USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.67) USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 0.0518 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0115) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0725 USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 1.14 (180deg=1.12) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 99 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.18) USER MOD Single : A 102 SER OG : rot -36:sc= 0.0281 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.516 -16.883 9.415 1.00 73.25 N ATOM 190 CA LYS A 14 1.174 -16.565 8.912 1.00 61.44 C ATOM 191 C LYS A 14 1.281 -15.697 7.657 1.00 65.20 C ATOM 192 O LYS A 14 0.718 -16.017 6.611 1.00 52.14 O ATOM 193 CB LYS A 14 0.369 -15.853 10.016 1.00 4.54 C ATOM 194 CG LYS A 14 -1.144 -15.836 9.734 1.00 14.33 C ATOM 195 CD LYS A 14 -1.944 -15.123 10.839 1.00 3.44 C ATOM 196 CE LYS A 14 -2.010 -15.957 12.125 1.00 33.23 C ATOM 197 NZ LYS A 14 -3.124 -16.927 12.134 1.00 43.31 N ATOM 0 HA LYS A 14 0.653 -17.483 8.642 1.00 61.44 H new ATOM 0 HB2 LYS A 14 0.551 -16.349 10.969 1.00 4.54 H new ATOM 0 HB3 LYS A 14 0.727 -14.828 10.117 1.00 4.54 H new ATOM 0 HG2 LYS A 14 -1.327 -15.340 8.781 1.00 14.33 H new ATOM 0 HG3 LYS A 14 -1.503 -16.860 9.634 1.00 14.33 H new ATOM 0 HD2 LYS A 14 -1.485 -14.158 11.055 1.00 3.44 H new ATOM 0 HD3 LYS A 14 -2.955 -14.923 10.484 1.00 3.44 H new ATOM 0 HE2 LYS A 14 -1.069 -16.493 12.251 1.00 33.23 H new ATOM 0 HE3 LYS A 14 -2.113 -15.288 12.979 1.00 33.23 H new ATOM 0 HZ1 LYS A 14 -3.114 -17.459 13.028 1.00 43.31 H new ATOM 0 HZ2 LYS A 14 -4.027 -16.419 12.043 1.00 43.31 H new ATOM 0 HZ3 LYS A 14 -3.016 -17.587 11.338 1.00 43.31 H new ATOM 207 N PHE A 15 2.043 -14.610 7.782 1.00 51.31 N ATOM 208 CA PHE A 15 2.256 -13.621 6.742 1.00 62.22 C ATOM 209 C PHE A 15 3.304 -14.087 5.729 1.00 12.54 C ATOM 210 O PHE A 15 3.152 -13.819 4.538 1.00 30.32 O ATOM 211 CB PHE A 15 2.628 -12.289 7.411 1.00 72.14 C ATOM 212 CG PHE A 15 1.578 -11.862 8.421 1.00 50.15 C ATOM 213 CD1 PHE A 15 0.356 -11.325 7.974 1.00 10.24 C ATOM 214 CD2 PHE A 15 1.756 -12.138 9.793 1.00 62.11 C ATOM 215 CE1 PHE A 15 -0.677 -11.076 8.889 1.00 42.14 C ATOM 216 CE2 PHE A 15 0.715 -11.895 10.706 1.00 73.33 C ATOM 217 CZ PHE A 15 -0.507 -11.369 10.253 1.00 32.04 C ATOM 0 H PHE A 15 2.544 -14.393 8.644 1.00 51.31 H new ATOM 0 HA PHE A 15 1.341 -13.481 6.167 1.00 62.22 H new ATOM 0 HB2 PHE A 15 3.593 -12.387 7.907 1.00 72.14 H new ATOM 0 HB3 PHE A 15 2.738 -11.516 6.650 1.00 72.14 H new ATOM 0 HD1 PHE A 15 0.214 -11.105 6.926 1.00 10.24 H new ATOM 0 HD2 PHE A 15 2.696 -12.538 10.143 1.00 62.11 H new ATOM 0 HE1 PHE A 15 -1.610 -10.656 8.543 1.00 42.14 H new ATOM 0 HE2 PHE A 15 0.854 -12.112 11.755 1.00 73.33 H new ATOM 0 HZ PHE A 15 -1.312 -11.191 10.950 1.00 32.04 H new ATOM 226 N ALA A 16 4.315 -14.849 6.164 1.00 3.51 N ATOM 227 CA ALA A 16 5.296 -15.421 5.251 1.00 70.10 C ATOM 228 C ALA A 16 4.631 -16.255 4.170 1.00 13.53 C ATOM 229 O ALA A 16 5.081 -16.239 3.025 1.00 30.23 O ATOM 230 CB ALA A 16 6.300 -16.291 6.006 1.00 41.52 C ATOM 0 H ALA A 16 4.470 -15.080 7.145 1.00 3.51 H new ATOM 0 HA ALA A 16 5.818 -14.587 4.781 1.00 70.10 H new ATOM 0 HB1 ALA A 16 7.022 -16.707 5.303 1.00 41.52 H new ATOM 0 HB2 ALA A 16 6.822 -15.685 6.747 1.00 41.52 H new ATOM 0 HB3 ALA A 16 5.773 -17.103 6.508 1.00 41.52 H new ATOM 236 N HIS A 17 3.561 -16.951 4.535 1.00 14.23 N ATOM 237 CA HIS A 17 2.752 -17.690 3.603 1.00 51.50 C ATOM 238 C HIS A 17 1.905 -16.731 2.761 1.00 72.24 C ATOM 239 O HIS A 17 2.317 -16.403 1.651 1.00 5.53 O ATOM 240 CB HIS A 17 1.965 -18.763 4.356 1.00 33.31 C ATOM 241 CG HIS A 17 2.826 -19.957 4.680 1.00 31.31 C ATOM 242 ND1 HIS A 17 2.758 -21.179 4.044 1.00 63.23 N ATOM 243 CD2 HIS A 17 3.887 -19.994 5.547 1.00 43.10 C ATOM 244 CE1 HIS A 17 3.756 -21.940 4.519 1.00 34.41 C ATOM 245 NE2 HIS A 17 4.455 -21.265 5.448 1.00 14.45 N ATOM 0 H HIS A 17 3.236 -17.012 5.500 1.00 14.23 H new ATOM 0 HA HIS A 17 3.369 -18.225 2.881 1.00 51.50 H new ATOM 0 HB2 HIS A 17 1.564 -18.342 5.278 1.00 33.31 H new ATOM 0 HB3 HIS A 17 1.113 -19.080 3.754 1.00 33.31 H new ATOM 0 HD2 HIS A 17 4.221 -19.190 6.187 1.00 43.10 H new ATOM 0 HE1 HIS A 17 3.967 -22.950 4.201 1.00 34.41 H new ATOM 0 HE2 HIS A 17 5.251 -21.616 5.981 1.00 14.45 H new ATOM 252 N ASP A 18 0.724 -16.296 3.226 1.00 4.45 N ATOM 253 CA ASP A 18 -0.309 -15.739 2.330 1.00 42.54 C ATOM 254 C ASP A 18 -1.515 -15.214 3.102 1.00 21.44 C ATOM 255 O ASP A 18 -1.415 -15.025 4.311 1.00 13.11 O ATOM 256 CB ASP A 18 -0.775 -16.819 1.327 1.00 50.14 C ATOM 257 CG ASP A 18 -1.104 -16.308 -0.063 1.00 51.33 C ATOM 258 OD1 ASP A 18 -0.216 -16.073 -0.904 1.00 50.50 O ATOM 259 OD2 ASP A 18 -2.317 -16.225 -0.339 1.00 61.31 O ATOM 0 H ASP A 18 0.459 -16.317 4.211 1.00 4.45 H new ATOM 0 HA ASP A 18 0.141 -14.901 1.798 1.00 42.54 H new ATOM 0 HB2 ASP A 18 0.005 -17.576 1.244 1.00 50.14 H new ATOM 0 HB3 ASP A 18 -1.657 -17.314 1.734 1.00 50.14 H new ATOM 263 N ALA A 19 -2.635 -15.002 2.393 1.00 11.33 N ATOM 264 CA ALA A 19 -4.002 -14.731 2.821 1.00 22.04 C ATOM 265 C ALA A 19 -4.108 -13.525 3.741 1.00 31.03 C ATOM 266 O ALA A 19 -4.570 -12.466 3.320 1.00 10.10 O ATOM 267 CB ALA A 19 -4.639 -15.999 3.406 1.00 73.33 C ATOM 0 H ALA A 19 -2.587 -15.021 1.374 1.00 11.33 H new ATOM 0 HA ALA A 19 -4.579 -14.452 1.939 1.00 22.04 H new ATOM 0 HB1 ALA A 19 -5.659 -15.781 3.721 1.00 73.33 H new ATOM 0 HB2 ALA A 19 -4.653 -16.782 2.648 1.00 73.33 H new ATOM 0 HB3 ALA A 19 -4.058 -16.335 4.265 1.00 73.33 H new ATOM 273 N GLU A 20 -3.632 -13.678 4.966 1.00 45.32 N ATOM 274 CA GLU A 20 -3.622 -12.614 5.957 1.00 10.53 C ATOM 275 C GLU A 20 -2.590 -11.568 5.498 1.00 62.34 C ATOM 276 O GLU A 20 -2.808 -10.366 5.651 1.00 62.34 O ATOM 277 CB GLU A 20 -3.305 -13.208 7.346 1.00 74.34 C ATOM 278 CG GLU A 20 -3.860 -12.377 8.520 1.00 12.50 C ATOM 279 CD GLU A 20 -5.325 -12.666 8.900 1.00 31.13 C ATOM 280 OE1 GLU A 20 -6.178 -12.707 7.988 1.00 63.12 O ATOM 281 OE2 GLU A 20 -5.614 -12.796 10.117 1.00 70.12 O ATOM 0 H GLU A 20 -3.237 -14.555 5.304 1.00 45.32 H new ATOM 0 HA GLU A 20 -4.592 -12.126 6.046 1.00 10.53 H new ATOM 0 HB2 GLU A 20 -3.715 -14.217 7.401 1.00 74.34 H new ATOM 0 HB3 GLU A 20 -2.224 -13.296 7.455 1.00 74.34 H new ATOM 0 HG2 GLU A 20 -3.234 -12.552 9.395 1.00 12.50 H new ATOM 0 HG3 GLU A 20 -3.769 -11.320 8.270 1.00 12.50 H new ATOM 286 N LEU A 21 -1.502 -12.007 4.841 1.00 61.31 N ATOM 287 CA LEU A 21 -0.530 -11.113 4.207 1.00 74.34 C ATOM 288 C LEU A 21 -1.193 -10.292 3.120 1.00 5.22 C ATOM 289 O LEU A 21 -0.972 -9.090 3.031 1.00 51.42 O ATOM 290 CB LEU A 21 0.634 -11.939 3.634 1.00 54.54 C ATOM 291 CG LEU A 21 1.812 -11.185 2.976 1.00 71.23 C ATOM 292 CD1 LEU A 21 1.543 -10.836 1.512 1.00 33.32 C ATOM 293 CD2 LEU A 21 2.283 -9.962 3.769 1.00 1.32 C ATOM 0 H LEU A 21 -1.276 -12.996 4.737 1.00 61.31 H new ATOM 0 HA LEU A 21 -0.138 -10.424 4.955 1.00 74.34 H new ATOM 0 HB2 LEU A 21 1.039 -12.548 4.442 1.00 54.54 H new ATOM 0 HB3 LEU A 21 0.222 -12.625 2.893 1.00 54.54 H new ATOM 0 HG LEU A 21 2.641 -11.893 2.995 1.00 71.23 H new ATOM 0 HD11 LEU A 21 2.403 -10.308 1.100 1.00 33.32 H new ATOM 0 HD12 LEU A 21 1.374 -11.751 0.945 1.00 33.32 H new ATOM 0 HD13 LEU A 21 0.660 -10.200 1.446 1.00 33.32 H new ATOM 0 HD21 LEU A 21 3.111 -9.485 3.245 1.00 1.32 H new ATOM 0 HD22 LEU A 21 1.461 -9.254 3.868 1.00 1.32 H new ATOM 0 HD23 LEU A 21 2.613 -10.276 4.759 1.00 1.32 H new ATOM 304 N ASN A 22 -2.021 -10.938 2.306 1.00 32.31 N ATOM 305 CA ASN A 22 -2.594 -10.322 1.111 1.00 2.54 C ATOM 306 C ASN A 22 -3.537 -9.179 1.463 1.00 11.40 C ATOM 307 O ASN A 22 -3.755 -8.307 0.627 1.00 4.23 O ATOM 308 CB ASN A 22 -3.334 -11.350 0.255 1.00 34.23 C ATOM 309 CG ASN A 22 -2.436 -12.474 -0.235 1.00 31.05 C ATOM 310 OD1 ASN A 22 -1.253 -12.278 -0.477 1.00 32.23 O ATOM 311 ND2 ASN A 22 -2.968 -13.674 -0.371 1.00 23.05 N ATOM 0 H ASN A 22 -2.315 -11.903 2.455 1.00 32.31 H new ATOM 0 HA ASN A 22 -1.759 -9.919 0.537 1.00 2.54 H new ATOM 0 HB2 ASN A 22 -4.154 -11.774 0.835 1.00 34.23 H new ATOM 0 HB3 ASN A 22 -3.778 -10.847 -0.604 1.00 34.23 H new ATOM 0 HD21 ASN A 22 -2.391 -14.455 -0.682 1.00 23.05 H new ATOM 0 HD22 ASN A 22 -3.956 -13.820 -0.165 1.00 23.05 H new ATOM 317 N PHE A 23 -4.078 -9.161 2.686 1.00 65.24 N ATOM 318 CA PHE A 23 -4.731 -7.989 3.244 1.00 65.03 C ATOM 319 C PHE A 23 -3.662 -6.976 3.654 1.00 51.52 C ATOM 320 O PHE A 23 -3.602 -5.879 3.091 1.00 13.41 O ATOM 321 CB PHE A 23 -5.626 -8.374 4.433 1.00 73.14 C ATOM 322 CG PHE A 23 -7.076 -8.674 4.083 1.00 10.33 C ATOM 323 CD1 PHE A 23 -7.401 -9.599 3.076 1.00 34.33 C ATOM 324 CD2 PHE A 23 -8.116 -8.022 4.774 1.00 65.44 C ATOM 325 CE1 PHE A 23 -8.746 -9.864 2.757 1.00 11.42 C ATOM 326 CE2 PHE A 23 -9.458 -8.294 4.466 1.00 52.03 C ATOM 327 CZ PHE A 23 -9.777 -9.212 3.455 1.00 12.03 C ATOM 0 H PHE A 23 -4.071 -9.966 3.313 1.00 65.24 H new ATOM 0 HA PHE A 23 -5.379 -7.538 2.492 1.00 65.03 H new ATOM 0 HB2 PHE A 23 -5.198 -9.250 4.920 1.00 73.14 H new ATOM 0 HB3 PHE A 23 -5.605 -7.562 5.160 1.00 73.14 H new