USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 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 16 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 19 LYS NZ :NH3+ -160:sc= -0.0877 (180deg=-0.437) USER MOD Single : A 22 THR OG1 : rot 71:sc= 1.01 USER MOD Single : A 27 HIS : no HD1:sc= -0.423 K(o=-0.42,f=-1.3) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.958 USER MOD Single : A 34 SER OG : rot -78:sc= 0.748 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 163:sc= -1.41 (180deg=-2.02!) USER MOD Single : A 38 ASN : amide:sc=-0.000585 X(o=-0.00059,f=-0.32) USER MOD Single : A 40 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.059) USER MOD Single : A 41 CYS SG : rot 167:sc= 1.49 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.0206 (180deg=-0.212) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 2:sc= 0.551 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -140:sc= 0 USER MOD Single : A 51 SER OG : rot 92:sc= 0.554! USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= -1.26 (180deg=-3.57!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 69 TYR OH : rot 46:sc= 0.139 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0768) USER MOD Single : A 73 GLN : amide:sc=-0.00415 K(o=-0.0041,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 219 N ILE A 15 10.933 7.323 -2.543 1.00 43.43 N ATOM 220 CA ILE A 15 9.800 6.440 -2.821 1.00 73.23 C ATOM 221 C ILE A 15 8.506 6.993 -2.202 1.00 33.45 C ATOM 222 O ILE A 15 8.251 6.838 -1.005 1.00 52.15 O ATOM 223 CB ILE A 15 10.065 5.003 -2.299 1.00 52.23 C ATOM 224 CG1 ILE A 15 11.328 4.423 -2.962 1.00 31.21 C ATOM 225 CG2 ILE A 15 8.857 4.101 -2.550 1.00 52.32 C ATOM 226 CD1 ILE A 15 11.657 3.008 -2.534 1.00 12.45 C ATOM 0 HA ILE A 15 9.679 6.397 -3.903 1.00 73.23 H new ATOM 0 HB ILE A 15 10.228 5.050 -1.222 1.00 52.23 H new ATOM 0 HG12 ILE A 15 11.199 4.443 -4.044 1.00 31.21 H new ATOM 0 HG13 ILE A 15 12.176 5.068 -2.730 1.00 31.21 H new ATOM 0 HG21 ILE A 15 9.067 3.099 -2.175 1.00 52.32 H new ATOM 0 HG22 ILE A 15 7.987 4.506 -2.034 1.00 52.32 H new ATOM 0 HG23 ILE A 15 8.655 4.053 -3.620 1.00 52.32 H new ATOM 0 HD11 ILE A 15 12.559 2.674 -3.046 1.00 12.45 H new ATOM 0 HD12 ILE A 15 11.820 2.982 -1.457 1.00 12.45 H new ATOM 0 HD13 ILE A 15 10.828 2.348 -2.791 1.00 12.45 H new ATOM 238 N THR A 16 7.707 7.667 -3.026 1.00 31.31 N ATOM 239 CA THR A 16 6.431 8.250 -2.584 1.00 2.24 C ATOM 240 C THR A 16 5.398 7.170 -2.251 1.00 2.41 C ATOM 241 O THR A 16 5.594 5.992 -2.554 1.00 62.45 O ATOM 242 CB THR A 16 5.824 9.176 -3.666 1.00 25.44 C ATOM 243 OG1 THR A 16 5.434 8.402 -4.815 1.00 53.23 O ATOM 244 CG2 THR A 16 6.819 10.250 -4.091 1.00 71.43 C ATOM 0 H THR A 16 7.918 7.827 -4.011 1.00 31.31 H new ATOM 0 HA THR A 16 6.659 8.827 -1.688 1.00 2.24 H new ATOM 0 HB THR A 16 4.948 9.664 -3.238 1.00 25.44 H new ATOM 0 HG1 THR A 16 5.050 8.995 -5.494 1.00 53.23 H new ATOM 0 HG21 THR A 16 6.366 10.886 -4.852 1.00 71.43 H new ATOM 0 HG22 THR A 16 7.091 10.856 -3.227 1.00 71.43 H new ATOM 0 HG23 THR A 16 7.713 9.777 -4.499 1.00 71.43 H new ATOM 252 N LEU A 17 4.289 7.571 -1.630 1.00 22.31 N ATOM 253 CA LEU A 17 3.193 6.644 -1.330 1.00 32.34 C ATOM 254 C LEU A 17 2.682 5.947 -2.605 1.00 45.05 C ATOM 255 O LEU A 17 2.272 4.785 -2.567 1.00 63.13 O ATOM 256 CB LEU A 17 2.048 7.393 -0.629 1.00 55.14 C ATOM 257 CG LEU A 17 0.855 6.528 -0.183 1.00 70.04 C ATOM 258 CD1 LEU A 17 1.311 5.403 0.742 1.00 35.03 C ATOM 259 CD2 LEU A 17 -0.203 7.393 0.498 1.00 12.02 C ATOM 0 H LEU A 17 4.124 8.530 -1.324 1.00 22.31 H new ATOM 0 HA LEU A 17 3.574 5.871 -0.662 1.00 32.34 H new ATOM 0 HB2 LEU A 17 2.453 7.899 0.247 1.00 55.14 H new ATOM 0 HB3 LEU A 17 1.680 8.167 -1.302 1.00 55.14 H new ATOM 0 HG LEU A 17 0.412 6.073 -1.069 1.00 70.04 H new ATOM 0 HD11 LEU A 17 0.449 4.807 1.042 1.00 35.03 H new ATOM 0 HD12 LEU A 17 2.026 4.769 0.218 1.00 35.03 H new ATOM 0 HD13 