USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 612 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 31 CYS SG : rot 22:sc= 0.937 USER MOD Set 1.2: A 52 SER OG : rot -140:sc= 0.206 USER MOD Set 1.3: A 54 SER OG : rot -129:sc= -0.25 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -170:sc= 0.00223 USER MOD Single : A 35 SER OG : rot 38:sc= 0.0354 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 170:sc= -1.27 USER MOD Single : A 47 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-1.3) USER MOD Single : A 64 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.1!) USER MOD Single : A 69 ASN : amide:sc= -7.31! C(o=-7.3!,f=-7.7!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.0396 X(o=0.04,f=-0.15) USER MOD Single : A 78 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0468 K(o=-0.047,f=-1.1) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0.074 USER MOD Single : A 92 THR OG1 : rot 83:sc= -2.36! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.995 -5.034 -13.647 1.00 0.00 N ATOM 188 CA GLU A 16 -3.610 -4.787 -13.286 1.00 0.00 C ATOM 189 C GLU A 16 -3.199 -3.371 -13.693 1.00 0.00 C ATOM 190 O GLU A 16 -2.687 -3.160 -14.791 1.00 0.00 O ATOM 191 CB GLU A 16 -2.684 -5.829 -13.918 1.00 0.00 C ATOM 192 CG GLU A 16 -2.546 -7.058 -13.017 1.00 0.00 C ATOM 193 CD GLU A 16 -1.850 -8.203 -13.756 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.830 -7.915 -14.418 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.355 -9.341 -13.641 1.00 0.00 O ATOM 0 HA GLU A 16 -3.517 -4.874 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.077 -6.128 -14.890 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.702 -5.390 -14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.977 -6.797 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.532 -7.382 -12.683 1.00 0.00 H new ATOM 202 N LYS A 17 -3.441 -2.436 -12.785 1.00 0.00 N ATOM 203 CA LYS A 17 -3.102 -1.045 -13.036 1.00 0.00 C ATOM 204 C LYS A 17 -1.991 -0.614 -12.077 1.00 0.00 C ATOM 205 O LYS A 17 -1.968 -1.031 -10.920 1.00 0.00 O ATOM 206 CB LYS A 17 -4.354 -0.167 -12.961 1.00 0.00 C ATOM 207 CG LYS A 17 -4.818 0.003 -11.513 1.00 0.00 C ATOM 208 CD LYS A 17 -5.355 1.416 -11.273 1.00 0.00 C ATOM 209 CE LYS A 17 -6.830 1.380 -10.868 1.00 0.00 C ATOM 210 NZ LYS A 17 -7.696 1.382 -12.068 1.00 0.00 N ATOM 0 H LYS A 17 -3.867 -2.614 -11.876 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.715 -0.924 -14.048 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.144 0.810 -13.397 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.153 -0.615 -13.552 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.594 -0.728 -11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.987 -0.195 -10.835 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.771 1.903 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.237 2.012 -12.178 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.028 0.490 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.063 2.242 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.694 1.357 -11.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.519 2.244 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.485 0.546 -12.650 1.00 0.00 H new ATOM 224 N LYS A 18 -1.096 0.216 -12.593 1.00 0.00 N ATOM 225 CA LYS A 18 0.015 0.708 -11.797 1.00 0.00 C ATOM 226 C LYS A 18 -0.350 2.071 -11.207 1.00 0.00 C ATOM 227 O LYS A 18 -0.781 2.969 -11.929 1.00 0.00 O ATOM 228 CB LYS A 18 1.302 0.720 -12.624 1.00 0.00 C ATOM 229 CG LYS A 18 2.511 1.063 -11.751 1.00 0.00 C ATOM 230 CD LYS A 18 2.983 2.496 -12.006 1.00 0.00 C ATOM 231 CE LYS A 18 3.862 2.569 -13.256 1.00 0.00 C ATOM 232 NZ LYS A 18 3.646 3.849 -13.967 1.00 0.00 N ATOM 0 H LYS A 18 -1.118 0.560 -13.553 1.00 0.00 H new ATOM 0 HA LYS A 18 0.209 0.039 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.449 -0.255 -13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.213 1.447 -13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.250 0.944 -10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.323 0.366 -11.959 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.120 3.151 -12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.541 2.858 -11.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.911 2.474 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.632 1.735 -13.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.250 3.882 -14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.648 3.924 -14.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.888 4.641 -13.338 1.00 0.00 H new ATOM 246 N VAL A 19 -0.164 2.184 -9.900 1.00 0.00 N ATOM 247 CA VAL A 19 -0.468 3.423 -9.205 1.00 0.00 C ATOM 248 C VAL A 19 0.737 3.836 -8.357 1.00 0.00 C ATOM 249 O VAL A 19 1.276 3.028 -7.603 1.00 0.00 O ATOM 250 CB VAL A 19 -1.749 3.261 -8.384 1.00 0.00 C ATOM 251 CG1 VAL A 19 -2.989 3.399 -9.270 1.00 0.00 C ATOM 252 CG2 VAL A 19 -1.756 1.927 -7.635 1.00 0.00 C ATOM 0 H VAL A 19 0.194 1.437 -9.304 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.654 4.226 -9.919 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.775 4.060 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.886 3.280 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.995 4.384 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.971 2.631 -10.044 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.677 1.838 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.694 1.107 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.901 1.884 -6.960 1.00 0.00 H new ATOM 262 N PHE A 20 1.124 5.094 -8.510 1.00 0.00 N ATOM 263 CA PHE A 20 2.255 5.625 -7.768 1.00 0.00 C ATOM 264 C PHE A 20 1.789 6.582 -6.669 1.00 0.00 C ATOM 265 O PHE A 20 1.231 7.639 -6.957 1.00 0.00 O ATOM 266 CB PHE A 20 3.122 6.395 -8.765 1.00 0.00 C ATOM 267 CG PHE A 20 4.626 6.260 -8.516 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.147 6.591 -7.304 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.441 5.809 -9.506 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.542 6.466 -7.073 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.837 5.683 -9.275 1.00 0.00 C ATOM 272 CZ PHE A 20 7.358 6.015 -8.063 1.00 0.00 C ATOM 0 H PHE A 20 0.674 5.761 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 20 2.805 4.811 -7.295 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.898 6.044 -9.772 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.851 7.450 -8.727 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.499 6.949 -6.517 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.027 5.546 -10.468 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.955 6.729 -6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.484 5.324 -10.061 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.419 5.920 -7.887 1.00 0.00 H new ATOM 282 N ILE A 21 2.036 6.177 -5.432 1.00 0.00 N ATOM 283 CA ILE A 21 1.649 6.986 -4.288 1.00 0.00 C ATOM 284 C ILE A 21 2.887 7.684 -3.721 1.00 0.00 C ATOM 285 O ILE A 21 3.780 7.031 -3.183 1.00 0.00 O ATOM 286 CB ILE A 21 0.897 6.136 -3.262 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.394 5.572 -3.857 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.638 6.929 -1.979 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.478 6.649 -3.939 1.00 0.00 C ATOM 0 H ILE A 21 2.499 5.299 -5.197 1.00 0.00 H new ATOM 0 HA ILE A 21 0.953 7.768 -4.591 1.00 0.00 H new ATOM 0 HB ILE A 21 1.526 5.287 -2.995 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.196 5.174 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.747 4.741 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.102 6.302 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.588 7.241 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.039 7.810 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.385 6.221 -4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.691 7.028 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.131 7.467 -4.571 1.00 0.00 H new ATOM 301 N SER A 22 2.900 9.001 -3.860 1.00 0.00 N ATOM 302 CA SER A 22 4.013 9.795 -3.368 1.00 0.00 C ATOM 303 C SER A 22 3.607 10.528 -2.087 1.00 0.00 C ATOM 304 O SER A 22 2.505 11.066 -1.998 1.00 0.00 O ATOM 305 CB SER A 22 4.486 10.795 -4.424 1.00 0.00 C ATOM 306 OG SER A 22 5.506 11.656 -3.926 1.00 0.00 O ATOM 0 H SER A 22 2.157 9.539 -4.307 1.00 0.00 H new ATOM 0 HA SER A 22 4.842 9.122 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.861 10.254 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.640 11.393 -4.761 1.00 0.00 H new ATOM 0 HG SER A 22 5.782 12.278 -4.631 1.00 0.00 H new ATOM 312 N LEU A 23 4.520 10.525 -1.127 1.00 0.00 N ATOM 313 CA LEU A 23 4.272 11.183 0.144 1.00 0.00 C ATOM 314 C LEU A 23 5.354 12.236 0.389 1.00 0.00 C ATOM 315 O LEU A 23 6.094 12.155 1.369 1.00 0.00 O ATOM 316 CB LEU A 23 4.153 10.151 1.267 1.00 0.00 C ATOM 317 CG LEU A 23 2.853 9.344 1.302 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.634 10.265 1.218 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.841 8.276 0.207 1.00 0.00 C ATOM 0 H LEU A 23 5.433 10.077 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 23 3.317 11.707 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.987 9.455 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.263 10.667 2.221 1.00 0.00 H new ATOM 0 HG LEU A 23 2.799 8.824 