USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.292 USER MOD Single : A 27 THR OG1 : rot 104:sc= 1.19 USER MOD Single : A 28 SER OG : rot 170:sc= -1.24 USER MOD Single : A 29 THR OG1 : rot -126:sc= -0.37 USER MOD Single : A 31 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 35 HIS : no HD1:sc= -4.6! C(o=-4.6!,f=-3.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 0.724 (180deg=-0.0314) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -2.54 K(o=-2.5,f=-0.63) USER MOD Single : A 65 ASN : amide:sc= -0.294 X(o=-0.29,f=0.096) USER MOD Single : A 68 THR OG1 : rot -93:sc= 0.439 USER MOD Single : A 80 HIS : no HD1:sc= -12.3! C(o=-12!,f=-34!) USER MOD Single : A 82 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.3) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 0.432 12.961 2.037 1.00 0.00 N ATOM 201 CA ARG A 14 -0.156 11.800 1.389 1.00 0.00 C ATOM 202 C ARG A 14 0.651 10.543 1.720 1.00 0.00 C ATOM 203 O ARG A 14 0.096 9.552 2.193 1.00 0.00 O ATOM 204 CB ARG A 14 -0.203 11.982 -0.129 1.00 0.00 C ATOM 205 CG ARG A 14 -1.539 11.501 -0.698 1.00 0.00 C ATOM 206 CD ARG A 14 -1.403 11.124 -2.174 1.00 0.00 C ATOM 207 NE ARG A 14 -1.909 12.223 -3.027 1.00 0.00 N ATOM 208 CZ ARG A 14 -1.534 12.421 -4.308 1.00 0.00 C ATOM 209 NH1 ARG A 14 -0.644 11.594 -4.897 1.00 0.00 N ATOM 210 NH2 ARG A 14 -2.050 13.436 -4.977 1.00 0.00 N ATOM 0 HA ARG A 14 -1.174 11.692 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.055 13.033 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.614 11.427 -0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.891 10.640 -0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.289 12.284 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.359 10.920 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.960 10.209 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.584 12.871 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.250 10.813 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.366 11.751 -5.866 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.721 14.056 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.777 13.600 -5.946 1.00 0.00 H new ATOM 223 N ALA A 15 1.947 10.624 1.460 1.00 0.00 N ATOM 224 CA ALA A 15 2.835 9.505 1.724 1.00 0.00 C ATOM 225 C ALA A 15 2.446 8.854 3.052 1.00 0.00 C ATOM 226 O ALA A 15 1.817 7.797 3.069 1.00 0.00 O ATOM 227 CB ALA A 15 4.286 9.992 1.716 1.00 0.00 C ATOM 0 H ALA A 15 2.404 11.448 1.069 1.00 0.00 H new ATOM 0 HA ALA A 15 2.741 8.748 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.953 9.153 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.521 10.420 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.419 10.751 2.487 1.00 0.00 H new ATOM 233 N GLU A 16 2.836 9.512 4.134 1.00 0.00 N ATOM 234 CA GLU A 16 2.536 9.009 5.464 1.00 0.00 C ATOM 235 C GLU A 16 1.113 8.447 5.511 1.00 0.00 C ATOM 236 O GLU A 16 0.862 7.437 6.166 1.00 0.00 O ATOM 237 CB GLU A 16 2.728 10.101 6.519 1.00 0.00 C ATOM 238 CG GLU A 16 4.170 10.122 7.030 1.00 0.00 C ATOM 239 CD GLU A 16 5.068 10.945 6.104 1.00 0.00 C ATOM 240 OE1 GLU A 16 5.317 10.537 4.959 1.00 0.00 O ATOM 241 OE2 GLU A 16 5.512 12.044 6.611 1.00 0.00 O ATOM 0 H GLU A 16 3.357 10.389 4.117 1.00 0.00 H new ATOM 0 HA GLU A 16 3.233 8.202 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.475 11.072 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.046 9.931 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.197 10.541 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.550 9.103 7.099 1.00 0.00 H new ATOM 249 N ARG A 17 0.220 9.126 4.806 1.00 0.00 N ATOM 250 CA ARG A 17 -1.171 8.706 4.759 1.00 0.00 C ATOM 251 C ARG A 17 -1.288 7.331 4.099 1.00 0.00 C ATOM 252 O ARG A 17 -1.877 6.414 4.668 1.00 0.00 O ATOM 253 CB ARG A 17 -2.023 9.712 3.982 1.00 0.00 C ATOM 254 CG ARG A 17 -3.400 9.877 4.627 1.00 0.00 C ATOM 255 CD ARG A 17 -4.514 9.720 3.590 1.00 0.00 C ATOM 256 NE ARG A 17 -4.981 11.051 3.143 1.00 0.00 N ATOM 257 CZ ARG A 17 -5.733 11.882 3.896 1.00 0.00 C ATOM 258 NH1 ARG A 17 -6.108 11.525 5.143 1.00 0.00 N ATOM 259 NH2 ARG A 17 -6.094 13.048 3.396 1.00 0.00 N ATOM 0 H ARG A 17 0.432 9.963 4.263 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.537 8.652 5.784 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.515 10.676 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.138 9.377 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.527 9.137 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.471 10.858 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.150 9.148 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.345 9.159 4.019 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.718 11.360 2.207 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.823 10.622 5.522 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.676 12.158 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.805 13.310 2.454 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.662 13.687 3.952 1.00 0.00 H new ATOM 272 N THR A 18 -0.718 7.232 2.907 1.00 0.00 N ATOM 273 CA THR A 18 -0.752 5.984 2.163 1.00 0.00 C ATOM 274 C THR A 18 -0.169 4.846 3.004 1.00 0.00 C ATOM 275 O THR A 18 -0.752 3.766 3.083 1.00 0.00 O ATOM 276 CB THR A 18 -0.014 6.201 0.841 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.887 7.040 0.090 1.00 0.00 O ATOM 278 CG2 THR A 18 0.083 4.923 0.007 1.00 0.00 C ATOM 0 H THR A 18 -0.230 7.995 2.438 1.00 0.00 H new ATOM 0 HA THR A 18 -1.776 5.687 1.935 1.00 0.00 H new ATOM 0 HB THR A 18 0.988 6.579 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.485 7.232 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.616 5.133 -0.920 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.622 4.161 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.919 4.562 -0.224 1.00 0.00 H new ATOM 286 N ALA A 19 0.974 5.128 3.611 1.00 0.00 N ATOM 287 CA ALA A 19 1.642 4.141 4.444 1.00 0.00 C ATOM 288 C ALA A 19 0.862 3.969 5.748 1.00 0.00 C ATOM 289 O ALA A 19 0.950 2.926 6.395 1.00 0.00 O ATOM 290 CB ALA A 19 3.090 4.572 4.683 1.00 0.00 C ATOM 0 H ALA A 19 1.455 6.025 3.543 1.00 0.00 H new ATOM 0 HA ALA A 19 1.668 3.172 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.591 3.833 5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.608 4.651 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.104 5.540 5.185 1.00 0.00 H new ATOM 296 N GLU A 20 0.115 5.006 6.096 1.00 0.00 N ATOM 297 CA GLU A 20 -0.680 4.982 7.311 1.00 0.00 C ATOM 298 C GLU A 20 -1.900 4.077 7.130 1.00 0.00 C ATOM 299 O GLU A 20 -2.262 3.328 8.035 1.00 0.00 O ATOM 300 CB GLU A 20 -1.102 6.396 7.719 1.00 0.00 C ATOM 301 CG GLU A 20 -2.128 6.356 8.853 1.00 0.00 C ATOM 302 CD GLU A 20 -1.924 7.526 9.818 1.00 0.00 C ATOM 303 OE1 GLU A 20 -1.193 8.474 9.497 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.560 7.427 10.936 1.00 0.00 O ATOM 0 H GLU A 20 0.044 5.869 5.557 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.066 4.575 8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.227 6.964 8.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.525 6.916 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.135 6.393 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.041 5.414 9.394 1.00 0.00 H new ATOM 312 N LEU A 21 -2.501 4.177 5.953 1.00 0.00 N ATOM 313 CA LEU A 21 -3.673 3.377 5.641 1.00 0.00 C ATOM 314 C LEU A 21 -3.241 1.939 5.348 1.00 0.00 C ATOM 315 O LEU A 21 -4.031 1.008 5.491 1.00 0.00 O ATOM 316 CB LEU A 21 -4.475 4.021 4.508 1.00 0.00 C ATOM 317 CG LEU A 21 -5.823 4.629 4.901 1.00 0.00 C ATOM 318 CD1 LEU A 21 -5.786 6.155 4.801 1.00 0.00 C ATOM 319 CD2 LEU A 21 -6.959 4.028 4.072 1.00 0.00 C ATOM 0 H LEU A 21 -2.198 4.800 5.204 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.347 3.339 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.864 4.803 4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.649 3.268 3.739 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.019 4.379 5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.756 6.562 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.019 6.545 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.557 6.447 3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.906 4.478 4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.782 4.226 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.000 2.951 4.238 1.00 0.00 H new ATOM 331 N VAL A 22 -1.986 1.803 4.944 1.00 0.00 N ATOM 332 CA VAL A 22 -1.439 0.494 4.630 1.00 0.00 C ATOM 333 C VAL A 22 -1.494 -0.389 5.878 1.00 0.00 C ATOM 334 O VAL A 22 -2.304 -1.313 5.953 1.00 0.00 O ATOM 335 CB VAL A 22 -0.025 0.641 4.064 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.820 -0.596 4.374 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.063 0.916 2.559 1.00 0.00 C ATOM 0 H VAL A 22 -1.333 2.578 4.827 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.035 0.005 3.859 1.00 0.00 H new ATOM 0 HB VAL A 22 0.443 1.497 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.820 -0.466 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.888 -0.729 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.355 -1.475 3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.955 1.016 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.559 0.089 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.612 1.839 2.371 1.00 0.00 H new ATOM 347 N ARG A 23 -0.624 -0.076 6.826 1.00 0.00 N ATOM 348 CA ARG A 23 -0.564 -0.830 8.066 1.00 0.00 C ATOM 349 C ARG A 23 -1.955 -0.927 8.696 1.00 0.00 C ATOM 350 O ARG A 23 -2.260 -1.897 9.388 1.00 0.00 O ATOM 351 CB ARG A 23 0.395 -0.176 9.063 1.00 0.00 C ATOM 352 CG ARG A 23 0.174 1.337 9.125 1.00 0.00 C ATOM 353 CD ARG A 23 0.688 1.912 10.446 1.00 0.00 C ATOM 354 NE ARG