ATOM 0 HD1 PHE A 23 -6.613 -10.110 2.543 1.00 34.33 H new ATOM 0 HD2 PHE A 23 -7.879 -7.307 5.547 1.00 65.44 H new ATOM 0 HE1 PHE A 23 -8.986 -10.569 1.975 1.00 11.42 H new ATOM 0 HE2 PHE A 23 -10.247 -7.795 5.009 1.00 52.03 H new ATOM 0 HZ PHE A 23 -10.810 -9.417 3.214 1.00 12.03 H new ATOM 336 N LYS A 24 -2.826 -7.332 4.643 1.00 33.03 N ATOM 337 CA LYS A 24 -1.882 -6.422 5.281 1.00 24.24 C ATOM 338 C LYS A 24 -1.009 -5.679 4.278 1.00 73.23 C ATOM 339 O LYS A 24 -0.946 -4.449 4.322 1.00 65.15 O ATOM 340 CB LYS A 24 -1.004 -7.192 6.279 1.00 2.31 C ATOM 341 CG LYS A 24 -1.803 -7.657 7.503 1.00 42.25 C ATOM 342 CD LYS A 24 -0.953 -7.581 8.766 1.00 64.21 C ATOM 343 CE LYS A 24 -1.729 -8.062 9.999 1.00 52.25 C ATOM 344 NZ LYS A 24 -0.884 -8.042 11.211 1.00 33.23 N ATOM 0 H LYS A 24 -2.793 -8.278 5.023 1.00 33.03 H new ATOM 0 HA LYS A 24 -2.469 -5.670 5.808 1.00 24.24 H new ATOM 0 HB2 LYS A 24 -0.563 -8.057 5.783 1.00 2.31 H new ATOM 0 HB3 LYS A 24 -0.180 -6.556 6.603 1.00 2.31 H new ATOM 0 HG2 LYS A 24 -2.692 -7.037 7.620 1.00 42.25 H new ATOM 0 HG3 LYS A 24 -2.146 -8.680 7.351 1.00 42.25 H new ATOM 0 HD2 LYS A 24 -0.057 -8.189 8.639 1.00 64.21 H new ATOM 0 HD3 LYS A 24 -0.622 -6.554 8.921 1.00 64.21 H new ATOM 0 HE2 LYS A 24 -2.602 -7.427 10.152 1.00 52.25 H new ATOM 0 HE3 LYS A 24 -2.097 -9.073 9.827 1.00 52.25 H new ATOM 0 HZ1 LYS A 24 -1.457 -7.751 12.029 1.00 33.23 H new ATOM 0 HZ2 LYS A 24 -0.497 -8.992 11.380 1.00 33.23 H new ATOM 0 HZ3 LYS A 24 -0.103 -7.369 11.078 1.00 33.23 H new ATOM 354 N ALA A 25 -0.304 -6.411 3.416 1.00 2.50 N ATOM 355 CA ALA A 25 0.621 -5.853 2.447 1.00 34.23 C ATOM 356 C ALA A 25 -0.102 -4.863 1.556 1.00 42.54 C ATOM 357 O ALA A 25 0.353 -3.731 1.443 1.00 51.52 O ATOM 358 CB ALA A 25 1.272 -6.963 1.631 1.00 61.21 C ATOM 0 H ALA A 25 -0.366 -7.428 3.376 1.00 2.50 H new ATOM 0 HA ALA A 25 1.414 -5.322 2.973 1.00 34.23 H new ATOM 0 HB1 ALA A 25 1.963 -6.527 0.909 1.00 61.21 H new ATOM 0 HB2 ALA A 25 1.817 -7.632 2.297 1.00 61.21 H new ATOM 0 HB3 ALA A 25 0.502 -7.525 1.103 1.00 61.21 H new ATOM 364 N GLU A 26 -1.237 -5.247 0.971 1.00 21.21 N ATOM 365 CA GLU A 26 -1.986 -4.418 0.032 1.00 63.45 C ATOM 366 C GLU A 26 -2.386 -3.101 0.688 1.00 3.34 C ATOM 367 O GLU A 26 -2.220 -2.029 0.093 1.00 50.14 O ATOM 368 CB GLU A 26 -3.212 -5.176 -0.490 1.00 42.51 C ATOM 369 CG GLU A 26 -2.973 -5.857 -1.849 1.00 54.24 C ATOM 370 CD GLU A 26 -1.915 -6.971 -1.901 1.00 25.33 C ATOM 371 OE1 GLU A 26 -0.775 -6.775 -1.417 1.00 64.12 O ATOM 372 OE2 GLU A 26 -2.133 -7.986 -2.599 1.00 63.02 O ATOM 0 H GLU A 26 -1.666 -6.157 1.140 1.00 21.21 H new ATOM 0 HA GLU A 26 -1.348 -4.187 -0.821 1.00 63.45 H new ATOM 0 HB2 GLU A 26 -3.502 -5.931 0.241 1.00 42.51 H new ATOM 0 HB3 GLU A 26 -4.048 -4.482 -0.581 1.00 42.51 H new ATOM 0 HG2 GLU A 26 -3.921 -6.275 -2.188 1.00 54.24 H new ATOM 0 HG3 GLU A 26 -2.689 -5.088 -2.567 1.00 54.24 H new ATOM 377 N ALA A 27 -2.837 -3.174 1.942 1.00 43.42 N ATOM 378 CA ALA A 27 -3.190 -2.002 2.724 1.00 5.44 C ATOM 379 C ALA A 27 -1.968 -1.107 2.981 1.00 72.04 C ATOM 380 O ALA A 27 -2.087 0.120 3.037 1.00 70.15 O ATOM 381 CB ALA A 27 -3.847 -2.431 4.039 1.00 74.12 C ATOM 0 H ALA A 27 -2.966 -4.055 2.440 1.00 43.42 H new ATOM 0 HA ALA A 27 -3.905 -1.410 2.152 1.00 5.44 H new ATOM 0 HB1 ALA A 27 -4.109 -1.547 4.620 1.00 74.12 H new ATOM 0 HB2 ALA A 27 -4.749 -3.005 3.825 1.00 74.12 H new ATOM 0 HB3 ALA A 27 -3.152 -3.047 4.609 1.00 74.12 H new ATOM 387 N ARG A 28 -0.788 -1.707 3.143 1.00 33.24 N ATOM 388 CA ARG A 28 0.460 -1.005 3.417 1.00 62.41 C ATOM 389 C ARG A 28 1.046 -0.379 2.148 1.00 31.24 C ATOM 390 O ARG A 28 1.469 0.771 2.212 1.00 12.22 O ATOM 391 CB ARG A 28 1.441 -1.968 4.114 1.00 73.33 C ATOM 392 CG ARG A 28 2.520 -1.258 4.954 1.00 50.13 C ATOM 393 CD ARG A 28 2.002 -0.646 6.266 1.00 41.33 C ATOM 394 NE ARG A 28 1.423 -1.661 7.167 1.00 14.10 N ATOM 395 CZ ARG A 28 1.128 -1.503 8.464 1.00 34.33 C ATOM 396 NH1 ARG A 28 1.212 -0.315 9.039 1.00 22.33 N ATOM 397 NH2 ARG A 28 0.748 -2.554 9.181 1.00 5.42 N ATOM 0 H ARG A 28 -0.674 -2.719 3.085 1.00 33.24 H new ATOM 0 HA ARG A 28 0.265 -0.171 4.091 1.00 62.41 H new ATOM 0 HB2 ARG A 28 0.877 -2.642 4.759 1.00 73.33 H new ATOM 0 HB3 ARG A 28 1.929 -2.584 3.359 1.00 73.33 H new ATOM 0 HG2 ARG A 28 3.310 -1.972 5.187 1.00 50.13 H new ATOM 0 HG3 ARG A 28 2.971 -0.469 4.352 1.00 50.13 H new ATOM 0 HD2 ARG A 28 2.820 -0.136 6.775 1.00 41.33 H new ATOM 0 HD3 ARG A 28 1.248 0.108 6.040 1.00 41.33 H new ATOM 0 HE ARG A 28 1.228 -2.576 6.761 1.00 14.10 H new ATOM 0 HH11 ARG A 28 1.505 0.496 8.494 1.00 22.33 H new ATOM 0 HH12 ARG A 28 0.984 -0.210 10.028 1.00 22.33 H new ATOM 0 HH21 ARG A 28 0.683 -3.473 8.744 1.00 5.42 H new ATOM 0 HH22 ARG A 28 0.522 -2.442 10.169 1.00 5.42 H new ATOM 408 N ARG A 29 1.064 -1.060 0.988 1.00 24.34 N ATOM 409 CA ARG A 29 1.727 -0.530 -0.222 1.00 51.35 C ATOM 410 C ARG A 29 1.071 0.799 -0.601 1.00 74.31 C ATOM 411 O ARG A 29 1.770 1.791 -0.813 1.00 65.42 O ATOM 412 CB ARG A 29 1.679 -1.482 -1.457 1.00 14.40 C ATOM 413 CG ARG A 29 1.505 -3.006 -1.269 1.00 53.54 C ATOM 414 CD ARG A 29 1.726 -3.765 -2.595 1.00 41.32 C ATOM 415 NE ARG A 29 1.273 -5.172 -2.600 1.00 74.32 N ATOM 416 CZ ARG A 29 1.529 -6.065 -3.575 1.00 65.01 C ATOM 417 NH1 ARG A 29 2.557 -5.914 -4.406 1.00 45.40 N ATOM 418 NH2 ARG A 29 0.737 -7.116 -3.704 1.00 3.14 N ATOM 0 H ARG A 29 0.630 -1.974 0.861 1.00 24.34 H new ATOM 0 HA ARG A 29 2.780 -0.414 0.034 1.00 51.35 H new ATOM 0 HB2 ARG A 29 0.862 -1.142 -2.094 1.00 14.40 H new ATOM 0 HB3 ARG A 29 2.603 -1.331 -2.015 1.00 14.40 H new ATOM 0 HG2 ARG A 29 2.211 -3.365 -0.520 1.00 53.54 H new ATOM 0 HG3 ARG A 29 0.505 -3.216 -0.890 1.00 53.54 H new ATOM 0 HD2 ARG A 29 1.208 -3.231 -3.391 1.00 41.32 H new ATOM 0 HD3 ARG A 29 2.789 -3.742 -2.835 1.00 41.32 H new ATOM 0 HE ARG A 29 0.723 -5.492 -1.802 1.00 74.32 H new ATOM 0 HH11 ARG A 29 3.174 -5.107 -4.313 1.00 45.40 H new ATOM 0 HH12 ARG A 29 2.728 -6.605 -5.136 1.00 45.40 H new ATOM 0 HH21 ARG A 29 -0.053 -7.240 -3.071 1.00 3.14 H new ATOM 0 HH22 ARG A 29 0.916 -7.802 -4.437 1.00 3.14 H new ATOM 429 N ASN A 30 -0.267 0.832 -0.626 1.00 43.34 N ATOM 430 CA ASN A 30 -1.028 2.033 -0.973 1.00 62.33 C ATOM 431 C ASN A 30 -0.719 3.188 -0.025 1.00 10.50 C ATOM 432 O ASN A 30 -0.666 4.330 -0.471 1.00 33.22 O ATOM 433 CB ASN A 30 -2.545 1.762 -0.975 1.00 65.15 C ATOM 434 CG ASN A 30 -3.051 1.230 -2.311 1.00 51.41 C ATOM 435 OD1 ASN A 30 -2.546 1.604 -3.368 1.00 1.00 O ATOM 436 ND2 ASN A 30 -4.046 0.362 -2.283 1.00 50.03 N ATOM 0 H ASN A 30 -0.851 0.025 -0.406 1.00 43.34 H new ATOM 0 HA ASN A 30 -0.720 2.314 -1.980 1.00 62.33 H new ATOM 0 HB2 ASN A 30 -2.782 1.043 -0.190 1.00 65.15 H new ATOM 0 HB3 ASN A 30 -3.074 2.684 -0.733 1.00 65.15 H new ATOM 0 HD21 ASN A 30 -4.416 -0.017 -3.154 1.00 50.03 H new ATOM 0 HD22 ASN A 30 -4.444 0.071 -1.390 1.00 50.03 H new ATOM 442 N ARG A 31 -0.476 2.926 1.268 1.00 64.21 N ATOM 443 CA ARG A 31 -0.080 3.979 2.206 1.00 30.23 C ATOM 444 C ARG A 31 1.188 4.656 1.716 1.00 34.14 C ATOM 445 O ARG A 31 1.229 5.880 1.685 1.00 14.42 O ATOM 446 CB ARG A 31 0.066 3.427 3.637 1.00 4.11 C ATOM 447 CG ARG A 31 0.439 4.462 4.720 1.00 53.11 C ATOM 448 CD ARG A 31 1.952 4.515 4.974 1.00 33.00 C ATOM 449 NE ARG A 31 2.302 5.284 6.178 1.00 54.22 N ATOM 450 CZ ARG A 31 3.523 5.359 6.727 1.00 74.45 C ATOM 451 NH1 ARG A 31 4.591 4.871 6.102 1.00 52.12 N ATOM 452 NH2 ARG A 31 3.669 5.887 7.929 1.00 25.24 N ATOM 0 H ARG A 31 -0.547 1.997 1.683 1.00 64.21 H new ATOM 0 HA ARG A 31 -0.867 4.732 2.247 1.00 30.23 H new ATOM 0 HB2 ARG A 31 -0.874 2.954 3.922 1.00 4.11 H new ATOM 0 HB3 ARG A 31 0.827 2.646 3.630 1.00 4.11 H new ATOM 0 HG2 ARG A 31 0.089 5.448 4.414 1.00 53.11 H new ATOM 0 HG3 ARG A 31 -0.075 4.215 5.649 1.00 53.11 H new ATOM 0 HD2 ARG A 31 2.335 3.499 5.073 1.00 33.00 H new ATOM 0 HD3 ARG A 31 2.446 4.958 4.109 1.00 33.00 H new ATOM 0 HE ARG A 31 1.552 5.804 6.634 1.00 54.22 H new ATOM 0 HH11 ARG A 31 4.490 4.430 5.188 1.00 52.12 H new ATOM 0 HH12 ARG A 31 5.511 4.938 6.537 1.00 52.12 H new ATOM 0 HH21 ARG A 31 2.855 6.235 8.435 1.00 25.24 H new ATOM 0 HH22 ARG A 31 4.596 5.946 8.351 1.00 25.24 H new ATOM 463 N LEU A 32 2.209 3.883 1.330 1.00 2.40 N ATOM 464 CA LEU A 32 3.504 4.431 0.948 1.00 54.43 C ATOM 465 C LEU A 32 3.323 5.302 -0.302 1.00 1.30 C ATOM 466 O LEU A 32 3.832 6.418 -0.361 1.00 74.32 O ATOM 467 CB LEU A 32 4.525 3.296 0.706 1.00 71.02 C ATOM 468 CG LEU A 32 4.675 2.196 1.786 1.00 65.35 C ATOM 469 CD1 LEU A 32 5.955 1.371 1.608 1.00 41.11 C ATOM 470 CD2 LEU A 32 4.690 2.741 3.214 1.00 73.44 C ATOM 0 H LEU A 32 2.156 2.866 1.276 1.00 2.40 H new ATOM 0 HA LEU A 32 3.898 5.049 1.755 1.00 54.43 H new ATOM 0 HB2 LEU A 32 4.261 2.807 -0.232 1.00 71.02 H new ATOM 0 HB3 LEU A 32 5.503 3.755 0.562 1.00 71.02 H new ATOM 0 HG LEU A 32 3.793 1.572 1.643 1.00 65.35 H new ATOM 0 HD11 LEU A 32 6.012 0.614 2.390 1.00 41.11 H new ATOM 0 HD12 LEU A 32 5.942 0.884 0.633 1.00 41.11 H new ATOM 0 HD13 LEU A 32 6.823 2.027 1.674 1.00 41.11 H new ATOM 0 HD21 LEU A 32 4.798 1.915 3.917 1.00 