LEU A 17 1.784 5.829 1.627 1.00 35.03 H new ATOM 0 HD21 LEU A 17 -1.040 6.767 0.808 1.00 12.02 H new ATOM 0 HD22 LEU A 17 0.231 7.877 1.373 1.00 12.02 H new ATOM 0 HD23 LEU A 17 -0.556 8.152 -0.200 1.00 12.02 H new ATOM 271 N GLN A 18 2.721 6.661 -3.735 1.00 3.44 N ATOM 272 CA GLN A 18 2.356 6.079 -5.032 1.00 33.13 C ATOM 273 C GLN A 18 3.344 4.973 -5.434 1.00 54.12 C ATOM 274 O GLN A 18 2.948 3.841 -5.712 1.00 33.32 O ATOM 275 CB GLN A 18 2.312 7.165 -6.121 1.00 42.23 C ATOM 276 CG GLN A 18 2.181 6.611 -7.541 1.00 44.23 C ATOM 277 CD GLN A 18 2.080 7.691 -8.604 1.00 72.34 C ATOM 278 OE1 GLN A 18 2.587 8.794 -8.443 1.00 64.40 O ATOM 279 NE2 GLN A 18 1.431 7.379 -9.709 1.00 52.54 N ATOM 0 H GLN A 18 3.001 7.641 -3.778 1.00 3.44 H new ATOM 0 HA GLN A 18 1.364 5.639 -4.933 1.00 33.13 H new ATOM 0 HB2 GLN A 18 1.473 7.832 -5.922 1.00 42.23 H new ATOM 0 HB3 GLN A 18 3.219 7.766 -6.058 1.00 42.23 H new ATOM 0 HG2 GLN A 18 3.042 5.979 -7.757 1.00 44.23 H new ATOM 0 HG3 GLN A 18 1.297 5.975 -7.595 1.00 44.23 H new ATOM 0 HE21 GLN A 18 1.019 6.452 -9.814 1.00 52.54 H new ATOM 0 HE22 GLN A 18 1.341 8.065 -10.458 1.00 52.54 H new ATOM 288 N LYS A 19 4.630 5.317 -5.454 1.00 43.03 N ATOM 289 CA LYS A 19 5.695 4.368 -5.816 1.00 51.14 C ATOM 290 C LYS A 19 5.672 3.130 -4.904 1.00 41.54 C ATOM 291 O LYS A 19 5.702 1.990 -5.373 1.00 22.34 O ATOM 292 CB LYS A 19 7.057 5.073 -5.719 1.00 54.21 C ATOM 293 CG LYS A 19 8.230 4.272 -6.279 1.00 33.32 C ATOM 294 CD LYS A 19 8.045 3.966 -7.762 1.00 1.14 C ATOM 295 CE LYS A 19 9.337 3.486 -8.411 1.00 32.40 C ATOM 296 NZ LYS A 19 10.388 4.541 -8.396 1.00 4.41 N ATOM 0 H LYS A 19 4.967 6.252 -5.223 1.00 43.03 H new ATOM 0 HA LYS A 19 5.528 4.030 -6.839 1.00 51.14 H new ATOM 0 HB2 LYS A 19 6.998 6.024 -6.249 1.00 54.21 H new ATOM 0 HB3 LYS A 19 7.258 5.303 -4.673 1.00 54.21 H new ATOM 0 HG2 LYS A 19 9.155 4.831 -6.135 1.00 33.32 H new ATOM 0 HG3 LYS A 19 8.332 3.339 -5.724 1.00 33.32 H new ATOM 0 HD2 LYS A 19 7.274 3.204 -7.882 1.00 1.14 H new ATOM 0 HD3 LYS A 19 7.692 4.860 -8.275 1.00 1.14 H new ATOM 0 HE2 LYS A 19 9.701 2.603 -7.886 1.00 32.40 H new ATOM 0 HE3 LYS A 19 9.138 3.186 -9.440 1.00 32.40 H new ATOM 0 HZ1 LYS A 19 11.107 4.325 -9.116 1.00 4.41 H new ATOM 0 HZ2 LYS A 19 9.956 5.464 -8.603 1.00 4.41 H new ATOM 0 HZ3 LYS A 19 10.836 4.571 -7.458 1.00 4.41 H new ATOM 310 N LEU A 20 5.602 3.382 -3.598 1.00 13.42 N ATOM 311 CA LEU A 20 5.536 2.324 -2.584 1.00 60.03 C ATOM 312 C LEU A 20 4.343 1.385 -2.839 1.00 61.05 C ATOM 313 O LEU A 20 4.504 0.166 -2.942 1.00 71.12 O ATOM 314 CB LEU A 20 5.446 2.981 -1.189 1.00 52.03 C ATOM 315 CG LEU A 20 5.506 2.040 0.032 1.00 44.52 C ATOM 316 CD1 LEU A 20 6.017 2.789 1.260 1.00 65.21 C ATOM 317 CD2 LEU A 20 4.135 1.427 0.332 1.00 53.54 C ATOM 0 H LEU A 20 5.589 4.325 -3.210 1.00 13.42 H new ATOM 0 HA LEU A 20 6.436 1.711 -2.637 1.00 60.03 H new ATOM 0 HB2 LEU A 20 6.258 3.703 -1.101 1.00 52.03 H new ATOM 0 HB3 LEU A 20 4.513 3.543 -1.138 1.00 52.03 H new ATOM 0 HG LEU A 20 6.197 1.232 -0.209 1.00 44.52 H new ATOM 0 HD11 LEU A 20 6.053 2.110 2.112 1.00 65.21 H new ATOM 0 HD12 LEU A 20 7.017 3.174 1.061 1.00 65.21 H new ATOM 0 HD13 LEU A 20 5.347 3.618 1.485 1.00 65.21 H new ATOM 0 HD21 LEU A 20 4.212 0.769 1.198 1.00 53.54 H new ATOM 0 HD22 LEU A 20 3.419 2.222 0.543 1.00 53.54 H new ATOM 0 HD23 LEU A 20 3.796 0.853 -0.531 1.00 53.54 H new ATOM 329 N LEU A 21 3.148 1.966 -2.947 1.00 52.35 N ATOM 330 CA LEU A 21 1.928 1.193 -3.206 1.00 14.51 C ATOM 331 C LEU A 21 2.031 0.401 -4.521 1.00 50.15 C ATOM 332 O LEU A 21 1.612 -0.756 -4.597 1.00 23.11 O ATOM 333 CB LEU A 21 0.712 2.130 -3.243 1.00 24.02 C ATOM 334 CG LEU A 21 -0.650 1.445 -3.444 1.00 32.40 C ATOM 335 CD1 LEU A 21 -0.944 0.466 -2.308 1.00 62.32 C ATOM 336 CD2 LEU A 21 -1.757 2.489 -3.559 1.00 63.12 C ATOM 0 H LEU A 21 2.996 2.971 -2.859 1.00 52.35 H new ATOM 0 HA LEU A 21 1.805 0.475 -2.395 