A 23 1.764 2.894 10.186 1.00 0.00 N ATOM 355 CZ ARG A 23 3.049 2.560 9.939 1.00 0.00 C ATOM 356 NH1 ARG A 23 3.428 1.265 9.917 1.00 0.00 N ATOM 357 NH2 ARG A 23 3.929 3.520 9.720 1.00 0.00 N ATOM 0 H ARG A 23 0.046 0.690 6.760 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.198 -1.829 7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.248 -0.609 10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.425 -0.385 8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.686 1.817 8.291 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.888 1.558 9.017 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.129 2.390 10.986 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.063 1.109 11.080 1.00 0.00 H new ATOM 0 HE ARG A 23 1.520 3.884 10.194 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.742 0.530 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.401 1.021 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.634 4.496 9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.904 3.285 9.532 1.00 0.00 H new ATOM 370 N LEU A 24 -2.761 0.092 8.434 1.00 0.00 N ATOM 371 CA LEU A 24 -4.112 0.133 8.967 1.00 0.00 C ATOM 372 C LEU A 24 -4.895 -1.078 8.455 1.00 0.00 C ATOM 373 O LEU A 24 -5.479 -1.821 9.242 1.00 0.00 O ATOM 374 CB LEU A 24 -4.774 1.474 8.645 1.00 0.00 C ATOM 375 CG LEU A 24 -6.278 1.560 8.909 1.00 0.00 C ATOM 376 CD1 LEU A 24 -7.076 1.120 7.680 1.00 0.00 C ATOM 377 CD2 LEU A 24 -6.663 0.764 10.157 1.00 0.00 C ATOM 0 H LEU A 24 -2.504 0.895 7.860 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.095 0.065 10.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.278 2.251 9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.596 1.701 7.594 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.531 2.602 9.102 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.142 1.191 7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.832 1.766 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.823 0.089 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.738 0.842 10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.392 -0.283 10.019 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.134 1.164 11.022 1.00 0.00 H new ATOM 389 N VAL A 25 -4.881 -1.238 7.140 1.00 0.00 N ATOM 390 CA VAL A 25 -5.582 -2.346 6.514 1.00 0.00 C ATOM 391 C VAL A 25 -5.075 -3.663 7.103 1.00 0.00 C ATOM 392 O VAL A 25 -5.847 -4.427 7.681 1.00 0.00 O ATOM 393 CB VAL A 25 -5.426 -2.272 4.993 1.00 0.00 C ATOM 394 CG1 VAL A 25 -5.997 -3.523 4.322 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.077 -1.005 4.436 1.00 0.00 C ATOM 0 H VAL A 25 -4.395 -0.619 6.491 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.651 -2.287 6.721 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.361 -2.228 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.874 -3.445 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.468 -4.404 4.685 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.057 -3.612 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.952 -0.977 3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.140 -1.005 4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.604 -0.128 4.879 1.00 0.00 H new ATOM 405 N ARG A 26 -3.780 -3.890 6.937 1.00 0.00 N ATOM 406 CA ARG A 26 -3.161 -5.102 7.446 1.00 0.00 C ATOM 407 C ARG A 26 -3.762 -5.475 8.803 1.00 0.00 C ATOM 408 O ARG A 26 -4.164 -6.618 9.014 1.00 0.00 O ATOM 409 CB ARG A 26 -1.649 -4.927 7.596 1.00 0.00 C ATOM 410 CG ARG A 26 -1.011 -4.508 6.270 1.00 0.00 C ATOM 411 CD ARG A 26 -0.067 -5.594 5.748 1.00 0.00 C ATOM 412 NE ARG A 26 -0.664 -6.259 4.568 1.00 0.00 N ATOM 413 CZ ARG A 26 -1.595 -7.233 4.639 1.00 0.00 C ATOM 414 NH1 ARG A 26 -2.045 -7.665 5.836 1.00 0.00 N ATOM 415 NH2 ARG A 26 -2.060 -7.757 3.520 1.00 0.00 N ATOM 0 H ARG A 26 -3.142 -3.255 6.457 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.353 -5.899 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.440 -4.176 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.204 -5.861 7.939 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.790 -4.313 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.461 -3.577 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.894 -5.154 5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.125 -6.328 6.531 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.352 -5.962 3.643 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.681 -7.255 6.696 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.749 -8.402 5.881 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.715 -7.425 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.764 -8.494 3.556 1.00 0.00 H new ATOM 428 N THR A 27 -3.802 -4.490 9.687 1.00 0.00 N ATOM 429 CA THR A 27 -4.347 -4.701 11.018 1.00 0.00 C ATOM 430 C THR A 27 -5.847 -4.991 10.941 1.00 0.00 C ATOM 431 O THR A 27 -6.352 -5.861 11.650 1.00 0.00 O ATOM 432 CB THR A 27 -4.008 -3.474 11.867 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.679 -3.139 11.479 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.889 -3.807 13.356 1.00 0.00 C ATOM 0 H THR A 27 -3.466 -3.544 9.508 1.00 0.00 H new ATOM 0 HA THR A 27 -3.903 -5.576 11.493 1.00 0.00 H new ATOM 0 HB THR A 27 -4.775 -2.712 11.725 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.697 -2.353 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.647 -2.902 13.913 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.835 -4.212 13.715 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.100 -4.544 13.502 1.00 0.00 H new ATOM 442 N SER A 28 -6.517 -4.247 10.073 1.00 0.00 N ATOM 443 CA SER A 28 -7.949 -4.414 9.894 1.00 0.00 C ATOM 444 C SER A 28 -8.246 -5.796 9.309 1.00 0.00 C ATOM 445 O SER A 28 -9.259 -6.410 9.640 1.00 0.00 O ATOM 446 CB SER A 28 -8.522 -3.321 8.990 1.00 0.00 C ATOM 447 OG SER A 28 -9.002 -2.207 9.738 1.00 0.00 O ATOM 0 H SER A 28 -6.095 -3.527 9.486 1.00 0.00 H new ATOM 0 HA SER A 28 -8.428 -4.329 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.753 -2.986 8.294 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.335 -3.734 8.392 1.00 0.00 H new ATOM 0 HG SER A 28 -9.209 -1.468 9.128 1.00 0.00 H new ATOM 453 N THR A 29 -7.344 -6.246 8.449 1.00 0.00 N ATOM 454 CA THR A 29 -7.496 -7.544 7.815 1.00 0.00 C ATOM 455 C THR A 29 -7.435 -8.659 8.861 1.00 0.00 C ATOM 456 O THR A 29 -8.447 -9.292 9.159 1.00 0.00 O ATOM 457 CB THR A 29 -6.425 -7.669 6.730 1.00 0.00 C ATOM 458 OG1 THR A 29 -6.316 -6.352 6.196 1.00 0.00 O ATOM 459 CG2 THR A 29 -6.889 -8.515 5.543 1.00 0.00 C ATOM 0 H THR A 29 -6.505 -5.734 8.176 1.00 0.00 H new ATOM 0 HA THR A 29 -8.472 -7.640 7.340 1.00 0.00 H new ATOM 0 HB THR A 29 -5.524 -8.109 7.159 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.429 -6.383 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.091 -8.571 4.802 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.137 -9.519 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.770 -8.058 5.093 1.00 0.00 H new ATOM 467 N ALA A 30 -6.238 -8.866 9.389 1.00 0.00 N ATOM 468 CA ALA A 30 -6.031 -9.893 10.396 1.00 0.00 C ATOM 469 C ALA A 30 -7.162 -9.829 11.424 1.00 0.00 C ATOM 470 O ALA A 30 -7.646 -10.861 11.885 1.00 0.00 O ATOM 471 CB ALA A 30 -4.652 -9.713 11.034 1.00 0.00 C ATOM 0 H ALA A 30 -5.401 -8.340 9.138 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.053 -10.884 9.943 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.497 -10.484 11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.882 -9.797 10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.593 -8.730 11.501 1.00 0.00 H new ATOM 477 N THR A 31 -7.550 -8.606 11.753 1.00 0.00 N ATOM 478 CA THR A 31 -8.615 -8.393 12.719 1.00 0.00 C ATOM 479 C THR A 31 -9.927 -8.990 12.205 1.00 0.00 C ATOM 480 O THR A 31 -10.694 -9.567 12.975 1.00 0.00 O ATOM 481 CB THR A 31 -8.702 -6.892 13.004 1.00 0.00 C ATOM 482 OG1 THR A 31 -7.575 -6.632 13.836 1.00 0.00 O ATOM 483 CG2 THR A 31 -9.903 -6.531 13.880 1.00 0.00 C ATOM 0 H THR A 31 -7.146 -7.752 11.368 1.00 0.00 H new ATOM 0 HA THR A 31 -8.406 -8.905 13.658 1.00 0.00 H new ATOM 0 HB THR A 31 -8.763 -6.346 12.062 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.796 -6.429 13.277 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.918 -5.455 14.052 1.00 0.00 H new ATOM 0 HG22 THR A 31 -10.823 -6.831 13.378 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.825 -7.050 14.835 1.00 0.00 H new ATOM 491 N VAL A 32 -10.145 -8.832 10.908 1.00 0.00 N ATOM 492 CA VAL A 32 -11.351 -9.349 10.283 1.00 0.00 C ATOM 493 C VAL A 32 -11.411 -10.865 10.478 1.00 0.00 C ATOM 494 O VAL A 32 -12.495 -11.442 10.549 1.00 0.00 O ATOM 495 CB VAL A 32 -11.397 -8.933 8.811 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.819 -10.029 7.914 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.822 -8.572 8.388 1.00 0.00 C ATOM 0 H VAL A 32 -9.507 -8.353 10.272 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.238 -8.925 10.754 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.778 -8.044 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.863 -9.708 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.782 -10.217 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.399 -10.943 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.827 -8.280 7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -13.473 -9.435 8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.183 -7.743 8.997 1.00 0.00 H new ATOM 507 N LEU A 33 -10.234 -11.467 10.560 1.00 0.00 N ATOM 508 CA LEU A 33 -10.140 -12.905 10.745 1.00 0.00 C ATOM 509 C LEU A 33 -10.096 -13.220 12.242 1.00 0.00 C ATOM 510 O LEU A 33 -10.389 -14.342 12.652 1.00 0.00 O ATOM 511 CB LEU A 33 -8.952 -13.469 9.963 1.00 0.00 C ATOM 512 CG LEU A 33 -9.082 -13.449 8.439 1.00 0.00 C ATOM 513 CD1 LEU A 33 -10.532 -13.208 8.016 1.00 0.00 C ATOM 514 CD2 LEU A 33 -8.126 -12.427 7.820 1.00 0.00 C ATOM 0 H LEU A 33 -9.337 -10.985 10.502 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.023 -13.400 10.