73.44 H new ATOM 0 HD22 LEU A 32 5.527 3.430 3.332 1.00 73.44 H new ATOM 0 HD23 LEU A 32 3.756 3.267 3.412 1.00 73.44 H new ATOM 481 N LEU A 33 2.561 4.817 -1.292 1.00 10.53 N ATOM 482 CA LEU A 33 2.273 5.556 -2.515 1.00 4.22 C ATOM 483 C LEU A 33 1.486 6.845 -2.236 1.00 13.32 C ATOM 484 O LEU A 33 1.756 7.883 -2.839 1.00 41.41 O ATOM 485 CB LEU A 33 1.479 4.636 -3.465 1.00 1.41 C ATOM 486 CG LEU A 33 1.794 4.954 -4.935 1.00 33.22 C ATOM 487 CD1 LEU A 33 3.117 4.307 -5.348 1.00 64.55 C ATOM 488 CD2 LEU A 33 0.749 4.350 -5.850 1.00 3.03 C ATOM 0 H LEU A 33 2.127 3.894 -1.260 1.00 10.53 H new ATOM 0 HA LEU A 33 3.215 5.856 -2.975 1.00 4.22 H new ATOM 0 HB2 LEU A 33 1.722 3.594 -3.255 1.00 1.41 H new ATOM 0 HB3 LEU A 33 0.411 4.757 -3.284 1.00 1.41 H new ATOM 0 HG LEU A 33 1.826 6.040 -5.022 1.00 33.22 H new ATOM 0 HD11 LEU A 33 3.326 4.541 -6.392 1.00 64.55 H new ATOM 0 HD12 LEU A 33 3.921 4.692 -4.721 1.00 64.55 H new ATOM 0 HD13 LEU A 33 3.047 3.226 -5.226 1.00 64.55 H new ATOM 0 HD21 LEU A 33 0.991 4.587 -6.886 1.00 3.03 H new ATOM 0 HD22 LEU A 33 0.733 3.268 -5.720 1.00 3.03 H new ATOM 0 HD23 LEU A 33 -0.231 4.759 -5.604 1.00 3.03 H new ATOM 499 N GLY A 34 0.510 6.784 -1.324 1.00 22.54 N ATOM 500 CA GLY A 34 -0.324 7.913 -0.943 1.00 25.54 C ATOM 501 C GLY A 34 0.495 9.002 -0.260 1.00 62.33 C ATOM 502 O GLY A 34 0.350 10.169 -0.609 1.00 23.13 O ATOM 0 H GLY A 34 0.278 5.926 -0.823 1.00 22.54 H new ATOM 0 HA2 GLY A 34 -0.811 8.323 -1.828 1.00 25.54 H new ATOM 0 HA3 GLY A 34 -1.114 7.574 -0.272 1.00 25.54 H new ATOM 506 N GLU A 35 1.360 8.626 0.687 1.00 72.01 N ATOM 507 CA GLU A 35 2.192 9.560 1.445 1.00 74.12 C ATOM 508 C GLU A 35 3.074 10.379 0.494 1.00 13.40 C ATOM 509 O GLU A 35 3.219 11.590 0.675 1.00 33.44 O ATOM 510 CB GLU A 35 3.057 8.795 2.466 1.00 2.50 C ATOM 511 CG GLU A 35 2.260 8.107 3.590 1.00 70.35 C ATOM 512 CD GLU A 35 2.299 8.860 4.920 1.00 43.32 C ATOM 513 OE1 GLU A 35 1.557 9.854 5.073 1.00 62.15 O ATOM 514 OE2 GLU A 35 2.995 8.413 5.863 1.00 2.30 O ATOM 0 H GLU A 35 1.502 7.651 0.951 1.00 72.01 H new ATOM 0 HA GLU A 35 1.544 10.247 1.989 1.00 74.12 H new ATOM 0 HB2 GLU A 35 3.640 8.041 1.937 1.00 2.50 H new ATOM 0 HB3 GLU A 35 3.767 9.490 2.914 1.00 2.50 H new ATOM 0 HG2 GLU A 35 1.222 7.999 3.274 1.00 70.35 H new ATOM 0 HG3 GLU A 35 2.654 7.102 3.740 1.00 70.35 H new ATOM 519 N TRP A 36 3.625 9.741 -0.544 1.00 30.00 N ATOM 520 CA TRP A 36 4.422 10.411 -1.569 1.00 70.32 C ATOM 521 C TRP A 36 3.611 11.495 -2.273 1.00 41.34 C ATOM 522 O TRP A 36 3.973 12.668 -2.215 1.00 22.44 O ATOM 523 CB TRP A 36 4.969 9.399 -2.587 1.00 32.34 C ATOM 524 CG TRP A 36 5.516 10.023 -3.837 1.00 34.44 C ATOM 525 CD1 TRP A 36 6.551 10.890 -3.884 1.00 65.11 C ATOM 526 CD2 TRP A 36 4.978 9.973 -5.194 1.00 71.41 C ATOM 527 NE1 TRP A 36 6.706 11.359 -5.170 1.00 71.35 N ATOM 528 CE2 TRP A 36 5.775 10.814 -6.027 1.00 33.51 C ATOM 529 CE3 TRP A 36 3.889 9.312 -5.807 1.00 5.31 C ATOM 530 CZ2 TRP A 36 5.539 10.946 -7.404 1.00 64.21 C ATOM 531 CZ3 TRP A 36 3.619 9.472 -7.180 1.00 65.52 C ATOM 532 CH2 TRP A 36 4.441 10.289 -7.975 1.00 65.45 C ATOM 0 H TRP A 36 3.528 8.737 -0.695 1.00 30.00 H new ATOM 0 HA TRP A 36 5.267 10.888 -1.073 1.00 70.32 H new ATOM 0 HB2 TRP A 36 5.755 8.812 -2.113 1.00 32.34 H new ATOM 0 HB3 TRP A 36 4.173 8.706 -2.858 1.00 32.34 H new ATOM 0 HD1 TRP A 36 7.164 11.173 -3.041 1.00 65.11 H new ATOM 0 HE1 TRP A 36 7.422 12.028 -5.453 1.00 71.35 H new ATOM 0 HE3 TRP A 36 3.253 8.673 -5.212 1.00 5.31 H new ATOM 0 HZ2 TRP A 36 6.196 11.547 -8.016 1.00 64.21 H new ATOM 0 HZ3 TRP A 36 2.776 8.964 -7.624 1.00 65.52 H new ATOM 0 HH2 TRP A 36 4.226 10.410 -9.026 1.00 65.45 H new ATOM 542 N ALA A 37 2.528 11.117 -2.957 1.00 50.33 N ATOM 543 CA ALA A 37 1.780 12.056 -3.784 1.00 63.24 C ATOM 544 C ALA A 37 1.100 13.141 -2.939 1.00 23.41 C ATOM 545 O ALA A 37 0.944 14.270 -3.407 1.00 34.44 O ATOM 546 CB ALA A 37 0.771 11.279 -4.625 1.00 34.24 C ATOM 0 H ALA A 37 2.153 10.168 -2.952 1.00 50.33 H new ATOM 0 HA ALA A 37 2.471 12.577 -4.447 1.00 63.24 H new ATOM 0 HB1 ALA A 37 0.206 11.972 -5.248 1.00 34.24 H new ATOM 0 HB2 ALA A 37 1.298 10.568 -5.261 1.00 34.24 H new ATOM 0 HB3 ALA A 37 0.087 10.741 -3.968 1.00 34.24 H new ATOM 552 N ALA A 38 0.761 12.855 -1.678 1.00 1.14 N ATOM 553 CA ALA A 38 0.341 13.875 -0.724 1.00 12.32 C ATOM 554 C ALA A 38 1.409 14.978 -0.620 1.00 74.53 C ATOM 555 O ALA A 38 1.089 16.164 -0.716 1.00 51.03 O ATOM 556 CB ALA A 38 0.055 13.220 0.633 1.00 43.44 C ATOM 0 H ALA A 38 0.771 11.910 -1.295 1.00 1.14 H new ATOM 0 HA ALA A 38 -0.578 14.348 -1.069 1.00 12.32 H new ATOM 0 HB1 ALA A 38 -0.259 13.982 1.346 1.00 43.44 H new ATOM 0 HB2 ALA A 38 -0.738 12.480 0.520 1.00 43.44 H new ATOM 0 HB3 ALA A 38 0.958 12.731 0.999 1.00 43.44 H new ATOM 562 N GLY A 39 2.679 14.574 -0.539 1.00 74.24 N ATOM 563 CA GLY A 39 3.872 15.411 -0.568 1.00 63.12 C ATOM 564 C GLY A 39 4.170 16.080 -1.914 1.00 73.41 C ATOM 565 O GLY A 39 5.257 16.642 -2.069 1.00 63.23 O ATOM 0 H GLY A 39 2.912 13.586 -0.445 1.00 74.24 H new ATOM 0 HA2 GLY A 39 3.770 16.187 0.190 1.00 63.12 H new ATOM 0 HA3 GLY A 39 4.730 14.801 -0.286 1.00 63.12 H new ATOM 569 N LEU A 40 3.269 16.012 -2.897 1.00 73.32 N ATOM 570 CA LEU A 40 3.359 16.692 -4.187 1.00 10.03 C ATOM 571 C LEU A 40 2.195 17.641 -4.392 1.00 33.23 C ATOM 572 O LEU A 40 2.387 18.769 -4.849 1.00 45.02 O ATOM 573 CB LEU A 40 3.361 15.665 -5.325 1.00 42.33 C ATOM 574 CG LEU A 40 4.625 14.811 -5.390 1.00 10.13 C ATOM 575 CD1 LEU A 40 4.510 13.906 -6.608 1.00 12.44 C ATOM 576 CD2 LEU A 40 5.875 15.675 -5.529 1.00 42.33 C ATOM 0 H LEU A 40 2.419 15.455 -2.809 1.00 73.32 H new ATOM 0 HA LEU A 40 4.287 17.263 -4.193 1.00 10.03 H new ATOM 0 HB2 LEU A 40 2.498 15.009 -5.210 1.00 42.33 H new ATOM 0 HB3 LEU A 40 3.240 16.189 -6.273 1.00 42.33 H new ATOM 0 HG LEU A 40 4.716 14.235 -4.469 1.00 10.13 H new ATOM 0 HD11 LEU A 40 5.400 13.281 -6.683 1.00 12.44 H new ATOM 0 HD12 LEU A 40 3.629 13.272 -6.508 1.00 12.44 H new ATOM 0 HD13 LEU A 40 4.418 14.516 -7.507 1.00 12.44 H new ATOM 0 HD21 LEU A 40 6.756 15.035 -5.572 1.00 42.33 H new ATOM 0 HD22 LEU A 40 5.810 16.265 -6.443 1.00 42.33 H new ATOM 0 HD23 LEU A 40 5.953 16.343 -4.671 1.00 42.33 H new ATOM 587 N LEU A 41 0.989 17.194 -4.046 1.00 22.32 N ATOM 588 CA LEU A 41 -0.221 18.012 -4.070 1.00 65.12 C ATOM 589 C LEU A 41 -0.172 19.100 -2.990 1.00 61.25 C ATOM 590 O LEU A 41 -1.078 19.925 -2.921 1.00 23.22 O ATOM 591 CB LEU A 41 -1.441 17.115 -3.839 1.00 22.11 C ATOM 592 CG LEU A 41 -1.644 16.028 -4.911 1.00 64.41 C ATOM 593 CD1 LEU A 41 -2.254 14.794 -4.266 1.00 70.35 C ATOM 594 CD2 LEU A 41 -2.577 16.453 -6.045 1.00 63.43 C ATOM 0 H LEU A 41 0.823 16.237 -3.736 1.00 22.32 H new ATOM 0 HA LEU A 41 -0.292 18.499 -5.043 1.00 65.12 H new ATOM 0 HB2 LEU A 41 -1.344 16.634 -2.866 1.00 22.11 H new ATOM 0 HB3 LEU A 41 -2.333 17.740 -3.799 1.00 22.11 H new ATOM 0 HG LEU A 41 -0.659 15.835 -5.335 1.00 64.41 H new ATOM 0 HD11 LEU A 41 -2.399 14.022 -5.022 1.00 70.35 H new ATOM 0 HD12 LEU A 41 -1.585 14.421 -3.490 1.00 70.35 H new ATOM 0 HD13 LEU A 41 -3.215 15.053 -3.823 1.00 70.35 H new ATOM 0 HD21 LEU A 41 -2.673 15.638 -6.762 1.00 63.43 H new ATOM 0 HD22 LEU A 41 -3.559 16.695 -5.637 1.00 63.43 H new ATOM 0 HD23 LEU A 41 -2.166 17.330 -6.545 1.00 63.43 H new ATOM 605 N GLY A 42 0.842 19.093 -2.121 1.00 5.44 N ATOM 606 CA GLY A 42 0.961 20.021 -1.016 1.00 41.11 C ATOM 607 C GLY A 42 -0.116 19.763 0.017 1.00 31.53 C ATOM 608 O GLY A 42 -0.798 20.700 0.437 1.00 10.00 O ATOM 0 H GLY A 42 1.612 18.427 -2.175 1.00 5.44 H new ATOM 0 HA2 GLY A 42 1.944 19.923 -0.556 1.00 41.11 H new ATOM 0 HA3 GLY A 42 0.882 21.044 -1.384 1.00 41.11 H new ATOM 612 N LYS A 43 -0.325 18.502 0.390 1.00 31.30 N ATOM 613 CA LYS A 43 -1.223 18.179 1.488 1.00 31.43 C ATOM 614 C LYS A 43 -0.559 18.555 2.818 1.00 34.33 C ATOM 615 O LYS A 43 0.603 18.983 2.842 1.00 45.02 O ATOM 616 CB LYS A 43 -1.585 16.691 1.440 1.00 12.32 C ATOM 617 CG LYS A 43 -2.256 16.196 0.148 1.00 52.25 C ATOM 618 CD LYS A 43 -3.708 16.656 -0.040 1.00 65.31 C ATOM 619 CE LYS A 43 -4.200 16.228 -1.428 1.00 30.42 C ATOM 620 NZ LYS A 43 -5.637 16.497 -1.624 1.00 44.32 N ATOM 0 H LYS A 43 0.114 17.694 -0.051 1.00 31.30 H new ATOM 0 HA LYS A 43 -2.146 18.751 1.396 1.00 31.43 H new ATOM 0 HB2 LYS A 43 -0.675 16.112 1.597 1.00 12.32 H new ATOM 0 HB3 LYS A 43 -2.249 16.473 2.276 1.00 12.32 H new ATOM 0 HG2 LYS A 43 -1.668 16.538 -0.704 1.00 52.25 H new ATOM 0 HG3 LYS A 43 -2.230 15.106 0.136 1.00 52.25 H new ATOM 0 HD2 LYS A 43 -4.342 16.222 0.733 1.00 65.31 H new ATOM 0 HD3 LYS A 43 -3.775 17.739 0.064 1.00 65.31 H new ATOM 0 HE2 LYS A 43 -3.627 16.755 -2.192 1.00 30.42 H new ATOM 0 HE3 LYS A 43 -4.011 15.163 -1.565 1.00 30.42 H new ATOM 0 HZ1 LYS A 43 -5.921 16.190 -2.576 1.00 44.32 H new ATOM 0 HZ2 LYS A 43 -6.188 15.974 -0.913 1.00 44.32 H new ATOM 0 HZ3 LYS A 43 -5.817 17.516 -1.521 1.00 44.32 H new ATOM 630 N THR A 44 -1.278 18.404 3.926 1.00 50.14 N ATOM 631 CA THR A 44 -0.780 18.688 5.265 1.00 43.23 C ATOM 632 C THR A 44 -1.313 17.670 6.267 1.00 11.04 