1.00 14.51 H new ATOM 0 HB2 LEU A 21 0.681 2.693 -2.310 1.00 24.02 H new ATOM 0 HB3 LEU A 21 0.857 2.852 -4.046 1.00 24.02 H new ATOM 0 HG LEU A 21 -0.613 0.876 -4.373 1.00 32.40 H new ATOM 0 HD11 LEU A 21 -1.913 -0.005 -2.475 1.00 62.32 H new ATOM 0 HD12 LEU A 21 -0.169 -0.300 -2.278 1.00 62.32 H new ATOM 0 HD13 LEU A 21 -0.960 1.003 -1.360 1.00 62.32 H new ATOM 0 HD21 LEU A 21 -2.715 1.989 -3.701 1.00 63.12 H new ATOM 0 HD22 LEU A 21 -1.791 3.086 -2.647 1.00 63.12 H new ATOM 0 HD23 LEU A 21 -1.557 3.139 -4.411 1.00 63.12 H new ATOM 348 N THR A 22 2.598 1.029 -5.551 1.00 3.43 N ATOM 349 CA THR A 22 2.793 0.375 -6.854 1.00 35.32 C ATOM 350 C THR A 22 3.580 -0.933 -6.706 1.00 64.11 C ATOM 351 O THR A 22 3.128 -1.995 -7.140 1.00 75.24 O ATOM 352 CB THR A 22 3.542 1.299 -7.855 1.00 34.02 C ATOM 353 OG1 THR A 22 2.756 2.467 -8.148 1.00 73.25 O ATOM 354 CG2 THR A 22 3.864 0.571 -9.157 1.00 71.20 C ATOM 0 H THR A 22 2.932 1.992 -5.512 1.00 3.43 H new ATOM 0 HA THR A 22 1.798 0.160 -7.244 1.00 35.32 H new ATOM 0 HB THR A 22 4.478 1.596 -7.382 1.00 34.02 H new ATOM 0 HG1 THR A 22 2.734 3.052 -7.362 1.00 73.25 H new ATOM 0 HG21 THR A 22 4.387 1.248 -9.832 1.00 71.20 H new ATOM 0 HG22 THR A 22 4.496 -0.291 -8.945 1.00 71.20 H new ATOM 0 HG23 THR A 22 2.938 0.236 -9.625 1.00 71.20 H new ATOM 362 N GLU A 23 4.746 -0.855 -6.068 1.00 23.23 N ATOM 363 CA GLU A 23 5.601 -2.033 -5.876 1.00 21.25 C ATOM 364 C GLU A 23 4.875 -3.141 -5.086 1.00 1.33 C ATOM 365 O GLU A 23 5.127 -4.333 -5.288 1.00 34.43 O ATOM 366 CB GLU A 23 6.907 -1.631 -5.174 1.00 65.14 C ATOM 367 CG GLU A 23 7.763 -0.650 -5.984 1.00 13.02 C ATOM 368 CD GLU A 23 9.093 -0.313 -5.319 1.00 73.11 C ATOM 369 OE1 GLU A 23 9.960 -1.209 -5.223 1.00 33.33 O ATOM 370 OE2 GLU A 23 9.285 0.847 -4.896 1.00 55.33 O ATOM 0 H GLU A 23 5.123 0.007 -5.675 1.00 23.23 H new ATOM 0 HA GLU A 23 5.839 -2.438 -6.859 1.00 21.25 H new ATOM 0 HB2 GLU A 23 6.668 -1.181 -4.210 1.00 65.14 H new ATOM 0 HB3 GLU A 23 7.492 -2.528 -4.971 1.00 65.14 H new ATOM 0 HG2 GLU A 23 7.955 -1.075 -6.969 1.00 13.02 H new ATOM 0 HG3 GLU A 23 7.199 0.270 -6.139 1.00 13.02 H new ATOM 377 N LEU A 24 3.972 -2.746 -4.190 1.00 42.51 N ATOM 378 CA LEU A 24 3.152 -3.708 -3.441 1.00 1.14 C ATOM 379 C LEU A 24 2.100 -4.375 -4.338 1.00 13.51 C ATOM 380 O LEU A 24 1.794 -5.558 -4.175 1.00 73.11 O ATOM 381 CB LEU A 24 2.475 -3.023 -2.250 1.00 31.14 C ATOM 382 CG LEU A 24 3.437 -2.489 -1.182 1.00 64.54 C ATOM 383 CD1 LEU A 24 2.668 -1.874 -0.021 1.00 22.14 C ATOM 384 CD2 LEU A 24 4.366 -3.597 -0.692 1.00 61.44 C ATOM 0 H LEU A 24 3.787 -1.769 -3.962 1.00 42.51 H new ATOM 0 HA LEU A 24 3.817 -4.488 -3.071 1.00 1.14 H new ATOM 0 HB2 LEU A 24 1.871 -2.195 -2.621 1.00 31.14 H new ATOM 0 HB3 LEU A 24 1.792 -3.732 -1.782 1.00 31.14 H new ATOM 0 HG LEU A 24 4.048 -1.708 -1.633 1.00 64.54 H new ATOM 0 HD11 LEU A 24 3.371 -1.502 0.724 1.00 22.14 H new ATOM 0 HD12 LEU A 24 2.056 -1.049 -0.386 1.00 22.14 H new ATOM 0 HD13 LEU A 24 2.026 -2.630 0.431 1.00 22.14 H new ATOM 0 HD21 LEU A 24 5.041 -3.198 0.065 1.00 61.44 H new ATOM 0 HD22 LEU A 24 3.774 -4.404 -0.261 1.00 61.44 H new ATOM 0 HD23 LEU A 24 4.948 -3.981 -1.530 1.00 61.44 H new ATOM 396 N VAL A 25 1.547 -3.622 -5.283 1.00 64.40 N ATOM 397 CA VAL A 25 0.612 -4.186 -6.262 1.00 30.33 C ATOM 398 C VAL A 25 1.339 -5.162 -7.206 1.00 21.21 C ATOM 399 O VAL A 25 0.792 -6.192 -7.600 1.00 22.44 O ATOM 400 CB VAL A 25 -0.080 -3.075 -7.096 1.00 74.41 C ATOM 401 CG1 VAL A 25 -1.039 -3.675 -8.125 1.00 42.42 C ATOM 402 CG2 VAL A 25 -0.815 -2.092 -6.185 1.00 3.22 C ATOM 0 H VAL A 25 1.726 -2.624 -5.395 1.00 64.40 H new ATOM 0 HA VAL A 25 -0.154 -4.725 -5.705 1.00 30.33 H new ATOM 0 HB VAL A 25 0.695 -2.530 -7.635 1.00 74.41 H new ATOM 0 HG11 VAL A 25 -1.509 -2.874 -8.695 1.00 42.42 H new ATOM 0 HG12 VAL A 25 -0.485 -4.325 -8.802 1.00 42.42 H new ATOM 0 HG13 VAL A 25 -1.807 -4.255 -7.612 1.00 