.190 10.330 1.00 0.00 C ATOM 494 O VAL A 32 -12.300 -11.807 10.677 1.00 0.00 O ATOM 495 CB VAL A 32 -11.522 -9.119 8.857 1.00 0.00 C ATOM 496 CG1 VAL A 32 -12.910 -9.497 8.335 1.00 0.00 C ATOM 497 CG2 VAL A 32 -11.313 -7.604 8.812 1.00 0.00 C ATOM 0 H VAL A 32 -9.489 -8.619 10.148 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.145 -9.318 10.870 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.781 -9.578 8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -13.041 -9.099 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -13.007 -10.582 8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.672 -9.079 8.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.476 -7.244 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.019 -7.119 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.295 -7.368 9.122 1.00 0.00 H new ATOM 507 N LEU A 33 -10.148 -11.758 9.985 1.00 0.00 N ATOM 508 CA LEU A 33 -9.995 -13.203 9.995 1.00 0.00 C ATOM 509 C LEU A 33 -10.030 -13.706 11.440 1.00 0.00 C ATOM 510 O LEU A 33 -10.327 -14.873 11.688 1.00 0.00 O ATOM 511 CB LEU A 33 -8.735 -13.614 9.231 1.00 0.00 C ATOM 512 CG LEU A 33 -8.619 -13.090 7.798 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.165 -13.111 7.322 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.542 -13.865 6.854 1.00 0.00 C ATOM 0 H LEU A 33 -9.316 -11.243 9.697 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.826 -13.677 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.866 -13.273 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.690 -14.703 9.204 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.946 -12.050 7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.111 -12.734 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.560 -12.481 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.787 -14.133 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.440 -13.473 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.269 -14.920 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.575 -13.755 7.184 1.00 0.00 H new ATOM 526 N GLY A 34 -9.721 -12.799 12.355 1.00 0.00 N ATOM 527 CA GLY A 34 -9.712 -13.136 13.769 1.00 0.00 C ATOM 528 C GLY A 34 -8.304 -13.512 14.235 1.00 0.00 C ATOM 529 O GLY A 34 -8.130 -14.469 14.987 1.00 0.00 O ATOM 0 H GLY A 34 -9.475 -11.832 12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.077 -12.289 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.393 -13.967 13.953 1.00 0.00 H new ATOM 533 N HIS A 35 -7.335 -12.738 13.768 1.00 0.00 N ATOM 534 CA HIS A 35 -5.948 -12.977 14.127 1.00 0.00 C ATOM 535 C HIS A 35 -5.246 -11.642 14.383 1.00 0.00 C ATOM 536 O HIS A 35 -5.267 -10.753 13.533 1.00 0.00 O ATOM 537 CB HIS A 35 -5.248 -13.821 13.060 1.00 0.00 C ATOM 538 CG HIS A 35 -5.598 -15.289 13.110 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.160 -15.962 12.039 1.00 0.00 N ATOM 540 CD2 HIS A 35 -5.459 -16.204 14.111 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.348 -17.225 12.392 1.00 0.00 C ATOM 542 NE2 HIS A 35 -5.913 -17.373 13.676 1.00 0.00 N ATOM 0 H HIS A 35 -7.483 -11.945 13.144 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.902 -13.554 15.051 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.506 -13.430 12.076 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.170 -13.711 13.174 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.049 -16.011 15.091 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.771 -18.001 11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.933 -18.240 14.214 1.00 0.00 H new ATOM 550 N ASP A 36 -4.640 -11.543 15.557 1.00 0.00 N ATOM 551 CA ASP A 36 -3.933 -10.331 15.935 1.00 0.00 C ATOM 552 C ASP A 36 -2.428 -10.551 15.768 1.00 0.00 C ATOM 553 O ASP A 36 -1.681 -10.518 16.744 1.00 0.00 O ATOM 554 CB ASP A 36 -4.199 -9.972 17.398 1.00 0.00 C ATOM 555 CG ASP A 36 -5.612 -9.466 17.693 1.00 0.00 C ATOM 556 OD1 ASP A 36 -6.284 -9.949 18.617 1.00 0.00 O ATOM 557 OD2 ASP A 36 -6.027 -8.522 16.918 1.00 0.00 O ATOM 0 H ASP A 36 -4.624 -12.283 16.259 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.285 -9.522 15.295 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.009 -10.852 18.013 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.484 -9.208 17.705 1.00 0.00 H new ATOM 563 N ASP A 37 -2.029 -10.770 14.523 1.00 0.00 N ATOM 564 CA ASP A 37 -0.627 -10.996 14.216 1.00 0.00 C ATOM 565 C ASP A 37 -0.353 -10.578 12.770 1.00 0.00 C ATOM 566 O ASP A 37 -0.539 -11.369 11.846 1.00 0.00 O ATOM 567 CB ASP A 37 -0.263 -12.475 14.358 1.00 0.00 C ATOM 568 CG ASP A 37 -1.422 -13.450 14.144 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.587 -14.016 13.054 1.00 0.00 O ATOM 570 OD2 ASP A 37 -2.185 -13.622 15.170 1.00 0.00 O ATOM 0 H ASP A 37 -2.652 -10.796 13.716 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.030 -10.410 14.914 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.526 -12.710 13.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.150 -12.638 15.354 1.00 0.00 H new ATOM 576 N PRO A 38 0.096 -9.304 12.614 1.00 0.00 N ATOM 577 CA PRO A 38 0.398 -8.772 11.296 1.00 0.00 C ATOM 578 C PRO A 38 1.716 -9.339 10.765 1.00 0.00 C ATOM 579 O PRO A 38 1.947 -9.354 9.557 1.00 0.00 O ATOM 580 CB PRO A 38 0.431 -7.264 11.479 1.00 0.00 C ATOM 581 CG PRO A 38 0.608 -7.028 12.970 1.00 0.00 C ATOM 582 CD PRO A 38 0.329 -8.340 13.686 1.00 0.00 C ATOM 0 HA PRO A 38 -0.344 -9.053 10.549 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.250 -6.820 10.914 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.490 -6.807 11.118 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.620 -6.684 13.185 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.073 -6.251 13.317 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.172 -8.638 14.310 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.539 -8.258 14.340 1.00 0.00 H new ATOM 590 N LYS A 39 2.546 -9.791 11.693 1.00 0.00 N ATOM 591 CA LYS A 39 3.835 -10.358 11.333 1.00 0.00 C ATOM 592 C LYS A 39 3.617 -11.620 10.497 1.00 0.00 C ATOM 593 O LYS A 39 4.531 -12.085 9.818 1.00 0.00 O ATOM 594 CB LYS A 39 4.687 -10.588 12.583 1.00 0.00 C ATOM 595 CG LYS A 39 5.668 -9.433 12.798 1.00 0.00 C ATOM 596 CD LYS A 39 7.115 -9.919 12.705 1.00 0.00 C ATOM 597 CE LYS A 39 8.048 -9.025 13.525 1.00 0.00 C ATOM 598 NZ LYS A 39 8.429 -9.696 14.789 1.00 0.00 N ATOM 0 H LYS A 39 2.351 -9.776 12.694 1.00 0.00 H new ATOM 0 HA LYS A 39 4.399 -9.659 10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.040 -10.688 13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.237 -11.524 12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.492 -8.658 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.494 -8.981 13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.181 -10.946 13.064 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.434 -9.925 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.942 -8.793 12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.555 -8.078 13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.062 -9.076 15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.575 -9.895 15.