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.060 -12.906 10.239 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.790 -14.499 10.280 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.795 -14.429 8.059 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.597 -13.198 6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.163 -14.005 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.871 -12.249 8.408 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.239 -12.433 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.358 -11.433 8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.099 -12.685 8.079 1.00 0.00 H new ATOM 526 N GLY A 34 -9.729 -12.209 13.017 1.00 0.00 N ATOM 527 CA GLY A 34 -9.644 -12.365 14.459 1.00 0.00 C ATOM 528 C GLY A 34 -8.276 -11.918 14.978 1.00 0.00 C ATOM 529 O GLY A 34 -8.192 -11.142 15.929 1.00 0.00 O ATOM 0 H GLY A 34 -9.487 -11.280 12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.428 -11.779 14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.816 -13.408 14.727 1.00 0.00 H new ATOM 533 N HIS A 35 -7.238 -12.428 14.332 1.00 0.00 N ATOM 534 CA HIS A 35 -5.878 -12.091 14.717 1.00 0.00 C ATOM 535 C HIS A 35 -4.926 -12.400 13.559 1.00 0.00 C ATOM 536 O HIS A 35 -5.054 -11.830 12.477 1.00 0.00 O ATOM 537 CB HIS A 35 -5.487 -12.806 16.012 1.00 0.00 C ATOM 538 CG HIS A 35 -6.339 -12.431 17.201 1.00 0.00 C ATOM 539 ND1 HIS A 35 -6.047 -11.356 18.023 1.00 0.00 N ATOM 540 CD2 HIS A 35 -7.476 -12.998 17.697 1.00 0.00 C ATOM 541 CE1 HIS A 35 -6.973 -11.289 18.968 1.00 0.00 C ATOM 542 NE2 HIS A 35 -7.858 -12.308 18.765 1.00 0.00 N ATOM 0 H HIS A 35 -7.311 -13.072 13.544 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.809 -11.023 14.925 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.554 -13.883 15.855 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.445 -12.581 16.239 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.980 -13.862 17.290 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.019 -10.556 19.760 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.677 -12.507 19.339 1.00 0.00 H new ATOM 550 N ASP A 36 -3.992 -13.300 13.827 1.00 0.00 N ATOM 551 CA ASP A 36 -3.018 -13.691 12.822 1.00 0.00 C ATOM 552 C ASP A 36 -1.842 -12.713 12.850 1.00 0.00 C ATOM 553 O ASP A 36 -0.826 -12.940 12.195 1.00 0.00 O ATOM 554 CB ASP A 36 -3.630 -13.655 11.420 1.00 0.00 C ATOM 555 CG ASP A 36 -3.056 -14.678 10.437 1.00 0.00 C ATOM 556 OD1 ASP A 36 -1.832 -14.783 10.267 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.934 -15.396 9.822 1.00 0.00 O ATOM 0 H ASP A 36 -3.889 -13.770 14.726 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.690 -14.706 13.047 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.704 -13.818 11.505 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.491 -12.657 11.005 1.00 0.00 H new ATOM 563 N ASP A 37 -2.019 -11.646 13.614 1.00 0.00 N ATOM 564 CA ASP A 37 -0.985 -10.633 13.736 1.00 0.00 C ATOM 565 C ASP A 37 -0.712 -10.021 12.361 1.00 0.00 C ATOM 566 O ASP A 37 -0.343 -10.729 11.425 1.00 0.00 O ATOM 567 CB ASP A 37 0.322 -11.239 14.252 1.00 0.00 C ATOM 568 CG ASP A 37 1.441 -10.230 14.518 1.00 0.00 C ATOM 569 OD1 ASP A 37 1.192 -9.026 14.676 1.00 0.00 O ATOM 570 OD2 ASP A 37 2.629 -10.733 14.560 1.00 0.00 O ATOM 0 H ASP A 37 -2.864 -11.461 14.155 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.335 -9.878 14.440 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.115 -11.781 15.175 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.677 -11.970 13.526 1.00 0.00 H new ATOM 576 N PRO A 38 -0.909 -8.678 12.279 1.00 0.00 N ATOM 577 CA PRO A 38 -0.688 -7.963 11.034 1.00 0.00 C ATOM 578 C PRO A 38 0.807 -7.795 10.756 1.00 0.00 C ATOM 579 O PRO A 38 1.206 -7.534 9.622 1.00 0.00 O ATOM 580 CB PRO A 38 -1.412 -6.638 11.207 1.00 0.00 C ATOM 581 CG PRO A 38 -1.616 -6.467 12.704 1.00 0.00 C ATOM 582 CD PRO A 38 -1.346 -7.807 13.367 1.00 0.00 C ATOM 0 HA PRO A 38 -1.071 -8.501 10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.826 -5.816 10.796 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.367 -6.643 10.681 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.943 -5.705 13.096 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.632 -6.134 12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.579 -7.720 14.137 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.241 -8.197 13.851 1.00 0.00 H new ATOM 590 N LYS A 39 1.594 -7.953 11.810 1.00 0.00 N ATOM 591 CA LYS A 39 3.037 -7.823 11.694 1.00 0.00 C ATOM 592 C LYS A 39 3.624 -9.141 11.185 1.00 0.00 C ATOM 593 O LYS A 39 4.837 -9.259 11.013 1.00 0.00 O ATOM 594 CB LYS A 39 3.641 -7.351 13.018 1.00 0.00 C ATOM 595 CG LYS A 39 4.728 -6.301 12.782 1.00 0.00 C ATOM 596 CD LYS A 39 5.594 -6.117 14.030 1.00 0.00 C ATOM 597 CE LYS A 39 6.675 -7.197 14.112 1.00 0.00 C ATOM 598 NZ LYS A 39 7.000 -7.499 15.524 1.00 0.00 N ATOM 0 H LYS A 39 1.260 -8.170 12.749 1.00 0.00 H new ATOM 0 HA LYS A 39 3.293 -7.056 10.963 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.858 -6.933 13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.063 -8.202 13.553 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.354 -6.603 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.268 -5.351 12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.060 -5.132 14.012 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.967 -6.156 14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.332 -8.102 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.572 -6.863 13.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.735 -8.234 15.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.347 -6.638 15.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.146 -7.838 16.012 1.00 0.00 H new ATOM 611 N ALA A 40 2.737 -10.098 10.958 1.00 0.00 N ATOM 612 CA ALA A 40 3.153 -11.403 10.472 1.00 0.00 C ATOM 613 C ALA A 40 2.627 -11.604 9.049 1.00 0.00 C ATOM 614 O ALA A 40 2.515 -12.735 8.579 1.00 0.00 O ATOM 615 CB ALA A 40 2.661 -12.487 11.433 1.00 0.00 C ATOM 0 H ALA A 40 1.732 -9.996 11.101 1.00 0.00 H new ATOM 0 HA ALA A 40 4.240 -11.469 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.973 -13.466 11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.086 -12.316 12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.573 -12.453 11.494 1.00 0.00 H new ATOM 621 N VAL A 41 2.320 -10.489 8.403 1.00 0.00 N ATOM 622 CA VAL A 41 1.809 -10.528 7.044 1.00 0.00 C ATOM 623 C VAL A 41 2.512 -9.457 6.208 1.00 0.00 C ATOM 624 O VAL A 41 2.753 -8.350 6.686 1.00 0.00 O ATOM 625 CB VAL A 41 0.286 -10.375 7.052 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.244 -10.087 5.646 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.386 -11.614 7.648 1.00 0.00 C ATOM 0 H VAL A 41 2.415 -9.553 8.796 1.00 0.00 H new ATOM 0 HA VAL A 41 2.023 -11.493 6.584 1.00 0.00 H new ATOM 0 HB VAL A 41 0.038 -9.522 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.328 -9.983 5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.198 -9.163 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.021 -10.910 4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.468 -11.480 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.126 -12.490 7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.044 -11.756 8.673 1.00 0.00 H new ATOM 637 N ARG A 42 2.822 -9.824 4.973 1.00 0.00 N ATOM 638 CA ARG A 42 3.493 -8.909 4.066 1.00 0.00 C ATOM 639 C ARG A 42 2.522 -7.827 3.589 1.00 0.00 C ATOM 640 O ARG A 42 1.355 -7.819 3.979 1.00 0.00 O ATOM 641 CB ARG A 42 4.056 -9.650 2.852 1.00 0.00 C ATOM 642 CG ARG A 42 5.225 -10.552 3.254 1.00 0.00 C ATOM 643 CD ARG A 42 5.305 -11.782 2.348 1.00 0.00 C ATOM 644 NE ARG A 42 6.324 -12.725 2.863 1.00 0.00 N ATOM 645 CZ ARG A 42 7.655 -12.505 2.808 1.00 0.00 C ATOM 646 NH1 ARG A 42 8.140 -11.371 2.258 1.00 0.00 N ATOM 647 NH2 ARG A 42 8.475 -13.416 3.299 1.00 0.00 N ATOM 0 H ARG A 42 2.621 -10.743 4.579 1.00 0.00 H new ATOM 0 HA ARG A 42 4.317 -8.448 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.271 -10.250 2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.388 -8.930 2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.158 -9.992 3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.106 -10.867 4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.333 -12.274 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.558 -11.480 1.332 1.00 0.00 H new ATOM 0 HE ARG A 42 6.000 -13.595 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.499 -10.673 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.147 -11.213 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.100 -14.270 3.712 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.483 -13.266 3.265 1.00 0.00 H new ATOM 660 N ALA A 43 3.039 -6.940 2.751 1.00 0.00 N ATOM 661 CA ALA A 43 2.232 -5.856 2.217 1.00 0.00 C ATOM 662 C ALA A 43 1.639 -6.283 0.873 1.00 0.00 C ATOM 663 O ALA A 43 0.638 -5.724 0.426 1.00 0.00 O ATOM 664 CB ALA A 43 3.086 -4.592 2.103 1.00 0.00 C ATOM 0 H ALA A 43 4.007 -6.950 2.429 1.00 0.00 H new ATOM 0 HA ALA A 43 1.402 -5.629 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.481 -3.779 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.459 -4.315 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.928 -4.780 1.436 1.00 0.00 H new ATOM 670 N THR A 44 2.282 -7.269 0.265 1.00 0.00 N ATOM 671 CA THR A 44 1.830 -7.777 -1.020 1.00 0.00 C ATOM 672 C THR A 44 1.327 -9.214 -0.877 1.00 0.00 C ATOM 673 O THR A 44 1.539 -10.041 -1.763 1.00 0.00 O ATOM 674 CB THR A 44 2.982 -7.633 -2.016 1.00 0.00 C ATOM 675 OG1 THR A 44 4.129 -8.058 -1.286 1.00 0.00 O ATOM 676 CG2 THR A 44 3.280 -6.172 -2.359 1.00 0.00 C ATOM 0 H THR A 44 3.112 -7.730 0.638 1.00 0.00 H new ATOM 0 HA THR A 44 0.982 -7.205 -1.396 1.00 0.00 H new ATOM 0 HB THR A 44 2.742 -8.179 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.922 -7.998 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.106 -6.126 -3.