42.42 H new ATOM 0 HG21 VAL A 25 -1.293 -1.322 -6.791 1.00 3.22 H new ATOM 0 HG22 VAL A 25 -1.573 -2.625 -5.611 1.00 3.22 H new ATOM 0 HG23 VAL A 25 -0.104 -1.627 -5.502 1.00 3.22 H new ATOM 412 N GLU A 26 2.584 -4.829 -7.544 1.00 12.14 N ATOM 413 CA GLU A 26 3.418 -5.673 -8.410 1.00 73.14 C ATOM 414 C GLU A 26 3.724 -7.035 -7.756 1.00 33.25 C ATOM 415 O GLU A 26 3.735 -8.072 -8.426 1.00 11.12 O ATOM 416 CB GLU A 26 4.732 -4.942 -8.736 1.00 35.35 C ATOM 417 CG GLU A 26 4.546 -3.587 -9.418 1.00 4.43 C ATOM 418 CD GLU A 26 4.145 -3.694 -10.886 1.00 63.54 C ATOM 419 OE1 GLU A 26 3.007 -4.122 -11.175 1.00 23.14 O ATOM 420 OE2 GLU A 26 4.971 -3.335 -11.755 1.00 53.01 O ATOM 0 H GLU A 26 3.044 -3.974 -7.230 1.00 12.14 H new ATOM 0 HA GLU A 26 2.863 -5.863 -9.328 1.00 73.14 H new ATOM 0 HB2 GLU A 26 5.292 -4.797 -7.812 1.00 35.35 H new ATOM 0 HB3 GLU A 26 5.339 -5.579 -9.380 1.00 35.35 H new ATOM 0 HG2 GLU A 26 3.784 -3.021 -8.882 1.00 4.43 H new ATOM 0 HG3 GLU A 26 5.475 -3.021 -9.344 1.00 4.43 H new ATOM 427 N HIS A 27 3.981 -7.026 -6.446 1.00 33.30 N ATOM 428 CA HIS A 27 4.316 -8.258 -5.716 1.00 52.53 C ATOM 429 C HIS A 27 3.063 -8.942 -5.139 1.00 31.52 C ATOM 430 O HIS A 27 2.794 -10.107 -5.421 1.00 32.22 O ATOM 431 CB HIS A 27 5.308 -7.950 -4.585 1.00 15.24 C ATOM 432 CG HIS A 27 5.912 -9.173 -3.953 1.00 21.21 C ATOM 433 ND1 HIS A 27 5.190 -10.080 -3.197 1.00 21.53 N ATOM 434 CD2 HIS A 27 7.187 -9.636 -3.963 1.00 72.43 C ATOM 435 CE1 HIS A 27 5.994 -11.036 -2.772 1.00 32.43 C ATOM 436 NE2 HIS A 27 7.205 -10.789 -3.224 1.00 52.23 N ATOM 0 H HIS A 27 3.965 -6.185 -5.868 1.00 33.30 H new ATOM 0 HA HIS A 27 4.774 -8.945 -6.427 1.00 52.53 H new ATOM 0 HB2 HIS A 27 6.109 -7.323 -4.978 1.00 15.24 H new ATOM 0 HB3 HIS A 27 4.798 -7.370 -3.816 1.00 15.24 H new ATOM 0 HD2 HIS A 27 8.030 -9.181 -4.461 1.00 72.43 H new ATOM 0 HE1 HIS A 27 5.707 -11.877 -2.158 1.00 32.43 H new ATOM 0 HE2 HIS A 27 8.028 -11.366 -3.051 1.00 52.23 H new ATOM 445 N TYR A 28 2.311 -8.210 -4.318 1.00 73.05 N ATOM 446 CA TYR A 28 1.141 -8.767 -3.616 1.00 4.25 C ATOM 447 C TYR A 28 -0.138 -8.686 -4.462 1.00 72.04 C ATOM 448 O TYR A 28 -0.767 -9.700 -4.764 1.00 22.21 O ATOM 449 CB TYR A 28 0.910 -8.020 -2.292 1.00 23.04 C ATOM 450 CG TYR A 28 2.077 -8.079 -1.320 1.00 12.13 C ATOM 451 CD1 TYR A 28 3.117 -7.162 -1.399 1.00 23.14 C ATOM 452 CD2 TYR A 28 2.128 -9.038 -0.313 1.00 54.21 C ATOM 453 CE1 TYR A 28 4.175 -7.198 -0.508 1.00 52.25 C ATOM 454 CE2 TYR A 28 3.186 -9.081 0.580 1.00 42.01 C ATOM 455 CZ TYR A 28 4.205 -8.157 0.479 1.00 24.11 C ATOM 456 OH TYR A 28 5.254 -8.192 1.371 1.00 22.11 O ATOM 0 H TYR A 28 2.487 -7.225 -4.118 1.00 73.05 H new ATOM 0 HA TYR A 28 1.358 -9.818 -3.425 1.00 4.25 H new ATOM 0 HB2 TYR A 28 0.691 -6.975 -2.513 1.00 23.04 H new ATOM 0 HB3 TYR A 28 0.027 -8.435 -1.805 1.00 23.04 H new ATOM 0 HD1 TYR A 28 3.100 -6.406 -2.171 1.00 23.14 H new ATOM 0 HD2 TYR A 28 1.330 -9.760 -0.226 1.00 54.21 H new ATOM 0 HE1 TYR A 28 4.974 -6.476 -0.587 1.00 52.25 H new ATOM 0 HE2 TYR A 28 3.213 -9.835 1.353 1.00 42.01 H new ATOM 0 HH TYR A 28 5.121 -8.929 2.004 1.00 22.11 H new ATOM 466 N GLY A 29 -0.524 -7.469 -4.830 1.00 10.11 N ATOM 467 CA GLY A 29 -1.793 -7.258 -5.521 1.00 62.51 C ATOM 468 C GLY A 29 -2.904 -6.796 -4.575 1.00 24.34 C ATOM 469 O GLY A 29 -2.830 -7.021 -3.364 1.00 5.45 O ATOM 0 H GLY A 29 0.017 -6.620 -4.664 1.00 10.11 H new ATOM 0 HA2 GLY A 29 -1.656 -6.515 -6.307 1.00 62.51 H new ATOM 0 HA3 GLY A 29 -2.097 -8.185 -6.008 1.00 62.51 H new ATOM 473 N TRP A 30 -3.946 -6.176 -5.126 1.00 11.55 N ATOM 474 CA TRP A 30 -5.019 -5.576 -4.315 1.00 63.22 C ATOM 475 C TRP A 30 -5.723 -6.604 -3.414 1.00 64.34 C ATOM 476 O TRP A 30 -6.177 -6.270 -2.316 1.00 22.40 O ATOM 477 CB TRP A 30 -6.043 -4.890 -5.224 1.00 24.30 C ATOM 478 CG TRP A 30 -5.448 -3.781 -6.041 1.00 40.43 C ATOM 479 CD1 TRP A 30 -5.105 -3.825 -7.363 1.00 11.33 C ATOM 480 CD2 