2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.723 9.667 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.640 10.955 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.669 10.831 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.906 7.717 0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.929 8.754 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.679 7.595 0.354 1.00 0.00 H new ATOM 415 N GLY A 30 -5.395 8.233 2.365 1.00 0.00 N ATOM 416 CA GLY A 30 -6.648 8.259 3.100 1.00 0.00 C ATOM 417 C GLY A 30 -7.443 6.971 2.875 1.00 0.00 C ATOM 418 O GLY A 30 -8.670 6.972 2.955 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.447 8.385 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.241 9.117 2.784 1.00 0.00 H new ATOM 422 N CYS A 31 -6.710 5.902 2.596 1.00 0.00 N ATOM 423 CA CYS A 31 -7.331 4.611 2.358 1.00 0.00 C ATOM 424 C CYS A 31 -6.789 3.619 3.390 1.00 0.00 C ATOM 425 O CYS A 31 -5.632 3.713 3.798 1.00 0.00 O ATOM 426 CB CYS A 31 -7.099 4.127 0.925 1.00 0.00 C ATOM 427 SG CYS A 31 -5.307 3.923 0.616 1.00 0.00 S ATOM 0 H CYS A 31 -5.692 5.905 2.530 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.412 4.698 2.472 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.614 3.180 0.764 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.519 4.842 0.218 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.685 3.777 1.748 1.00 0.00 H new ATOM 433 N SER A 32 -7.650 2.692 3.782 1.00 0.00 N ATOM 434 CA SER A 32 -7.272 1.685 4.759 1.00 0.00 C ATOM 435 C SER A 32 -7.049 0.341 4.064 1.00 0.00 C ATOM 436 O SER A 32 -7.792 -0.023 3.153 1.00 0.00 O ATOM 437 CB SER A 32 -8.337 1.548 5.849 1.00 0.00 C ATOM 438 OG SER A 32 -7.806 1.801 7.148 1.00 0.00 O ATOM 0 H SER A 32 -8.608 2.617 3.441 1.00 0.00 H new ATOM 0 HA SER A 32 -6.343 2.001 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.152 2.243 5.649 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.760 0.544 5.819 1.00 0.00 H new ATOM 0 HG SER A 32 -8.517 1.705 7.816 1.00 0.00 H new ATOM 444 N ILE A 33 -6.022 -0.362 4.520 1.00 0.00 N ATOM 445 CA ILE A 33 -5.692 -1.658 3.953 1.00 0.00 C ATOM 446 C ILE A 33 -6.102 -2.758 4.934 1.00 0.00 C ATOM 447 O ILE A 33 -6.080 -2.554 6.147 1.00 0.00 O ATOM 448 CB ILE A 33 -4.215 -1.709 3.556 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.314 -1.396 4.753 1.00 0.00 C ATOM 450 CG2 ILE A 33 -3.934 -0.783 2.371 1.00 0.00 C ATOM 451 CD1 ILE A 33 -1.967 -2.111 4.626 1.00 0.00 C ATOM 0 H ILE A 33 -5.408 -0.058 5.276 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.252 -1.825 3.033 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.983 -2.724 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.154 -0.320 4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.808 -1.704 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.877 -0.838 2.109 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.536 -1.092 1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.188 0.242 2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.345 -1.872 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.129 -3.188 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.465 -1.783 3.716 1.00 0.00 H new ATOM 463 N SER A 34 -6.469 -3.901 4.373 1.00 0.00 N ATOM 464 CA SER A 34 -6.884 -5.034 5.182 1.00 0.00 C ATOM 465 C SER A 34 -6.017 -6.253 4.861 1.00 0.00 C ATOM 466 O SER A 34 -5.268 -6.246 3.885 1.00 0.00 O ATOM 467 CB SER A 34 -8.362 -5.359 4.958 1.00 0.00 C ATOM 468 OG SER A 34 -8.540 -6.407 4.009 1.00 0.00 O ATOM 0 H SER A 34 -6.487 -4.067 3.367 1.00 0.00 H new ATOM 0 HA SER A 34 -6.753 -4.770 6.232 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.818 -5.647 5.906 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.882 -4.465 4.613 1.00 0.00 H new ATOM 0 HG SER A 34 -9.489 -6.479 3.775 1.00 0.00 H new ATOM 474 N SER A 35 -6.149 -7.270 5.699 1.00 0.00 N ATOM 475 CA SER A 35 -5.387 -8.494 5.517 1.00 0.00 C ATOM 476 C SER A 35 -6.313 -9.623 5.061 1.00 0.00 C ATOM 477 O SER A 35 -7.305 -9.923 5.724 1.00 0.00 O ATOM 478 CB SER A 35 -4.662 -8.889 6.805 1.00 0.00 C ATOM 479 OG SER A 35 -5.520 -8.828 7.941 1.00 0.00 O ATOM 0 H SER A 35 -6.772 -7.272 6.506 1.00 0.00 H new ATOM 0 HA SER A 35 -4.634 -8.317 4.749 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.267 -9.900 6.703 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.810 -8.227 6.959 1.00 0.00 H new ATOM 0 HG SER A 35 -6.414 -9.144 7.693 1.00 0.00 H new ATOM 485 N GLY A 36 -5.956 -10.219 3.933 1.00 0.00 N ATOM 486 CA GLY A 36 -6.742 -11.309 3.381 1.00 0.00 C ATOM 487 C GLY A 36 -6.537 -12.595 4.184 1.00 0.00 C ATOM 488 O GLY A 36 -5.579 -12.708 4.947 1.00 0.00 O ATOM 0 H GLY A 36 -5.133 -9.968 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.798 -11.039 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.459 -11.476 2.342 1.00 0.00 H new ATOM 492 N PRO A 37 -7.476 -13.557 3.979 1.00 0.00 N ATOM 493 CA PRO A 37 -7.407 -14.831 4.675 1.00 0.00 C ATOM 494 C PRO A 37 -6.315 -15.722 4.081 1.00 0.00 C ATOM 495 O PRO A 37 -5.526 -15.273 3.252 1.00 0.00 O ATOM 496 CB PRO A 37 -8.799 -15.427 4.542 1.00 0.00 C ATOM 497 CG PRO A 37 -9.460 -14.690 3.388 1.00 0.00 C ATOM 498 CD PRO A 37 -8.624 -13.458 3.083 1.00 0.00 C ATOM 0 HA PRO A 37 -7.133 -14.723 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.748 -16.498 4.344 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.368 -15.300 5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.525 -15.334 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.479 -14.405 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.311 -13.441 2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.188 -12.543 3.262 1.00 0.00 H new ATOM 506 N ILE A 38 -6.305 -16.969 4.528 1.00 0.00 N ATOM 507 CA ILE A 38 -5.323 -17.928 4.051 1.00 0.00 C ATOM 508 C ILE A 38 -5.668 -18.334 2.617 1.00 0.00 C ATOM 509 O ILE A 38 -4.781 -18.657 1.829 1.00 0.00 O ATOM 510 CB ILE A 38 -5.215 -19.110 5.016 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.278 -20.186 4.463 1.00 0.00 C ATOM 512 CG2 ILE A 38 -6.598 -19.672 5.352 1.00 0.00 C ATOM 513 CD1 ILE A 38 -3.659 -21.008 5.595 1.00 0.00 C ATOM 0 H ILE A 38 -6.962 -17.338 5.216 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.331 -17.477 4.025 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.778 -18.751 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.830 -20.843 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.489 -19.718 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.493 -20.511 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.203 -18.895 5.818 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.085 -20.011 4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.997 -21.766 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.088 -20.351 6.251 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.450 -21.494 6.167 1.00 0.00 H new ATOM 525 N GLN A 39 -6.960 -18.305 2.322 1.00 0.00 N ATOM 526 CA GLN A 39 -7.433 -18.666 0.997 1.00 0.00 C ATOM 527 C GLN A 39 -7.193 -17.517 0.016 1.00 0.00 C ATOM 528 O GLN A 39 -6.990 -17.745 -1.176 1.00 0.00 O ATOM 529 CB GLN A 39 -8.911 -19.058 1.031 1.00 0.00 C ATOM 530 CG GLN A 39 -9.791 -17.854 1.372 1.00 0.00 C ATOM 531 CD GLN A 39 -11.221 -18.292 1.692 1.00 0.00 C ATOM 532 OE1 GLN A 39 -12.121 -18.211 0.872 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.380 -18.759 2.927 1.00 0.00 N ATOM 0 H GLN A 39 -7.693 -18.037 2.978 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.868 -19.533 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.205 -19.465 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.065 -19.846 1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.370 -17.322 2.225 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.800 -17.157 0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.584 -18.800 3.563 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.298 -19.077 3.238 1.00 0.00 H new ATOM 542 N LYS A 40 -7.224 -16.306 0.553 1.00 0.00 N ATOM 543 CA LYS A 40 -7.013 -15.121 -0.260 1.00 0.00 C ATOM 544 C LYS A 40 -6.129 -14.134 0.506 1.00 0.00 C ATOM 545 O LYS A 40 -6.559 -13.025 0.821 1.00 0.00 O ATOM 546 CB LYS A 40 -8.352 -14.530 -0.704 1.00 0.00 C ATOM 547 CG LYS A 40 -8.205 -13.770 -2.025 1.00 0.00 C ATOM 548 CD LYS A 40 -9.526 -13.113 -2.429 1.00 0.00 C ATOM 549 CE LYS A 40 -9.345 -12.234 -3.668 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.404 -13.055 -4.898 1.00 0.00 N ATOM 0 H LYS A 40 -7.392 -16.120 1.542 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.485 -15.378 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.086 -15.328 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.730 -13.858 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.431 -13.009 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.881 -14.455 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.272 -13.882 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.904 -12.510 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.122 -11.470 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.388 -11.714 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.279 -12.443 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.647 -13.768 -4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.327 -13.531 -4.954 1.00 0.00 H