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.395 -5.714 -2.801 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.552 -5.633 -1.451 1.00 0.00 H new ATOM 684 N THR A 45 0.668 -9.469 0.244 1.00 0.00 N ATOM 685 CA THR A 45 0.133 -10.792 0.514 1.00 0.00 C ATOM 686 C THR A 45 -1.286 -10.917 -0.044 1.00 0.00 C ATOM 687 O THR A 45 -1.970 -9.914 -0.242 1.00 0.00 O ATOM 688 CB THR A 45 0.216 -11.038 2.022 1.00 0.00 C ATOM 689 OG1 THR A 45 0.914 -12.275 2.134 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.152 -11.324 2.645 1.00 0.00 C ATOM 0 H THR A 45 0.493 -8.781 0.976 1.00 0.00 H new ATOM 0 HA THR A 45 0.716 -11.564 0.012 1.00 0.00 H new ATOM 0 HB THR A 45 0.661 -10.169 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.014 -12.510 3.080 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.036 -11.491 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.812 -10.473 2.480 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.583 -12.212 2.184 1.00 0.00 H new ATOM 698 N PRO A 46 -1.698 -12.190 -0.289 1.00 0.00 N ATOM 699 CA PRO A 46 -3.023 -12.459 -0.821 1.00 0.00 C ATOM 700 C PRO A 46 -4.093 -12.284 0.259 1.00 0.00 C ATOM 701 O PRO A 46 -3.959 -12.812 1.362 1.00 0.00 O ATOM 702 CB PRO A 46 -2.950 -13.878 -1.360 1.00 0.00 C ATOM 703 CG PRO A 46 -1.738 -14.514 -0.698 1.00 0.00 C ATOM 704 CD PRO A 46 -0.915 -13.402 -0.067 1.00 0.00 C ATOM 0 HA PRO A 46 -3.309 -11.762 -1.609 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.859 -14.432 -1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.848 -13.879 -2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.050 -15.234 0.058 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.144 -15.059 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.756 -13.582 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.070 -13.327 -0.528 1.00 0.00 H new ATOM 712 N PHE A 47 -5.130 -11.541 -0.096 1.00 0.00 N ATOM 713 CA PHE A 47 -6.223 -11.289 0.828 1.00 0.00 C ATOM 714 C PHE A 47 -7.217 -12.452 0.831 1.00 0.00 C ATOM 715 O PHE A 47 -7.618 -12.929 1.892 1.00 0.00 O ATOM 716 CB PHE A 47 -6.936 -10.025 0.346 1.00 0.00 C ATOM 717 CG PHE A 47 -6.781 -8.826 1.284 1.00 0.00 C ATOM 718 CD1 PHE A 47 -5.557 -8.263 1.471 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.866 -8.325 1.931 1.00 0.00 C ATOM 720 CE1 PHE A 47 -5.413 -7.150 2.342 1.00 0.00 C ATOM 721 CE2 PHE A 47 -7.722 -7.212 2.802 1.00 0.00 C ATOM 722 CZ PHE A 47 -6.499 -6.649 2.989 1.00 0.00 C ATOM 0 H PHE A 47 -5.237 -11.105 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.835 -11.175 1.840 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.551 -9.756 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.997 -10.243 0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.695 -8.662 0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.838 -8.773 1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.442 -6.702 2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.584 -6.813 3.316 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.390 -5.803 3.652 1.00 0.00 H new ATOM 732 N LYS A 48 -7.588 -12.874 -0.369 1.00 0.00 N ATOM 733 CA LYS A 48 -8.528 -13.972 -0.519 1.00 0.00 C ATOM 734 C LYS A 48 -7.981 -15.208 0.199 1.00 0.00 C ATOM 735 O LYS A 48 -8.728 -16.140 0.493 1.00 0.00 O ATOM 736 CB LYS A 48 -8.844 -14.209 -1.997 1.00 0.00 C ATOM 737 CG LYS A 48 -10.353 -14.172 -2.248 1.00 0.00 C ATOM 738 CD LYS A 48 -10.678 -14.557 -3.692 1.00 0.00 C ATOM 739 CE LYS A 48 -11.432 -15.887 -3.749 1.00 0.00 C ATOM 740 NZ LYS A 48 -12.669 -15.748 -4.550 1.00 0.00 N ATOM 0 H LYS A 48 -7.255 -12.475 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.480 -13.725 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.352 -13.449 -2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.444 -15.174 -2.308 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.856 -14.855 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.736 -13.173 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.279 -13.774 -4.154 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.756 -14.633 -4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.794 -16.655 -4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.680 -16.215 -2.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.447 -16.252 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.913 -14.741 -4.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.517 -16.153 -5.496 1.00 0.00 H new ATOM 753 N GLU A 49 -6.683 -15.174 0.461 1.00 0.00 N ATOM 754 CA GLU A 49 -6.028 -16.280 1.138 1.00 0.00 C ATOM 755 C GLU A 49 -6.347 -16.250 2.634 1.00 0.00 C ATOM 756 O GLU A 49 -6.442 -17.296 3.274 1.00 0.00 O ATOM 757 CB GLU A 49 -4.517 -16.252 0.899 1.00 0.00 C ATOM 758 CG GLU A 49 -4.136 -17.114 -0.306 1.00 0.00 C ATOM 759 CD GLU A 49 -4.949 -16.720 -1.541 1.00 0.00 C ATOM 760 OE1 GLU A 49 -6.177 -16.890 -1.555 1.00 0.00 O ATOM 761 OE2 GLU A 49 -4.260 -16.219 -2.510 1.00 0.00 O ATOM 0 H GLU A 49 -6.067 -14.398 0.217 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.411 -17.212 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.190 -15.225 0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.998 -16.613 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.072 -17.002 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.307 -18.165 -0.074 1.00 0.00 H new ATOM 769 N LEU A 50 -6.504 -15.039 3.149 1.00 0.00 N ATOM 770 CA LEU A 50 -6.811 -14.858 4.558 1.00 0.00 C ATOM 771 C LEU A 50 -8.207 -15.413 4.847 1.00 0.00 C ATOM 772 O LEU A 50 -8.484 -15.857 5.960 1.00 0.00 O ATOM 773 CB LEU A 50 -6.635 -13.393 4.961 1.00 0.00 C ATOM 774 CG LEU A 50 -5.326 -12.730 4.529 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.535 -11.244 4.231 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.227 -12.958 5.569 1.00 0.00 C ATOM 0 H LEU A 50 -6.424 -14.173 2.615 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.111 -15.420 5.176 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.464 -12.820 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.713 -13.324 6.046 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.995 -13.199 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.589 -10.797 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.264 -11.133 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.902 -10.741 5.126 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.307 -12.477 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.536 -12.532 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.054 -14.028 5.687 1.00 0.00 H new ATOM 788 N GLY A 51 -9.049 -15.369 3.825 1.00 0.00 N ATOM 789 CA GLY A 51 -10.410 -15.861 3.955 1.00 0.00 C ATOM 790 C GLY A 51 -11.422 -14.725 3.795 1.00 0.00 C ATOM 791 O GLY A 51 -12.154 -14.405 4.731 1.00 0.00 O ATOM 0 H GLY A 51 -8.815 -15.000 2.903 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.597 -16.628 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.538 -16.333 4.929 1.00 0.00 H new ATOM 795 N PHE A 52 -11.431 -14.146 2.604 1.00 0.00 N ATOM 796 CA PHE A 52 -12.341 -13.052 2.309 1.00 0.00 C ATOM 797 C PHE A 52 -13.375 -13.466 1.260 1.00 0.00 C ATOM 798 O PHE A 52 -13.024 -14.042 0.232 1.00 0.00 O ATOM 799 CB PHE A 52 -11.496 -11.905 1.751 1.00 0.00 C ATOM 800 CG PHE A 52 -10.934 -10.968 2.822 1.00 0.00 C ATOM 801 CD1 PHE A 52 -10.447 -11.478 3.985 1.00 0.00 C ATOM 802 CD2 PHE A 52 -10.921 -9.624 2.611 1.00 0.00 C ATOM 803 CE1 PHE A 52 -9.925 -10.608 4.978 1.00 0.00 C ATOM 804 CE2 PHE A 52 -10.399 -8.755 3.604 1.00 0.00 C ATOM 805 CZ PHE A 52 -9.912 -9.265 4.767 1.00 0.00 C ATOM 0 H PHE A 52 -10.822 -14.414 1.831 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.877 -12.760 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.668 -12.323 1.178 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.103 -11.324 1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.457 -12.545 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.308 -9.219 1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.538 -11.013 5.901 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.388 -7.688 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.515 -8.603 5.523 1.00 0.00 H new ATOM 815 N ASP A 53 -14.628 -13.156 1.557 1.00 0.00 N ATOM 816 CA ASP A 53 -15.715 -13.488 0.652 1.00 0.00 C ATOM 817 C ASP A 53 -17.000 -12.811 1.134 1.00 0.00 C ATOM 818 O ASP A 53 -17.436 -13.030 2.263 1.00 0.00 O ATOM 819 CB ASP A 53 -15.962 -14.998 0.618 1.00 0.00 C ATOM 820 CG ASP A 53 -15.005 -15.829 1.476 1.00 0.00 C ATOM 821 OD1 ASP A 53 -15.017 -15.741 2.713 1.00 0.00 O ATOM 822 OD2 ASP A 53 -14.212 -16.602 0.815 1.00 0.00 O ATOM 0 H ASP A 53 -14.915 -12.679 2.411 1.00 0.00 H new ATOM 0 HA ASP A 53 -15.440 -13.144 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.983 -15.192 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.890 -15.340 -0.415 1.00 0.00 H new ATOM 828 N SER A 54 -17.569 -12.000 0.254 1.00 0.00 N ATOM 829 CA SER A 54 -18.795 -11.289 0.576 1.00 0.00 C ATOM 830 C SER A 54 -18.774 -10.846 2.040 1.00 0.00 C ATOM 831 O SER A 54 -18.347 -9.735 2.350 1.00 0.00 O ATOM 832 CB SER A 54 -20.024 -12.158 0.302 1.00 0.00 C ATOM 833 OG SER A 54 -20.357 -12.190 -1.084 1.00 0.00 O ATOM 0 H SER A 54 -17.204 -11.819 -0.681 1.00 0.00 H new ATOM 0 HA SER A 54 -18.857 -10.408 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.836 -13.173 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.872 -11.776 0.870 1.00 0.00 H new ATOM 0 HG SER A 54 -21.146 -12.756 -1.218 1.00 0.00 H new ATOM 839 N LEU A 55 -19.241 -11.737 2.902 1.00 0.00 N ATOM 840 CA LEU A 55 -19.281 -11.452 4.326 1.00 0.00 C ATOM 841 C LEU A 55 -17.968 -10.788 4.746 1.00 0.00 C ATOM 842 O LEU A 55 -17.942 -9.598 5.057 1.00 0.00 O ATOM 843 CB LEU A 55 -19.610 -12.720 5.117 1.00 0.00 C ATOM 844 CG LEU A 55 -21.089 -12.949 5.433 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.511 -14.376 5.078 1.00 0.00 C ATOM 846 CD2 LEU A 55 -21.398 -12.606 6.892 1.00 0.00 C ATOM 0 H LEU A 55 -19.595 -12.657 2.641 1.00 0.00 H new ATOM 0 HA LEU A 55 -20.081 -10.747 4.