TRP A 30 -5.104 -2.469 -5.581 1.00 32.03 C ATOM 481 NE1 TRP A 30 -4.581 -2.620 -7.754 1.00 71.40 N ATOM 482 CE2 TRP A 30 -4.571 -1.770 -6.679 1.00 71.31 C ATOM 483 CE3 TRP A 30 -5.205 -1.813 -4.348 1.00 71.40 C ATOM 484 CZ2 TRP A 30 -4.132 -0.452 -6.579 1.00 53.43 C ATOM 485 CZ3 TRP A 30 -4.770 -0.507 -4.250 1.00 12.14 C ATOM 486 CH2 TRP A 30 -4.242 0.163 -5.361 1.00 61.13 C ATOM 0 H TRP A 30 -4.076 -6.073 -6.132 1.00 11.55 H new ATOM 0 HA TRP A 30 -4.552 -4.840 -3.661 1.00 63.22 H new ATOM 0 HB2 TRP A 30 -6.482 -5.631 -5.892 1.00 24.30 H new ATOM 0 HB3 TRP A 30 -6.853 -4.491 -4.614 1.00 24.30 H new ATOM 0 HD1 TRP A 30 -5.229 -4.684 -8.006 1.00 11.33 H new ATOM 0 HE1 TRP A 30 -4.252 -2.393 -8.692 1.00 71.40 H new ATOM 0 HE3 TRP A 30 -5.616 -2.321 -3.488 1.00 71.40 H new ATOM 0 HZ2 TRP A 30 -3.720 0.066 -7.432 1.00 53.43 H new ATOM 0 HZ3 TRP A 30 -4.838 0.006 -3.302 1.00 12.14 H new ATOM 0 HH2 TRP A 30 -3.915 1.187 -5.254 1.00 61.13 H new ATOM 497 N GLU A 31 -5.811 -7.852 -3.873 1.00 24.33 N ATOM 498 CA GLU A 31 -6.446 -8.919 -3.092 1.00 52.10 C ATOM 499 C GLU A 31 -5.699 -9.177 -1.774 1.00 24.04 C ATOM 500 O GLU A 31 -6.320 -9.332 -0.720 1.00 24.24 O ATOM 501 CB GLU A 31 -6.532 -10.215 -3.910 1.00 34.22 C ATOM 502 CG GLU A 31 -7.429 -10.109 -5.136 1.00 24.33 C ATOM 503 CD GLU A 31 -7.583 -11.439 -5.854 1.00 43.44 C ATOM 504 OE1 GLU A 31 -8.447 -12.242 -5.444 1.00 34.10 O ATOM 505 OE2 GLU A 31 -6.836 -11.691 -6.824 1.00 72.41 O ATOM 0 H GLU A 31 -5.452 -8.151 -4.780 1.00 24.33 H new ATOM 0 HA GLU A 31 -7.455 -8.586 -2.849 1.00 52.10 H new ATOM 0 HB2 GLU A 31 -5.529 -10.500 -4.228 1.00 34.22 H new ATOM 0 HB3 GLU A 31 -6.902 -11.015 -3.269 1.00 34.22 H new ATOM 0 HG2 GLU A 31 -8.411 -9.745 -4.834 1.00 24.33 H new ATOM 0 HG3 GLU A 31 -7.014 -9.373 -5.824 1.00 24.33 H new ATOM 512 N GLU A 32 -4.368 -9.218 -1.830 1.00 44.42 N ATOM 513 CA GLU A 32 -3.556 -9.431 -0.625 1.00 64.22 C ATOM 514 C GLU A 32 -3.457 -8.151 0.220 1.00 50.22 C ATOM 515 O GLU A 32 -3.473 -8.205 1.450 1.00 13.33 O ATOM 516 CB GLU A 32 -2.150 -9.942 -0.987 1.00 34.52 C ATOM 517 CG GLU A 32 -2.149 -11.294 -1.699 1.00 4.12 C ATOM 518 CD GLU A 32 -0.786 -11.978 -1.682 1.00 12.52 C ATOM 519 OE1 GLU A 32 -0.499 -12.710 -0.710 1.00 64.42 O ATOM 520 OE2 GLU A 32 0.003 -11.796 -2.634 1.00 41.42 O ATOM 0 H GLU A 32 -3.829 -9.108 -2.689 1.00 44.42 H new ATOM 0 HA GLU A 32 -4.057 -10.193 -0.028 1.00 64.22 H new ATOM 0 HB2 GLU A 32 -1.659 -9.206 -1.624 1.00 34.52 H new ATOM 0 HB3 GLU A 32 -1.557 -10.021 -0.076 1.00 34.52 H new ATOM 0 HG2 GLU A 32 -2.883 -11.947 -1.227 1.00 4.12 H new ATOM 0 HG3 GLU A 32 -2.466 -11.154 -2.733 1.00 4.12 H new ATOM 527 N LEU A 33 -3.362 -6.998 -0.442 1.00 23.21 N ATOM 528 CA LEU A 33 -3.323 -5.704 0.259 1.00 51.33 C ATOM 529 C LEU A 33 -4.587 -5.494 1.112 1.00 22.21 C ATOM 530 O LEU A 33 -4.500 -5.223 2.308 1.00 75.25 O ATOM 531 CB LEU A 33 -3.158 -4.554 -0.751 1.00 62.21 C ATOM 532 CG LEU A 33 -1.847 -4.573 -1.558 1.00 12.34 C ATOM 533 CD1 LEU A 33 -1.808 -3.419 -2.558 1.00 11.21 C ATOM 534 CD2 LEU A 33 -0.637 -4.522 -0.627 1.00 1.53 C ATOM 0 H LEU A 33 -3.311 -6.928 -1.458 1.00 23.21 H new ATOM 0 HA LEU A 33 -2.464 -5.709 0.930 1.00 51.33 H new ATOM 0 HB2 LEU A 33 -3.995 -4.581 -1.448 1.00 62.21 H new ATOM 0 HB3 LEU A 33 -3.221 -3.608 -0.213 1.00 62.21 H new ATOM 0 HG LEU A 33 -1.807 -5.508 -2.117 1.00 12.34 H new ATOM 0 HD11 LEU A 33 -0.873 -3.453 -3.117 1.00 11.21 H new ATOM 0 HD12 LEU A 33 -2.646 -3.508 -3.249 1.00 11.21 H new ATOM 0 HD13 LEU A 33 -1.877 -2.472 -2.023 1.00 11.21 H new ATOM 0 HD21 LEU A 33 0.278 -4.536 -1.219 1.00 1.53 H new ATOM 0 HD22 LEU A 33 -0.672 -3.608 -0.035 1.00 1.53 H new ATOM 0 HD23 LEU A 33 -0.653 -5.386 0.038 1.00 1.53 H new ATOM 546 N SER A 34 -5.759 -5.649 0.493 1.00 23.53 N ATOM 547 CA SER A 34 -7.042 -5.530 1.211 1.00 62.41 C ATOM 548 C SER A 34 -7.198 -6.642 2.261 1.00 12.32 C ATOM 549 O SER A 