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.918 -10.588 14.575 1.00 0.00 H new ATOM 611 N ALA A 40 2.400 -12.139 10.574 1.00 0.00 N ATOM 612 CA ALA A 40 2.050 -13.339 9.832 1.00 0.00 C ATOM 613 C ALA A 40 1.369 -12.942 8.521 1.00 0.00 C ATOM 614 O ALA A 40 0.524 -13.676 8.010 1.00 0.00 O ATOM 615 CB ALA A 40 1.166 -14.237 10.700 1.00 0.00 C ATOM 0 H ALA A 40 1.644 -11.751 11.138 1.00 0.00 H new ATOM 0 HA ALA A 40 2.944 -13.909 9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.904 -15.137 10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.707 -14.515 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.257 -13.700 10.971 1.00 0.00 H new ATOM 621 N VAL A 41 1.762 -11.783 8.014 1.00 0.00 N ATOM 622 CA VAL A 41 1.200 -11.280 6.772 1.00 0.00 C ATOM 623 C VAL A 41 1.988 -10.048 6.322 1.00 0.00 C ATOM 624 O VAL A 41 2.549 -9.330 7.149 1.00 0.00 O ATOM 625 CB VAL A 41 -0.294 -11.003 6.949 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.522 -9.729 7.765 1.00 0.00 C ATOM 627 CG2 VAL A 41 -1.000 -10.920 5.594 1.00 0.00 C ATOM 0 H VAL A 41 2.463 -11.178 8.441 1.00 0.00 H new ATOM 0 HA VAL A 41 1.287 -12.027 5.983 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.727 -11.837 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.592 -9.555 7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.068 -9.842 8.750 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.068 -8.882 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.061 -10.722 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.563 -10.114 5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.880 -11.864 5.063 1.00 0.00 H new ATOM 637 N ARG A 42 2.005 -9.841 5.014 1.00 0.00 N ATOM 638 CA ARG A 42 2.715 -8.708 4.445 1.00 0.00 C ATOM 639 C ARG A 42 1.732 -7.757 3.758 1.00 0.00 C ATOM 640 O ARG A 42 0.534 -8.030 3.703 1.00 0.00 O ATOM 641 CB ARG A 42 3.762 -9.169 3.429 1.00 0.00 C ATOM 642 CG ARG A 42 5.146 -9.265 4.075 1.00 0.00 C ATOM 643 CD ARG A 42 6.251 -9.146 3.024 1.00 0.00 C ATOM 644 NE ARG A 42 6.478 -10.458 2.377 1.00 0.00 N ATOM 645 CZ ARG A 42 7.583 -10.770 1.666 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.572 -9.867 1.505 1.00 0.00 N ATOM 647 NH2 ARG A 42 7.680 -11.973 1.131 1.00 0.00 N ATOM 0 H ARG A 42 1.539 -10.439 4.332 1.00 0.00 H new ATOM 0 HA ARG A 42 3.219 -8.189 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.478 -10.140 3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.795 -8.471 2.592 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.260 -8.476 4.818 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.241 -10.215 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.973 -8.405 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.172 -8.797 3.491 1.00 0.00 H new ATOM 0 HE ARG A 42 5.755 -11.171 2.474 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.489 -8.940 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.403 -10.111 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.927 -12.650 1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.508 -12.226 0.591 1.00 0.00 H new ATOM 660 N ALA A 43 2.277 -6.661 3.251 1.00 0.00 N ATOM 661 CA ALA A 43 1.463 -5.668 2.570 1.00 0.00 C ATOM 662 C ALA A 43 1.247 -6.100 1.118 1.00 0.00 C ATOM 663 O ALA A 43 0.281 -5.685 0.480 1.00 0.00 O ATOM 664 CB ALA A 43 2.135 -4.297 2.676 1.00 0.00 C ATOM 0 H ALA A 43 3.271 -6.439 3.298 1.00 0.00 H new ATOM 0 HA ALA A 43 0.483 -5.588 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.525 -3.552 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.239 -4.023 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.121 -4.338 2.212 1.00 0.00 H new ATOM 670 N THR A 44 2.163 -6.929 0.639 1.00 0.00 N ATOM 671 CA THR A 44 2.085 -7.422 -0.726 1.00 0.00 C ATOM 672 C THR A 44 1.613 -8.877 -0.741 1.00 0.00 C ATOM 673 O THR A 44 2.008 -9.653 -1.610 1.00 0.00 O ATOM 674 CB THR A 44 3.453 -7.220 -1.381 1.00 0.00 C ATOM 675 OG1 THR A 44 4.383 -7.549 -0.352 1.00 0.00 O ATOM 676 CG2 THR A 44 3.744 -5.749 -1.688 1.00 0.00 C ATOM 0 H THR A 44 2.963 -7.272 1.171 1.00 0.00 H new ATOM 0 HA THR A 44 1.347 -6.868 -1.305 1.00 0.00 H new ATOM 0 HB THR A 44 3.503 -7.800 -2.302 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.297 -7.447 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.727 -5.662 -2.152 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.986 -5.363 -2.369 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.727 -5.174 -0.762 1.00 0.00 H new ATOM 684 N THR A 45 0.775 -9.204 0.231 1.00 0.00 N ATOM 685 CA THR A 45 0.245 -10.552 0.341 1.00 0.00 C ATOM 686 C THR A 45 -1.132 -10.639 -0.320 1.00 0.00 C ATOM 687 O THR A 45 -1.895 -9.675 -0.304 1.00 0.00 O ATOM 688 CB THR A 45 0.233 -10.937 1.822 1.00 0.00 C ATOM 689 OG1 THR A 45 1.580 -11.317 2.093 1.00 0.00 O ATOM 690 CG2 THR A 45 -0.574 -12.208 2.090 1.00 0.00 C ATOM 0 H THR A 45 0.450 -8.558 0.950 1.00 0.00 H new ATOM 0 HA THR A 45 0.872 -11.268 -0.190 1.00 0.00 H new ATOM 0 HB THR A 45 -0.180 -10.115 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.608 -11.868 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.550 -12.436 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.606 -12.057 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.142 -13.038 1.531 1.00 0.00 H new ATOM 698 N PRO A 46 -1.416 -11.836 -0.901 1.00 0.00 N ATOM 699 CA PRO A 46 -2.687 -12.062 -1.567 1.00 0.00 C ATOM 700 C PRO A 46 -3.813 -12.250 -0.548 1.00 0.00 C ATOM 701 O PRO A 46 -3.676 -13.022 0.399 1.00 0.00 O ATOM 702 CB PRO A 46 -2.463 -13.287 -2.438 1.00 0.00 C ATOM 703 CG PRO A 46 -1.228 -13.975 -1.880 1.00 0.00 C ATOM 704 CD PRO A 46 -0.537 -13.001 -0.940 1.00 0.00 C ATOM 0 HA PRO A 46 -3.002 -11.212 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.327 -13.951 -2.408 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.315 -13.004 -3.480 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.505 -14.886 -1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.557 -14.268 -2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.408 -13.433 0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.456 -12.736 -1.304 1.00 0.00 H new ATOM 712 N PHE A 47 -4.902 -11.531 -0.779 1.00 0.00 N ATOM 713 CA PHE A 47 -6.052 -11.610 0.107 1.00 0.00 C ATOM 714 C PHE A 47 -6.745 -12.968 -0.014 1.00 0.00 C ATOM 715 O PHE A 47 -7.057 -13.601 0.994 1.00 0.00 O ATOM 716 CB PHE A 47 -7.026 -10.512 -0.326 1.00 0.00 C ATOM 717 CG PHE A 47 -7.779 -10.825 -1.621 1.00 0.00 C ATOM 718 CD1 PHE A 47 -8.902 -11.590 -1.587 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.325 -10.336 -2.806 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.601 -11.880 -2.788 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.024 -10.626 -4.008 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.147 -11.392 -3.974 1.00 0.00 C ATOM 0 H PHE A 47 -5.013 -10.892 -1.566 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.734 -11.486 1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.750 -10.347 0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.474 -9.581 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.263 -11.977 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.433 -9.727 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.493 -12.488 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.663 -10.238 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.678 -11.613 -4.888 1.00 0.00 H new ATOM 732 N LYS A 48 -6.967 -13.375 -1.255 1.00 0.00 N ATOM 733 CA LYS A 48 -7.618 -14.647 -1.520 1.00 0.00 C ATOM 734 C LYS A 48 -6.811 -15.773 -0.871 1.00 0.00 C ATOM 735 O LYS A 48 -7.315 -16.882 -0.697 1.00 0.00 O ATOM 736 CB LYS A 48 -7.836 -14.834 -3.023 1.00 0.00 C ATOM 737 CG LYS A 48 -9.292 -15.192 -3.325 1.00 0.00 C ATOM 738 CD LYS A 48 -9.588 -15.067 -4.821 1.00 0.00 C ATOM 739 CE LYS A 48 -11.031 -15.472 -5.130 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.433 -14.978 -6.466 1.00 0.00 N ATOM 0 H LYS A 48 -6.708 -12.847 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.611 -14.667 -1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.566 -13.919 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.180 -15.621 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.496 -16.210 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.956 -14.535 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.417 -14.040 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.901 -15.697 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.126 -16.557 -5.093 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.699 -15.067 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.415 -15.261 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.361 -13.941 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.806 -15.384 -7.189 1.00 0.00 H new ATOM 753 N GLU A 49 -5.572 -15.450 -0.531 1.00 0.00 N ATOM 754 CA GLU A 49 -4.691 -16.421 0.096 1.00 0.00 C ATOM 755 C GLU A 49 -4.968 -16.498 1.598 1.00 0.00 C ATOM 756 O GLU A 49 -4.930 -17.578 2.186 1.00 0.00 O ATOM 757 CB GLU A 49 -3.223 -16.084 -0.175 1.00 0.00 C ATOM 758 CG GLU A 49 -2.332 -16.555 0.976 1.00 0.00 C ATOM 759 CD GLU A 49 -2.489 -18.058 1.212 1.00 0.00 C ATOM 760 OE1 GLU A 49 -2.580 -18.831 0.247 1.00 0.00 O ATOM 761 OE2 GLU A 49 -2.514 -18.416 2.451 1.00 0.00 O ATOM 0 H GLU A 49 -5.157 -14.530 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.892 -17.399 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.903 -16.556 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.112 -15.008 -0.309 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.290 -16.326 0.751 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.589 -16.012 1.885 1.00 0.00 H new ATOM 769 N LEU A 50 -5.241 -15.337 2.177 1.00 0.00 N ATOM 770 CA LEU A 50 -5.524 -15.259 3.600 1.00 0.00 C ATOM 771 C LEU A 50 -7.027 -15.438 3.827 1.00 0.00 C ATOM 772 O LEU A 50 -7.469 -15.622 4.960 1.00 0.00 O ATOM 773 CB LEU A 50 -4.964 -13.963 4.188 1.00 0.00 C ATOM 774 CG LEU A 50 -5.536 -12.664 3.615 1.00 0.00 C ATOM 775 CD1 LEU A 50 -6.841 -12.284 4.317 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.503 -11.537 3.674 1.00 0.00 C ATOM 0 H LEU A 50 -5.272 -14.443 1.686 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.022 -16.066 4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.139 -13.970 5.264 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.884 -13.957 4.041 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.772 -12.828 2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.227 -11.358 3.891 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.573 -13.079 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.654 -12.144 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.935 -10.626 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.213 -11.364 4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.625 -11.818 3.093 1.00 0.00 H new ATOM 788 N GLY A 51 -7.770 -15.379 2.732 1.00 0.00 N ATOM 789 CA GLY A 51 -9.213 -15.532 2.797 1.00 0.00 C ATOM 790 C GLY A 51 -9.903 -14.174 2.941 1.00 0.00 C ATOM 791 O GLY A 51 -9.689 -13.466 3.924 1.00 0.00 O ATOM 0 H GLY A 51 -7.399 -15.227 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.570 -16.032 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.477 -16.169 3.641 1.00 0.00 H new ATOM 795 N PHE A 52 -10.716 -13.851 1.946 1.00 0.00 N ATOM 796 CA PHE A 52 -11.438 -12.590 1.949 1.00 0.00 C ATOM 797 C PHE A 52 -12.328 -12.465 0.711 1.00 0.00 C ATOM 798 O PHE A 52 -11.853 -12.598 -0.416 1.00 0.00 O ATOM 799 CB PHE A 52 -10.391 -11.475 1.924 1.00 0.00 C ATOM 800 CG PHE A 52 -10.493 -10.499 3.098 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.920 -10.938 4.312 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.157 -9.192 2.927 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.015 -10.033 5.402 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.252 -8.286 4.017 1.00 0.00 C ATOM 805 CZ PHE A 52 -10.679 -8.726 5.231 1.00 0.00 C ATOM 0 H PHE A 52 -10.891 -14.441 1.132 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.076 -12.529 2.830 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -9.398 -11.923 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.490 -10.918 0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.187 -11.976 4.447 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -9.818 -8.843 1.963 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.354 -10.382 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.985 -7.248 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.751 -8.037 6.060 1.00 0.00 H new ATOM 815 N ASP A 53 -13.604 -12.211 0.962 1.00 0.00 N ATOM 816 CA ASP A 53 -14.565 -12.067 -0.119 1.00 0.00 C ATOM 817 C ASP A 53 -15.683 -11.120 0.322 1.00 0.00 C ATOM 818 O ASP A 53 -15.639 -10.572 1.423 1.00 0.00 O ATOM 819 CB ASP A 53 -15.199 -13.413 -0.475 1.00 0.00 C ATOM 820 CG ASP A 53 -14.226 -14.464 -1.013 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.925 -14.500 -2.215 1.00 0.00 O ATOM 822 OD2 ASP A 53 -13.762 -15.281 -0.129 1.00 0.00 O ATOM 0 H ASP A 53 -13.995 -12.101 1.898 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.038 -11.675 -0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.688 -13.813 0.413 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.977 -13.245 -1.219 1.00 0.00 H new ATOM 828 N SER A 54 -16.658 -10.956 -0.560 1.00 0.00 N ATOM 829 CA SER A 54 -17.785 -10.085 -0.275 1.00 0.00 C ATOM 830 C SER A 54 -18.166 -10.187 1.203 1.00 0.00 C ATOM 831 O SER A 54 -18.614 -9.210 1.801 1.00 0.00 O ATOM 832 CB SER A 54 -18.986 -10.432 -1.158 1.00 0.00 C ATOM 833 OG SER A 54 -18.727 -10.179 -2.536 1.00 0.00 O ATOM 0 H SER A 54 -16.691 -11.412 -1.472 1.00 0.00 H new ATOM 0 HA SER A 54 -17.489 -9.060 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.242 -11.483 -1.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.851 -9.850 -0.839 1.00 0.00 H new ATOM 0 HG SER A 54 -19.517 -10.415 -3.066 1.00 0.00 H new ATOM 839 N LEU A 55 -17.973 -11.378 1.750 1.00 0.00 N ATOM 840 CA LEU A 55 -18.291 -11.620 3.147 1.00 0.00 C ATOM 841 C LEU A 55 -17.275 -10.892 4.030 1.00 0.00 C ATOM 842 O LEU A 55 -17.623 -9.942 4.730 1.00 0.00 O ATOM 843 CB LEU A 55 -18.381 -13.122 3.424 1.00 0.00 C ATOM 844 CG LEU A 55 -19.733 -13.632 3.926 1.00 0.00 C ATOM 845 CD1 LEU A 55 -20.285 -14.721 3.004 1.00 0.00 C ATOM 846 CD2 LEU A 55 -19.636 -14.105 5.377 1.00 0.00 C ATOM 0 H LEU A 55 -17.600 -12.186 1.251 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.274 -11.215 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.131 -13.656 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -17.621 -13.382 4.161 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.440 -12.803 3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.247 -15.066 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.415 -14.316 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.587 -15.557 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -20.611 -14.462 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -18.909 -14.914 5.448 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -19.319 -13.276 6.010 1.00 0.00 H new ATOM 858 N ALA A 56 -16.039 -11.366 3.969 1.00 0.00 N ATOM 859 CA ALA A 56 -14.970 -10.772 4.754 1.00 0.00 C ATOM 860 C ALA A 56 -14.870 -9.281 4.425 1.00 0.00 C