new ATOM 564 N PRO A 41 -4.877 -14.583 0.789 1.00 0.00 N ATOM 565 CA PRO A 41 -3.929 -13.752 1.512 1.00 0.00 C ATOM 566 C PRO A 41 -3.367 -12.651 0.610 1.00 0.00 C ATOM 567 O PRO A 41 -3.179 -12.860 -0.587 1.00 0.00 O ATOM 568 CB PRO A 41 -2.863 -14.714 2.011 1.00 0.00 C ATOM 569 CG PRO A 41 -3.003 -15.967 1.162 1.00 0.00 C ATOM 570 CD PRO A 41 -4.333 -15.890 0.431 1.00 0.00 C ATOM 0 HA PRO A 41 -4.386 -13.219 2.346 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.868 -14.282 1.908 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.005 -14.940 3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.180 -16.040 0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.963 -16.858 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.198 -15.981 -0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.001 -16.695 0.738 1.00 0.00 H new ATOM 578 N GLY A 42 -3.113 -11.503 1.220 1.00 0.00 N ATOM 579 CA GLY A 42 -2.576 -10.369 0.488 1.00 0.00 C ATOM 580 C GLY A 42 -2.914 -9.052 1.190 1.00 0.00 C ATOM 581 O GLY A 42 -3.076 -9.019 2.409 1.00 0.00 O ATOM 0 H GLY A 42 -3.269 -11.334 2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.494 -10.470 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.981 -10.360 -0.524 1.00 0.00 H new ATOM 585 N ILE A 43 -3.011 -8.000 0.391 1.00 0.00 N ATOM 586 CA ILE A 43 -3.327 -6.685 0.921 1.00 0.00 C ATOM 587 C ILE A 43 -4.399 -6.031 0.046 1.00 0.00 C ATOM 588 O ILE A 43 -4.165 -5.760 -1.131 1.00 0.00 O ATOM 589 CB ILE A 43 -2.056 -5.846 1.065 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.986 -6.603 1.854 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.367 -4.482 1.685 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.336 -6.656 3.342 1.00 0.00 C ATOM 0 H ILE A 43 -2.876 -8.032 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.742 -6.769 1.925 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.653 -5.663 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.890 -7.616 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.019 -6.117 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.446 -3.905 1.776 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.070 -3.945 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.806 -4.623 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.559 -7.200 3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.408 -5.642 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.291 -7.164 3.473 1.00 0.00 H new ATOM 604 N PHE A 44 -5.553 -5.798 0.655 1.00 0.00 N ATOM 605 CA PHE A 44 -6.661 -5.181 -0.054 1.00 0.00 C ATOM 606 C PHE A 44 -7.147 -3.926 0.673 1.00 0.00 C ATOM 607 O PHE A 44 -7.040 -3.831 1.895 1.00 0.00 O ATOM 608 CB PHE A 44 -7.796 -6.207 -0.089 1.00 0.00 C ATOM 609 CG PHE A 44 -7.345 -7.622 -0.458 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.549 -8.325 0.390 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.740 -8.175 -1.636 1.00 0.00 C ATOM 612 CE1 PHE A 44 -6.130 -9.638 0.047 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.322 -9.488 -1.980 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.526 -10.192 -1.131 1.00 0.00 C ATOM 0 H PHE A 44 -5.744 -6.025 1.631 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.345 -4.889 -1.055 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.278 -6.234 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.548 -5.878 -0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.235 -7.885 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.372 -7.616 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.497 -10.196 0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.636 -9.927 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.208 -11.191 -1.392 1.00 0.00 H new ATOM 624 N ILE A 45 -7.670 -2.993 -0.109 1.00 0.00 N ATOM 625 CA ILE A 45 -8.173 -1.747 0.445 1.00 0.00 C ATOM 626 C ILE A 45 -9.521 -2.002 1.121 1.00 0.00 C ATOM 627 O ILE A 45 -10.369 -2.709 0.578 1.00 0.00 O ATOM 628 CB ILE A 45 -8.220 -0.662 -0.632 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.815 -0.154 -0.961 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.160 0.475 -0.225 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.873 1.047 -1.907 1.00 0.00 C ATOM 0 H ILE A 45 -7.756 -3.075 -1.122 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.497 -1.371 1.213 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.624 -1.103 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.302 0.127 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.233 -0.954 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.175 1.233 -1.008 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.166 0.081 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.809 0.922 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.861 1.388 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.365 0.756 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.435 1.854 -1.436 1.00 0.00 H new ATOM 643 N SER A 46 -9.679 -1.412 2.297 1.00 0.00 N ATOM 644 CA SER A 46 -10.910 -1.566 3.053 1.00 0.00 C ATOM 645 C SER A 46 -11.799 -0.335 2.862 1.00 0.00 C ATOM 646 O SER A 46 -13.015 -0.459 2.725 1.00 0.00 O ATOM 647 CB SER A 46 -10.620 -1.786 4.539 1.00 0.00 C ATOM 648 OG SER A 46 -10.573 -0.559 5.261 1.00 0.00 O ATOM 0 H SER A 46 -8.974 -0.826 2.745 1.00 0.00 H new ATOM 0 HA SER A 46 -11.433 -2.446 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.389 -2.429 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.670 -2.308 4.649 1.00 0.00 H new ATOM 0 HG SER A 46 -10.547 -0.746 6.223 1.00 0.00 H new ATOM 654 N HIS A 47 -11.157 0.824 2.860 1.00 0.00 N ATOM 655 CA HIS A 47 -11.874 2.076 2.688 1.00 0.00 C ATOM 656 C HIS A 47 -10.997 3.069 1.922 1.00 0.00 C ATOM 657 O HIS A 47 -9.782 2.894 1.840 1.00 0.00 O ATOM 658 CB HIS A 47 -12.347 2.621 4.037 1.00 0.00 C ATOM 659 CG HIS A 47 -13.300 3.787 3.929 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.871 5.101 3.859 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.662 3.823 3.878 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.936 5.884 3.771 1.00 0.00 C ATOM 663 NE2 HIS A 47 -15.045 5.091 3.784 1.00 0.00 N ATOM 0 H HIS A 47 -10.148 0.922 2.975 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.773 1.906 2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.833 1.818 4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.477 2.928 4.618 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.318 2.966 3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.927 6.962 3.701 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -16.010 5.418 3.730 1.00 0.00 H new ATOM 671 N VAL A 48 -11.648 4.088 1.381 1.00 0.00 N ATOM 672 CA VAL A 48 -10.943 5.109 0.624 1.00 0.00 C ATOM 673 C VAL A 48 -11.611 6.465 0.859 1.00 0.00 C ATOM 674 O VAL A 48 -12.773 6.657 0.505 1.00 0.00 O ATOM 675 CB VAL A 48 -10.885 4.719 -0.854 1.00 0.00 C ATOM 676 CG1 VAL A 48 -10.304 5.854 -1.698 1.00 0.00 C ATOM 677 CG2 VAL A 48 -10.089 3.427 -1.049 1.00 0.00 C ATOM 0 H VAL A 48 -12.656 4.229 1.452 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.911 5.192 0.965 1.00 0.00 H new ATOM 0 HB VAL A 48 -11.905 4.538 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.274 5.551 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.929 6.741 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.294 6.081 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.063 3.172 -2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.071 3.568 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.565 2.619 -0.493 1.00 0.00 H new ATOM 730 N SER A 52 -8.701 11.383 -1.506 1.00 0.00 N ATOM 731 CA SER A 52 -7.513 10.896 -0.825 1.00 0.00 C ATOM 732 C SER A 52 -6.368 10.729 -1.825 1.00 0.00 C ATOM 733 O SER A 52 -6.492 11.114 -2.987 1.00 0.00 O ATOM 734 CB SER A 52 -7.792 9.572 -0.111 1.00 0.00 C ATOM 735 OG SER A 52 -8.341 8.596 -0.992 1.00 0.00 O ATOM 0 HA SER A 52 -7.225 11.630 -0.072 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.867 9.191 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.482 9.744 0.715 1.00 0.00 H new ATOM 0 HG SER A 52 -9.042 8.094 -0.527 1.00 0.00 H new ATOM 741 N LEU A 53 -5.277 10.156 -1.337 1.00 0.00 N ATOM 742 CA LEU A 53 -4.111 9.934 -2.174 1.00 0.00 C ATOM 743 C LEU A 53 -4.342 8.699 -3.047 1.00 0.00 C ATOM 744 O LEU A 53 -3.633 8.487 -4.029 1.00 0.00 O ATOM 745 CB LEU A 53 -2.845 9.853 -1.318 1.00 0.00 C ATOM 746 CG LEU A 53 -1.535 10.212 -2.022 1.00 0.00 C ATOM 747 CD1 LEU A 53 -1.621 11.596 -2.669 1.00 0.00 C ATOM 748 CD2 LEU A 53 -0.348 10.101 -1.063 1.00 0.00 C ATOM 0 H LEU A 53 -5.177 9.839 -0.373 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.960 10.777 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.967 10.515 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.759 8.839 -0.928 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.370 9.492 -2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.677 11.826 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.426 11.605 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.822 12.344 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.570 10.362 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.492 10.783 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.275 9.079 -0.691 1.00 0.00 H new ATOM 760 N SER A 54 -5.337 7.916 -2.657 