34 -7.894 -6.475 3.263 1.00 64.30 O ATOM 550 CB SER A 34 -8.225 -5.579 0.228 1.00 32.14 C ATOM 551 OG SER A 34 -8.281 -6.825 -0.453 1.00 14.22 O ATOM 0 H SER A 34 -5.853 -5.857 -0.501 1.00 23.53 H new ATOM 0 HA SER A 34 -7.042 -4.567 1.721 1.00 62.41 H new ATOM 0 HB2 SER A 34 -9.157 -5.416 0.769 1.00 32.14 H new ATOM 0 HB3 SER A 34 -8.132 -4.770 -0.497 1.00 32.14 H new ATOM 0 HG SER A 34 -7.608 -6.839 -1.165 1.00 14.22 H new ATOM 557 N TYR A 35 -6.548 -7.782 2.024 1.00 23.25 N ATOM 558 CA TYR A 35 -6.560 -8.899 2.976 1.00 73.24 C ATOM 559 C TYR A 35 -5.814 -8.543 4.272 1.00 42.02 C ATOM 560 O TYR A 35 -6.257 -8.880 5.369 1.00 34.52 O ATOM 561 CB TYR A 35 -5.935 -10.145 2.330 1.00 63.24 C ATOM 562 CG TYR A 35 -5.848 -11.354 3.250 1.00 33.22 C ATOM 563 CD1 TYR A 35 -6.959 -12.158 3.478 1.00 30.13 C ATOM 564 CD2 TYR A 35 -4.653 -11.693 3.879 1.00 34.30 C ATOM 565 CE1 TYR A 35 -6.886 -13.259 4.308 1.00 30.42 C ATOM 566 CE2 TYR A 35 -4.569 -12.795 4.709 1.00 34.22 C ATOM 567 CZ TYR A 35 -5.689 -13.575 4.920 1.00 41.13 C ATOM 568 OH TYR A 35 -5.612 -14.680 5.741 1.00 41.20 O ATOM 0 H TYR A 35 -6.004 -7.959 1.179 1.00 23.25 H new ATOM 0 HA TYR A 35 -7.598 -9.108 3.236 1.00 73.24 H new ATOM 0 HB2 TYR A 35 -6.519 -10.415 1.450 1.00 63.24 H new ATOM 0 HB3 TYR A 35 -4.932 -9.895 1.983 1.00 63.24 H new ATOM 0 HD1 TYR A 35 -7.896 -11.917 2.997 1.00 30.13 H new ATOM 0 HD2 TYR A 35 -3.776 -11.084 3.715 1.00 34.30 H new ATOM 0 HE1 TYR A 35 -7.760 -13.870 4.478 1.00 30.42 H new ATOM 0 HE2 TYR A 35 -3.634 -13.044 5.189 1.00 34.22 H new ATOM 0 HH TYR A 35 -4.701 -14.764 6.092 1.00 41.20 H new ATOM 578 N MET A 36 -4.681 -7.860 4.140 1.00 53.13 N ATOM 579 CA MET A 36 -3.864 -7.474 5.298 1.00 75.14 C ATOM 580 C MET A 36 -4.362 -6.174 5.959 1.00 31.35 C ATOM 581 O MET A 36 -4.419 -6.079 7.183 1.00 62.40 O ATOM 582 CB MET A 36 -2.394 -7.337 4.880 1.00 32.30 C ATOM 583 CG MET A 36 -1.729 -8.671 4.562 1.00 33.11 C ATOM 584 SD MET A 36 -0.033 -8.492 3.972 1.00 50.12 S ATOM 585 CE MET A 36 -0.312 -7.794 2.343 1.00 44.54 C ATOM 0 H MET A 36 -4.302 -7.559 3.242 1.00 53.13 H new ATOM 0 HA MET A 36 -3.957 -8.264 6.043 1.00 75.14 H new ATOM 0 HB2 MET A 36 -2.331 -6.690 4.005 1.00 32.30 H new ATOM 0 HB3 MET A 36 -1.841 -6.845 5.680 1.00 32.30 H new ATOM 0 HG2 MET A 36 -1.733 -9.295 5.456 1.00 33.11 H new ATOM 0 HG3 MET A 36 -2.317 -9.193 3.807 1.00 33.11 H new ATOM 0 HE1 MET A 36 0.613 -7.350 1.974 1.00 44.54 H new ATOM 0 HE2 MET A 36 -0.635 -8.580 1.661 1.00 44.54 H new ATOM 0 HE3 MET A 36 -1.084 -7.027 2.403 1.00 44.54 H new ATOM 595 N VAL A 37 -4.722 -5.177 5.152 1.00 11.30 N ATOM 596 CA VAL A 37 -5.219 -3.898 5.685 1.00 61.22 C ATOM 597 C VAL A 37 -6.700 -4.002 6.125 1.00 60.34 C ATOM 598 O VAL A 37 -7.231 -3.096 6.771 1.00 21.44 O ATOM 599 CB VAL A 37 -5.040 -2.754 4.646 1.00 50.43 C ATOM 600 CG1 VAL A 37 -5.482 -1.404 5.212 1.00 63.30 C ATOM 601 CG2 VAL A 37 -3.586 -2.684 4.174 1.00 40.33 C ATOM 0 H VAL A 37 -4.681 -5.224 4.134 1.00 11.30 H new ATOM 0 HA VAL A 37 -4.624 -3.661 6.567 1.00 61.22 H new ATOM 0 HB VAL A 37 -5.679 -2.980 3.792 1.00 50.43 H new ATOM 0 HG11 VAL A 37 -5.342 -0.630 4.458 1.00 63.30 H new ATOM 0 HG12 VAL A 37 -6.535 -1.453 5.491 1.00 63.30 H new ATOM 0 HG13 VAL A 37 -4.885 -1.165 6.092 1.00 63.30 H new ATOM 0 HG21 VAL A 37 -3.478 -1.879 3.448 1.00 40.33 H new ATOM 0 HG22 VAL A 37 -2.935 -2.493 5.027 1.00 40.33 H new ATOM 0 HG23 VAL A 37 -3.308 -3.631 3.710 1.00 40.33 H new ATOM 611 N ASN A 38 -7.352 -5.113 5.757 1.00 41.33 N ATOM 612 CA ASN A 38 -8.732 -5.432 6.192 1.00 50.00 C ATOM 613 C ASN A 38 -9.805 -4.605 5.453 1.00 54.35 C ATOM 614 O ASN A 38 -10.910 -5.093 5.210 1.00 61.33 O ATOM 615 CB ASN A 38 -8.896 -5.248 7.707 1.00 3.10 C ATOM 616 CG ASN A 38 -7.911 -6.070 8.520 1.00 33.31 C ATOM 617 OD1 ASN A 38 -7.505 -7.160 8.128 1.00 71.22 O ATOM 618 ND2 ASN A 38 -7.524 -5.552 9.666 1.00 5.12 N ATOM 0 H ASN A 38 -6.943 -5.822 5.148 1.00 41.33 H new ATOM 0 HA ASN A 38 -8.887 -6.480 5.934 1.00 50.00 H new ATOM 0 HB2 ASN A 38 -8.770 -4.194 7.954 1.00 3.10 H new ATOM 0 HB3 ASN A 38 -9.911 -5.523 7.992 1.00 3.10 H new ATOM 0 HD21 ASN A 38 -6.867 -6.059 10.259 1.00 5.12 H new ATOM 0 HD22 ASN A 38 -7.881 -4.643 9.962 1.00 5.12 H new ATOM 625 N ILE A 39 -9.482 -3.361 5.103 1.00 43.13 N ATOM 626 CA ILE A 39 -10.447 -2.455 4.470 1.00 60.31 C ATOM 627 C ILE A 39 -10.886 -2.939 3.076 1.00 32.12 C ATOM 628 O ILE A 39 -10.106 -3.524 2.319 1.00 23.13 O ATOM 629 CB ILE A 39 -9.877 -1.018 4.343 1.00 73.55 C ATOM 630 CG1 ILE A 39 -8.676 -0.995 3.380 1.00 21.12 C ATOM 631 CG2 ILE A 39 -9.480 -0.476 5.718 1.00 74.14 C ATOM 632 CD1 ILE A 39 -8.126 0.389 3.118 1.00 33.32 C ATOM 0 H ILE A 39 -8.558 -2.954 5.246 1.00 43.13 H new ATOM 0 HA ILE A 39 -11.318 -2.449 5.125 1.00 60.31 H new ATOM 0 HB ILE A 39 -10.654 -0.373 3.933 1.00 73.55 H new ATOM 0 HG12 ILE A 39 -7.882 -1.619 3.790 1.00 21.12 H new ATOM 0 HG13 ILE A 39 -8.975 -1.442 2.432 1.00 21.12 H new ATOM 0 HG21 ILE A 39 -9.082 0.533 5.610 1.00 74.14 H new ATOM 0 HG22 ILE A 39 -10.356 -0.453 6.367 1.00 74.14 H new ATOM 0 HG23 ILE A 39 -8.719 -1.121 6.158 1.00 74.14 H new ATOM 0 HD11 ILE A 39 -7.283 0.321 2.431 1.00 33.32 H new ATOM 0 HD12 ILE A 39 -8.904 1.012 2.677 1.00 33.32 H new ATOM 0 HD13 ILE A 39 -7.794 0.832 4.057 1.00 33.32 H new ATOM 644 N ASN A 40 -12.145 -2.668 2.742 1.00 21.50 N ATOM 645 CA ASN A 40 -12.712 -3.017 1.433 1.00 74.44 C ATOM 646 C ASN A 40 -12.576 -1.838 0.447 1.00 73.23 C ATOM 647 O ASN A 40 -12.916 -1.953 -0.729 1.00 71.12 O ATOM 648 CB ASN A 40 -14.188 -3.413 1.608 1.00 60.23 C ATOM 649 CG ASN A 40 -14.815 -3.968 0.339 1.00 42.33 C ATOM 650 OD1 ASN A 40 -14.743 -5.162 0.066 1.00 73.32 O ATOM 651 ND2 ASN A 40 -15.450 -3.115 -0.440 1.00 32.33 N ATOM 0 H ASN A 40 -12.803 -2.202 3.366 1.00 21.50 H new ATOM 0 HA ASN A 40 -12.162 -3.861 1.018 1.00 74.44 H new ATOM 0 HB2 ASN A 40 -14.266 -4.158 2.400 1.00 60.23 H new ATOM 0 HB3 ASN A 40 -14.755 -2.541 1.934 1.00 60.23 H new ATOM 0 HD21 ASN A 40 -15.898 -3.442 -1.296 1.00 32.33 H new ATOM 0 HD22 ASN A 40 -15.493 -2.128 -0.187 1.00 32.33 H new ATOM 658 N CYS A 41 -12.059 -0.709 0.936 1.00 0.13 N ATOM 659 CA CYS A 41 -11.898 0.506 0.118 1.00 15.54 C ATOM 660 C CYS A 41 -11.080 0.250 -1.162 1.00 52.43 C ATOM 661 O CYS A 41 -11.381 0.804 -2.216 1.00 31.21 O ATOM 662 CB CYS A 41 -11.236 1.615 0.945 1.00 1.44 C ATOM 663 SG CYS A 41 -12.149 2.054 2.447 1.00 70.32 S ATOM 0 H CYS A 41 -11.741 -0.606 1.900 1.00 0.13 H new ATOM 0 HA CYS A 41 -12.896 0.819 -0.190 1.00 15.54 H new ATOM 0 HB2 CYS A 41 -10.231 1.297 1.222 1.00 1.44 H new ATOM 0 HB3 CYS A 41 -11.129 2.504 0.323 1.00 1.44 H new ATOM 0 HG CYS A 41 -11.395 2.782 3.216 1.00 70.32 H new ATOM 669 N PHE A 42 -10.052 -0.600 -1.064 1.00 14.51 N ATOM 670 CA PHE A 42 -9.207 -0.938 -2.224 1.00 32.30 C ATOM 671 C PHE A 42 -10.002 -1.658 -3.326 1.00 4.01 C ATOM 672 O PHE A 42 -9.568 -1.729 -4.473 1.00 23.41 O ATOM 673 CB PHE A 42 -8.020 -1.820 -1.800 1.00 53.01 C ATOM 674 CG PHE A 42 -7.058 -1.154 -0.843 1.00 60.11 C ATOM 675 CD1 PHE A 42 -6.776 0.204 -0.939 1.00 13.32 C ATOM 676 CD2 PHE A 42 -6.421 -1.894 0.141 1.00 1.12 C ATOM 677 CE1 PHE A 42 -5.881 0.805 -0.074 1.00 15.20 C ATOM 678 CE2 PHE A 42 -5.527 -1.298 1.010 1.00 13.01 C ATOM 679 CZ PHE A 42 -5.256 0.052 0.903 1.00 22.23 C ATOM 0 H PHE A 42 -9.782 -1.067 -0.198 1.00 14.51 H new ATOM 0 HA PHE A 42 -8.837 0.005 -2.626 1.00 32.30 H new ATOM 0 HB2 PHE A 42 -8.405 -2.728 -1.336 1.00 53.01 H new ATOM 0 HB3 PHE A 42 -7.473 -2.125 -2.692 1.00 53.01 H new ATOM 0 HD1 PHE A 42 -7.263 0.797 -1.699 1.00 13.32 H new ATOM 0 HD2 PHE A 42 -6.626 -2.951 0.230 1.00 1.12 H new ATOM 0 HE1 PHE A 42 -5.670 1.861 -0.161 1.00 15.20 H new ATOM 0 HE2 PHE A 42 -5.040 -1.888 1.773 1.00 13.01 H new ATOM 0 HZ PHE A 42 -4.557 0.519 1.581 1.00 22.23 H new ATOM 