ATOM 861 O ALA A 56 -14.690 -8.455 5.319 1.00 0.00 O ATOM 862 CB ALA A 56 -13.662 -11.518 4.483 1.00 0.00 C ATOM 0 H ALA A 56 -15.754 -12.155 3.388 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.181 -10.861 5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.860 -11.072 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.777 -12.566 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.416 -11.448 3.423 1.00 0.00 H new ATOM 868 N ALA A 57 -14.990 -8.981 3.140 1.00 0.00 N ATOM 869 CA ALA A 57 -14.915 -7.604 2.683 1.00 0.00 C ATOM 870 C ALA A 57 -16.053 -6.799 3.313 1.00 0.00 C ATOM 871 O ALA A 57 -15.887 -5.620 3.622 1.00 0.00 O ATOM 872 CB ALA A 57 -14.956 -7.571 1.153 1.00 0.00 C ATOM 0 H ALA A 57 -15.139 -9.668 2.401 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.976 -7.147 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.900 -6.538 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -14.111 -8.132 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.886 -8.019 0.804 1.00 0.00 H new ATOM 878 N VAL A 58 -17.183 -7.468 3.486 1.00 0.00 N ATOM 879 CA VAL A 58 -18.348 -6.829 4.075 1.00 0.00 C ATOM 880 C VAL A 58 -18.058 -6.500 5.541 1.00 0.00 C ATOM 881 O VAL A 58 -18.238 -5.363 5.973 1.00 0.00 O ATOM 882 CB VAL A 58 -19.580 -7.719 3.894 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.531 -7.587 5.086 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.298 -7.402 2.581 1.00 0.00 C ATOM 0 H VAL A 58 -17.317 -8.446 3.229 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.565 -5.889 3.568 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.242 -8.754 3.848 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.398 -8.229 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.015 -7.886 5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.858 -6.551 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.169 -8.049 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.618 -6.360 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.619 -7.571 1.745 1.00 0.00 H new ATOM 894 N ARG A 59 -17.614 -7.517 6.265 1.00 0.00 N ATOM 895 CA ARG A 59 -17.297 -7.350 7.674 1.00 0.00 C ATOM 896 C ARG A 59 -16.054 -6.473 7.838 1.00 0.00 C ATOM 897 O ARG A 59 -15.905 -5.784 8.846 1.00 0.00 O ATOM 898 CB ARG A 59 -17.052 -8.701 8.347 1.00 0.00 C ATOM 899 CG ARG A 59 -17.887 -8.838 9.622 1.00 0.00 C ATOM 900 CD ARG A 59 -17.033 -8.582 10.866 1.00 0.00 C ATOM 901 NE ARG A 59 -17.628 -7.494 11.673 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.978 -6.841 12.660 1.00 0.00 C ATOM 903 NH1 ARG A 59 -15.704 -7.163 12.971 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.607 -5.884 13.317 1.00 0.00 N ATOM 0 H ARG A 59 -17.466 -8.459 5.903 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.151 -6.869 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -17.302 -9.506 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.994 -8.805 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.717 -8.132 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.319 -9.837 9.672 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.963 -9.492 11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.018 -8.314 10.572 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.590 -7.220 11.471 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.226 -7.904 12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.220 -6.665 13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.570 -5.648 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.130 -5.381 14.065 1.00 0.00 H new ATOM 917 N LEU A 60 -15.194 -6.528 6.832 1.00 0.00 N ATOM 918 CA LEU A 60 -13.968 -5.747 6.852 1.00 0.00 C ATOM 919 C LEU A 60 -14.290 -4.292 6.509 1.00 0.00 C ATOM 920 O LEU A 60 -13.936 -3.381 7.256 1.00 0.00 O ATOM 921 CB LEU A 60 -12.917 -6.377 5.936 1.00 0.00 C ATOM 922 CG LEU A 60 -11.684 -5.520 5.642 1.00 0.00 C ATOM 923 CD1 LEU A 60 -11.948 -4.558 4.482 1.00 0.00 C ATOM 924 CD2 LEU A 60 -11.213 -4.786 6.899 1.00 0.00 C ATOM 0 H LEU A 60 -15.321 -7.101 5.998 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.530 -5.750 7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.586 -7.313 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.394 -6.630 4.989 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.875 -6.182 5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.056 -3.961 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.199 -5.127 3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.778 -3.899 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.336 -4.184 6.662 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.010 -4.137 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.957 -5.513 7.670 1.00 0.00 H new ATOM 936 N ARG A 61 -14.958 -4.117 5.378 1.00 0.00 N ATOM 937 CA ARG A 61 -15.332 -2.788 4.927 1.00 0.00 C ATOM 938 C ARG A 61 -15.993 -2.007 6.065 1.00 0.00 C ATOM 939 O ARG A 61 -15.809 -0.796 6.181 1.00 0.00 O ATOM 940 CB ARG A 61 -16.295 -2.859 3.740 1.00 0.00 C ATOM 941 CG ARG A 61 -16.725 -1.459 3.297 1.00 0.00 C ATOM 942 CD ARG A 61 -15.994 -1.040 2.020 1.00 0.00 C ATOM 943 NE ARG A 61 -16.956 -0.474 1.049 1.00 0.00 N ATOM 944 CZ ARG A 61 -17.933 -1.186 0.449 1.00 0.00 C ATOM 945 NH1 ARG A 61 -18.085 -2.501 0.716 1.00 0.00 N ATOM 946 NH2 ARG A 61 -18.737 -0.578 -0.404 1.00 0.00 N ATOM 0 H ARG A 61 -15.250 -4.874 4.760 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.422 -2.277 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.815 -3.376 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.173 -3.443 4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.801 -1.442 3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.517 -0.742 4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.226 -0.303 2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.487 -1.900 1.583 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.876 0.516 0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.459 -2.963 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.826 -3.032 0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.615 0.415 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.480 -1.102 -0.866 1.00 0.00 H new ATOM 959 N ASN A 62 -16.748 -2.732 6.876 1.00 0.00 N ATOM 960 CA ASN A 62 -17.437 -2.123 8.001 1.00 0.00 C ATOM 961 C ASN A 62 -16.412 -1.466 8.927 1.00 0.00 C ATOM 962 O ASN A 62 -16.726 -0.502 9.623 1.00 0.00 O ATOM 963 CB ASN A 62 -18.203 -3.171 8.811 1.00 0.00 C ATOM 964 CG ASN A 62 -19.685 -3.181 8.434 1.00 0.00 C ATOM 965 OD1 ASN A 62 -20.521 -2.572 9.080 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.963 -3.905 7.353 1.00 0.00 N ATOM 0 H ASN A 62 -16.898 -3.736 6.777 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.139 -1.387 7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.773 -4.157 8.635 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.096 -2.962 9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.924 -3.975 7.019 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.215 -4.390 6.858 1.00 0.00 H new ATOM 973 N LEU A 63 -15.206 -2.014 8.905 1.00 0.00 N ATOM 974 CA LEU A 63 -14.132 -1.493 9.734 1.00 0.00 C ATOM 975 C LEU A 63 -13.367 -0.421 8.955 1.00 0.00 C ATOM 976 O LEU A 63 -13.071 0.647 9.489 1.00 0.00 O ATOM 977 CB LEU A 63 -13.247 -2.633 10.242 1.00 0.00 C ATOM 978 CG LEU A 63 -12.699 -2.474 11.662 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.218 -3.816 12.218 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.602 -1.408 11.710 1.00 0.00 C ATOM 0 H LEU A 63 -14.949 -2.814 8.326 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.537 -1.013 10.625 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.820 -3.559 10.196 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.405 -2.745 9.559 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.510 -2.131 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.834 -3.675 13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -13.050 -4.519 12.242 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.427 -4.211 11.581 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.230 -1.315 12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.784 -1.698 11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.010 -0.451 11.384 1.00 0.00 H new ATOM 992 N LEU A 64 -13.067 -0.744 7.705 1.00 0.00 N ATOM 993 CA LEU A 64 -12.342 0.178 6.848 1.00 0.00 C ATOM 994 C LEU A 64 -12.996 1.559 6.922 1.00 0.00 C ATOM 995 O LEU A 64 -12.346 2.573 6.671 1.00 0.00 O ATOM 996 CB LEU A 64 -12.241 -0.378 5.426 1.00 0.00 C ATOM 997 CG LEU A 64 -11.210 -1.489 5.213 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.873 -1.646 3.729 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.961 -1.248 6.062 1.00 0.00 C ATOM 0 H LEU A 64 -13.313 -1.631 7.266 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.315 0.292 7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.220 -0.757 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.004 0.445 4.751 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.648 -2.430 5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.138 -2.442 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.777 -1.898 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.463 -0.711 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.245 -2.052 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.510 -0.295 5.784 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.237 -1.225 7.116 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.275 1.555 7.268 1.00 0.00 N ATOM 1012 CA ASN A 65 -15.025 2.794 7.379 1.00 0.00 C ATOM 1013 C ASN A 65 -14.305 3.736 8.347 1.00 0.00 C ATOM 1014 O ASN A 65 -14.421 4.956 8.233 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.432 2.541 7.925 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.305 1.838 6.884 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.779 0.730 7.079 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.492 2.541 5.771 1.00 0.00 N ATOM 0 H ASN A 65 -14.811 0.712 7.475 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.098 3.233 6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.372 1.931 8.826 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.891 3.488 8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.061 2.159 5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.066 3.463 5.672 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.578 3.135 9.276 1.00 0.00 N ATOM 1026 CA ALA A 66 -12.839 3.905 10.263 1.00 0.00 C ATOM 1027 C ALA A 66 -11.518 4.374 9.652 1.00 0.00 C ATOM 1028 O ALA A 66 -10.930 5.352 10.111 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.632 3.058 11.520 1.00 0.00 C ATOM 0 H ALA A 66 -13.484 2.123 9.367 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.400 4.792 10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.078 3.635 12.260 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.601 2.775 11.932 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.070 2.160 11.265 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.089 3.655 8.625 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.848 3.986 7.946 1.00 0.00 C ATOM 1037 C ALA A 67 -10.112 5.087 6.916 1.00 0.00 C ATOM 1038 O ALA A 67 -9.211 5.852 6.575 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.260 2.724 7.312 1.00 0.00 C ATOM 0 H ALA A 67 -11.579 2.844 8.247 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.113 4.367 8.655 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.329 2.973 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.063 1.985 8.088 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.969 2.314 6.593 1.00 0.00 H new ATOM 1045 N THR A 68 -11.352 5.132 6.451 1.00 0.00 N ATOM 1046 CA THR A 68 -11.746 6.126 5.467 1.00 0.00 C ATOM 1047 C THR A 68 -12.935 6.942 5.980 1.00 0.00 C ATOM 1048 O THR A 68 -12.796 8.126 6.281 1.00 0.00 O ATOM 1049 CB THR A 68 -12.029 5.402 4.150 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.779 4.254 4.539 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.763 4.823 3.516 1.00 0.00 C ATOM 0 H THR A 68 -12.097 4.496 6.737 1.00 0.00 H new ATOM 0 HA THR A 68 -10.948 6.847 5.292 1.00 0.00 H new ATOM 0 HB THR A 68 -12.502 6.092 3.451 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.587 4.189 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.020 4.320 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.058 5.628 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.308 4.108 4.201 1.00 0.00 H new ATOM 1059 N GLY A 69 -14.076 6.275 6.065 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.288 6.923 6.536 1.00 0.00 C ATOM 1061 C GLY A 69 -16.160 7.375 5.363 1.00 0.00 C ATOM 1062 O GLY A 69 -17.062 8.194 5.534 1.00 0.00 O ATOM 0 H GLY A 69 -14.187 5.292 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.850 6.235 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.028 7.783 7.153 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.862 6.820 4.197 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.607 7.156 2.996 1.00 0.00 C ATOM 1068 C LEU A 70 -17.073 5.869 2.314 1.00 0.00 C ATOM 1069 O LEU A 70 -16.841 4.773 2.822 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.778 8.068 2.089 1.00 0.00 C ATOM 1071 CG LEU A 70 -14.288 7.739 1.988 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.071 6.367 1.346 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.531 8.844 1.249 1.00 0.00 C ATOM 0 H LEU A 70 -15.115 6.140 4.059 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.502 7.725 3.249 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -16.205 8.036 1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.880 9.093 2.447 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.880 7.690 2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.003 6.158 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.557 5.601 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.498 6.363 0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.474 8.585 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.934 8.950 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.645 9.785 1.787 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.723 6.044 1.172 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.223 4.909 0.415 1.00 0.00 C ATOM 1087 C ARG A 71 -17.093 4.270 -0.394 1.00 0.00 C ATOM 1088 O ARG A 71 -16.796 4.707 -1.505 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.345 5.333 -0.536 1.00 0.00 C ATOM 1090 CG ARG A 71 -20.686 5.409 0.197 1.00 0.00 C ATOM 1091 CD ARG A 71 -21.624 6.411 -0.479 1.00 0.00 C ATOM 1092 NE ARG A 71 -22.115 7.393 0.514 1.00 0.00 N ATOM 1093 CZ ARG A 71 -22.940 7.087 1.538 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -23.372 5.820 1.714 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -23.316 8.044 2.365 1.00 0.00 N ATOM 0 H ARG A 71 -17.915 6.954 0.753 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.619 4.185 