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.241 -13.579 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.058 -12.691 6.057 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.679 -12.275 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.567 -14.512 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.350 -14.549 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.917 -15.085 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.456 -12.778 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.799 -13.237 7.549 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.159 -11.559 7.078 1.00 0.00 H new ATOM 858 N ALA A 56 -16.910 -11.586 4.741 1.00 0.00 N ATOM 859 CA ALA A 56 -15.597 -11.091 5.118 1.00 0.00 C ATOM 860 C ALA A 56 -15.215 -9.926 4.203 1.00 0.00 C ATOM 861 O ALA A 56 -14.467 -9.036 4.605 1.00 0.00 O ATOM 862 CB ALA A 56 -14.584 -12.236 5.060 1.00 0.00 C ATOM 0 H ALA A 56 -16.936 -12.572 4.482 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.606 -10.717 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.599 -11.865 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.886 -13.025 5.749 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.544 -12.635 4.047 1.00 0.00 H new ATOM 868 N ALA A 57 -15.744 -9.970 2.989 1.00 0.00 N ATOM 869 CA ALA A 57 -15.468 -8.930 2.013 1.00 0.00 C ATOM 870 C ALA A 57 -16.130 -7.626 2.463 1.00 0.00 C ATOM 871 O ALA A 57 -15.649 -6.539 2.144 1.00 0.00 O ATOM 872 CB ALA A 57 -15.949 -9.383 0.634 1.00 0.00 C ATOM 0 H ALA A 57 -16.363 -10.711 2.659 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.396 -8.747 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.742 -8.602 -0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.427 -10.296 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.022 -9.574 0.667 1.00 0.00 H new ATOM 878 N VAL A 58 -17.222 -7.777 3.197 1.00 0.00 N ATOM 879 CA VAL A 58 -17.955 -6.625 3.694 1.00 0.00 C ATOM 880 C VAL A 58 -17.422 -6.244 5.077 1.00 0.00 C ATOM 881 O VAL A 58 -17.130 -5.077 5.334 1.00 0.00 O ATOM 882 CB VAL A 58 -19.456 -6.919 3.692 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.185 -6.058 4.726 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.052 -6.721 2.297 1.00 0.00 C ATOM 0 H VAL A 58 -17.617 -8.680 3.460 1.00 0.00 H new ATOM 0 HA VAL A 58 -17.805 -5.766 3.040 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.592 -7.964 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.250 -6.287 4.704 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.789 -6.269 5.719 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.035 -5.004 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.120 -6.937 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -19.898 -5.690 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -19.563 -7.395 1.594 1.00 0.00 H new ATOM 894 N ARG A 59 -17.312 -7.251 5.931 1.00 0.00 N ATOM 895 CA ARG A 59 -16.819 -7.037 7.281 1.00 0.00 C ATOM 896 C ARG A 59 -15.554 -6.177 7.254 1.00 0.00 C ATOM 897 O ARG A 59 -15.353 -5.336 8.129 1.00 0.00 O ATOM 898 CB ARG A 59 -16.509 -8.367 7.972 1.00 0.00 C ATOM 899 CG ARG A 59 -17.327 -8.521 9.255 1.00 0.00 C ATOM 900 CD ARG A 59 -16.497 -9.180 10.359 1.00 0.00 C ATOM 901 NE ARG A 59 -17.351 -9.464 11.534 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.879 -9.877 12.730 1.00 0.00 C ATOM 903 NH1 ARG A 59 -15.555 -10.059 12.918 1.00 0.00 N ATOM 904 NH2 ARG A 59 -17.733 -10.101 13.711 1.00 0.00 N ATOM 0 H ARG A 59 -17.556 -8.217 5.714 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.600 -6.523 7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.729 -9.193 7.295 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.446 -8.421 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -17.673 -7.543 9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.214 -9.121 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.054 -10.105 9.989 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.674 -8.525 10.647 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.359 -9.340 11.434 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.903 -9.884 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.207 -10.371 13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.732 -9.962 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.394 -10.413 14.621 1.00 0.00 H new ATOM 917 N LEU A 60 -14.735 -6.417 6.241 1.00 0.00 N ATOM 918 CA LEU A 60 -13.495 -5.675 6.089 1.00 0.00 C ATOM 919 C LEU A 60 -13.811 -4.255 5.615 1.00 0.00 C ATOM 920 O LEU A 60 -13.549 -3.287 6.327 1.00 0.00 O ATOM 921 CB LEU A 60 -12.529 -6.429 5.173 1.00 0.00 C ATOM 922 CG LEU A 60 -11.085 -5.923 5.161 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.771 -5.190 3.855 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.797 -5.057 6.388 1.00 0.00 C ATOM 0 H LEU A 60 -14.906 -7.115 5.517 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.984 -5.585 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.523 -7.478 5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.917 -6.387 4.155 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.421 -6.786 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.739 -4.841 3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.910 -5.869 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.441 -4.337 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.764 -4.711 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.468 -4.198 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.953 -5.644 7.293 1.00 0.00 H new ATOM 936 N ARG A 61 -14.369 -4.176 4.416 1.00 0.00 N ATOM 937 CA ARG A 61 -14.723 -2.890 3.839 1.00 0.00 C ATOM 938 C ARG A 61 -15.476 -2.038 4.863 1.00 0.00 C ATOM 939 O ARG A 61 -15.463 -0.810 4.784 1.00 0.00 O ATOM 940 CB ARG A 61 -15.595 -3.067 2.594 1.00 0.00 C ATOM 941 CG ARG A 61 -15.756 -1.742 1.845 1.00 0.00 C ATOM 942 CD ARG A 61 -16.900 -0.915 2.434 1.00 0.00 C ATOM 943 NE ARG A 61 -17.970 -0.742 1.426 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.004 -1.595 1.265 1.00 0.00 C ATOM 945 NH1 ARG A 61 -19.116 -2.691 2.046 1.00 0.00 N ATOM 946 NH2 ARG A 61 -19.903 -1.343 0.333 1.00 0.00 N ATOM 0 H ARG A 61 -14.585 -4.981 3.828 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.798 -2.389 3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -15.147 -3.810 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -16.575 -3.447 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.827 -1.174 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.949 -1.938 0.790 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.299 -1.410 3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.529 0.059 2.753 1.00 0.00 H new ATOM 0 HE ARG A 61 -17.923 0.073 0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -18.416 -2.879 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.900 -3.330 1.918 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -19.811 -0.513 -0.253 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.690 -1.978 0.199 1.00 0.00 H new ATOM 959 N ASN A 62 -16.114 -2.722 5.801 1.00 0.00 N ATOM 960 CA ASN A 62 -16.870 -2.043 6.839 1.00 0.00 C ATOM 961 C ASN A 62 -15.900 -1.400 7.833 1.00 0.00 C ATOM 962 O ASN A 62 -16.114 -0.270 8.271 1.00 0.00 O ATOM 963 CB ASN A 62 -17.753 -3.027 7.610 1.00 0.00 C ATOM 964 CG ASN A 62 -19.231 -2.811 7.281 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.885 -1.919 7.797 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.720 -3.674 6.395 1.00 0.00 N ATOM 0 H ASN A 62 -16.123 -3.740 5.864 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.499 -1.291 6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.467 -4.049 7.362 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.593 -2.902 8.681 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.697 -3.613 6.109 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.118 -4.397 6.001 1.00 0.00 H new ATOM 973 N LEU A 63 -14.856 -2.147 8.159 1.00 0.00 N ATOM 974 CA LEU A 63 -13.853 -1.663 9.093 1.00 0.00 C ATOM 975 C LEU A 63 -12.940 -0.662 8.381 1.00 0.00 C ATOM 976 O LEU A 63 -12.464 0.293 8.993 1.00 0.00 O ATOM 977 CB LEU A 63 -13.102 -2.835 9.727 1.00 0.00 C ATOM 978 CG LEU A 63 -11.918 -2.467 10.624 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.340 -1.474 11.709 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.269 -3.720 11.216 1.00 0.00 C ATOM 0 H LEU A 63 -14.683 -3.083 7.794 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.327 -1.133 9.919 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.810 -3.419 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.740 -3.483 8.929 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.165 -1.973 10.