C ATOM 633 O THR A 44 -1.888 16.673 5.850 1.00 30.42 O ATOM 634 CB THR A 44 -1.156 20.130 5.667 1.00 50.24 C ATOM 635 OG1 THR A 44 -2.564 20.272 5.613 1.00 22.43 O ATOM 636 CG2 THR A 44 -0.554 21.232 4.795 1.00 42.32 C ATOM 0 H THR A 44 -2.243 18.074 3.916 1.00 50.14 H new ATOM 0 HA THR A 44 0.307 18.605 5.267 1.00 43.23 H new ATOM 0 HB THR A 44 -0.745 20.260 6.668 1.00 50.24 H new ATOM 0 HG1 THR A 44 -2.811 21.185 5.869 1.00 22.43 H new ATOM 0 HG21 THR A 44 -0.880 22.205 5.162 1.00 42.32 H new ATOM 0 HG22 THR A 44 0.534 21.175 4.836 1.00 42.32 H new ATOM 0 HG23 THR A 44 -0.886 21.103 3.765 1.00 42.32 H new ATOM 644 N GLY A 45 -1.114 17.865 7.574 1.00 43.35 N ATOM 645 CA GLY A 45 -1.166 16.785 8.540 1.00 12.34 C ATOM 646 C GLY A 45 -2.512 16.094 8.607 1.00 23.00 C ATOM 647 O GLY A 45 -2.538 14.918 8.945 1.00 51.15 O ATOM 0 H GLY A 45 -0.913 18.778 7.983 1.00 43.35 H new ATOM 0 HA2 GLY A 45 -0.401 16.049 8.291 1.00 12.34 H new ATOM 0 HA3 GLY A 45 -0.920 17.179 9.526 1.00 12.34 H new ATOM 651 N ASP A 46 -3.592 16.765 8.207 1.00 14.03 N ATOM 652 CA ASP A 46 -4.900 16.139 8.080 1.00 14.02 C ATOM 653 C ASP A 46 -5.170 15.755 6.626 1.00 4.00 C ATOM 654 O ASP A 46 -5.661 14.669 6.317 1.00 70.12 O ATOM 655 CB ASP A 46 -5.986 17.099 8.571 1.00 44.11 C ATOM 656 CG ASP A 46 -5.696 17.633 9.969 1.00 62.41 C ATOM 657 OD1 ASP A 46 -5.579 16.814 10.908 1.00 41.01 O ATOM 658 OD2 ASP A 46 -5.490 18.861 10.097 1.00 5.44 O ATOM 0 H ASP A 46 -3.581 17.755 7.963 1.00 14.03 H new ATOM 0 HA ASP A 46 -4.914 15.235 8.689 1.00 14.02 H new ATOM 0 HB2 ASP A 46 -6.071 17.934 7.876 1.00 44.11 H new ATOM 0 HB3 ASP A 46 -6.948 16.586 8.572 1.00 44.11 H new ATOM 662 N ASP A 47 -4.804 16.649 5.706 1.00 52.05 N ATOM 663 CA ASP A 47 -5.171 16.579 4.286 1.00 54.42 C ATOM 664 C ASP A 47 -4.504 15.371 3.627 1.00 2.43 C ATOM 665 O ASP A 47 -5.067 14.725 2.739 1.00 64.21 O ATOM 666 CB ASP A 47 -4.731 17.880 3.573 1.00 30.42 C ATOM 667 CG ASP A 47 -5.833 18.921 3.381 1.00 13.31 C ATOM 668 OD1 ASP A 47 -6.884 18.821 4.051 1.00 33.12 O ATOM 669 OD2 ASP A 47 -5.670 19.822 2.526 1.00 22.23 O ATOM 0 H ASP A 47 -4.230 17.462 5.930 1.00 52.05 H new ATOM 0 HA ASP A 47 -6.252 16.469 4.202 1.00 54.42 H new ATOM 0 HB2 ASP A 47 -3.921 18.333 4.145 1.00 30.42 H new ATOM 0 HB3 ASP A 47 -4.324 17.620 2.596 1.00 30.42 H new ATOM 673 N ALA A 48 -3.283 15.089 4.079 1.00 63.23 N ATOM 674 CA ALA A 48 -2.377 14.052 3.633 1.00 62.25 C ATOM 675 C ALA A 48 -2.867 12.695 4.120 1.00 41.32 C ATOM 676 O ALA A 48 -2.620 11.675 3.479 1.00 4.44 O ATOM 677 CB ALA A 48 -0.997 14.345 4.243 1.00 53.22 C ATOM 0 H ALA A 48 -2.873 15.636 4.836 1.00 63.23 H new ATOM 0 HA ALA A 48 -2.324 14.035 2.544 1.00 62.25 H new ATOM 0 HB1 ALA A 48 -0.289 13.580 3.925 1.00 53.22 H new ATOM 0 HB2 ALA A 48 -0.650 15.322 3.906 1.00 53.22 H new ATOM 0 HB3 ALA A 48 -1.072 14.341 5.330 1.00 53.22 H new ATOM 683 N ARG A 49 -3.555 12.673 5.265 1.00 33.13 N ATOM 684 CA ARG A 49 -4.132 11.455 5.807 1.00 51.05 C ATOM 685 C ARG A 49 -5.331 11.095 4.969 1.00 31.24 C ATOM 686 O ARG A 49 -5.386 9.962 4.512 1.00 54.41 O ATOM 687 CB ARG A 49 -4.488 11.611 7.285 1.00 14.44 C ATOM 688 CG ARG A 49 -3.210 11.929 8.059 1.00 41.42 C ATOM 689 CD ARG A 49 -3.353 11.764 9.551 1.00 30.33 C ATOM 690 NE ARG A 49 -3.153 10.372 9.989 1.00 11.41 N ATOM 691 CZ ARG A 49 -1.971 9.792 10.227 1.00 34.03 C ATOM 692 NH1 ARG A 49 -0.831 10.457 10.060 1.00 34.21 N ATOM 693 NH2 ARG A 49 -1.962 8.528 10.623 1.00 51.14 N ATOM 0 H ARG A 49 -3.723 13.501 5.836 1.00 33.13 H new ATOM 0 HA ARG A 49 -3.403 10.646 5.763 1.00 51.05 H new ATOM 0 HB2 ARG A 49 -5.219 12.409 7.417 1.00 14.44 H new ATOM 0 HB3 ARG A 49 -4.943 10.696 7.664 1.00 14.44 H new ATOM 0 HG2 ARG A 49 -2.409 11.280 7.705 1.00 41.42 H new ATOM 0 HG3 ARG A 49 -2.909 12.954 7.842 1.00 41.42 H new ATOM 0 HD2 ARG A 49 -2.631 12.407 10.055 1.00 30.33 H new ATOM 0 HD3 ARG A 49 -4.345 12.098 9.856 1.00 30.33 H new ATOM 0 HE ARG A 49 -3.988 9.801 10.122 1.00 11.41 H new ATOM 0 HH11 ARG A 49 -0.848 11.427 9.745 1.00 34.21 H new ATOM 0 HH12 ARG A 49 0.060 9.997 10.247 1.00 34.21 H new ATOM 0 HH21 ARG A 49 -2.841 8.024 10.739 1.00 51.14 H new ATOM 0 HH22 ARG A 49 -1.076 8.059 10.812 1.00 51.14 H new ATOM 704 N ALA A 50 -6.233 12.046 4.711 1.00 53.33 N ATOM 705 CA ALA A 50 -7.392 11.791 3.868 1.00 72.41 C ATOM 706 C ALA A 50 -6.963 11.237 2.508 1.00 32.43 C ATOM 707 O ALA A 50 -7.527 10.249 2.037 1.00 62.32 O ATOM 708 CB ALA A 50 -8.232 13.064 3.713 1.00 70.23 C ATOM 0 H ALA A 50 -6.178 12.997 5.076 1.00 53.33 H new ATOM 0 HA ALA A 50 -8.013 11.036 4.350 1.00 72.41 H new ATOM 0 HB1 ALA A 50 -9.095 12.856 3.080 1.00 70.23 H new ATOM 0 HB2 ALA A 50 -8.573 13.396 4.693 1.00 70.23 H new ATOM 0 HB3 ALA A 50 -7.626 13.846 3.255 1.00 70.23 H new ATOM 714 N TYR A 51 -5.952 11.851 1.885 1.00 54.23 N ATOM 715 CA TYR A 51 -5.436 11.417 0.594 1.00 13.12 C ATOM 716 C TYR A 51 -4.830 10.010 0.685 1.00 65.42 C ATOM 717 O TYR A 51 -5.062 9.162 -0.177 1.00 51.42 O ATOM 718 CB TYR A 51 -4.409 12.445 0.112 1.00 12.32 C ATOM 719 CG TYR A 51 -3.906 12.165 -1.284 1.00 11.43 C ATOM 720 CD1 TYR A 51 -2.835 11.276 -1.475 1.00 14.00 C ATOM 721 CD2 TYR A 51 -4.540 12.752 -2.394 1.00 52.25 C ATOM 722 CE1 TYR A 51 -2.423 10.944 -2.772 1.00 72.12 C ATOM 723 CE2 TYR A 51 -4.107 12.458 -3.698 1.00 50.31 C ATOM 724 CZ TYR A 51 -3.051 11.540 -3.888 1.00 42.22 C ATOM 725 OH TYR A 51 -2.642 11.224 -5.144 1.00 65.41 O ATOM 0 H TYR A 51 -5.471 12.665 2.268 1.00 54.23 H new ATOM 0 HA TYR A 51 -6.250 11.357 -0.128 1.00 13.12 H new ATOM 0 HB2 TYR A 51 -4.857 13.438 0.139 1.00 12.32 H new ATOM 0 HB3 TYR A 51 -3.565 12.458 0.801 1.00 12.32 H new ATOM 0 HD1 TYR A 51 -2.329 10.849 -0.622 1.00 14.00 H new ATOM 0 HD2 TYR A 51 -5.365 13.433 -2.243 1.00 52.25 H new ATOM 0 HE1 TYR A 51 -1.625 10.232 -2.919 1.00 72.12 H new ATOM 0 HE2 TYR A 51 -4.578 12.930 -4.548 1.00 50.31 H new ATOM 0 HH TYR A 51 -3.178 11.720 -5.797 1.00 65.41 H new ATOM 734 N ALA A 52 -4.044 9.734 1.729 1.00 12.11 N ATOM 735 CA ALA A 52 -3.472 8.417 1.962 1.00 30.32 C ATOM 736 C ALA A 52 -4.496 7.408 2.514 1.00 64.21 C ATOM 737 O ALA A 52 -4.099 6.267 2.784 1.00 70.23 O ATOM 738 CB ALA A 52 -2.260 8.538 2.897 1.00 54.44 C ATOM 0 H ALA A 52 -3.789 10.424 2.436 1.00 12.11 H new ATOM 0 HA ALA A 52 -3.151 8.024 0.997 1.00 30.32 H new ATOM 0 HB1 ALA A 52 -1.834 7.550 3.070 1.00 54.44 H new ATOM 0 HB2 ALA A 52 -1.510 9.182 2.438 1.00 54.44 H new ATOM 0 HB3 ALA A 52 -2.575 8.968 3.848 1.00 54.44 H new ATOM 744 N LEU A 53 -5.776 7.762 2.696 1.00 33.11 N ATOM 745 CA LEU A 53 -6.839 6.926 3.268 1.00 10.30 C ATOM 746 C LEU A 53 -8.117 7.120 2.454 1.00 44.02 C ATOM 747 O LEU A 53 -9.137 7.597 2.960 1.00 2.01 O ATOM 748 CB LEU A 53 -7.070 7.250 4.756 1.00 10.41 C ATOM 749 CG LEU A 53 -5.927 6.782 5.669 1.00 4.14 C ATOM 750 CD1 LEU A 53 -5.960 7.560 6.985 1.00 4.01 C ATOM 751 CD2 LEU A 53 -6.024 5.271 5.913 1.00 13.01 C ATOM 0 H LEU A 53 -6.115 8.688 2.434 1.00 33.11 H new ATOM 0 HA LEU A 53 -6.536 5.880 3.218 1.00 10.30 H new ATOM 0 HB2 LEU A 53 -7.198 8.326 4.870 1.00 10.41 H new ATOM 0 HB3 LEU A 53 -7.999 6.782 5.082 1.00 10.41 H new ATOM 0 HG LEU A 53 -4.973 6.980 5.180 1.00 4.14 H new ATOM 0 HD11 LEU A 53 -5.147 7.223 7.628 1.00 4.01 H new ATOM 0 HD12 LEU A 53 -5.844 8.625 6.781 1.00 4.01 H new ATOM 0 HD13 LEU A 53 -6.913 7.388 7.486 1.00 4.01 H new ATOM 0 HD21 LEU A 53 -5.207 4.954 6.562 1.00 13.01 H new ATOM 0 HD22 LEU A 53 -6.977 5.040 6.390 1.00 13.01 H new ATOM 0 HD23 LEU A 53 -5.957 4.744 4.961 1.00 13.01 H new ATOM 762 N THR A 54 -8.052 6.747 1.179 1.00 64.34 N ATOM 763 CA THR A 54 -9.211 6.677 0.300 1.00 51.03 C ATOM 764 C THR A 54 -8.997 5.643 -0.809 1.00 62.25 C ATOM 765 O THR A 54 -9.912 4.886 -1.136 1.00 61.52 O ATOM 766 CB THR A 54 -9.560 8.088 -0.206 1.00 1.24 C ATOM 767 OG1 THR A 54 -10.742 8.038 -0.961 1.00 63.42 O ATOM 768 CG2 THR A 54 -8.480 8.763 -1.054 1.00 74.44 C ATOM 0 H THR A 54 -7.179 6.481 0.723 1.00 64.34 H new ATOM 0 HA THR A 54 -10.081 6.321 0.852 1.00 51.03 H new ATOM 0 HB THR A 54 -9.667 8.692 0.695 1.00 1.24 H new ATOM 0 HG1 THR A 54 -10.964 8.937 -1.281 1.00 63.42 H new ATOM 0 HG21 THR A 54 -8.823 9.751 -1.361 1.00 74.44 H new ATOM 0 HG22 THR A 54 -7.566 8.862 -0.468 1.00 74.44 H new ATOM 0 HG23 THR A 54 -8.281 8.158 -1.938 1.00 74.44 H new ATOM 776 N VAL A 55 -7.774 5.526 -1.331 1.00 71.53 N ATOM 777 CA VAL A 55 -7.399 4.565 -2.368 1.00 10.33 C ATOM 778 C VAL A 55 -7.280 3.118 -1.846 1.00 50.34 C ATOM 779 O VAL A 55 -6.758 2.239 -2.535 1.00 30.32 O ATOM 780 CB VAL A 55 -6.112 5.041 -3.068 1.00 72.52 C ATOM 781 CG1 VAL A 55 -6.338 6.330 -3.873 1.00 70.24 C ATOM 782 CG2 VAL A 55 -4.941 5.277 -2.109 1.00 30.52 C ATOM 0 H VAL A 55 -6.996 6.115 -1.035 1.00 71.53 H new ATOM 0 HA VAL A 55 -8.207 4.530 -3.098 1.00 10.33 H new ATOM 0 HB VAL A 55 -5.850 4.220 -3.736 1.00 72.52 H new ATOM 0 HG11 VAL A 55 -5.405 6.630 -4.350 1.00 70.24 H new ATOM 0 HG12 VAL A 55 -7.095 6.154 -4.637 1.00 70.24 H new ATOM 0 HG13 VAL A 55 -6.674 7.122 -3.204 1.00 70.24 H new ATOM 0 HG21 VAL A 55 -4.070 5.610 -2.673 1.00 