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.109 6.304 -0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.416 4.622 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.152 4.424 0.214 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -20.522 5.702 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -21.100 6.926 -1.284 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -22.466 5.886 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 71 -21.811 8.362 0.419 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -23.075 5.086 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -23.995 5.597 2.490 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -22.984 8.998 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -23.939 7.830 3.144 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.493 3.246 0.194 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.401 2.543 -0.458 1.00 0.00 C ATOM 1110 C LEU A 72 -15.975 1.527 -1.448 1.00 0.00 C ATOM 1111 O LEU A 72 -17.143 1.155 -1.355 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.464 1.925 0.582 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.460 2.881 1.230 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.440 2.114 2.075 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.785 3.763 0.178 1.00 0.00 C ATOM 0 H LEU A 72 -16.742 2.886 1.115 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.788 3.239 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.071 1.478 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.910 1.115 0.108 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.004 3.543 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.738 2.816 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.958 1.565 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.896 1.413 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.076 4.433 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.256 3.135 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.541 4.351 -0.343 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.103 1.097 -2.400 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.510 0.132 -3.406 1.00 0.00 C ATOM 1129 C PRO A 73 -15.608 -1.274 -2.811 1.00 0.00 C ATOM 1130 O PRO A 73 -14.642 -1.778 -2.239 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.463 0.241 -4.502 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.262 0.921 -3.865 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.712 1.516 -2.541 1.00 0.00 C ATOM 0 HA PRO A 73 -16.505 0.333 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.196 -0.743 -4.886 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.839 0.821 -5.345 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.456 0.204 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.872 1.700 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.103 1.150 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.624 2.602 -2.545 1.00 0.00 H new ATOM 1141 N SER A 74 -16.782 -1.867 -2.965 1.00 0.00 N ATOM 1142 CA SER A 74 -17.019 -3.205 -2.449 1.00 0.00 C ATOM 1143 C SER A 74 -16.082 -4.203 -3.134 1.00 0.00 C ATOM 1144 O SER A 74 -15.939 -5.337 -2.680 1.00 0.00 O ATOM 1145 CB SER A 74 -18.477 -3.623 -2.650 1.00 0.00 C ATOM 1146 OG SER A 74 -18.831 -3.679 -4.029 1.00 0.00 O ATOM 0 H SER A 74 -17.580 -1.446 -3.440 1.00 0.00 H new ATOM 0 HA SER A 74 -16.815 -3.200 -1.378 1.00 0.00 H new ATOM 0 HB2 SER A 74 -18.640 -4.599 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.130 -2.918 -2.136 1.00 0.00 H new ATOM 0 HG SER A 74 -19.769 -3.951 -4.115 1.00 0.00 H new ATOM 1152 N THR A 75 -15.468 -3.744 -4.214 1.00 0.00 N ATOM 1153 CA THR A 75 -14.549 -4.582 -4.965 1.00 0.00 C ATOM 1154 C THR A 75 -13.125 -4.426 -4.428 1.00 0.00 C ATOM 1155 O THR A 75 -12.227 -5.175 -4.811 1.00 0.00 O ATOM 1156 CB THR A 75 -14.682 -4.221 -6.446 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.431 -2.819 -6.486 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.119 -4.356 -6.955 1.00 0.00 C ATOM 0 H THR A 75 -15.589 -2.802 -4.587 1.00 0.00 H new ATOM 0 HA THR A 75 -14.793 -5.638 -4.850 1.00 0.00 H new ATOM 0 HB THR A 75 -14.026 -4.862 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.495 -2.501 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.158 -4.088 -8.011 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.454 -5.385 -6.829 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.770 -3.691 -6.388 1.00 0.00 H new ATOM 1166 N LEU A 76 -12.962 -3.448 -3.549 1.00 0.00 N ATOM 1167 CA LEU A 76 -11.662 -3.184 -2.956 1.00 0.00 C ATOM 1168 C LEU A 76 -11.029 -4.506 -2.517 1.00 0.00 C ATOM 1169 O LEU A 76 -9.835 -4.724 -2.720 1.00 0.00 O ATOM 1170 CB LEU A 76 -11.786 -2.158 -1.828 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.365 -2.676 -0.510 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.251 -3.098 0.450 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -13.305 -1.645 0.119 1.00 0.00 C ATOM 0 H LEU A 76 -13.709 -2.829 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.992 -2.737 -3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.797 -1.744 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.411 -1.336 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.959 -3.565 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.690 -3.462 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.658 -3.891 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.610 -2.242 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.703 -2.038 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.756 -0.725 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -14.127 -1.437 -0.566 1.00 0.00 H new ATOM 1185 N VAL A 77 -11.856 -5.353 -1.923 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.392 -6.648 -1.453 1.00 0.00 C ATOM 1187 C VAL A 77 -11.546 -7.677 -2.575 1.00 0.00 C ATOM 1188 O VAL A 77 -11.921 -8.821 -2.325 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.138 -7.039 -0.176 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -11.806 -8.476 0.234 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -11.832 -6.061 0.959 1.00 0.00 C ATOM 0 H VAL A 77 -12.845 -5.168 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.334 -6.605 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.207 -6.988 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.349 -8.729 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.098 -9.159 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -10.735 -8.565 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.375 -6.362 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.762 -6.066 1.165 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.141 -5.057 0.668 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.248 -7.233 -3.787 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.348 -8.101 -4.948 1.00 0.00 C ATOM 1203 C PHE A 78 -10.394 -7.649 -6.055 1.00 0.00 C ATOM 1204 O PHE A 78 -9.737 -8.474 -6.689 1.00 0.00 O ATOM 1205 CB PHE A 78 -12.787 -8.001 -5.458 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.390 -9.341 -5.885 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.185 -9.809 -7.146 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -14.132 -10.064 -5.004 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -13.745 -11.052 -7.541 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -14.692 -11.307 -5.400 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.487 -11.775 -6.660 1.00 0.00 C ATOM 0 H PHE A 78 -10.937 -6.283 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.084 -9.122 -4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.410 -7.567 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.815 -7.315 -6.305 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.596 -9.235 -7.846 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -14.295 -9.693 -4.003 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.582 -11.424 -8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -15.281 -11.881 -4.700 1.00 0.00 H new ATOM 0 HZ PHE A 78 -14.913 -12.721 -6.961 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.347 -6.340 -6.254 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.484 -5.768 -7.273 1.00 0.00 C ATOM 1223 C ASP A 79 -8.093 -5.529 -6.683 1.00 0.00 C ATOM 1224 O ASP A 79 -7.142 -5.257 -7.414 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.027 -4.424 -7.764 1.00 0.00 C ATOM 1226 CG ASP A 79 -9.604 -4.035 -9.182 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.153 -4.539 -10.173 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -8.656 -3.162 -9.248 1.00 0.00 O ATOM 0 H ASP A 79 -10.893 -5.659 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.441 -6.467 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.116 -4.451 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.700 -3.644 -7.077 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.018 -5.639 -5.364 1.00 0.00 N ATOM 1235 CA HIS A 80 -6.759 -5.438 -4.667 1.00 0.00 C ATOM 1236 C HIS A 80 -6.103 -6.792 -4.392 1.00 0.00 C ATOM 1237 O HIS A 80 -6.608 -7.581 -3.595 1.00 0.00 O ATOM 1238 CB HIS A 80 -6.967 -4.612 -3.397 1.00 0.00 C ATOM 1239 CG HIS A 80 -6.971 -5.428 -2.126 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -6.027 -5.265 -1.128 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -7.812 -6.414 -1.703 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -6.297 -6.120 -0.152 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.404 -6.832 -0.511 1.00 0.00 N ATOM 0 H HIS A 80 -8.809 -5.865 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.079 -4.864 -5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.180 -3.861 -3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -7.913 -4.076 -3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.254 -4.600 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.666 -6.791 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.739 -6.233 0.766 1.00 0.00 H new ATOM 1251 N PRO A 81 -4.957 -7.027 -5.086 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.226 -8.273 -4.925 1.00 0.00 C ATOM 1253 C PRO A 81 -3.467 -8.295 -3.597 1.00 0.00 C ATOM 1254 O PRO A 81 -2.981 -9.343 -3.174 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.309 -8.350 -6.135 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.222 -6.935 -6.683 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.329 -6.117 -6.039 1.00 0.00 C ATOM 0 HA PRO A 81 -4.881 -9.143 -4.883 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.323 -8.722 -5.855 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.707 -9.035 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.248 -6.499 -6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.331 -6.938 -7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -3.930 -5.234 -5.539 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.045 -5.766 -6.782 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.390 -7.127 -2.976 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.698 -7.000 -1.705 1.00 0.00 C ATOM 1267 C ASN A 82 -3.110 -5.687 -1.035 1.00 0.00 C ATOM 1268 O ASN A 82 -3.609 -4.778 -1.697 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.182 -6.974 -1.903 1.00 0.00 C ATOM 1270 CG ASN A 82 -0.730 -8.106 -2.828 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.508 -9.231 -2.411 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -0.608 -7.747 -4.102 1.00 0.00 N ATOM 0 H ASN A 82 -3.795 -6.260 -3.330 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.966 -7.858 -1.088 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.883 -6.014 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.684 -7.067 -0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.312 -8.431 -4.799 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -0.810 -6.788 -4.383 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.884 -5.629 0.269 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.225 -4.443 1.036 1.00 0.00 C ATOM 1281 C ALA A 83 -2.610 -3.213 0.365 1.00 0.00 C ATOM 1282 O ALA A 83 -3.309 -2.243 0.078 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.754 -4.616 2.481 1.00 0.00 C ATOM 0 H ALA A 83 -2.469 -6.384 0.814 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.305 -4.299 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.010 -3.726 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.242 -5.485 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.674 -4.760 2.497 1.00 0.00 H new ATOM 1289 N SER A 84 -1.307 -3.294 0.136 1.00 0.00 N ATOM 1290 CA SER A 84 -0.590 -2.199 -0.495 1.00 0.00 C ATOM 1291 C SER A 84 -1.416 -1.629 -1.650 1.00 0.00 C ATOM 1292 O SER A 84 -1.292 -0.452 -1.985 1.00 0.00 O ATOM 1293 CB SER A 84 0.781 -2.657 -0.998 1.00 0.00 C ATOM 1294 OG SER A 84 1.827 -1.800 -0.549 1.00 0.00 O ATOM 0 H SER A 84 -0.730 -4.100 0.376 1.00 0.00 H new ATOM 0 HA SER A 84 -0.432 -1.419 0.250 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.972 -3.674 -0.654 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.777 -2.684 -2.088 1.00 0.00 H new ATOM 0 HG SER A 84 2.686 -2.126 -0.889 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.240 -2.491 -2.228 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.086 -2.088 -3.339 1.00 0.00 C ATOM 1302 C ALA A 85 -4.327 -1.376 -2.796 1.00 0.00 C ATOM 1303 O ALA A 85 -4.700 -0.312 -3.286 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.439 -3.314 -4.183 1.00 0.00 C ATOM 0 H ALA A 85 -2.340 -3.467 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.561 -1.387 -3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.073 -3.012 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.525 -3.766 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.970 -4.039 -3.567 1.00 0.00 H new ATOM 1310 N VAL A 86 -4.932 -1.993 -1.792 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.123 -1.432 -1.178 1.00 0.00 C ATOM 1312 C VAL A 86 -5.829 -0.003 -0.716 1.00 0.00 C ATOM 1313 O VAL A 86 -6.565 0.924 -1.049 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.605 -2.340 -0.044 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.935 -1.525 1.208 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -7.806 -3.178 -0.486 1.00 0.00 C ATOM 0 H VAL A 86 -4.620 -2.876 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.936 -1.379 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.794 -3.024 0.206 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.275 -2.194 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.044 -0.993 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.722 -0.806 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.129 -3.814 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.623 -2.518 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.523 -3.800 -1.335 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.752 0.129 0.043 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.351 1.429 0.554 1.00 0.00 C ATOM 1328 C ALA A 87 -4.497 2.474 -0.554 1.00 0.00 C ATOM 