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.480 -1.229 12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.720 -0.565 11.242 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.120 -1.919 12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.430 -3.431 11.849 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.003 -4.263 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.911 -4.360 10.410 1.00 0.00 H new ATOM 992 N LEU A 64 -12.725 -0.914 7.098 1.00 0.00 N ATOM 993 CA LEU A 64 -11.878 -0.047 6.297 1.00 0.00 C ATOM 994 C LEU A 64 -12.576 1.301 6.102 1.00 0.00 C ATOM 995 O LEU A 64 -11.967 2.254 5.619 1.00 0.00 O ATOM 996 CB LEU A 64 -11.494 -0.736 4.986 1.00 0.00 C ATOM 997 CG LEU A 64 -10.608 -1.977 5.115 1.00 0.00 C ATOM 998 CD1 LEU A 64 -9.739 -2.162 3.869 1.00 0.00 C ATOM 999 CD2 LEU A 64 -9.772 -1.923 6.395 1.00 0.00 C ATOM 0 H LEU A 64 -13.123 -1.706 6.594 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.939 0.151 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.409 -1.020 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.980 -0.011 4.355 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.254 -2.852 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.119 -3.051 3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.378 -2.278 2.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.100 -1.289 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.151 -2.817 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.134 -1.039 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.434 -1.875 7.260 1.00 0.00 H new ATOM 1011 N ASN A 65 -13.843 1.337 6.488 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.629 2.552 6.361 1.00 0.00 C ATOM 1013 C ASN A 65 -14.266 3.510 7.498 1.00 0.00 C ATOM 1014 O ASN A 65 -14.677 4.669 7.493 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.126 2.251 6.456 1.00 0.00 C ATOM 1016 CG ASN A 65 -16.901 2.966 5.347 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.203 4.145 5.426 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.203 2.188 4.312 1.00 0.00 N ATOM 0 H ASN A 65 -14.344 0.544 6.889 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.411 2.995 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.290 1.176 6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.503 2.566 7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.718 2.571 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.919 1.208 4.311 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.500 2.989 8.446 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.077 3.784 9.586 1.00 0.00 C ATOM 1027 C ALA A 66 -11.760 4.487 9.252 1.00 0.00 C ATOM 1028 O ALA A 66 -11.432 5.513 9.847 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.962 2.886 10.820 1.00 0.00 C ATOM 0 H ALA A 66 -13.162 2.027 8.448 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.814 4.555 9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.645 3.482 11.676 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.931 2.434 11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.229 2.102 10.632 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.041 3.908 8.301 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.768 4.467 7.881 1.00 0.00 C ATOM 1037 C ALA A 67 -9.987 5.367 6.663 1.00 0.00 C ATOM 1038 O ALA A 67 -9.036 5.931 6.125 1.00 0.00 O ATOM 1039 CB ALA A 67 -8.781 3.332 7.598 1.00 0.00 C ATOM 0 H ALA A 67 -11.316 3.058 7.810 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.340 5.083 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.825 3.751 7.283 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.637 2.741 8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.176 2.695 6.807 1.00 0.00 H new ATOM 1045 N THR A 68 -11.246 5.472 6.265 1.00 0.00 N ATOM 1046 CA THR A 68 -11.603 6.293 5.120 1.00 0.00 C ATOM 1047 C THR A 68 -12.722 7.268 5.492 1.00 0.00 C ATOM 1048 O THR A 68 -12.546 8.483 5.406 1.00 0.00 O ATOM 1049 CB THR A 68 -11.968 5.360 3.964 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.721 4.320 4.582 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.749 4.643 3.382 1.00 0.00 C ATOM 0 H THR A 68 -12.032 5.002 6.715 1.00 0.00 H new ATOM 0 HA THR A 68 -10.766 6.914 4.802 1.00 0.00 H new ATOM 0 HB THR A 68 -12.461 5.932 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.124 3.579 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.064 3.994 2.565 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.039 5.380 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.274 4.044 4.159 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.848 6.700 5.896 1.00 0.00 N ATOM 1060 CA GLY A 69 -14.996 7.504 6.281 1.00 0.00 C ATOM 1061 C GLY A 69 -15.811 7.919 5.054 1.00 0.00 C ATOM 1062 O GLY A 69 -16.544 8.906 5.096 1.00 0.00 O ATOM 0 H GLY A 69 -13.990 5.692 5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.627 6.939 6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.660 8.392 6.816 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.655 7.144 3.990 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.367 7.419 2.754 1.00 0.00 C ATOM 1068 C LEU A 70 -16.960 6.117 2.211 1.00 0.00 C ATOM 1069 O LEU A 70 -16.830 5.064 2.835 1.00 0.00 O ATOM 1070 CB LEU A 70 -15.456 8.141 1.760 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.998 7.675 1.726 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -13.885 6.270 1.132 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -13.118 8.683 0.985 1.00 0.00 C ATOM 0 H LEU A 70 -15.046 6.326 3.959 1.00 0.00 H new ATOM 0 HA LEU A 70 -17.200 8.097 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.877 8.025 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -15.471 9.206 1.991 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.633 7.621 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.839 5.963 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.461 5.571 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.274 6.273 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.087 8.328 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.474 8.793 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.165 9.648 1.490 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.598 6.230 1.056 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.211 5.075 0.423 1.00 0.00 C ATOM 1087 C ARG A 71 -17.188 4.343 -0.448 1.00 0.00 C ATOM 1088 O ARG A 71 -16.822 4.824 -1.519 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.403 5.489 -0.442 1.00 0.00 C ATOM 1090 CG ARG A 71 -18.948 6.324 -1.641 1.00 0.00 C ATOM 1091 CD ARG A 71 -20.083 7.214 -2.152 1.00 0.00 C ATOM 1092 NE ARG A 71 -20.196 8.425 -1.308 1.00 0.00 N ATOM 1093 CZ ARG A 71 -21.046 8.544 -0.267 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -21.867 7.526 0.069 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -21.064 9.672 0.419 1.00 0.00 N ATOM 0 H ARG A 71 -17.704 7.104 0.542 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.563 4.411 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.929 4.601 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.110 6.062 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -18.097 6.942 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -18.610 5.665 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.895 7.499 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -21.023 6.662 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.594 9.219 -1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.848 6.658 -0.466 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -22.506 7.625 0.858 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.441 10.437 0.159 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.701 9.778 1.209 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.757 3.191 0.044 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.784 2.387 -0.676 1.00 0.00 C ATOM 1110 C LEU A 72 -16.514 1.315 -1.487 1.00 0.00 C ATOM 1111 O LEU A 72 -17.650 0.961 -1.174 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.737 1.823 0.287 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.656 2.801 0.750 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -12.965 2.295 2.018 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.656 3.085 -0.372 1.00 0.00 C ATOM 0 H LEU A 72 -17.064 2.795 0.933 1.00 0.00 H new ATOM 0 HA LEU A 72 -15.232 3.003 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.252 1.438 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.250 0.975 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.137 3.747 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.201 3.009 2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.701 2.185 2.814 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.500 1.330 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.898 3.783 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.177 2.154 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.179 3.520 -1.224 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.815 0.814 -2.541 1.00 0.00 N ATOM 1128 CA PRO A 73 -16.385 -0.210 -3.399 1.00 0.00 C ATOM 1129 C PRO A 73 -16.379 -1.573 -2.704 1.00 0.00 C ATOM 1130 O PRO A 73 -15.512 -1.848 -1.876 1.00 0.00 O ATOM 1131 CB PRO A 73 -15.537 -0.183 -4.660 1.00 0.00 C ATOM 1132 CG PRO A 73 -14.246 0.524 -4.280 1.00 0.00 C ATOM 1133 CD PRO A 73 -14.468 1.210 -2.941 1.00 0.00 C ATOM 0 HA PRO A 73 -17.433 -0.025 -3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.338 -1.193 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -16.049 0.345 -5.464 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.425 -0.190 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.971 1.253 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.728 0.894 -2.206 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.384 2.293 -3.032 1.00 0.00 H new ATOM 1141 N SER A 74 -17.357 -2.390 -3.066 1.00 0.00 N ATOM 1142 CA SER A 74 -17.476 -3.718 -2.487 1.00 0.00 C ATOM 1143 C SER A 74 -16.598 -4.705 -3.258 1.00 0.00 C ATOM 1144 O SER A 74 -16.298 -5.791 -2.764 1.00 0.00 O ATOM 1145 CB SER A 74 -18.931 -4.190 -2.487 1.00 0.00 C ATOM 1146 OG SER A 74 -19.370 -4.569 -3.788 1.00 0.00 O ATOM 0 H SER A 74 -18.074 -2.158 -3.753 1.00 0.00 H new ATOM 0 HA SER A 74 -17.137 -3.672 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.038 -5.036 -1.808 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.570 -3.393 -2.107 1.00 0.00 H new ATOM 0 HG SER A 74 -20.303 -4.866 -3.745 1.00 0.00 H new ATOM 1152 N THR A 75 -16.210 -4.293 -4.456 1.00 0.00 N ATOM 1153 CA THR A 75 -15.372 -5.127 -5.300 1.00 0.00 C ATOM 1154 C THR A 75 -13.897 -4.942 -4.937 1.00 0.00 C ATOM 1155 O THR A 75 -13.044 -5.710 -5.379 1.00 0.00 O ATOM 1156 CB THR A 75 -15.686 -4.790 -6.759 1.00 0.00 C ATOM 1157 OG1 THR A 75 -17.045 -4.363 -6.732 1.00 0.00 O ATOM 1158 CG2 THR A 75 -15.702 -6.030 -7.656 1.00 0.00 C ATOM 0 H THR A 75 -16.461 -3.392 -4.862 1.00 0.00 H new ATOM 0 HA THR A 75 -15.582 -6.185 -5.144 1.00 0.00 H new ATOM 0 HB THR A 75 -14.949 -4.080 -7.134 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.331 -4.123 -7.638 1.00 0.00 H new ATOM 0 HG21 THR A 75 -15.930 -5.735 -8.