30.52 H new ATOM 0 HG22 VAL A 55 -5.215 6.040 -1.381 1.00 30.52 H new ATOM 0 HG23 VAL A 55 -4.703 4.349 -1.590 1.00 30.52 H new ATOM 792 N VAL A 56 -7.695 2.848 -0.606 1.00 21.43 N ATOM 793 CA VAL A 56 -7.495 1.582 0.088 1.00 73.44 C ATOM 794 C VAL A 56 -8.793 1.194 0.791 1.00 31.23 C ATOM 795 O VAL A 56 -8.970 1.384 1.993 1.00 43.31 O ATOM 796 CB VAL A 56 -6.225 1.669 0.954 1.00 21.30 C ATOM 797 CG1 VAL A 56 -6.335 2.552 2.205 1.00 24.21 C ATOM 798 CG2 VAL A 56 -5.715 0.290 1.359 1.00 1.14 C ATOM 0 H VAL A 56 -8.197 3.533 -0.041 1.00 21.43 H new ATOM 0 HA VAL A 56 -7.294 0.752 -0.589 1.00 73.44 H new ATOM 0 HB VAL A 56 -5.509 2.160 0.295 1.00 21.30 H new ATOM 0 HG11 VAL A 56 -5.386 2.543 2.741 1.00 24.21 H new ATOM 0 HG12 VAL A 56 -6.575 3.573 1.909 1.00 24.21 H new ATOM 0 HG13 VAL A 56 -7.122 2.168 2.854 1.00 24.21 H new ATOM 0 HG21 VAL A 56 -4.818 0.398 1.969 1.00 1.14 H new ATOM 0 HG22 VAL A 56 -6.483 -0.228 1.933 1.00 1.14 H new ATOM 0 HG23 VAL A 56 -5.479 -0.287 0.465 1.00 1.14 H new ATOM 915 N GLU A 66 -4.197 -2.370 -11.025 1.00 52.00 N ATOM 916 CA GLU A 66 -3.112 -1.795 -11.819 1.00 62.14 C ATOM 917 C GLU A 66 -3.485 -0.424 -12.398 1.00 12.12 C ATOM 918 O GLU A 66 -2.622 0.288 -12.915 1.00 14.11 O ATOM 919 CB GLU A 66 -2.687 -2.760 -12.943 1.00 73.24 C ATOM 920 CG GLU A 66 -2.462 -4.207 -12.464 1.00 73.13 C ATOM 921 CD GLU A 66 -1.564 -5.002 -13.405 1.00 54.42 C ATOM 922 OE1 GLU A 66 -0.396 -4.592 -13.583 1.00 53.40 O ATOM 923 OE2 GLU A 66 -2.036 -6.039 -13.937 1.00 71.44 O ATOM 0 HA GLU A 66 -2.267 -1.645 -11.147 1.00 62.14 H new ATOM 0 HB2 GLU A 66 -3.452 -2.758 -13.720 1.00 73.24 H new ATOM 0 HB3 GLU A 66 -1.769 -2.391 -13.399 1.00 73.24 H new ATOM 0 HG2 GLU A 66 -2.017 -4.192 -11.469 1.00 73.13 H new ATOM 0 HG3 GLU A 66 -3.425 -4.710 -12.375 1.00 73.13 H new ATOM 928 N ASP A 67 -4.745 -0.012 -12.272 1.00 42.22 N ATOM 929 CA ASP A 67 -5.273 1.219 -12.877 1.00 34.12 C ATOM 930 C ASP A 67 -4.699 2.457 -12.202 1.00 72.41 C ATOM 931 O ASP A 67 -4.620 3.536 -12.779 1.00 50.20 O ATOM 932 CB ASP A 67 -6.805 1.239 -12.815 1.00 42.34 C ATOM 933 CG ASP A 67 -7.384 1.891 -11.552 1.00 4.15 C ATOM 934 OD1 ASP A 67 -7.222 1.339 -10.444 1.00 74.23 O ATOM 935 OD2 ASP A 67 -8.104 2.908 -11.674 1.00 52.40 O ATOM 0 H ASP A 67 -5.443 -0.530 -11.738 1.00 42.22 H new ATOM 0 HA ASP A 67 -4.966 1.232 -13.923 1.00 34.12 H new ATOM 0 HB2 ASP A 67 -7.184 1.769 -13.688 1.00 42.34 H new ATOM 0 HB3 ASP A 67 -7.172 0.215 -12.880 1.00 42.34 H new ATOM 939 N VAL A 68 -4.230 2.249 -10.985 1.00 13.01 N ATOM 940 CA VAL A 68 -3.625 3.178 -10.069 1.00 33.42 C ATOM 941 C VAL A 68 -2.475 3.963 -10.724 1.00 63.10 C ATOM 942 O VAL A 68 -2.269 5.122 -10.384 1.00 71.11 O ATOM 943 CB VAL A 68 -3.230 2.331 -8.844 1.00 62.24 C ATOM 944 CG1 VAL A 68 -2.544 3.160 -7.754 1.00 61.51 C ATOM 945 CG2 VAL A 68 -4.467 1.630 -8.252 1.00 73.22 C ATOM 0 H VAL A 68 -4.273 1.316 -10.576 1.00 13.01 H new ATOM 0 HA VAL A 68 -4.302 3.974 -9.758 1.00 33.42 H new ATOM 0 HB VAL A 68 -2.515 1.588 -9.196 1.00 62.24 H new ATOM 0 HG11 VAL A 68 -2.287 2.515 -6.914 1.00 61.51 H new ATOM 0 HG12 VAL A 68 -1.637 3.611 -8.156 1.00 61.51 H new ATOM 0 HG13 VAL A 68 -3.220 3.945 -7.415 1.00 61.51 H new ATOM 0 HG21 VAL A 68 -4.170 1.036 -7.388 1.00 73.22 H new ATOM 0 HG22 VAL A 68 -5.197 2.379 -7.944 1.00 73.22 H new ATOM 0 HG23 VAL A 68 -4.911 0.978 -9.005 1.00 73.22 H new ATOM 955 N PHE A 69 -1.741 3.419 -11.702 1.00 54.42 N ATOM 956 CA PHE A 69 -0.742 4.190 -12.449 1.00 70.23 C ATOM 957 C PHE A 69 -1.432 5.335 -13.198 1.00 1.11 C ATOM 958 O PHE A 69 -1.060 6.498 -13.053 1.00 44.41 O ATOM 959 CB PHE A 69 0.041 3.236 -13.360 1.00 25.34 C ATOM 960 CG PHE A 69 0.924 3.885 -14.411 1.00 52.13 C ATOM 961 CD1 PHE A 69 2.171 4.447 -14.067 1.00 1.25 C ATOM 962 CD2 PHE A 69 0.513 3.870 -15.758 1.00 22.44 C ATOM 963 CE1 PHE A 69 2.974 5.026 -15.068 1.00 23.45 C ATOM 964 CE2 PHE A 69 1.348 4.406 -16.760 1.00 60.51 C ATOM 965 CZ PHE A 69 2.579 4.989 -16.416 1.00 61.54 C ATOM 0 H PHE A 69 -1.821 2.445 -11.995 1.00 54.42 H new ATOM 0 HA PHE A 69 -0.018 4.657 -11.781 1.00 70.23 H new ATOM 0 HB2 PHE A 69 0.666 2.600 -12.733 1.00 25.34 H new ATOM 0 HB3 PHE A 69 -0.671 2.584 -13.866 1.00 25.34 H new ATOM 0 HD1 PHE A 69 2.508 4.433 -13.041 1.00 1.25 H new ATOM 0 HD2 PHE A 69 -0.444 3.447 -16.024 1.00 22.44 H new ATOM 0 HE1 PHE A 69 3.904 5.504 -14.797 1.00 23.45 H new ATOM 0 HE2 PHE A 69 1.040 4.368 -17.795 1.00 60.51 H new ATOM 0 HZ PHE A 69 3.217 5.405 -17.182 1.00 61.54 H new ATOM 974 N ARG A 70 -2.500 5.016 -13.930 1.00 65.41 N ATOM 975 CA ARG A 70 -3.319 5.970 -14.674 1.00 50.01 C ATOM 976 C ARG A 70 -4.214 6.816 -13.757 1.00 41.30 C ATOM 977 O ARG A 70 -4.895 7.731 -14.216 1.00 31.42 O ATOM 978 CB ARG A 70 -4.149 5.171 -15.700 1.00 21.13 C ATOM 979 CG ARG A 70 -4.278 5.873 -17.059 1.00 72.12 C ATOM 980 CD ARG A 70 -5.621 6.561 -17.295 1.00 42.34 C ATOM 981 NE ARG A 70 -5.695 7.211 -18.616 1.00 32.43 N ATOM 982 CZ ARG A 70 -6.787 7.782 -19.137 1.00 51.11 C ATOM 983 NH1 ARG A 70 -7.959 7.700 -18.506 1.00 14.31 N ATOM 984 NH2 ARG A 70 -6.736 8.391 -20.314 1.00 53.33 N ATOM 0 H ARG A 70 -2.828 4.055 -14.024 1.00 65.41 H new ATOM 0 HA ARG A 70 -2.673 6.685 -15.183 1.00 50.01 H new ATOM 0 HB2 ARG A 70 -3.689 4.194 -15.846 1.00 21.13 H new ATOM 0 HB3 ARG A 70 -5.145 4.997 -15.293 1.00 21.13 H new ATOM 0 HG2 ARG A 70 -3.484 6.615 -17.147 1.00 72.12 H new ATOM 0 HG3 ARG A 70 -4.117 5.139 -17.849 1.00 72.12 H new ATOM 0 HD2 ARG A 70 -6.422 5.827 -17.209 1.00 42.34 H new ATOM 0 HD3 ARG A 70 -5.786 7.306 -16.517 1.00 42.34 H new ATOM 0 HE ARG A 70 -4.844 7.227 -19.179 1.00 32.43 H new ATOM 0 HH11 ARG A 70 -8.027 7.199 -17.620 1.00 14.31 H new ATOM 0 HH12 ARG A 70 -8.787 8.138 -18.909 1.00 14.31 H new ATOM 0 HH21 ARG A 70 -5.858 8.427 -20.832 1.00 53.33 H new ATOM 0 HH22 ARG A 70 -7.575 8.823 -20.702 1.00 53.33 H new ATOM 995 N LYS A 71 -4.275 6.507 -12.460 1.00 21.41 N ATOM 996 CA LYS A 71 -5.062 7.258 -11.481 1.00 44.44 C ATOM 997 C LYS A 71 -4.207 8.291 -10.755 1.00 63.55 C ATOM 998 O LYS A 71 -4.639 9.431 -10.589 1.00 70.51 O ATOM 999 CB LYS A 71 -5.745 6.292 -10.505 1.00 30.53 C ATOM 1000 CG LYS A 71 -6.965 6.957 -9.858 1.00 33.23 C ATOM 1001 CD LYS A 71 -7.824 5.923 -9.130 1.00 24.34 C ATOM 1002 CE LYS A 71 -9.096 6.596 -8.611 1.00 42.33 C ATOM 1003 NZ LYS A 71 -10.012 5.634 -7.973 1.00 61.24 N ATOM 0 H LYS A 71 -3.772 5.717 -12.055 1.00 21.41 H new ATOM 0 HA LYS A 71 -5.839 7.812 -12.008 1.00 44.44 H new ATOM 0 HB2 LYS A 71 -6.053 5.389 -11.033 1.00 30.53 H new ATOM 0 HB3 LYS A 71 -5.039 5.985 -9.734 1.00 30.53 H new ATOM 0 HG2 LYS A 71 -6.637 7.724 -9.156 1.00 33.23 H new ATOM 0 HG3 LYS A 71 -7.560 7.458 -10.622 1.00 33.23 H new ATOM 0 HD2 LYS A 71 -8.081 5.107 -9.805 1.00 24.34 H new ATOM 0 HD3 LYS A 71 -7.265 5.488 -8.301 1.00 24.34 H new ATOM 0 HE2 LYS A 71 -8.828 7.371 -7.893 1.00 42.33 H new ATOM 0 HE3 LYS A 71 -9.607 7.089 -9.437 1.00 42.33 H new ATOM 0 HZ1 LYS A 71 -10.860 6.133 -7.636 1.00 61.24 H new ATOM 0 HZ2 LYS A 71 -10.289 4.908 -8.664 1.00 61.24 H new ATOM 0 HZ3 LYS A 71 -9.534 5.181 -7.168 1.00 61.24 H new ATOM 1013 N LEU A 72 -2.985 7.918 -10.371 1.00 10.11 N ATOM 1014 CA LEU A 72 -1.994 8.846 -9.831 1.00 71.22 C ATOM 1015 C LEU A 72 -1.668 9.898 -10.884 1.00 62.34 C ATOM 1016 O LEU A 72 -1.604 11.076 -10.547 1.00 24.33 O ATOM 1017 CB LEU A 72 -0.717 8.099 -9.391 1.00 62.55 C ATOM 1018 CG LEU A 72 -0.692 7.589 -7.938 1.00 65.23 C ATOM 1019 CD1 LEU A 72 -0.429 8.744 -6.978 1.00 25.41 C ATOM 1020 CD2 LEU A 72 -1.960 6.846 -7.509 1.00 25.54 C ATOM 0 H LEU A 72 -2.654 6.955 -10.427 1.00 10.11 H new ATOM 0 HA LEU A 72 -2.407 9.334 -8.948 1.00 71.22 H new ATOM 0 HB2 LEU A 72 -0.573 7.247 -10.055 1.00 62.55 H new ATOM 0 HB3 LEU A 72 0.135 8.763 -9.535 1.00 62.55 H new ATOM 0 HG LEU A 72 0.118 6.861 -7.897 1.00 65.23 H new ATOM 0 HD11 LEU A 72 -0.414 8.370 -5.954 1.00 25.41 H new ATOM 0 HD12 LEU A 72 0.533 9.200 -7.212 1.00 25.41 H new ATOM 0 HD13 LEU A 72 -1.218 9.489 -7.080 1.00 25.41 H new ATOM 0 HD21 LEU A 72 -1.859 6.521 -6.473 1.00 25.54 H new ATOM 0 HD22 LEU A 72 -2.819 7.511 -7.598 1.00 25.54 H new ATOM 0 HD23 LEU A 72 -2.106 5.976 -8.149 1.00 25.54 H new ATOM 1031 N ALA A 73 -1.497 9.501 -12.149 1.00 43.05 N ATOM 1032 CA ALA A 73 -1.197 10.452 -13.215 1.00 74.40 C ATOM 1033 C ALA A 73 -2.315 11.489 -13.367 1.00 43.01 C ATOM 1034 O ALA A 73 -2.035 12.672 -13.520 1.00 13.14 O ATOM 1035 CB ALA A 73 -0.932 9.692 -14.513 1.00 45.22 C ATOM 0 H ALA A 73 -1.562 8.530 -12.455 1.00 43.05 H new ATOM 0 HA ALA A 73 -0.297 11.010 -12.957 1.00 74.40 H new ATOM 0 HB1 ALA A 73 -0.708 10.401 -15.310 1.00 45.22 H new ATOM 0 HB2 ALA A 73 -0.084 9.021 -14.375 1.00 45.22 H new ATOM 0 HB3 ALA A 73 -1.815 9.111 -14.781 1.00 45.22 H new ATOM 1041 N ALA A 74 -3.576 11.069 -13.223 1.00 24.12 N ATOM 1042 CA ALA A 74 -4.748 11.940 -13.237 1.00 43.33 C ATOM 1043 C ALA A 74 -4.865 12.839 -11.987 1.00 71.41 C ATOM 1044 O ALA A 74 -5.843 13.583 -11.856 1.00 62.35 O ATOM 1045 CB ALA A 74 -5.997 11.064 -13.421 1.00 4.42 C ATOM 0 H ALA A 74 -3.812 10.086 -13.090 1.00 24.12 H new ATOM 0 HA ALA A 74 -4.646 12.636 -14.070 1.00 43.33 H new ATOM 0 HB1 ALA A 74 -6.885 11.695 -13.434 1.00 4.42 H new ATOM 0 HB2 ALA A 74 -5.924 10.520 -14.363 1.00 4.42 H new ATOM 0 HB3 ALA A 74 -6.068 10.354 -12.597 1.00 4.42 H new ATOM 1051 N ASP A 75 -3.909 12.776 -11.055 1.00 3.11 N ATOM 1052 CA ASP A 75 -3.771 13.674 -9.910 1.00 10.03 C ATOM 1053 C ASP A 75 -2.564 14.574 -10.151 1.00 25.52 C ATOM 1054 O ASP A 75 -2.722 15.792 -10.227 1.00 1.30 O ATOM 1055 CB ASP A 75 -3.631 12.890 -8.588 1.00 65.52 C ATOM 1056 CG ASP A 75 -4.863 13.049 -7.704 1.00 4.03 C ATOM 1057 OD1 ASP A 75 -5.775 12.206 -7.841 1.00 71.24 O ATOM 1058 OD2 ASP A 75 -4.903 13.970 -6.854 1.00 44.35 O ATOM 0 H ASP A 75 -3.179 12.065 -11.082 1.00 3.11 H new ATOM 0 HA ASP A 75 -4.671 14.282 -9.813 1.00 10.03 H new ATOM 0 HB2 ASP A 75 -3.474 11.834 -8.806 1.00 65.52 H new ATOM 0 HB3 ASP A 75 -2.750 13.239 -8.050 1.00 65.52 H new ATOM 1062 N LEU A 76 -1.365 13.995 -10.291 1.00 4.13 N ATOM 1063 CA LEU A 76 -0.097 14.715 -10.401 1.00 30.24 C ATOM 1064 C LEU A 76 0.187 15.221 -11.823 1.00 21.11 C ATOM 1065 O LEU A 76 1.353 15.370 -12.170 1.00 4.03 O ATOM 1066 CB LEU A 76 1.077 13.823 -9.943 1.00 34.14 C ATOM 1067 CG LEU A 76 1.108 13.317 -8.495 1.00 51.24 C ATOM 1068 CD1 LEU A 76 0.586 14.324 -7.462 1.00 73.35 C ATOM 1069 CD2 LEU A 76 0.405 11.973 -8.363 1.00 63.31 C ATOM 0 H LEU A 76 -1.251 12.982 -10.332 1.00 4.13 H new ATOM 0 HA LEU A 76 -0.189 15.585 -9.750 1.00 30.24 H new ATOM 0 HB2 LEU A 76 1.102 12.951 -10.597 1.00 34.14 H new ATOM 0 HB3 LEU A 76 1.999 14.378 -10.117 1.00 34.14 H new ATOM 0 HG LEU A 76 2.164 13.184 -8.259 1.00 51.24 H new ATOM 0 HD11 LEU A 76 0.643 13.886 -6.466 1.00 73.35 H new ATOM 0 HD12 LEU A 76 1.194 15.228 -7.496 1.00 73.35 H new ATOM 0 HD13 LEU A 76 -0.450 14.574 -7.689 1.00 73.35 H new ATOM 0 HD21 LEU A 76 0.445 11.642 -7.325 1.00 63.31 H new ATOM 0 HD22 LEU A 76 -0.635 12.075 -8.672 1.00 63.31 H new ATOM 0 HD23 LEU A 76 0.902 11.239 -8.997 1.00 63.31 H new ATOM 1080 N GLU A 77 -0.830 15.460 -12.646 1.00 5.43 N ATOM 1081 CA GLU A 77 -0.731 15.800 -14.064 1.00 45.42 C ATOM 1082 C GLU A 77 0.023 17.133 -14.264 1.00 62.31 C ATOM 1083 O GLU A 77 -0.594 18.198 -14.327 1.00 25.51 O ATOM 1084 CB GLU A 77 -2.169 15.857 -14.618 1.00 54.23 C ATOM 1085 CG GLU A 77 -2.271 15.902 -16.149 1.00 24.42 C ATOM 1086 CD GLU A 77 -2.862 14.613 -16.736 1.00 63.51 C ATOM 1087 OE1 GLU A 77 -4.059 14.327 -16.503 1.00 53.24 O ATOM 1088 OE2 GLU A 77 -2.145 13.892 -17.469 1.00 50.34 O ATOM 0 H GLU A 77 -1.797 15.420 -12.325 1.00 5.43 H new ATOM 0 HA GLU A 77 -0.155 15.049 -14.605 1.00 45.42 H new ATOM 0 HB2 GLU A 77 -2.716 14.986 -14.257 1.00 54.23 H new ATOM 0 HB3 GLU A 77 -2.666 16.737 -14.209 1.00 54.23 H new ATOM 0 HG2 GLU A 77 -2.890 16.749 -16.444 1.00 24.42 H new ATOM 0 HG3 GLU A 77 -1.280 16.069 -16.571 1.00 24.42 H new ATOM 1093 N GLY A 78 1.352 17.113 -14.341 1.00 41.45 N ATOM 1094 CA GLY A 78 2.246 18.270 -14.431 1.00 24.40 C ATOM 1095 C GLY A 78 3.104 18.478 -13.173 1.00 63.15 C ATOM 1096 O GLY A 78 3.888 19.433 -13.108 1.00 54.11 O ATOM 0 H GLY A 78 1.868 16.233 -14.342 1.00 41.45 H new ATOM 0 HA2 GLY A 78 2.902 18.147 -15.293 1.00 24.40 H new ATOM 0 HA3 GLY A 78 1.651 19.166 -14.609 1.00 24.40 H new ATOM 1100 N LYS A 79 2.942 17.645 -12.141 1.00 10.04 N ATOM 1101 CA LYS A 79 3.776 17.600 -10.942 1.00 73.54 C ATOM 1102 C LYS A 79 4.761 16.436 -11.013 1.00 65.13 C ATOM 1103 O LYS A 79 5.927 16.627 -10.678 1.00 51.32 O ATOM 1104 CB LYS A 79 2.921 17.457 -9.687 1.00 72.41 C ATOM 1105 CG LYS A 79 1.806 18.509 -9.576 1.00 70.55 C ATOM 1106 CD LYS A 79 1.797 19.071 -8.157 1.00 42.11 C ATOM 1107 CE LYS A 79 0.463 19.698 -7.751 1.00 63.33 C ATOM 1108 NZ LYS A 79 -0.007 20.742 -8.683 1.00 53.41 N ATOM 0 H LYS A 79 2.192 16.954 -12.120 1.00 10.04 H new ATOM 0 HA LYS A 79 4.328 18.538 -10.892 1.00 73.54 H new ATOM 0 HB2 LYS A 79 2.473 16.463 -9.674 1.00 72.41 H new ATOM 0 HB3 LYS A 79 3.564 17.528 -8.810 1.00 72.41 H new ATOM 0 HG2 LYS A 79 1.970 19.309 -10.298 1.00 70.55 H new ATOM 0 HG3 LYS A 79 0.840 18.061 -9.810 1.00 70.55 H new ATOM 0 HD2 LYS A 79 2.040 18.271 -7.458 1.00 42.11 H new ATOM 0 HD3 LYS A 79 2.583 19.821 -8.068 1.00 42.11 H new ATOM 0 HE2 LYS A 79 -0.292 18.915 -7.685 1.00 63.33 H new ATOM 0 HE3 LYS A 79 0.562 20.130 -6.755 1.00 63.33 H new ATOM 0 HZ1 LYS A 79 -0.879 21.171 -8.313 1.00 53.41 H new ATOM 0 HZ2 LYS A 79 0.724 21.475 -8.781 1.00 53.41 H new ATOM 0 HZ3 LYS A 79 -0.198 20.317 -9.613 1.00 53.41 H new ATOM 1118 N ALA A 80 4.297 15.233 -11.362 1.00 73.35 N ATOM 1119 CA ALA A 80 5.107 14.030 -11.383 1.00 62.45 C ATOM 1120 C ALA A 80 4.678 13.206 -12.584 1.00 51.03 C ATOM 1121 O ALA A 80 3.585 12.641 -12.568 1.00 4.32 O ATOM 1122 CB ALA A 80 4.917 13.256 -10.075 1.00 32.31 C ATOM 0 H ALA A 80 3.329 15.074 -11.642 1.00 73.35 H new ATOM 0 HA ALA A 80 6.167 14.270 -11.468 1.00 62.45 H new ATOM 0 HB1 ALA A 80 5.527 12.353 -10.095 1.00 32.31 H new ATOM 0 HB2 ALA A 80 5.221 13.881 -9.235 1.00 32.31 H new ATOM 0 HB3 ALA A 80 3.868 12.983 -9.963 1.00 32.31 H new ATOM 1128 N ASP A 81 5.542 13.144 -13.599 1.00 64.30 N ATOM 1129 CA ASP A 81 5.228 12.483 -14.862 1.00 31.34 C ATOM 1130 C ASP A 81 5.017 10.990 -14.606 1.00 12.05 C ATOM 1131 O ASP A 81 5.548 10.441 -13.630 1.00 11.23 O ATOM 1132 CB ASP A 81 6.357 12.643 -15.903 1.00 1.05 C ATOM 1133 CG ASP A 81 6.926 14.048 -16.105 1.00 10.44 C ATOM 1134 OD1 ASP A 81 6.160 15.039 -16.110 1.00 13.11 O ATOM 1135 OD2 ASP A 81 8.169 14.186 -16.222 1.00 14.31 O ATOM 0 H ASP A 81 6.477 13.551 -13.566 1.00 64.30 H new ATOM 0 HA ASP A 81 4.328 12.950 -15.261 1.00 31.34 H new ATOM 0 HB2 ASP A 81 7.177 11.984 -15.616 1.00 1.05 H new ATOM 0 HB3 ASP A 81 5.984 12.288 -16.864 1.00 1.05 H new ATOM 1139 N GLU A 82 4.370 10.292 -15.544 1.00 61.10 N ATOM 1140 CA GLU A 82 4.211 8.855 -15.542 1.00 41.40 C ATOM 1141 C GLU A 82 5.552 8.167 -15.270 1.00 5.41 C ATOM 1142 O GLU A 82 5.603 7.215 -14.494 1.00 1.14 O ATOM 1143 CB GLU A 82 3.621 8.434 -16.895 1.00 74.52 C ATOM 1144 CG GLU A 82 2.093 8.267 -16.920 1.00 3.25 C ATOM 1145 CD GLU A 82 1.307 9.510 -17.355 1.00 70.10 C ATOM 1146 OE1 GLU A 82 1.858 10.634 -17.418 1.00 63.40 O ATOM 1147 OE2 GLU A 82 0.113 9.355 -17.695 1.00 33.13 O ATOM 0 H GLU A 82 3.931 10.738 -16.349 1.00 61.10 H new ATOM 0 HA GLU A 82 3.532 8.550 -14.746 1.00 41.40 H new ATOM 0 HB2 GLU A 82 3.901 9.176 -17.642 1.00 74.52 H new ATOM 0 HB3 GLU A 82 4.078 7.491 -17.195 1.00 74.52 H new ATOM 0 HG2 GLU A 82 1.844 7.446 -17.592 1.00 3.25 H new ATOM 0 HG3 GLU A 82 1.759 7.976 -15.924 1.00 3.25 H new ATOM 1152 N GLU A 83 6.647 8.698 -15.823 1.00 72.23 N ATOM 1153 CA GLU A 83 7.990 8.173 -15.648 1.00 0.45 C ATOM 1154 C GLU A 83 8.380 8.011 -14.177 1.00 4.33 C ATOM 1155 O GLU A 83 9.021 7.019 -13.832 1.00 1.31 O ATOM 1156 CB GLU A 83 8.998 9.090 -16.368 1.00 72.21 C ATOM 1157 CG GLU A 83 9.977 8.277 -17.214 1.00 23.45 C ATOM 1158 CD GLU A 83 9.278 7.616 -18.402 1.00 52.20 C ATOM 1159 OE1 GLU A 83 8.719 8.335 -19.264 1.00 53.02 O ATOM 1160 OE2 GLU A 83 9.238 6.363 -18.473 1.00 40.34 O ATOM 0 H GLU A 83 6.615 9.526 -16.418 1.00 72.23 H new ATOM 0 HA GLU A 83 8.008 7.175 -16.086 1.00 0.45 H new ATOM 0 HB2 GLU A 83 8.463 9.795 -17.004 1.00 72.21 H new ATOM 0 HB3 GLU A 83 9.549 9.677 -15.633 1.00 72.21 H new ATOM 0 HG2 GLU A 83 10.774 8.927 -17.575 1.00 23.45 H new ATOM 0 HG3 GLU A 83 10.446 7.512 -16.595 1.00 23.45 H new ATOM 1165 N THR A 84 8.027 8.961 -13.306 1.00 12.13 N ATOM 1166 CA THR A 84 8.392 8.862 -11.899 1.00 13.32 C ATOM 1167 C THR A 84 7.341 8.055 -11.142 1.00 71.14 C ATOM 1168 O THR A 84 7.711 7.231 -10.317 1.00 21.41 O ATOM 1169 CB THR A 84 8.675 10.256 -11.326 1.00 2.43 C ATOM 1170 OG1 THR A 84 9.544 10.191 -10.218 1.00 54.31 O ATOM 1171 CG2 THR A 84 7.450 11.039 -10.859 1.00 73.54 C ATOM 0 H THR A 84 7.495 9.796 -13.551 1.00 12.13 H new ATOM 0 HA THR A 84 9.324 8.309 -11.780 1.00 13.32 H new ATOM 0 HB THR A 84 9.113 10.779 -12.176 1.00 2.43 H new ATOM 0 HG1 THR A 84 9.707 11.095 -9.876 1.00 54.31 H new ATOM 0 HG21 THR A 84 7.764 12.009 -10.473 1.00 73.54 H new ATOM 0 HG22 THR A 84 6.770 11.185 -11.698 1.00 73.54 H new ATOM 0 HG23 THR A 84 6.941 10.482 -10.072 1.00 73.54 H new ATOM 1179 N ILE A 85 6.048 8.224 -11.433 1.00 64.21 N ATOM 1180 CA ILE A 85 4.957 7.450 -10.824 1.00 71.51 C ATOM 1181 C ILE A 85 5.264 5.957 -10.925 1.00 43.11 C ATOM 1182 O ILE A 85 5.199 5.248 -9.919 1.00 63.21 O ATOM 1183 CB ILE A 85 3.641 7.732 -11.562 1.00 51.10 C ATOM 1184 CG1 ILE A 85 3.226 9.218 -11.439 1.00 23.33 C ATOM 1185 CG2 ILE A 85 2.471 6.860 -11.050 1.00 72.41 C ATOM 1186 CD1 ILE A 85 2.031 9.635 -12.297 1.00 41.01 C ATOM 0 H ILE A 85 5.722 8.914 -12.110 1.00 64.21 H new ATOM 0 HA ILE A 85 4.863 7.741 -9.778 1.00 71.51 H new ATOM 0 HB ILE A 85 3.837 7.483 -12.605 1.00 51.10 H new ATOM 0 HG12 ILE A 85 2.994 9.428 -10.395 1.00 23.33 H new ATOM 0 HG13 ILE A 85 4.080 9.840 -11.707 1.00 23.33 H new ATOM 0 HG21 ILE A 85 1.566 7.102 -11.607 1.00 72.41 H new ATOM 0 HG22 ILE A 85 2.713 5.807 -11.191 1.00 72.41 H new