1.00 0.00 N ATOM 761 CA SER A 54 -5.671 6.708 -3.392 1.00 0.00 C ATOM 762 C SER A 54 -6.792 6.997 -4.392 1.00 0.00 C ATOM 763 O SER A 54 -6.773 6.493 -5.514 1.00 0.00 O ATOM 764 CB SER A 54 -6.084 5.582 -2.442 1.00 0.00 C ATOM 765 OG SER A 54 -6.083 6.004 -1.081 1.00 0.00 O ATOM 0 H SER A 54 -5.923 8.095 -1.841 1.00 0.00 H new ATOM 0 HA SER A 54 -4.784 6.382 -3.935 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.079 5.228 -2.711 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.403 4.739 -2.561 1.00 0.00 H new ATOM 0 HG SER A 54 -5.563 5.371 -0.543 1.00 0.00 H new ATOM 771 N ALA A 55 -7.743 7.807 -3.950 1.00 0.00 N ATOM 772 CA ALA A 55 -8.870 8.169 -4.792 1.00 0.00 C ATOM 773 C ALA A 55 -8.373 9.015 -5.966 1.00 0.00 C ATOM 774 O ALA A 55 -8.829 8.844 -7.095 1.00 0.00 O ATOM 775 CB ALA A 55 -9.922 8.897 -3.953 1.00 0.00 C ATOM 0 H ALA A 55 -7.756 8.223 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.342 7.277 -5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.767 9.168 -4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.264 8.243 -3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.485 9.799 -3.524 1.00 0.00 H new ATOM 781 N GLU A 56 -7.444 9.908 -5.659 1.00 0.00 N ATOM 782 CA GLU A 56 -6.880 10.781 -6.674 1.00 0.00 C ATOM 783 C GLU A 56 -6.332 9.955 -7.839 1.00 0.00 C ATOM 784 O GLU A 56 -6.443 10.357 -8.996 1.00 0.00 O ATOM 785 CB GLU A 56 -5.794 11.681 -6.082 1.00 0.00 C ATOM 786 CG GLU A 56 -4.687 10.850 -5.431 1.00 0.00 C ATOM 787 CD GLU A 56 -3.426 11.689 -5.216 1.00 0.00 C ATOM 788 OE1 GLU A 56 -3.534 12.699 -4.487 1.00 0.00 O ATOM 789 OE2 GLU A 56 -2.382 11.301 -5.784 1.00 0.00 O ATOM 0 H GLU A 56 -7.068 10.046 -4.721 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.673 11.426 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.369 12.308 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.234 12.350 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.035 10.459 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.454 9.991 -6.061 1.00 0.00 H new ATOM 796 N VAL A 57 -5.752 8.815 -7.493 1.00 0.00 N ATOM 797 CA VAL A 57 -5.186 7.928 -8.496 1.00 0.00 C ATOM 798 C VAL A 57 -6.299 7.065 -9.094 1.00 0.00 C ATOM 799 O VAL A 57 -6.198 6.617 -10.235 1.00 0.00 O ATOM 800 CB VAL A 57 -4.052 7.103 -7.885 1.00 0.00 C ATOM 801 CG1 VAL A 57 -3.018 8.007 -7.211 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.597 6.065 -6.902 1.00 0.00 C ATOM 0 H VAL A 57 -5.662 8.485 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.748 8.504 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.553 6.569 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.223 7.395 -6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.595 8.689 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.498 8.581 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.770 5.492 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.133 6.571 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.277 5.391 -7.424 1.00 0.00 H new ATOM 812 N GLY A 58 -7.336 6.857 -8.296 1.00 0.00 N ATOM 813 CA GLY A 58 -8.467 6.055 -8.731 1.00 0.00 C ATOM 814 C GLY A 58 -8.493 4.706 -8.010 1.00 0.00 C ATOM 815 O GLY A 58 -8.831 3.685 -8.606 1.00 0.00 O ATOM 0 H GLY A 58 -7.417 7.230 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.395 6.593 -8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.411 5.895 -9.808 1.00 0.00 H new ATOM 819 N LEU A 59 -8.131 4.746 -6.736 1.00 0.00 N ATOM 820 CA LEU A 59 -8.108 3.539 -5.926 1.00 0.00 C ATOM 821 C LEU A 59 -9.445 3.395 -5.196 1.00 0.00 C ATOM 822 O LEU A 59 -10.022 4.386 -4.749 1.00 0.00 O ATOM 823 CB LEU A 59 -6.895 3.542 -4.994 1.00 0.00 C ATOM 824 CG LEU A 59 -5.557 3.169 -5.635 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.407 3.332 -4.638 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.606 1.758 -6.226 1.00 0.00 C ATOM 0 H LEU A 59 -7.851 5.595 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.993 2.658 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.801 4.535 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.089 2.849 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.370 3.857 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.467 3.060 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.358 4.369 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.576 2.683 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.642 1.518 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.827 1.040 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.384 1.710 -6.988 1.00 0.00 H new ATOM 838 N GLU A 60 -9.898 2.154 -5.096 1.00 0.00 N ATOM 839 CA GLU A 60 -11.156 1.868 -4.427 1.00 0.00 C ATOM 840 C GLU A 60 -11.066 0.540 -3.672 1.00 0.00 C ATOM 841 O GLU A 60 -10.075 -0.179 -3.791 1.00 0.00 O ATOM 842 CB GLU A 60 -12.316 1.855 -5.424 1.00 0.00 C ATOM 843 CG GLU A 60 -12.486 3.224 -6.086 1.00 0.00 C ATOM 844 CD GLU A 60 -13.863 3.348 -6.742 1.00 0.00 C ATOM 845 OE1 GLU A 60 -14.849 3.436 -5.979 1.00 0.00 O ATOM 846 OE2 GLU A 60 -13.898 3.353 -7.991 1.00 0.00 O ATOM 0 H GLU A 60 -9.416 1.335 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.350 2.661 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.136 1.098 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.237 1.578 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.362 4.010 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.708 3.369 -6.835 1.00 0.00 H new ATOM 853 N ILE A 61 -12.114 0.255 -2.913 1.00 0.00 N ATOM 854 CA ILE A 61 -12.165 -0.974 -2.140 1.00 0.00 C ATOM 855 C ILE A 61 -12.064 -2.172 -3.086 1.00 0.00 C ATOM 856 O ILE A 61 -12.766 -2.232 -4.094 1.00 0.00 O ATOM 857 CB ILE A 61 -13.410 -0.995 -1.251 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.361 0.125 -0.211 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.599 -2.369 -0.605 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.751 0.399 0.367 1.00 0.00 C ATOM 0 H ILE A 61 -12.934 0.854 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.315 -1.033 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.281 -0.812 -1.880 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.677 -0.150 0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.968 1.033 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.491 -2.357 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.712 -3.124 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.729 -2.606 0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.687 1.200 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.426 0.697 -0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.131 -0.504 0.845 1.00 0.00 H new ATOM 872 N GLY A 62 -11.185 -3.096 -2.728 1.00 0.00 N ATOM 873 CA GLY A 62 -10.983 -4.289 -3.532 1.00 0.00 C ATOM 874 C GLY A 62 -9.571 -4.320 -4.121 1.00 0.00 C ATOM 875 O GLY A 62 -8.927 -5.368 -4.144 1.00 0.00 O ATOM 0 H GLY A 62 -10.604 -3.042 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.145 -5.176 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.717 -4.318 -4.337 1.00 0.00 H new ATOM 879 N ASP A 63 -9.131 -3.159 -4.584 1.00 0.00 N ATOM 880 CA ASP A 63 -7.808 -3.041 -5.171 1.00 0.00 C ATOM 881 C ASP A 63 -6.796 -3.779 -4.292 1.00 0.00 C ATOM 882 O ASP A 63 -6.304 -3.227 -3.309 1.00 0.00 O ATOM 883 CB ASP A 63 -7.375 -1.576 -5.263 1.00 0.00 C ATOM 884 CG ASP A 63 -8.231 -0.705 -6.183 1.00 0.00 C ATOM 885 OD1 ASP A 63 -8.935 -1.296 -7.031 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.163 0.532 -6.019 1.00 0.00 O ATOM 0 H ASP A 63 -9.668 -2.292 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.844 -3.470 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.390 -1.145 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.342 -1.539 -5.610 1.00 0.00 H new ATOM 891 N GLN A 64 -6.516 -5.015 -4.678 1.00 0.00 N ATOM 892 CA GLN A 64 -5.572 -5.834 -3.937 1.00 0.00 C ATOM 893 C GLN A 64 -4.139 -5.507 -4.360 1.00 0.00 C ATOM 894 O GLN A 64 -3.796 -5.611 -5.537 1.00 0.00 O ATOM 895 CB GLN A 64 -5.873 -7.323 -4.124 1.00 0.00 C ATOM 896 CG GLN A 64 -4.799 -8.187 -3.460 1.00 0.00 C ATOM 897 CD GLN A 64 -4.970 -9.660 -3.837 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.771 -10.022 -4.683 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.173 -10.486 -3.166 1.00 0.00 N ATOM 0 H GLN A 64 -6.926 -5.469 -5.494 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.678 -5.606 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.848 -7.557 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.926 -7.556 -5.187 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.811 -7.842 -3.764 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.856 -8.076 -2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.525 -10.116 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.210 -11.489 -3.347 1.00 0.00 H new ATOM 908 N ILE A 65 -3.339 -5.118 -3.377 1.00 0.00 N ATOM 909 CA ILE A 65 -1.951 -4.774 -3.633 1.00 0.00 C ATOM 910 C ILE A 65 -1.155 -6.053 -3.900 1.00 0.00 C ATOM 911 O ILE A 65 -0.940 -6.856 -2.992 1.00 0.00 O ATOM 912 CB ILE A 65 -1.389 -3.927 -2.490 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.253 -2.687 -2.250 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.076 -3.565 -2.744 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.861 -2.705 -0.847 1.00 0.00 C ATOM 0 H ILE