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.726 -6.513 -7.626 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.462 -6.726 -7.301 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.642 -3.917 -4.137 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.285 -3.621 -3.710 1.00 0.00 C ATOM 1168 C LEU A 76 -11.645 -4.890 -3.143 1.00 0.00 C ATOM 1169 O LEU A 76 -10.468 -5.156 -3.382 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.275 -2.440 -2.737 1.00 0.00 C ATOM 1171 CG LEU A 76 -12.418 -2.791 -1.254 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -13.734 -3.523 -0.988 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.208 -3.588 -0.761 1.00 0.00 C ATOM 0 H LEU A 76 -14.352 -3.281 -3.773 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.678 -3.309 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.343 -1.892 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.085 -1.763 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 76 -12.446 -1.862 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.810 -3.761 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -14.570 -2.886 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.762 -4.445 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.334 -3.825 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.124 -4.512 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.303 -2.995 -0.894 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.448 -5.640 -2.402 1.00 0.00 N ATOM 1186 CA VAL A 77 -11.975 -6.874 -1.800 1.00 0.00 C ATOM 1187 C VAL A 77 -11.567 -7.852 -2.904 1.00 0.00 C ATOM 1188 O VAL A 77 -10.817 -8.795 -2.657 1.00 0.00 O ATOM 1189 CB VAL A 77 -13.043 -7.442 -0.863 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.899 -8.959 -0.722 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.993 -6.758 0.505 1.00 0.00 C ATOM 0 H VAL A 77 -13.423 -5.416 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.092 -6.687 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 77 -14.018 -7.237 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.670 -9.337 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -13.008 -9.427 -1.700 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.916 -9.195 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.762 -7.180 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.013 -6.917 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -13.168 -5.689 0.384 1.00 0.00 H new ATOM 1201 N PHE A 78 -12.080 -7.594 -4.098 1.00 0.00 N ATOM 1202 CA PHE A 78 -11.778 -8.439 -5.240 1.00 0.00 C ATOM 1203 C PHE A 78 -10.952 -7.681 -6.281 1.00 0.00 C ATOM 1204 O PHE A 78 -10.532 -8.255 -7.285 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.116 -8.842 -5.864 1.00 0.00 C ATOM 1206 CG PHE A 78 -13.460 -10.323 -5.695 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.913 -10.784 -4.498 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -13.315 -11.179 -6.742 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.232 -12.159 -4.342 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -13.634 -12.554 -6.586 1.00 0.00 C ATOM 1211 CZ PHE A 78 -14.087 -13.015 -5.389 1.00 0.00 C ATOM 0 H PHE A 78 -12.703 -6.812 -4.299 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.200 -9.306 -4.919 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -13.909 -8.242 -5.417 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.096 -8.603 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -14.030 -10.105 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -12.957 -10.813 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -14.590 -12.525 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -13.517 -13.233 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 78 -14.331 -14.060 -5.270 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.742 -6.402 -6.005 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.973 -5.559 -6.905 1.00 0.00 C ATOM 1223 C ASP A 79 -8.576 -5.338 -6.321 1.00 0.00 C ATOM 1224 O ASP A 79 -7.656 -4.943 -7.035 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.635 -4.191 -7.079 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.116 -3.366 -8.258 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -8.899 -3.218 -8.447 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -11.031 -2.857 -9.012 1.00 0.00 O ATOM 0 H ASP A 79 -11.091 -5.929 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.920 -6.059 -7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.708 -4.337 -7.202 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.494 -3.617 -6.163 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.463 -5.601 -5.027 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.194 -5.435 -4.339 1.00 0.00 C ATOM 1236 C HIS A 80 -6.587 -6.809 -4.044 1.00 0.00 C ATOM 1237 O HIS A 80 -7.079 -7.538 -3.184 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.366 -4.581 -3.081 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.632 -5.380 -1.828 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.910 -5.650 -1.368 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.774 -5.964 -0.944 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.812 -6.364 -0.257 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.487 -6.557 0.005 1.00 0.00 N ATOM 0 H HIS A 80 -9.229 -5.928 -4.438 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.496 -4.897 -4.980 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.466 -3.983 -2.934 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.190 -3.884 -3.237 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.696 -5.947 -1.006 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.636 -6.729 0.337 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -7.107 -7.072 0.799 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.498 -7.128 -4.793 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.818 -8.401 -4.621 1.00 0.00 C ATOM 1253 C PRO A 81 -3.981 -8.407 -3.340 1.00 0.00 C ATOM 1254 O PRO A 81 -3.600 -9.468 -2.848 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.981 -8.573 -5.878 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.860 -7.187 -6.491 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.887 -6.289 -5.820 1.00 0.00 C ATOM 0 HA PRO A 81 -5.510 -9.235 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.999 -8.982 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.456 -9.267 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.855 -6.792 -6.346 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.034 -7.229 -7.566 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.417 -5.408 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.629 -5.934 -6.535 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.720 -7.209 -2.836 1.00 0.00 N ATOM 1266 CA ASN A 82 -2.936 -7.063 -1.622 1.00 0.00 C ATOM 1267 C ASN A 82 -3.277 -5.728 -0.957 1.00 0.00 C ATOM 1268 O ASN A 82 -3.766 -4.810 -1.614 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.437 -7.068 -1.930 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.174 -6.646 -3.377 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.873 -5.501 -3.672 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.304 -7.631 -4.261 1.00 0.00 N ATOM 0 H ASN A 82 -4.038 -6.331 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.172 -7.901 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.920 -6.391 -1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.030 -8.064 -1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -1.149 -7.450 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.558 -8.568 -3.947 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.007 -5.662 0.338 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.279 -4.455 1.100 1.00 0.00 C ATOM 1281 C ALA A 83 -2.677 -3.252 0.372 1.00 0.00 C ATOM 1282 O ALA A 83 -3.343 -2.233 0.193 1.00 0.00 O ATOM 1283 CB ALA A 83 -2.731 -4.612 2.519 1.00 0.00 C ATOM 0 H ALA A 83 -2.602 -6.426 0.880 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.353 -4.287 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.935 -3.706 3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.212 -5.462 3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.655 -4.779 2.477 1.00 0.00 H new ATOM 1289 N SER A 84 -1.424 -3.409 -0.028 1.00 0.00 N ATOM 1290 CA SER A 84 -0.724 -2.348 -0.732 1.00 0.00 C ATOM 1291 C SER A 84 -1.624 -1.760 -1.821 1.00 0.00 C ATOM 1292 O SER A 84 -1.462 -0.604 -2.208 1.00 0.00 O ATOM 1293 CB SER A 84 0.582 -2.860 -1.343 