ATOM 0 HG23 ILE A 85 2.308 7.056 -9.990 1.00 72.41 H new ATOM 0 HD11 ILE A 85 1.821 10.693 -12.139 1.00 41.01 H new ATOM 0 HD12 ILE A 85 2.261 9.464 -13.349 1.00 41.01 H new ATOM 0 HD13 ILE A 85 1.158 9.046 -12.016 1.00 41.01 H new ATOM 1197 N ARG A 86 5.620 5.484 -12.130 1.00 33.13 N ATOM 1198 CA ARG A 86 5.990 4.097 -12.405 1.00 31.25 C ATOM 1199 C ARG A 86 7.024 3.599 -11.410 1.00 50.02 C ATOM 1200 O ARG A 86 7.004 2.431 -11.045 1.00 34.45 O ATOM 1201 CB ARG A 86 6.569 4.005 -13.830 1.00 33.32 C ATOM 1202 CG ARG A 86 5.776 3.064 -14.730 1.00 40.32 C ATOM 1203 CD ARG A 86 6.081 1.579 -14.508 1.00 0.35 C ATOM 1204 NE ARG A 86 5.974 0.851 -15.784 1.00 52.31 N ATOM 1205 CZ ARG A 86 7.001 0.507 -16.570 1.00 20.14 C ATOM 1206 NH1 ARG A 86 8.262 0.597 -16.160 1.00 41.22 N ATOM 1207 NH2 ARG A 86 6.789 0.063 -17.799 1.00 3.05 N ATOM 0 H ARG A 86 5.658 6.077 -12.959 1.00 33.13 H new ATOM 0 HA ARG A 86 5.100 3.475 -12.315 1.00 31.25 H new ATOM 0 HB2 ARG A 86 6.585 5.000 -14.276 1.00 33.32 H new ATOM 0 HB3 ARG A 86 7.603 3.664 -13.776 1.00 33.32 H new ATOM 0 HG2 ARG A 86 4.712 3.233 -14.566 1.00 40.32 H new ATOM 0 HG3 ARG A 86 5.982 3.314 -15.771 1.00 40.32 H new ATOM 0 HD2 ARG A 86 7.083 1.462 -14.095 1.00 0.35 H new ATOM 0 HD3 ARG A 86 5.386 1.160 -13.781 1.00 0.35 H new ATOM 0 HE ARG A 86 5.039 0.587 -16.094 1.00 52.31 H new ATOM 0 HH11 ARG A 86 8.470 0.937 -15.221 1.00 41.22 H new ATOM 0 HH12 ARG A 86 9.022 0.326 -16.784 1.00 41.22 H new ATOM 0 HH21 ARG A 86 5.836 -0.019 -18.154 1.00 3.05 H new ATOM 0 HH22 ARG A 86 7.578 -0.197 -18.391 1.00 3.05 H new ATOM 1218 N ALA A 87 7.896 4.500 -10.969 1.00 70.44 N ATOM 1219 CA ALA A 87 8.985 4.164 -10.061 1.00 72.12 C ATOM 1220 C ALA A 87 8.420 3.751 -8.696 1.00 34.12 C ATOM 1221 O ALA A 87 8.643 2.638 -8.233 1.00 12.35 O ATOM 1222 CB ALA A 87 9.995 5.314 -9.977 1.00 74.32 C ATOM 0 H ALA A 87 7.867 5.485 -11.232 1.00 70.44 H new ATOM 0 HA ALA A 87 9.535 3.307 -10.448 1.00 72.12 H new ATOM 0 HB1 ALA A 87 10.800 5.042 -9.294 1.00 74.32 H new ATOM 0 HB2 ALA A 87 10.409 5.508 -10.967 1.00 74.32 H new ATOM 0 HB3 ALA A 87 9.495 6.211 -9.611 1.00 74.32 H new ATOM 1228 N LYS A 88 7.610 4.613 -8.081 1.00 12.32 N ATOM 1229 CA LYS A 88 6.896 4.377 -6.813 1.00 64.21 C ATOM 1230 C LYS A 88 5.984 3.160 -6.937 1.00 2.53 C ATOM 1231 O LYS A 88 5.957 2.297 -6.055 1.00 61.23 O ATOM 1232 CB LYS A 88 6.141 5.654 -6.404 1.00 5.25 C ATOM 1233 CG LYS A 88 7.134 6.809 -6.134 1.00 1.53 C ATOM 1234 CD LYS A 88 7.095 7.854 -7.250 1.00 32.02 C ATOM 1235 CE LYS A 88 8.375 8.685 -7.473 1.00 52.52 C ATOM 1236 NZ LYS A 88 8.829 9.446 -6.285 1.00 31.22 N ATOM 0 H LYS A 88 7.421 5.539 -8.466 1.00 12.32 H new ATOM 0 HA LYS A 88 7.607 4.151 -6.018 1.00 64.21 H new ATOM 0 HB2 LYS A 88 5.446 5.941 -7.193 1.00 5.25 H new ATOM 0 HB3 LYS A 88 5.547 5.462 -5.511 1.00 5.25 H new ATOM 0 HG2 LYS A 88 6.893 7.282 -5.182 1.00 1.53 H new ATOM 0 HG3 LYS A 88 8.144 6.409 -6.044 1.00 1.53 H new ATOM 0 HD2 LYS A 88 6.854 7.345 -8.183 1.00 32.02 H new ATOM 0 HD3 LYS A 88 6.276 8.542 -7.042 1.00 32.02 H new ATOM 0 HE2 LYS A 88 9.176 8.017 -7.789 1.00 52.52 H new ATOM 0 HE3 LYS A 88 8.201 9.384 -8.292 1.00 52.52 H new ATOM 0 HZ1 LYS A 88 9.642 10.041 -6.544 1.00 31.22 H new ATOM 0 HZ2 LYS A 88 8.054 10.049 -5.942 1.00 31.22 H new ATOM 0 HZ3 LYS A 88 9.110 8.783 -5.534 1.00 31.22 H new ATOM 1246 N MET A 89 5.270 3.044 -8.054 1.00 42.50 N ATOM 1247 CA MET A 89 4.420 1.903 -8.360 1.00 21.35 C ATOM 1248 C MET A 89 5.197 0.577 -8.341 1.00 22.31 C ATOM 1249 O MET A 89 4.572 -0.461 -8.118 1.00 11.31 O ATOM 1250 CB MET A 89 3.717 2.181 -9.698 1.00 12.03 C ATOM 1251 CG MET A 89 3.011 0.984 -10.349 1.00 32.45 C ATOM 1252 SD MET A 89 4.084 -0.146 -11.287 1.00 0.33 S ATOM 1253 CE MET A 89 2.927 -1.509 -11.590 1.00 51.42 C ATOM 0 H MET A 89 5.268 3.756 -8.784 1.00 42.50 H new ATOM 0 HA MET A 89 3.664 1.781 -7.585 1.00 21.35 H new ATOM 0 HB2 MET A 89 2.982 2.970 -9.542 1.00 12.03 H new ATOM 0 HB3 MET A 89 4.456 2.568 -10.400 1.00 12.03 H new ATOM 0 HG2 MET A 89 2.507 0.414 -9.569 1.00 32.45 H new ATOM 0 HG3 MET A 89 2.238 1.361 -11.018 1.00 32.45 H new ATOM 0 HE1 MET A 89 3.428 -2.292 -12.158 1.00 51.42 H new ATOM 0 HE2 MET A 89 2.585 -1.914 -10.638 1.00 51.42 H new ATOM 0 HE3 MET A 89 2.071 -1.141 -12.156 1.00 51.42 H new ATOM 1261 N VAL A 90 6.524 0.588 -8.507 1.00 43.33 N ATOM 1262 CA VAL A 90 7.374 -0.577 -8.331 1.00 10.55 C ATOM 1263 C VAL A 90 7.941 -0.622 -6.917 1.00 52.11 C ATOM 1264 O VAL A 90 7.745 -1.622 -6.226 1.00 73.00 O ATOM 1265 CB VAL A 90 8.485 -0.582 -9.406 1.00 52.23 C ATOM 1266 CG1 VAL A 90 9.421 -1.776 -9.180 1.00 15.34 C ATOM 1267 CG2 VAL A 90 7.967 -0.688 -10.850 1.00 34.15 C ATOM 0 H VAL A 90 7.040 1.427 -8.773 1.00 43.33 H new ATOM 0 HA VAL A 90 6.780 -1.481 -8.462 1.00 10.55 H new ATOM 0 HB VAL A 90 8.991 0.377 -9.297 1.00 52.23 H new ATOM 0 HG11 VAL A 90 10.202 -1.775 -9.940 1.00 15.34 H new ATOM 0 HG12 VAL A 90 9.876 -1.700 -8.192 1.00 15.34 H new ATOM 0 HG13 VAL A 90 8.851 -2.703 -9.247 1.00 15.34 H new ATOM 0 HG21 VAL A 90 8.811 -0.685 -11.540 1.00 34.15 H new ATOM 0 HG22 VAL A 90 7.405 -1.615 -10.968 1.00 34.15 H new ATOM 0 HG23 VAL A 90 7.318 0.160 -11.067 1.00 34.15 H new ATOM 1277 N GLU A 91 8.645 0.422 -6.490 1.00 62.23 N ATOM 1278 CA GLU A 91 9.378 0.518 -5.235 1.00 33.05 C ATOM 1279 C GLU A 91 8.531 -0.004 -4.080 1.00 1.24 C ATOM 1280 O GLU A 91 8.811 -1.042 -3.480 1.00 34.05 O ATOM 1281 CB GLU A 91 9.737 1.993 -5.004 1.00 72.00 C ATOM 1282 CG GLU A 91 10.985 2.466 -5.742 1.00 34.03 C ATOM 1283 CD GLU A 91 12.249 2.036 -5.009 1.00 13.32 C ATOM 1284 OE1 GLU A 91 12.498 2.556 -3.895 1.00 11.45 O ATOM 1285 OE2 GLU A 91 12.955 1.143 -5.530 1.00 24.02 O ATOM 0 H GLU A 91 8.723 1.274 -7.045 1.00 62.23 H new ATOM 0 HA GLU A 91 10.283 -0.088 -5.286 1.00 33.05 H new ATOM 0 HB2 GLU A 91 8.893 2.611 -5.311 1.00 72.00 H new ATOM 0 HB3 GLU A 91 9.879 2.156 -3.936 1.00 72.00 H new ATOM 0 HG2 GLU A 91 10.990 2.059 -6.753 1.00 34.03 H new ATOM 0 HG3 GLU A 91 10.967 3.552 -5.836 1.00 34.03 H new ATOM 1290 N LEU A 92 7.414 0.661 -3.788 1.00 71.44 N ATOM 1291 CA LEU A 92 6.703 0.400 -2.551 1.00 72.14 C ATOM 1292 C LEU A 92 5.978 -0.941 -2.609 1.00 24.34 C ATOM 1293 O LEU A 92 5.481 -1.468 -1.609 1.00 64.10 O ATOM 1294 CB LEU A 92 5.717 1.537 -2.327 1.00 63.14 C ATOM 1295 CG LEU A 92 6.368 2.928 -2.179 1.00 45.11 C ATOM 1296 CD1 LEU A 92 7.645 2.999 -1.335 1.00 12.24 C ATOM 1297 CD2 LEU A 92 6.538 3.700 -3.456 1.00 23.42 C ATOM 0 H LEU A 92 6.992 1.373 -4.385 1.00 71.44 H new ATOM 0 HA LEU A 92 7.409 0.346 -1.722 1.00 72.14 H new ATOM 0 HB2 LEU A 92 5.017 1.564 -3.162 1.00 63.14 H new ATOM 0 HB3 LEU A 92 5.135 1.325 -1.430 1.00 63.14 H new ATOM 0 HG LEU A 92 5.596 3.430 -1.597 1.00 45.11 H new ATOM 0 HD11 LEU A 92 8.006 4.027 -1.307 1.00 12.24 H new ATOM 0 HD12 LEU A 92 7.430 2.662 -0.321 1.00 12.24 H new ATOM 0 HD13 LEU A 92 8.409 2.359 -1.776 1.00 12.24 H new ATOM 0 HD21 LEU A 92 7.004 4.662 -3.241 1.00 23.42 H new ATOM 0 HD22 LEU A 92 7.171 3.136 -4.141 1.00 23.42 H new ATOM 0 HD23 LEU A 92 5.563 3.864 -3.915 1.00 23.42 H new ATOM 1308 N ARG A 93 5.896 -1.490 -3.814 1.00 62.23 N ATOM 1309 CA ARG A 93 5.072 -2.602 -4.195 1.00 65.44 C ATOM 1310 C ARG A 93 5.718 -3.921 -3.803 1.00 13.23 C ATOM 1311 O ARG A 93 4.970 -4.819 -3.415 1.00 30.22 O ATOM 1312 CB ARG A 93 4.841 -2.474 -5.701 1.00 54.34 C ATOM 1313 CG ARG A 93 3.375 -2.692 -6.087 1.00 64.11 C ATOM 1314 CD ARG A 93 2.508 -1.462 -5.750 1.00 1.21 C ATOM 1315 NE ARG A 93 1.060 -1.750 -5.675 1.00 65.12 N ATOM 1316 CZ ARG A 93 0.285 -2.266 -6.641 1.00 14.32 C ATOM 1317 NH1 ARG A 93 0.831 -2.644 -7.794 1.00 50.01 N ATOM 1318 NH2 ARG A 93 -1.033 -2.360 -6.461 1.00 71.52 N ATOM 0 H ARG A 93 6.447 -1.137 -4.597 1.00 62.23 H new ATOM 0 HA ARG A 93 4.115 -2.591 -3.674 1.00 65.44 H new ATOM 0 HB2 ARG A 93 5.158 -1.485 -6.032 1.00 54.34 H new ATOM 0 HB3 ARG A 93 5.464 -3.200 -6.224 1.00 54.34 H new ATOM 0 HG2 ARG A 93 3.307 -2.904 -7.154 1.00 64.11 H new ATOM 0 HG3 ARG A 93 2.987 -3.566 -5.563 1.00 64.11 H new ATOM 0 HD2 ARG A 93 2.836 -1.049 -4.796 1.00 1.21 H new ATOM 0 HD3 ARG A 93 2.677 -0.694 -6.504 1.00 1.21 H new ATOM 0 HE ARG A 93 0.599 -1.532 -4.791 1.00 65.12 H new ATOM 0 HH11 ARG A 93 1.835 -2.541 -7.941 1.00 50.01 H new ATOM 0 HH12 ARG A 93 0.245 -3.037 -8.531 1.00 50.01 H new ATOM 0 HH21 ARG A 93 -1.453 -2.039 -5.588 1.00 71.52 H new ATOM 0 HH22 ARG A 93 -1.621 -2.752 -7.196 1.00 71.52 H new ATOM 1329 N ALA A 94 7.047 -3.989 -3.714 1.00 25.01 N ATOM 1330 CA ALA A 94 7.739 -5.079 -3.021 1.00 25.02 C ATOM 1331 C ALA A 94 8.169 -4.685 -1.593 1.00 70.40 C ATOM 1332 O ALA A 94 8.248 -5.551 -0.726 1.00 73.41 O ATOM 1333 CB ALA A 94 8.910 -5.579 -3.872 1.00 24.03 C ATOM 0 H ALA A 94 7.673 -3.293 -4.119 1.00 25.01 H new ATOM 0 HA ALA A 94 7.038 -5.904 -2.895 1.00 25.02 H new ATOM 0 HB1 ALA A 94 9.419 -6.389 -3.350 1.00 24.03 H new ATOM 0 HB2 ALA A 94 8.535 -5.943 -4.829 1.00 24.03 H new ATOM 0 HB3 ALA A 94 9.610 -4.761 -4.044 1.00 24.03 H new ATOM 1339 N THR A 95 8.364 -3.396 -1.303 1.00 34.43 N ATOM 1340 CA THR A 