A 65 -3.626 -5.034 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.870 -4.155 -4.526 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.420 -4.522 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.649 -1.789 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.048 -2.644 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.451 -2.963 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.667 -4.477 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.155 -2.997 -3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.470 -1.813 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.484 -3.592 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.063 -2.723 -0.105 1.00 0.00 H new ATOM 927 N VAL A 66 -0.739 -6.204 -5.149 1.00 0.00 N ATOM 928 CA VAL A 66 0.029 -7.372 -5.546 1.00 0.00 C ATOM 929 C VAL A 66 1.514 -7.007 -5.599 1.00 0.00 C ATOM 930 O VAL A 66 2.375 -7.880 -5.505 1.00 0.00 O ATOM 931 CB VAL A 66 -0.500 -7.919 -6.874 1.00 0.00 C ATOM 932 CG1 VAL A 66 -1.991 -8.248 -6.776 1.00 0.00 C ATOM 933 CG2 VAL A 66 -0.228 -6.939 -8.017 1.00 0.00 C ATOM 0 H VAL A 66 -0.919 -5.537 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.083 -8.170 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 66 0.033 -8.844 -7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.342 -8.635 -7.733 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.148 -8.999 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.547 -7.345 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.614 -7.351 -8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.722 -5.990 -7.808 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.846 -6.776 -8.109 1.00 0.00 H new ATOM 943 N GLU A 67 1.768 -5.715 -5.749 1.00 0.00 N ATOM 944 CA GLU A 67 3.134 -5.224 -5.815 1.00 0.00 C ATOM 945 C GLU A 67 3.202 -3.777 -5.323 1.00 0.00 C ATOM 946 O GLU A 67 2.216 -3.045 -5.399 1.00 0.00 O ATOM 947 CB GLU A 67 3.693 -5.348 -7.234 1.00 0.00 C ATOM 948 CG GLU A 67 5.055 -4.660 -7.349 1.00 0.00 C ATOM 949 CD GLU A 67 5.581 -4.722 -8.784 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.641 -5.850 -9.319 1.00 0.00 O ATOM 951 OE2 GLU A 67 5.911 -3.639 -9.315 1.00 0.00 O ATOM 0 H GLU A 67 1.051 -4.994 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 67 3.753 -5.839 -5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.790 -6.401 -7.500 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.996 -4.903 -7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.969 -3.620 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.766 -5.139 -6.676 1.00 0.00 H new ATOM 958 N VAL A 68 4.375 -3.407 -4.831 1.00 0.00 N ATOM 959 CA VAL A 68 4.585 -2.061 -4.327 1.00 0.00 C ATOM 960 C VAL A 68 6.064 -1.694 -4.464 1.00 0.00 C ATOM 961 O VAL A 68 6.919 -2.297 -3.818 1.00 0.00 O ATOM 962 CB VAL A 68 4.074 -1.955 -2.888 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.338 -0.561 -2.314 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.588 -2.309 -2.807 1.00 0.00 C ATOM 0 H VAL A 68 5.190 -4.017 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 68 4.016 -1.341 -4.914 1.00 0.00 H new ATOM 0 HB VAL A 68 4.624 -2.676 -2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.965 -0.512 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.410 -0.362 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.827 0.186 -2.922 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.250 -2.226 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.016 -1.623 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.438 -3.330 -3.157 1.00 0.00 H new ATOM 974 N ASN A 69 6.319 -0.706 -5.310 1.00 0.00 N ATOM 975 CA ASN A 69 7.680 -0.252 -5.541 1.00 0.00 C ATOM 976 C ASN A 69 8.538 -1.434 -5.993 1.00 0.00 C ATOM 977 O ASN A 69 9.764 -1.387 -5.902 1.00 0.00 O ATOM 978 CB ASN A 69 8.295 0.317 -4.260 1.00 0.00 C ATOM 979 CG ASN A 69 8.825 1.734 -4.488 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.801 2.264 -5.587 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.303 2.315 -3.392 1.00 0.00 N ATOM 0 H ASN A 69 5.607 -0.208 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 69 7.651 0.526 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.547 0.328 -3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.106 -0.329 -3.924 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.680 3.262 -3.440 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.293 1.814 -2.503 1.00 0.00 H new ATOM 988 N GLY A 70 7.861 -2.468 -6.471 1.00 0.00 N ATOM 989 CA GLY A 70 8.546 -3.661 -6.938 1.00 0.00 C ATOM 990 C GLY A 70 8.629 -4.714 -5.831 1.00 0.00 C ATOM 991 O GLY A 70 9.343 -5.707 -5.966 1.00 0.00 O ATOM 0 H GLY A 70 6.844 -2.504 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.020 -4.074 -7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.550 -3.401 -7.273 1.00 0.00 H new ATOM 995 N VAL A 71 7.889 -4.462 -4.761 1.00 0.00 N ATOM 996 CA VAL A 71 7.870 -5.376 -3.632 1.00 0.00 C ATOM 997 C VAL A 71 6.750 -6.399 -3.829 1.00 0.00 C ATOM 998 O VAL A 71 5.655 -6.050 -4.269 1.00 0.00 O ATOM 999 CB VAL A 71 7.740 -4.590 -2.325 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.715 -5.532 -1.120 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.861 -3.558 -2.192 1.00 0.00 C ATOM 0 H VAL A 71 7.298 -3.638 -4.652 1.00 0.00 H new ATOM 0 HA VAL A 71 8.808 -5.929 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 71 6.792 -4.052 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.622 -4.949 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.866 -6.210 -1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.639 -6.109 -1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.745 -3.014 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.826 -4.066 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.812 -2.858 -3.026 1.00 0.00 H new ATOM 1011 N ASP A 72 7.061 -7.642 -3.492 1.00 0.00 N ATOM 1012 CA ASP A 72 6.095 -8.719 -3.626 1.00 0.00 C ATOM 1013 C ASP A 72 5.063 -8.614 -2.502 1.00 0.00 C ATOM 1014 O ASP A 72 5.256 -9.174 -1.423 1.00 0.00 O ATOM 1015 CB ASP A 72 6.774 -10.085 -3.520 1.00 0.00 C ATOM 1016 CG ASP A 72 6.241 -11.149 -4.482 1.00 0.00 C ATOM 1017 OD1 ASP A 72 5.035 -11.457 -4.376 1.00 0.00 O ATOM 1018 OD2 ASP A 72 7.053 -11.630 -5.301 1.00 0.00 O ATOM 0 H ASP A 72 7.969 -7.927 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 72 5.622 -8.628 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.842 -9.958 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.663 -10.451 -2.499 1.00 0.00 H new ATOM 1023 N PHE A 73 3.989 -7.895 -2.792 1.00 0.00 N ATOM 1024 CA PHE A 73 2.926 -7.710 -1.819 1.00 0.00 C ATOM 1025 C PHE A 73 1.845 -8.782 -1.977 1.00 0.00 C ATOM 1026 O PHE A 73 0.759 -8.661 -1.412 1.00 0.00 O ATOM 1027 CB PHE A 73 2.308 -6.336 -2.086 1.00 0.00 C ATOM 1028 CG PHE A 73 2.871 -5.219 -1.206 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.210 -4.987 -1.175 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.031 -4.457 -0.454 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.733 -3.949 -0.357 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.553 -3.420 0.363 1.00 0.00 C ATOM 1033 CZ PHE A 73 3.893 -3.188 0.394 1.00 0.00 C ATOM 0 H PHE A 73 3.832 -7.433 -3.688 1.00 0.00 H new ATOM 0 HA PHE A 73 3.329 -7.785 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.466 -6.075 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.231 -6.398 -1.932 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.877 -5.592 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.967 -4.641 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.797 -3.765 -0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.886 -2.815 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.290 -2.399 1.015 1.00 0.00 H new ATOM 1043 N SER A 74 2.181 -9.806 -2.747 1.00 0.00 N ATOM 1044 CA SER A 74 1.253 -10.898 -2.986 1.00 0.00 C ATOM 1045 C SER A 74 0.894 -11.579 -1.664 1.00 0.00 C ATOM 1046 O SER A 74 -0.277 -11.648 -1.295 1.00 0.00 O ATOM 1047 CB SER A 74 1.842 -11.917 -3.965 1.00 0.00 C ATOM 1048 OG SER A 74 0.891 -12.327 -4.944 1.00 0.00 O ATOM 0 H SER A 74 3.083 -9.903 -3.213 1.00 0.00 H new ATOM 0 HA SER A 74 0.348 -10.486 -3.432 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.710 -11.483 -4.462 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.193 -12.789 -3.413 1.00 0.00 H new ATOM 0 HG SER A 74 1.305 -12.976 -5.551 1.00 0.00 H new ATOM 1054 N ASN A 75 1.924 -12.065 -0.986 1.00 0.00 N ATOM 1055 CA ASN A 75 1.731 -12.738 0.287 1.00 0.00 C ATOM 1056 C ASN A 75 2.478 -11.973 1.381 1.00 0.00 C ATOM 1057 O ASN A 75 3.360 -12.525 2.038 1.00 0.00 O ATOM 1058 CB ASN A 75 2.284 -14.164 0.245 1.00 0.00 C ATOM 1059 CG ASN A 75 3.408 -14.286 -0.785 1.00 0.00 C ATOM 1060 OD1 ASN A 75 3.266 -14.904 -1.827 1.00 0.00 O ATOM 1061 ND2 ASN A 75 4.532 -13.665 -0.437 1.00 0.00 N ATOM 0 H ASN A 75 2.894 -12.006 -1.295 1.00 0.00 H new ATOM 0 HA ASN A 75 0.661 -12.772 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.657 -14.442 1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.483 -14.861 -0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.341 -13.689 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.585 -13.165 0.450 1.00 0.00 H new ATOM 1068 N LEU A 76 2.098 -10.714 1.543 1.00 0.00 N ATOM 1069 CA LEU A 76 2.721 -9.868 