1329 O ALA A 87 -5.214 3.460 -0.391 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.922 1.347 1.094 1.00 0.00 C ATOM 0 H ALA A 87 -4.144 -0.643 0.317 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.994 1.732 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.621 2.322 1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.878 0.612 1.898 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.247 1.048 0.292 1.00 0.00 H new ATOM 1336 N GLY A 88 -3.805 2.223 -1.655 1.00 0.00 N ATOM 1337 CA GLY A 88 -3.849 3.130 -2.789 1.00 0.00 C ATOM 1338 C GLY A 88 -5.293 3.441 -3.188 1.00 0.00 C ATOM 1339 O GLY A 88 -5.709 4.598 -3.175 1.00 0.00 O ATOM 0 H GLY A 88 -3.211 1.405 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.330 4.055 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.322 2.687 -3.634 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.018 2.387 -3.532 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.407 2.532 -3.934 1.00 0.00 C ATOM 1345 C PHE A 89 -8.181 3.391 -2.931 1.00 0.00 C ATOM 1346 O PHE A 89 -9.103 4.113 -3.308 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.015 1.128 -3.960 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.044 0.917 -5.072 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.072 1.794 -5.223 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.931 -0.149 -5.909 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.028 1.598 -6.255 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -9.887 -0.346 -6.941 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.915 0.532 -7.092 1.00 0.00 C ATOM 0 H PHE A 89 -5.670 1.428 -3.541 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.463 3.018 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.214 0.398 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.488 0.930 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.162 2.640 -4.558 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.114 -0.846 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -11.844 2.295 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.798 -1.193 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 89 -11.642 0.383 -7.877 1.00 0.00 H new ATOM 1363 N LEU A 90 -7.776 3.285 -1.674 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.420 4.043 -0.614 1.00 0.00 C ATOM 1365 C LEU A 90 -7.879 5.474 -0.616 1.00 0.00 C ATOM 1366 O LEU A 90 -8.628 6.424 -0.396 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.261 3.327 0.729 1.00 0.00 C ATOM 1368 CG LEU A 90 -8.857 1.920 0.814 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.234 1.571 2.255 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -10.041 1.768 -0.142 1.00 0.00 C ATOM 0 H LEU A 90 -7.010 2.686 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.494 4.107 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.198 3.264 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.720 3.942 1.503 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.096 1.206 0.499 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.655 0.566 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.345 1.612 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.971 2.285 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.446 0.759 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.814 2.491 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.708 1.945 -1.165 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.583 5.582 -0.867 1.00 0.00 N ATOM 1383 CA ASP A 91 -5.933 6.882 -0.901 1.00 0.00 C ATOM 1384 C ASP A 91 -6.480 7.690 -2.079 1.00 0.00 C ATOM 1385 O ASP A 91 -6.795 8.870 -1.934 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.422 6.737 -1.087 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.583 7.855 -0.464 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.669 8.119 0.745 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -2.806 8.476 -1.285 1.00 0.00 O ATOM 0 H ASP A 91 -5.965 4.791 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.133 7.384 0.046 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.108 5.786 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.205 6.692 -2.154 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.576 7.022 -3.220 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.079 7.664 -4.422 1.00 0.00 C ATOM 1397 C ALA A 92 -8.527 8.101 -4.194 1.00 0.00 C ATOM 1398 O ALA A 92 -8.949 9.146 -4.688 1.00 0.00 O ATOM 1399 CB ALA A 92 -6.938 6.708 -5.608 1.00 0.00 C ATOM 0 H ALA A 92 -6.314 6.043 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.498 8.557 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.315 7.189 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.888 6.452 -5.746 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.510 5.801 -5.414 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.249 7.279 -3.447 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.641 7.568 -3.147 1.00 0.00 C ATOM 1407 C GLU A 93 -10.739 8.631 -2.052 1.00 0.00 C ATOM 1408 O GLU A 93 -11.754 9.318 -1.937 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.391 6.296 -2.745 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.832 6.613 -2.343 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.821 5.720 -3.097 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.495 4.883 -2.480 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -13.875 5.921 -4.370 1.00 0.00 O ATOM 0 H GLU A 93 -8.896 6.413 -3.040 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.113 7.959 -4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.388 5.590 -3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.876 5.813 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.953 6.470 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.050 7.660 -2.552 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.671 8.734 -1.274 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.624 9.703 -0.192 1.00 0.00 C ATOM 1423 C LEU A 94 -9.219 11.068 -0.752 1.00 0.00 C ATOM 1424 O LEU A 94 -9.595 12.103 -0.205 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.715 9.205 0.933 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.325 8.171 1.882 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.247 7.518 2.748 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.440 8.792 2.726 1.00 0.00 C ATOM 0 H LEU A 94 -8.832 8.162 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.611 9.823 0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.819 8.774 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.395 10.065 1.522 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.777 7.382 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.708 6.788 3.413 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.520 7.018 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.744 8.282 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.856 8.036 3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.034 9.613 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.225 9.170 2.071 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.458 11.025 -1.835 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.998 12.245 -2.475 1.00 0.00 C ATOM 1442 C GLY A 95 -6.509 12.159 -2.815 1.00 0.00 C ATOM 1443 O GLY A 95 -5.666 12.110 -1.921 1.00 0.00 O ATOM 0 H GLY A 95 -8.148 10.164 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.573 12.422 -3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.175 13.095 -1.816 1.00 0.00 H new