1.00 0.00 C ATOM 1294 OG SER A 84 1.686 -2.017 -1.026 1.00 0.00 O ATOM 0 H SER A 84 -0.875 -4.255 0.122 1.00 0.00 H new ATOM 0 HA SER A 84 -0.476 -1.567 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.781 -3.869 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.475 -2.925 -2.426 1.00 0.00 H new ATOM 0 HG SER A 84 2.501 -2.379 -1.433 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.554 -2.583 -2.284 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.480 -2.159 -3.320 1.00 0.00 C ATOM 1302 C ALA A 85 -4.692 -1.487 -2.671 1.00 0.00 C ATOM 1303 O ALA A 85 -5.038 -0.358 -3.014 1.00 0.00 O ATOM 1304 CB ALA A 85 -3.872 -3.363 -4.178 1.00 0.00 C ATOM 0 H ALA A 85 -2.686 -3.541 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.011 -1.428 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.567 -3.045 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.980 -3.787 -4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.349 -4.117 -3.551 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.304 -2.210 -1.744 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.469 -1.698 -1.044 1.00 0.00 C ATOM 1312 C VAL A 86 -6.125 -0.350 -0.408 1.00 0.00 C ATOM 1313 O VAL A 86 -6.927 0.582 -0.449 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.965 -2.730 -0.028 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -6.413 -2.434 1.368 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.493 -2.793 -0.012 1.00 0.00 C ATOM 0 H VAL A 86 -5.014 -3.146 -1.462 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.289 -1.528 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.593 -3.708 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.781 -3.182 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.324 -2.464 1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.741 -1.445 1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.819 -3.534 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.895 -1.816 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.856 -3.074 -1.001 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.933 -0.290 0.166 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.473 0.928 0.810 1.00 0.00 C ATOM 1328 C ALA A 87 -4.587 2.095 -0.174 1.00 0.00 C ATOM 1329 O ALA A 87 -4.933 3.209 0.216 1.00 0.00 O ATOM 1330 CB ALA A 87 -3.043 0.730 1.316 1.00 0.00 C ATOM 0 H ALA A 87 -4.271 -1.066 0.199 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.095 1.163 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.698 1.644 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.021 -0.090 2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.389 0.495 0.476 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.289 1.798 -1.430 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.353 2.808 -2.473 1.00 0.00 C ATOM 1338 C GLY A 88 -5.804 3.184 -2.783 1.00 0.00 C ATOM 1339 O GLY A 88 -6.201 4.335 -2.611 1.00 0.00 O ATOM 0 H GLY A 88 -4.003 0.873 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.803 3.695 -2.160 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.869 2.435 -3.376 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.555 2.191 -3.235 1.00 0.00 N ATOM 1344 CA PHE A 89 -7.953 2.403 -3.571 1.00 0.00 C ATOM 1345 C PHE A 89 -8.640 3.284 -2.526 1.00 0.00 C ATOM 1346 O PHE A 89 -9.534 4.062 -2.856 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.624 1.028 -3.582 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.218 0.636 -4.936 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.476 1.034 -5.267 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -8.490 -0.110 -5.809 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.028 0.671 -6.524 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -9.042 -0.473 -7.065 1.00 0.00 C ATOM 1353 CZ PHE A 89 -10.299 -0.075 -7.396 1.00 0.00 C ATOM 0 H PHE A 89 -6.222 1.237 -3.377 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.032 2.902 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.893 0.276 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.415 1.015 -2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.055 1.626 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.491 -0.426 -5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.027 0.987 -6.787 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -8.463 -1.066 -7.758 1.00 0.00 H new ATOM 0 HZ PHE A 89 -10.719 -0.351 -8.352 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.196 3.133 -1.287 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.758 3.906 -0.191 1.00 0.00 C ATOM 1365 C LEU A 90 -8.174 5.320 -0.219 1.00 0.00 C ATOM 1366 O LEU A 90 -8.899 6.298 -0.038 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.547 3.180 1.139 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.677 2.248 1.580 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -9.971 1.196 0.508 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.365 1.611 2.936 1.00 0.00 C ATOM 0 H LEU A 90 -7.454 2.487 -1.017 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.837 4.004 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.628 2.598 1.071 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.394 3.927 1.918 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.581 2.844 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.778 0.547 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.268 1.692 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.077 0.599 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.184 0.953 3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.444 1.033 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.244 2.393 3.686 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.871 5.384 -0.448 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.182 6.662 -0.502 1.00 0.00 C ATOM 1384 C ASP A 91 -6.735 7.486 -1.667 1.00 0.00 C ATOM 1385 O ASP A 91 -7.034 8.668 -1.509 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.682 6.470 -0.729 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.790 7.543 -0.101 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -3.751 7.703 1.128 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.106 8.244 -0.941 1.00 0.00 O ATOM 0 H ASP A 91 -6.274 4.571 -0.598 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.340 7.171 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.391 5.498 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.493 6.444 -1.802 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.855 6.827 -2.810 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.367 7.484 -4.001 1.00 0.00 C ATOM 1397 C ALA A 92 -8.770 8.024 -3.718 1.00 0.00 C ATOM 1398 O ALA A 92 -9.149 9.077 -4.228 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.347 6.502 -5.174 1.00 0.00 C ATOM 0 H ALA A 92 -6.607 5.846 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.736 8.331 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.731 6.994 -6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.324 6.170 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.972 5.640 -4.938 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.503 7.278 -2.904 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.856 7.669 -2.546 1.00 0.00 C ATOM 1407 C GLU A 93 -10.828 8.807 -1.525 1.00 0.00 C ATOM 1408 O GLU A 93 -11.779 9.581 -1.425 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.649 6.474 -2.013 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.072 5.544 -3.152 1.00 0.00 C ATOM 1411 CD GLU A 93 -13.593 5.539 -3.320 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.226 4.479 -3.202 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.117 6.689 -3.580 1.00 0.00 O ATOM 0 H GLU A 93 -9.185 6.405 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.359 8.026 -3.445 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.043 5.922 -1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.532 6.827 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.601 5.864 -4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.722 4.532 -2.949 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.726 8.874 -0.792 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.561 9.906 0.219 1.00 0.00 C ATOM 1423 C LEU A 94 -9.017 11.176 -0.439 1.00 0.00 C ATOM 1424 O LEU A 94 -9.244 12.280 0.053 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.696 9.392 1.372 1.00 0.00 C ATOM 1426 CG LEU A 94 -9.371 8.408 2.329 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -8.357 7.410 2.893 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -10.123 9.149 3.437 1.00 0.00 C ATOM 0 H LEU A 94 -8.939 8.231 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.523 10.163 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.813 8.911 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.348 10.249 1.949 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.109 7.835 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.862 6.722 3.570 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.906 6.848 2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.580 7.948 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.594 8.426 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.423 9.763 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.888 9.786 2.994 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.310 10.977 -1.542 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.733 12.092 -2.272 1.00 0.00 C ATOM 1442 C GLY A 95 -6.664 11.610 -3.255 1.00 0.00 C ATOM 1443 O GLY A 95 -6.720 11.924 -4.443 1.00 0.00 O ATOM 0 H GLY A 95 -8.124 10.060 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -8.517 12.622 -2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.294 12.802 -1.571 1.00 0.00 H new