2.547 1.00 0.00 C ATOM 1070 C LEU A 76 1.883 -9.900 3.826 1.00 0.00 C ATOM 1071 O LEU A 76 0.996 -10.740 3.971 1.00 0.00 O ATOM 1072 CB LEU A 76 2.947 -8.459 1.994 1.00 0.00 C ATOM 1073 CG LEU A 76 4.361 -8.151 1.498 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.490 -6.684 1.085 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.406 -8.546 2.543 1.00 0.00 C ATOM 0 H LEU A 76 1.367 -10.259 0.996 1.00 0.00 H new ATOM 0 HA LEU A 76 3.710 -10.247 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.251 -8.298 1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.692 -7.740 2.772 1.00 0.00 H new ATOM 0 HG LEU A 76 4.550 -8.753 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.505 -6.492 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.784 -6.468 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.273 -6.045 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.403 -8.317 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.229 -7.989 3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.332 -9.614 2.746 1.00 0.00 H new ATOM 1087 N ASP A 77 2.194 -8.975 4.723 1.00 0.00 N ATOM 1088 CA ASP A 77 1.480 -8.886 5.985 1.00 0.00 C ATOM 1089 C ASP A 77 1.074 -7.433 6.236 1.00 0.00 C ATOM 1090 O ASP A 77 1.501 -6.532 5.515 1.00 0.00 O ATOM 1091 CB ASP A 77 2.364 -9.338 7.150 1.00 0.00 C ATOM 1092 CG ASP A 77 1.664 -9.392 8.509 1.00 0.00 C ATOM 1093 OD1 ASP A 77 0.417 -9.476 8.503 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.392 -9.349 9.524 1.00 0.00 O ATOM 0 H ASP A 77 2.931 -8.281 4.600 1.00 0.00 H new ATOM 0 HA ASP A 77 0.605 -9.533 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.761 -10.328 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.216 -8.662 7.224 1.00 0.00 H new ATOM 1099 N HIS A 78 0.253 -7.250 7.260 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.215 -5.921 7.615 1.00 0.00 C ATOM 1101 C HIS A 78 0.932 -5.119 8.231 1.00 0.00 C ATOM 1102 O HIS A 78 0.794 -3.923 8.483 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.440 -6.003 8.529 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.142 -4.682 8.735 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.716 -3.742 9.658 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.243 -4.153 8.128 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.532 -2.700 9.601 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.478 -2.957 8.652 1.00 0.00 N ATOM 0 H HIS A 78 -0.100 -8.000 7.855 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.538 -5.394 6.717 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.148 -6.717 8.108 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.132 -6.394 9.499 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.825 -4.628 7.352 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.461 -1.804 10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -4.240 -2.333 8.389 1.00 0.00 H new ATOM 1116 N LYS A 79 2.040 -5.810 8.456 1.00 0.00 N ATOM 1117 CA LYS A 79 3.212 -5.178 9.038 1.00 0.00 C ATOM 1118 C LYS A 79 4.287 -5.017 7.962 1.00 0.00 C ATOM 1119 O LYS A 79 4.993 -4.010 7.930 1.00 0.00 O ATOM 1120 CB LYS A 79 3.684 -5.954 10.269 1.00 0.00 C ATOM 1121 CG LYS A 79 5.210 -5.923 10.384 1.00 0.00 C ATOM 1122 CD LYS A 79 5.657 -6.215 11.818 1.00 0.00 C ATOM 1123 CE LYS A 79 6.620 -5.138 12.322 1.00 0.00 C ATOM 1124 NZ LYS A 79 7.802 -5.758 12.961 1.00 0.00 N ATOM 0 H LYS A 79 2.151 -6.802 8.246 1.00 0.00 H new ATOM 0 HA LYS A 79 2.967 -4.178 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.239 -5.525 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.341 -6.987 10.206 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.644 -6.658 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.582 -4.946 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.786 -6.264 12.471 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.142 -7.190 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.937 -4.508 11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.110 -4.491 13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.445 -5.013 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.496 -6.341 13.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.297 -6.356 12.269 1.00 0.00 H new ATOM 1138 N GLU A 80 4.378 -6.025 7.107 1.00 0.00 N ATOM 1139 CA GLU A 80 5.356 -6.008 6.032 1.00 0.00 C ATOM 1140 C GLU A 80 4.887 -5.088 4.902 1.00 0.00 C ATOM 1141 O GLU A 80 5.695 -4.394 4.287 1.00 0.00 O ATOM 1142 CB GLU A 80 5.624 -7.422 5.512 1.00 0.00 C ATOM 1143 CG GLU A 80 6.201 -8.311 6.615 1.00 0.00 C ATOM 1144 CD GLU A 80 7.677 -8.618 6.356 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.479 -7.663 6.440 1.00 0.00 O ATOM 1146 OE2 GLU A 80 7.971 -9.801 6.080 1.00 0.00 O ATOM 0 H GLU A 80 3.791 -6.859 7.137 1.00 0.00 H new ATOM 0 HA GLU A 80 6.294 -5.618 6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.698 -7.857 5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.319 -7.379 4.673 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.093 -7.816 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.636 -9.242 6.669 1.00 0.00 H new ATOM 1153 N ALA A 81 3.584 -5.114 4.664 1.00 0.00 N ATOM 1154 CA ALA A 81 2.998 -4.291 3.620 1.00 0.00 C ATOM 1155 C ALA A 81 3.001 -2.828 4.067 1.00 0.00 C ATOM 1156 O ALA A 81 3.173 -1.925 3.249 1.00 0.00 O ATOM 1157 CB ALA A 81 1.592 -4.799 3.297 1.00 0.00 C ATOM 0 H ALA A 81 2.918 -5.692 5.176 1.00 0.00 H new ATOM 0 HA ALA A 81 3.586 -4.357 2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.153 -4.181 2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.648 -5.833 2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.972 -4.746 4.192 1.00 0.00 H new ATOM 1163 N VAL A 82 2.809 -2.638 5.364 1.00 0.00 N ATOM 1164 CA VAL A 82 2.787 -1.300 5.930 1.00 0.00 C ATOM 1165 C VAL A 82 4.221 -0.782 6.057 1.00 0.00 C ATOM 1166 O VAL A 82 4.495 0.377 5.749 1.00 0.00 O ATOM 1167 CB VAL A 82 2.034 -1.308 7.262 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.281 -0.012 8.038 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.538 -1.540 7.044 1.00 0.00 C ATOM 0 H VAL A 82 2.667 -3.389 6.040 1.00 0.00 H new ATOM 0 HA VAL A 82 2.251 -0.615 5.273 1.00 0.00 H new ATOM 0 HB VAL A 82 2.417 -2.135 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.735 -0.043 8.981 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.347 0.094 8.239 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.937 0.837 7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.026 -1.541 8.006 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.134 -0.744 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.387 -2.500 6.551 1.00 0.00 H new ATOM 1179 N ASN A 83 5.098 -1.665 6.511 1.00 0.00 N ATOM 1180 CA ASN A 83 6.497 -1.311 6.682 1.00 0.00 C ATOM 1181 C ASN A 83 7.082 -0.895 5.331 1.00 0.00 C ATOM 1182 O ASN A 83 7.777 0.116 5.237 1.00 0.00 O ATOM 1183 CB ASN A 83 7.306 -2.500 7.203 1.00 0.00 C ATOM 1184 CG ASN A 83 8.777 -2.122 7.389 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.141 -0.961 7.476 1.00 0.00 O ATOM 1186 ND2 ASN A 83 9.600 -3.165 7.445 1.00 0.00 N ATOM 0 H ASN A 83 4.867 -2.625 6.766 1.00 0.00 H new ATOM 0 HA ASN A 83 6.553 -0.494 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.891 -2.839 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.226 -3.333 6.505 1.00 0.00 H new ATOM 0 HD21 ASN A 83 10.602 -3.018 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.229 -4.112 7.365 1.00 0.00 H new ATOM 1193 N VAL A 84 6.780 -1.695 4.320 1.00 0.00 N ATOM 1194 CA VAL A 84 7.267 -1.423 2.978 1.00 0.00 C ATOM 1195 C VAL A 84 6.548 -0.194 2.419 1.00 0.00 C ATOM 1196 O VAL A 84 7.116 0.553 1.623 1.00 0.00 O ATOM 1197 CB VAL A 84 7.102 -2.664 2.099 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.474 -2.361 0.647 1.00 0.00 C ATOM 1199 CG2 VAL A 84 7.924 -3.834 2.643 1.00 0.00 C ATOM 0 H VAL A 84 6.204 -2.533 4.403 1.00 0.00 H new ATOM 0 HA VAL A 84 8.333 -1.195 2.997 1.00 0.00 H new ATOM 0 HB VAL A 84 6.051 -2.953 2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.348 -3.260 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.827 -1.572 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.513 -2.034 0.598 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.789 -4.704 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.978 -3.559 2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.591 -4.074 3.653 1.00 0.00 H new ATOM 1209 N LEU A 85 5.310 -0.022 2.856 1.00 0.00 N ATOM 1210 CA LEU A 85 4.507 1.103 2.409 1.00 0.00 C ATOM 1211 C LEU A 85 4.985 2.376 3.111 1.00 0.00 C ATOM 1212 O LEU A 85 4.937 3.462 2.535 1.00 0.00 O ATOM 1213 CB LEU A 85 3.018 0.813 2.609 1.00 0.00 C ATOM 1214 CG LEU A 85 2.335 0.013 1.498 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.942 -0.447 1.931 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.295 0.812 0.193 1.00 0.00 C ATOM 0 H LEU A 85 4.843 -0.644 3.516 1.00 0.00 H new ATOM 0 HA LEU A 85 4.636 1.261 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.897 0.271 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.495 1.763 2.720 1.00 0.00 H new ATOM 0 HG LEU A 85 2.926 -0.883 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.478 -1.013 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.026 -1.079 2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.328 0.423 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.805 0.221 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.740 1.737 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.312 1.048 -0.121 1.00 0.00 H new ATOM 1228 N LYS A 86 5.435 2.200 4.344 1.00 0.00 N ATOM 1229 CA LYS A 86 5.922 3.321 5.131 1.00 0.00 C ATOM 1230 C LYS A 86 7.429 3.472 4.918 1.00 0.00 C ATOM 1231 O LYS A 86 8.049 4.382 5.465 1.00 0.00 O ATOM 1232 CB LYS A 86 5.521 3.160 6.598 1.00 0.00 C ATOM 1233 CG LYS A 86 6.578 2.369 7.372 1.00 0.00 C ATOM 1234 CD LYS A 86 6.138 2.134 8.818 1.00 0.00 C ATOM 1235 CE LYS A 86 5.062 1.049 8.894 1.00 0.00 C ATOM 1236 NZ LYS A 86 5.452 -0.002 9.860 1.00 0.00 N ATOM 0 H LYS A 86 5.473 1.298 4.818 1.00 0.00 H new ATOM 0 HA LYS A 86 5.459 4.250 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.391 4.142 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.560 2.649 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.752 1.412 6.881 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.524 2.911 7.