95 8.850 -2.946 0.006 1.00 44.50 C ATOM 1341 C THR A 95 7.838 -3.272 1.102 1.00 3.31 C ATOM 1342 O THR A 95 8.170 -3.949 2.071 1.00 62.02 O ATOM 1343 CB THR A 95 9.128 -1.432 0.002 1.00 53.32 C ATOM 1344 OG1 THR A 95 10.073 -1.058 -0.971 1.00 14.12 O ATOM 1345 CG2 THR A 95 9.641 -0.888 1.335 1.00 12.31 C ATOM 0 H THR A 95 8.191 -2.638 -1.964 1.00 34.43 H new ATOM 0 HA THR A 95 9.781 -3.476 0.209 1.00 44.50 H new ATOM 0 HB THR A 95 8.149 -1.004 -0.215 1.00 53.32 H new ATOM 0 HG1 THR A 95 9.644 -1.034 -1.852 1.00 14.12 H new ATOM 0 HG21 THR A 95 9.812 0.185 1.248 1.00 12.31 H new ATOM 0 HG22 THR A 95 8.902 -1.076 2.113 1.00 12.31 H new ATOM 0 HG23 THR A 95 10.576 -1.385 1.595 1.00 12.31 H new ATOM 1353 N ALA A 96 6.611 -2.749 0.986 1.00 14.24 N ATOM 1354 CA ALA A 96 5.642 -2.791 2.074 1.00 61.12 C ATOM 1355 C ALA A 96 5.295 -4.228 2.489 1.00 45.24 C ATOM 1356 O ALA A 96 5.025 -4.465 3.661 1.00 52.31 O ATOM 1357 CB ALA A 96 4.389 -2.004 1.686 1.00 42.44 C ATOM 0 H ALA A 96 6.270 -2.290 0.141 1.00 14.24 H new ATOM 0 HA ALA A 96 6.097 -2.322 2.946 1.00 61.12 H new ATOM 0 HB1 ALA A 96 3.669 -2.040 2.504 1.00 42.44 H new ATOM 0 HB2 ALA A 96 4.658 -0.967 1.485 1.00 42.44 H new ATOM 0 HB3 ALA A 96 3.945 -2.444 0.793 1.00 42.44 H new ATOM 1363 N ARG A 97 5.342 -5.181 1.550 1.00 3.22 N ATOM 1364 CA ARG A 97 5.329 -6.624 1.775 1.00 22.25 C ATOM 1365 C ARG A 97 6.398 -6.995 2.793 1.00 5.33 C ATOM 1366 O ARG A 97 6.077 -7.448 3.890 1.00 10.31 O ATOM 1367 CB ARG A 97 5.599 -7.379 0.450 1.00 3.12 C ATOM 1368 CG ARG A 97 4.344 -7.908 -0.263 1.00 64.34 C ATOM 1369 CD ARG A 97 4.591 -9.227 -1.021 1.00 2.15 C ATOM 1370 NE ARG A 97 5.840 -9.228 -1.802 1.00 52.41 N ATOM 1371 CZ ARG A 97 6.193 -10.117 -2.735 1.00 61.40 C ATOM 1372 NH1 ARG A 97 5.368 -11.059 -3.164 1.00 35.11 N ATOM 1373 NH2 ARG A 97 7.398 -10.037 -3.279 1.00 32.41 N ATOM 0 H ARG A 97 5.393 -4.948 0.558 1.00 3.22 H new ATOM 0 HA ARG A 97 4.347 -6.909 2.153 1.00 22.25 H new ATOM 0 HB2 ARG A 97 6.130 -6.712 -0.229 1.00 3.12 H new ATOM 0 HB3 ARG A 97 6.263 -8.219 0.656 1.00 3.12 H new ATOM 0 HG2 ARG A 97 3.553 -8.060 0.471 1.00 64.34 H new ATOM 0 HG3 ARG A 97 3.987 -7.154 -0.964 1.00 64.34 H new ATOM 0 HD2 ARG A 97 4.618 -10.049 -0.306 1.00 2.15 H new ATOM 0 HD3 ARG A 97 3.752 -9.415 -1.691 1.00 2.15 H new ATOM 0 HE ARG A 97 6.501 -8.475 -1.612 1.00 52.41 H new ATOM 0 HH11 ARG A 97 4.425 -11.124 -2.781 1.00 35.11 H new ATOM 0 HH12 ARG A 97 5.675 -11.719 -3.878 1.00 35.11 H new ATOM 0 HH21 ARG A 97 8.043 -9.304 -2.985 1.00 32.41 H new ATOM 0 HH22 ARG A 97 7.681 -10.709 -3.992 1.00 32.41 H new ATOM 1384 N GLU A 98 7.663 -6.817 2.423 1.00 43.44 N ATOM 1385 CA GLU A 98 8.820 -7.221 3.189 1.00 12.53 C ATOM 1386 C GLU A 98 8.910 -6.450 4.512 1.00 14.24 C ATOM 1387 O GLU A 98 9.515 -6.941 5.464 1.00 5.25 O ATOM 1388 CB GLU A 98 10.023 -6.983 2.271 1.00 71.10 C ATOM 1389 CG GLU A 98 11.294 -7.632 2.799 1.00 30.13 C ATOM 1390 CD GLU A 98 12.435 -7.459 1.796 1.00 10.35 C ATOM 1391 OE1 GLU A 98 12.395 -8.064 0.696 1.00 21.12 O ATOM 1392 OE2 GLU A 98 13.354 -6.653 2.061 1.00 73.00 O ATOM 0 H GLU A 98 7.912 -6.367 1.542 1.00 43.44 H new ATOM 0 HA GLU A 98 8.771 -8.268 3.487 1.00 12.53 H new ATOM 0 HB2 GLU A 98 9.803 -7.377 1.279 1.00 71.10 H new ATOM 0 HB3 GLU A 98 10.185 -5.911 2.160 1.00 71.10 H new ATOM 0 HG2 GLU A 98 11.569 -7.184 3.754 1.00 30.13 H new ATOM 0 HG3 GLU A 98 11.120 -8.692 2.982 1.00 30.13 H new ATOM 1397 N GLN A 99 8.271 -5.280 4.594 1.00 70.32 N ATOM 1398 CA GLN A 99 8.211 -4.423 5.766 1.00 25.01 C ATOM 1399 C GLN A 99 7.085 -4.774 6.756 1.00 2.34 C ATOM 1400 O GLN A 99 7.093 -4.223 7.847 1.00 2.52 O ATOM 1401 CB GLN A 99 8.141 -2.948 5.313 1.00 44.35 C ATOM 1402 CG GLN A 99 9.548 -2.416 4.990 1.00 34.14 C ATOM 1403 CD GLN A 99 9.660 -0.910 4.740 1.00 32.42 C ATOM 1404 OE1 GLN A 99 10.749 -0.418 4.452 1.00 51.11 O ATOM 1405 NE2 GLN A 99 8.590 -0.135 4.824 1.00 32.42 N ATOM 0 H GLN A 99 7.758 -4.892 3.802 1.00 70.32 H new ATOM 0 HA GLN A 99 9.125 -4.594 6.334 1.00 25.01 H new ATOM 0 HB2 GLN A 99 7.502 -2.861 4.434 1.00 44.35 H new ATOM 0 HB3 GLN A 99 7.688 -2.342 6.097 1.00 44.35 H new ATOM 0 HG2 GLN A 99 10.211 -2.677 5.815 1.00 34.14 H new ATOM 0 HG3 GLN A 99 9.918 -2.938 4.108 1.00 34.14 H new ATOM 0 HE21 GLN A 99 7.685 -0.540 5.063 1.00 32.42 H new ATOM 0 HE22 GLN A 99 8.671 0.867 4.650 1.00 32.42 H new ATOM 1412 N ILE A 100 6.147 -5.679 6.452 1.00 25.42 N ATOM 1413 CA ILE A 100 5.003 -5.995 7.325 1.00 22.33 C ATOM 1414 C ILE A 100 5.394 -6.313 8.774 1.00 64.03 C ATOM 1415 O ILE A 100 4.892 -5.666 9.692 1.00 12.32 O ATOM 1416 CB ILE A 100 4.119 -7.101 6.685 1.00 1.41 C ATOM 1417 CG1 ILE A 100 3.243 -6.572 5.523 1.00 22.42 C ATOM 1418 CG2 ILE A 100 3.215 -7.873 7.671 1.00 43.52 C ATOM 1419 CD1 ILE A 100 2.430 -5.313 5.858 1.00 3.50 C ATOM 0 H ILE A 100 6.158 -6.219 5.587 1.00 25.42 H new ATOM 0 HA ILE A 100 4.406 -5.086 7.402 1.00 22.33 H new ATOM 0 HB ILE A 100 4.859 -7.805 6.304 1.00 1.41 H new ATOM 0 HG12 ILE A 100 3.886 -6.357 4.669 1.00 22.42 H new ATOM 0 HG13 ILE A 100 2.557 -7.361 5.215 1.00 22.42 H new ATOM 0 HG21 ILE A 100 2.639 -8.621 7.127 1.00 43.52 H new ATOM 0 HG22 ILE A 100 3.833 -8.366 8.422 1.00 43.52 H new ATOM 0 HG23 ILE A 100 2.534 -7.177 8.161 1.00 43.52 H new ATOM 0 HD11 ILE A 100 1.847 -5.014 4.987 1.00 3.50 H new ATOM 0 HD12 ILE A 100 1.758 -5.525 6.689 1.00 3.50 H new ATOM 0 HD13 ILE A 100 3.108 -4.506 6.136 1.00 3.50 H new ATOM 1430 N ILE A 101 6.217 -7.333 9.013 1.00 44.14 N ATOM 1431 CA ILE A 101 6.593 -7.733 10.361 1.00 23.04 C ATOM 1432 C ILE A 101 7.526 -6.671 10.953 1.00 63.34 C ATOM 1433 O ILE A 101 7.463 -6.404 12.152 1.00 51.31 O ATOM 1434 CB ILE A 101 7.239 -9.130 10.298 1.00 54.53 C ATOM 1435 CG1 ILE A 101 6.278 -10.188 9.711 1.00 4.12 C ATOM 1436 CG2 ILE A 101 7.828 -9.556 11.645 1.00 52.55 C ATOM 1437 CD1 ILE A 101 5.131 -10.642 10.616 1.00 1.13 C ATOM 0 H ILE A 101 6.639 -7.901 8.278 1.00 44.14 H new ATOM 0 HA ILE A 101 5.725 -7.802 11.016 1.00 23.04 H new ATOM 0 HB ILE A 101 8.078 -9.058 9.606 1.00 54.53 H new ATOM 0 HG12 ILE A 101 5.850 -9.788 8.792 1.00 4.12 H new ATOM 0 HG13 ILE A 101 6.863 -11.065 9.435 1.00 4.12 H new ATOM 0 HG21 ILE A 101 8.272 -10.547 11.551 1.00 52.55 H new ATOM 0 HG22 ILE A 101 8.594 -8.843 11.949 1.00 52.55 H new ATOM 0 HG23 ILE A 101 7.038 -9.582 12.396 1.00 52.55 H new ATOM 0 HD11 ILE A 101 4.527 -11.384 10.094 1.00 1.13 H new ATOM 0 HD12 ILE A 101 5.538 -11.081 11.527 1.00 1.13 H new ATOM 0 HD13 ILE A 101 4.509 -9.784 10.873 1.00 1.13 H new ATOM 1448 N SER A 102 8.339 -6.050 10.098 1.00 10.22 N ATOM 1449 CA SER A 102 9.265 -4.966 10.405 1.00 73.34 C ATOM 1450 C SER A 102 8.536 -3.664 10.786 1.00 41.33 C ATOM 1451 O SER A 102 9.202 -2.675 11.086 1.00 10.22 O ATOM 1452 CB SER A 102 10.135 -4.767 9.156 1.00 5.52 C ATOM 1453 OG SER A 102 11.317 -4.025 9.365 1.00 64.01 O ATOM 0 H SER A 102 8.368 -6.309 9.112 1.00 10.22 H new ATOM 0 HA SER A 102 9.871 -5.225 11.273 1.00 73.34 H new ATOM 0 HB2 SER A 102 10.404 -5.746 8.759 1.00 5.52 H new ATOM 0 HB3 SER A 102 9.539 -4.266 8.393 1.00 5.52 H new ATOM 0 HG SER A 102 11.145 -3.313 10.016 1.00 64.01 H new ATOM 1458 N GLU A 103 7.201 -3.629 10.758 1.00 14.54 N ATOM 1459 CA GLU A 103 6.369 -2.476 11.082 1.00 23.24 C ATOM 1460 C GLU A 103 5.563 -2.729 12.369 1.00 31.24 C ATOM 1461 O GLU A 103 5.065 -1.773 12.974 1.00 34.10 O ATOM 1462 CB GLU A 103 5.495 -2.218 9.841 1.00 74.12 C ATOM 1463 CG GLU A 103 4.301 -1.276 9.997 1.00 24.30 C ATOM 1464 CD GLU A 103 4.619 0.220 10.123 1.00 22.24 C ATOM 1465 OE1 GLU A 103 5.751 0.645 9.802 1.00 42.22 O ATOM 1466 OE2 GLU A 103 3.664 0.995 10.385 1.00 31.11 O ATOM 0 H GLU A 103 6.648 -4.445 10.496 1.00 14.54 H new ATOM 0 HA GLU A 103 6.958 -1.585 11.299 1.00 23.24 H new ATOM 0 HB2 GLU A 103 6.137 -1.819 9.056 1.00 74.12 H new ATOM 0 HB3 GLU A 103 5.120 -3.179 9.489 1.00 74.12 H new ATOM 0 HG2 GLU A 103 3.644 -1.414 9.138 1.00 24.30 H new ATOM 0 HG3 GLU A 103 3.740 -1.581 10.880 1.00 24.30 H new ATOM 1471 N ILE A 104 5.425 -3.992 12.799 1.00 34.13 N ATOM 1472 CA ILE A 104 4.821 -4.341 14.094 1.00 12.24 C ATOM 1473 C ILE A 104 5.620 -3.659 15.200 1.00 22.34 C ATOM 1474 O ILE A 104 5.016 -3.108 16.150 1.00 4.23 O ATOM 1475 CB ILE A 104 4.755 -5.873 14.304 1.00 72.15 C ATOM 1476 CG1 ILE A 104 3.991 -6.555 13.147 1.00 24.13 C ATOM 1477 CG2 ILE A 104 4.099 -6.231 15.655 1.00 31.10 C ATOM 1478 CD1 ILE A 104 3.928 -8.082 13.256 1.00 23.34 C ATOM 0 H ILE A 104 5.729 -4.801 12.258 1.00 34.13 H new ATOM 0 HA ILE A 104 3.790 -3.988 14.117 1.00 12.24 H new ATOM 0 HB ILE A 104 5.780 -6.243 14.315 1.00 72.15 H new ATOM 0 HG12 ILE A 104 2.975 -6.161 13.114 1.00 24.13 H new ATOM 0 HG13 ILE A 104 4.467 -6.288 12.204 1.00 24.13 H new ATOM 0 HG21 ILE A 104 4.069 -7.315 15.769 1.00 31.10 H new ATOM 0 HG22 ILE A 104 4.680 -5.796 16.468 1.00 31.10 H new ATOM 0 HG23 ILE A 104 3.084 -5.835 15.683 1.00 31.10 H new ATOM 0 HD11 ILE A 104 3.376 -8.485 12.407 1.00 23.34 H new ATOM 0 HD12 ILE A 104 4.939 -8.489 13.257 1.00 23.34 H new ATOM 0 HD13 ILE A 104 3.424 -8.360 14.182 1.00 23.34 H new