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.998 1.841 9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.754 3.062 9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.112 1.491 9.193 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.912 0.608 7.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.710 -0.730 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.348 -0.436 9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.572 0.420 10.803 1.00 0.00 H new ATOM 1250 N SER A 87 7.975 2.565 4.120 1.00 0.00 N ATOM 1251 CA SER A 87 9.399 2.586 3.828 1.00 0.00 C ATOM 1252 C SER A 87 9.801 3.957 3.282 1.00 0.00 C ATOM 1253 O SER A 87 10.520 4.706 3.941 1.00 0.00 O ATOM 1254 CB SER A 87 9.773 1.487 2.832 1.00 0.00 C ATOM 1255 OG SER A 87 11.130 1.079 2.972 1.00 0.00 O ATOM 0 H SER A 87 7.457 1.812 3.667 1.00 0.00 H new ATOM 0 HA SER A 87 9.941 2.398 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.119 0.627 2.978 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.605 1.846 1.816 1.00 0.00 H new ATOM 0 HG SER A 87 11.329 0.375 2.320 1.00 0.00 H new ATOM 1261 N SER A 88 9.319 4.245 2.081 1.00 0.00 N ATOM 1262 CA SER A 88 9.619 5.513 1.439 1.00 0.00 C ATOM 1263 C SER A 88 8.321 6.253 1.109 1.00 0.00 C ATOM 1264 O SER A 88 7.231 5.753 1.382 1.00 0.00 O ATOM 1265 CB SER A 88 10.448 5.305 0.170 1.00 0.00 C ATOM 1266 OG SER A 88 11.410 6.340 -0.015 1.00 0.00 O ATOM 0 H SER A 88 8.723 3.622 1.536 1.00 0.00 H new ATOM 0 HA SER A 88 10.207 6.116 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.957 4.342 0.223 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.785 5.268 -0.694 1.00 0.00 H new ATOM 0 HG SER A 88 11.920 6.170 -0.834 1.00 0.00 H new ATOM 1272 N ARG A 89 8.481 7.432 0.527 1.00 0.00 N ATOM 1273 CA ARG A 89 7.335 8.246 0.157 1.00 0.00 C ATOM 1274 C ARG A 89 6.818 7.838 -1.224 1.00 0.00 C ATOM 1275 O ARG A 89 5.652 7.475 -1.372 1.00 0.00 O ATOM 1276 CB ARG A 89 7.698 9.732 0.139 1.00 0.00 C ATOM 1277 CG ARG A 89 8.563 10.100 1.346 1.00 0.00 C ATOM 1278 CD ARG A 89 7.771 9.971 2.649 1.00 0.00 C ATOM 1279 NE ARG A 89 8.618 9.361 3.698 1.00 0.00 N ATOM 1280 CZ ARG A 89 8.141 8.820 4.827 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.821 8.808 5.060 1.00 0.00 N ATOM 1282 NH2 ARG A 89 8.984 8.289 5.724 1.00 0.00 N ATOM 0 H ARG A 89 9.387 7.844 0.302 1.00 0.00 H new ATOM 0 HA ARG A 89 6.557 8.082 0.903 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.232 9.968 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.788 10.332 0.143 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.438 9.451 1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.928 11.121 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.427 10.953 2.974 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.883 9.360 2.486 1.00 0.00 H new ATOM 0 HE ARG A 89 9.628 9.352 3.552 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.179 9.211 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.459 8.396 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.988 8.297 5.547 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.621 7.877 6.584 1.00 0.00 H new ATOM 1296 N SER A 90 7.710 7.910 -2.200 1.00 0.00 N ATOM 1297 CA SER A 90 7.359 7.553 -3.564 1.00 0.00 C ATOM 1298 C SER A 90 7.405 6.033 -3.735 1.00 0.00 C ATOM 1299 O SER A 90 8.483 5.441 -3.765 1.00 0.00 O ATOM 1300 CB SER A 90 8.293 8.229 -4.569 1.00 0.00 C ATOM 1301 OG SER A 90 9.422 8.822 -3.933 1.00 0.00 O ATOM 0 H SER A 90 8.676 8.211 -2.073 1.00 0.00 H new ATOM 0 HA SER A 90 6.346 7.904 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.633 7.494 -5.299 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.743 8.993 -5.118 1.00 0.00 H new ATOM 0 HG SER A 90 9.995 9.242 -4.608 1.00 0.00 H new ATOM 1307 N LEU A 91 6.222 5.446 -3.844 1.00 0.00 N ATOM 1308 CA LEU A 91 6.114 4.007 -4.011 1.00 0.00 C ATOM 1309 C LEU A 91 5.153 3.702 -5.161 1.00 0.00 C ATOM 1310 O LEU A 91 4.149 4.391 -5.335 1.00 0.00 O ATOM 1311 CB LEU A 91 5.723 3.341 -2.690 1.00 0.00 C ATOM 1312 CG LEU A 91 6.652 3.608 -1.504 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.870 4.148 -0.305 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.458 2.358 -1.146 1.00 0.00 C ATOM 0 H LEU A 91 5.330 5.941 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 91 7.081 3.582 -4.281 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.720 3.672 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.671 2.264 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 91 7.365 4.378 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.554 4.329 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.379 5.081 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.119 3.419 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.110 2.575 -0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.777 1.549 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.062 2.057 -2.002 1.00 0.00 H new ATOM 1326 N THR A 92 5.493 2.669 -5.918 1.00 0.00 N ATOM 1327 CA THR A 92 4.672 2.265 -7.046 1.00 0.00 C ATOM 1328 C THR A 92 3.837 1.035 -6.685 1.00 0.00 C ATOM 1329 O THR A 92 4.347 -0.085 -6.675 1.00 0.00 O ATOM 1330 CB THR A 92 5.595 2.041 -8.246 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.664 3.319 -8.873 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.966 1.138 -9.309 1.00 0.00 C ATOM 0 H THR A 92 6.327 2.100 -5.772 1.00 0.00 H new ATOM 0 HA THR A 92 3.953 3.041 -7.310 1.00 0.00 H new ATOM 0 HB THR A 92 6.533 1.601 -7.906 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.335 3.870 -8.419 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.663 1.012 -10.138 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.741 0.165 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.046 1.593 -9.675 1.00 0.00 H new ATOM 1340 N ILE A 93 2.568 1.284 -6.397 1.00 0.00 N ATOM 1341 CA ILE A 93 1.658 0.211 -6.036 1.00 0.00 C ATOM 1342 C ILE A 93 1.006 -0.347 -7.303 1.00 0.00 C ATOM 1343 O ILE A 93 0.627 0.411 -8.196 1.00 0.00 O ATOM 1344 CB ILE A 93 0.652 0.692 -4.988 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.368 1.225 -3.745 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.350 -0.412 -4.643 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.526 2.292 -3.043 1.00 0.00 C ATOM 0 H ILE A 93 2.149 2.214 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 93 2.203 -0.610 -5.569 1.00 0.00 H new ATOM 0 HB ILE A 93 0.085 1.520 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.569 0.404 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.332 1.646 -4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.054 -0.044 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.894 -0.703 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.183 -1.276 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.058 2.654 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.347 3.122 -3.726 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.428 1.861 -2.739 1.00 0.00 H new ATOM 1359 N SER A 94 0.896 -1.666 -7.341 1.00 0.00 N ATOM 1360 CA SER A 94 0.296 -2.334 -8.484 1.00 0.00 C ATOM 1361 C SER A 94 -0.910 -3.161 -8.034 1.00 0.00 C ATOM 1362 O SER A 94 -0.750 -4.231 -7.449 1.00 0.00 O ATOM 1363 CB SER A 94 1.315 -3.226 -9.197 1.00 0.00 C ATOM 1364 OG SER A 94 1.530 -2.818 -10.545 1.00 0.00 O ATOM 0 H SER A 94 1.212 -2.291 -6.599 1.00 0.00 H new ATOM 0 HA SER A 94 -0.037 -1.572 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.261 -3.201 -8.655 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.966 -4.259 -9.182 1.00 0.00 H new ATOM 0 HG SER A 94 2.188 -3.411 -10.965 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.090 -2.633 -8.324 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.323 -3.309 -7.956 1.00 0.00 C ATOM 1372 C ILE A 95 -3.893 -4.024 -9.182 1.00 0.00 C ATOM 1373 O ILE A 95 -3.394 -3.852 -10.294 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.300 -2.327 -7.307 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.545 -1.119 -8.214 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.817 -1.910 -5.917 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -6.042 -0.905 -8.449 1.00 0.00 C ATOM 0 H ILE A 95 -2.219 -1.745 -8.809 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.128 -4.073 -7.203 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.257 -2.833 -7.177 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.113 -0.226 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.041 -1.268 -9.169 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.530 -1.212 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.734 -2.791 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.842 -1.429 -6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.189 -0.041 -9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.466 -1.790 -8.923 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.539 -0.732 -7.495 1.00 0.00 H new ATOM 1389 N VAL A 96 -4.930 -4.812 -8.940 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.573 -5.553 -10.011 1.00 0.00 C ATOM 1391 C VAL A 96 -6.981 -4.998 -10.235 1.00 0.00 C ATOM 1392 O VAL A 96 -7.895 -5.740 -10.592 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.565 -7.049 -9.690 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.363 -7.838 -10.730 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.133 -7.578 -9.581 1.00 0.00 C ATOM 0 H VAL A 96 -5.341 -4.953 -8.017 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.023 -5.431 -10.944 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.048 -7.187 -8.723 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.341 -8.898 -10.478 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.395 -7.488 -10.738 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.922 -7.690 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.155 -8.643 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.614 -7.421 -10.526 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.609 -7.047 -8.786 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.112 -3.698 -10.017 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.393 -3.035 -10.192 1.00 0.00 C ATOM 1407 C ALA A 97 -9.490 -3.872 -9.530 1.00 0.00 C ATOM 1408 O ALA A 97 -10.016 -4.804 -10.137 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.652 -2.808 -11.682 1.00 0.00 C ATOM 0 H ALA A 97 -6.352 -3.086 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.388 -2.057 -9.710 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.613 -2.311 -11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.861 -2.184 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.667 -3.767 -12.199 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.802 -3.510 -8.295 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.827 -4.216 -7.544 1.00 0.00 C ATOM 1417 C ALA A 98 -10.627 -5.724 -7.712 1.00 0.00 C ATOM 1418 O ALA A 98 -11.513 -6.420 -8.205 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.210 -3.756 -8.010 1.00 0.00 C ATOM 0 H ALA A 98 -9.363 -2.737 -7.795 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.749 -3.989 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.978 -4.286 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.312 -2.684 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.326 -3.971 -9.072 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.458 -6.184 -7.291 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.131 -7.597 -7.388 1.00 0.00 C ATOM 1427 C ALA A 99 -10.063 -8.395 -6.475 1.00 0.00 C ATOM 1428 O ALA A 99 -10.909 -9.150 -6.953 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.656 -7.804 -7.040 1.00 0.00 C ATOM 0 H ALA A 99 -8.726 -5.604 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.279 -7.957 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.410 -8.863 -7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.035 -7.239 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.470 -7.457 -6.024 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.877 -8.202 -5.177 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.691 -8.895 -4.193 1.00 0.00 C ATOM 1437 C GLY A 100 -11.778 -7.975 -3.635 1.00 0.00 C ATOM 1438 O GLY A 100 -11.857 -7.764 -2.425 1.00 0.00 O ATOM 0 H GLY A 100 -9.174 -7.576 -4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.151 -9.772 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.059 -9.252 -3.380 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.589 -7.452 -4.542 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.669 -6.560 -4.155 1.00 0.00 C ATOM 1444 C ARG A 101 -14.776 -7.342 -3.447 1.00 0.00 C ATOM 1445 O ARG A 101 -15.586 -6.762 -2.725 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.257 -5.846 -5.374 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.063 -4.332 -5.270 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.213 -3.584 -5.949 1.00 0.00 C ATOM 1449 NE ARG A 101 -14.783 -2.215 -6.309 1.00 0.00 N ATOM 1450 CZ ARG A 101 -15.624 -1.228 -6.646 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -16.945 -1.452 -6.672 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -15.145 -0.016 -6.958 1.00 0.00 N ATOM 0 H ARG A 101 -12.520 -7.629 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.256 -5.814 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.780 -6.216 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.319 -6.075 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.004 -4.041 -4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.117 -4.050 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.530 -4.121 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.074 -3.540 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.784 -2.010 -6.300 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -17.311 -2.374 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.585 -0.700 -6.929 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.140 0.155 -6.939 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.786 0.735 -7.215 1.00 0.00 H new ATOM 1466 N GLU A 102 -14.776 -8.646 -3.678 1.00 0.00 N ATOM 1467 CA GLU A 102 -15.771 -9.514 -3.070 1.00 0.00 C ATOM 1468 C GLU A 102 -15.439 -9.751 -1.596 1.00 0.00 C ATOM 1469 O GLU A 102 -16.280 -10.229 -0.836 1.00 0.00 O ATOM 1470 CB GLU A 102 -15.879 -10.839 -3.828 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.575 -11.634 -3.730 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.136 -12.139 -5.106 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -13.550 -11.322 -5.849 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -14.396 -13.329 -5.383 1.00 0.00 O ATOM 0 H GLU A 102 -14.103 -9.123 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.741 -9.020 -3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.700 -11.429 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.113 -10.645 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -13.793 -11.006 -3.303 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.710 -12.479 -3.055 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.212 -9.406 -1.235 1.00 0.00 N ATOM 1482 CA LEU A 103 -13.759 -9.575 0.135 1.00 0.00 C ATOM 1483 C LEU A 103 -14.511 -8.598 1.040 1.00 0.00 C ATOM 1484 O LEU A 103 -14.522 -8.759 2.260 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.237 -9.442 0.216 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.432 -10.673 -0.206 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -9.929 -10.407 -0.105 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.852 -11.905 0.599 1.00 0.00 C ATOM 0 H LEU A 103 -13.517 -9.010 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 103 -13.987 -10.580 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -11.932 -8.602 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.968 -9.191 1.242 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.652 -10.882 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.380 -11.298 -0.411 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.662 -9.575 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.672 -10.158 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.265 -12.766 0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.681 -11.722 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.910 -12.105 0.432 1.00 0.00 H new ATOM 1500 N PHE A 104 -15.120 -7.605 0.409 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.872 -6.601 1.143 1.00 0.00 C ATOM 1502 C PHE A 104 -17.312 -6.514 0.632 1.00 0.00 C ATOM 1503 O PHE A 104 -18.256 -6.537 1.421 1.00 0.00 O ATOM 1504 CB PHE A 104 -15.178 -5.259 0.905 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.682 -5.267 1.229 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -13.259 -4.999 2.494 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.776 -5.541 0.253 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.872 -5.006 2.795 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.388 -5.548 0.554 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.965 -5.280 1.819 1.00 0.00 C ATOM 0 H PHE A 104 -15.108 -7.474 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.904 -6.860 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -15.312 -4.972 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.667 -4.496 1.511 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.979 -4.781 3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.112 -5.753 -0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.537 -4.794 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.668 -5.766 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.910 -5.285 2.048 1.00 0.00 H new