689 N LYS A 43 -11.166 -2.195 -2.967 1.00 42.11 N ATOM 690 CA LYS A 43 -11.992 -2.955 -3.908 1.00 51.21 C ATOM 691 C LYS A 43 -12.903 -2.034 -4.741 1.00 15.40 C ATOM 692 O LYS A 43 -13.573 -2.486 -5.675 1.00 21.52 O ATOM 693 CB LYS A 43 -12.821 -4.000 -3.144 1.00 35.13 C ATOM 694 CG LYS A 43 -11.975 -4.935 -2.276 1.00 33.12 C ATOM 695 CD LYS A 43 -10.945 -5.717 -3.098 1.00 21.42 C ATOM 696 CE LYS A 43 -11.602 -6.758 -4.003 1.00 73.50 C ATOM 697 NZ LYS A 43 -12.306 -7.814 -3.226 1.00 62.21 N ATOM 0 H LYS A 43 -11.561 -2.119 -2.030 1.00 42.11 H new ATOM 0 HA LYS A 43 -11.330 -3.466 -4.607 1.00 51.21 H new ATOM 0 HB2 LYS A 43 -13.545 -3.486 -2.512 1.00 35.13 H new ATOM 0 HB3 LYS A 43 -13.388 -4.595 -3.859 1.00 35.13 H new ATOM 0 HG2 LYS A 43 -11.460 -4.352 -1.512 1.00 33.12 H new ATOM 0 HG3 LYS A 43 -12.629 -5.635 -1.756 1.00 33.12 H new ATOM 0 HD2 LYS A 43 -10.365 -5.023 -3.706 1.00 21.42 H new ATOM 0 HD3 LYS A 43 -10.245 -6.212 -2.425 1.00 21.42 H new ATOM 0 HE2 LYS A 43 -12.311 -6.264 -4.667 1.00 73.50 H new ATOM 0 HE3 LYS A 43 -10.843 -7.219 -4.634 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 -12.515 -8.621 -3.847 1.00 62.21 H new ATOM 0 HZ2 LYS A 43 -11.701 -8.129 -2.441 1.00 62.21 H new ATOM 0 HZ3 LYS A 43 -13.195 -7.431 -2.846 1.00 62.21 H new ATOM 711 N LYS A 44 -12.930 -0.745 -4.400 1.00 24.20 N ATOM 712 CA LYS A 44 -13.656 0.258 -5.189 1.00 50.03 C ATOM 713 C LYS A 44 -12.668 1.121 -5.985 1.00 2.54 C ATOM 714 O LYS A 44 -11.807 1.788 -5.406 1.00 60.02 O ATOM 715 CB LYS A 44 -14.517 1.153 -4.289 1.00 61.50 C ATOM 716 CG LYS A 44 -15.300 2.203 -5.075 1.00 10.35 C ATOM 717 CD LYS A 44 -16.132 3.112 -4.172 1.00 11.24 C ATOM 718 CE LYS A 44 -16.854 4.188 -4.978 1.00 4.22 C ATOM 719 NZ LYS A 44 -17.630 5.119 -4.112 1.00 11.32 N ATOM 0 H LYS A 44 -12.456 -0.367 -3.580 1.00 24.20 H new ATOM 0 HA LYS A 44 -14.314 -0.270 -5.879 1.00 50.03 H new ATOM 0 HB2 LYS A 44 -15.214 0.532 -3.727 1.00 61.50 H new ATOM 0 HB3 LYS A 44 -13.877 1.652 -3.562 1.00 61.50 H new ATOM 0 HG2 LYS A 44 -14.605 2.810 -5.655 1.00 10.35 H new ATOM 0 HG3 LYS A 44 -15.957 1.704 -5.787 1.00 10.35 H new ATOM 0 HD2 LYS A 44 -16.861 2.515 -3.625 1.00 11.24 H new ATOM 0 HD3 LYS A 44 -15.485 3.583 -3.432 1.00 11.24 H new ATOM 0 HE2 LYS A 44 -16.125 4.756 -5.556 1.00 4.22 H new ATOM 0 HE3 LYS A 44 -17.527 3.713 -5.692 1.00 4.22 H new ATOM 0 HZ1 LYS A 44 -18.102 5.832 -4.704 1.00 11.32 H new ATOM 0 HZ2 LYS A 44 -18.344 4.583 -3.579 1.00 11.32 H new ATOM 0 HZ3 LYS A 44 -16.986 5.593 -3.447 1.00 11.32 H new ATOM 733 N ASP A 45 -12.821 1.119 -7.310 1.00 53.11 N ATOM 734 CA ASP A 45 -11.858 1.754 -8.215 1.00 63.02 C ATOM 735 C ASP A 45 -10.428 1.242 -7.939 1.00 23.51 C ATOM 736 O ASP A 45 -9.549 2.010 -7.536 1.00 75.21 O ATOM 737 CB ASP A 45 -11.913 3.285 -8.090 1.00 53.22 C ATOM 738 CG ASP A 45 -13.319 3.840 -8.240 1.00 75.01 C ATOM 739 OD1 ASP A 45 -14.027 3.433 -9.181 1.00 13.53 O ATOM 740 OD2 ASP A 45 -13.721 4.689 -7.414 1.00 61.22 O ATOM 0 H ASP A 45 -13.610 0.681 -7.785 1.00 53.11 H new ATOM 0 HA ASP A 45 -12.130 1.485 -9.236 1.00 63.02 H new ATOM 0 HB2 ASP A 45 -11.513 3.580 -7.120 1.00 53.22 H new ATOM 0 HB3 ASP A 45 -11.269 3.730 -8.849 1.00 53.22 H new ATOM 745 N PRO A 46 -10.177 -0.071 -8.154 1.00 11.01 N ATOM 746 CA PRO A 46 -8.879 -0.696 -7.834 1.00 40.01 C ATOM 747 C PRO A 46 -7.710 -0.086 -8.627 1.00 62.31 C ATOM 748 O PRO A 46 -7.289 -0.608 -9.665 1.00 24.20 O ATOM 749 CB PRO A 46 -9.087 -2.180 -8.194 1.00 74.13 C ATOM 750 CG PRO A 46 -10.240 -2.186 -9.146 1.00 72.43 C ATOM 751 CD PRO A 46 -11.128 -1.045 -8.724 1.00 4.03 C ATOM 0 HA PRO A 46 -8.604 -0.542 -6.791 1.00 40.01 H new ATOM 0 HB2 PRO A 46 -8.194 -2.604 -8.652 1.00 74.13 H new ATOM 0 HB3 PRO A 46 -9.304 -2.775 -7.307 1.00 74.13 H new ATOM 0 HG2 PRO A 46 -9.899 -2.057 -10.173 1.00 72.43 H new ATOM 0 HG3 PRO A 46 -10.776 -3.134 -9.105 1.00 72.43 H new ATOM 0 HD2 PRO A 46 -11.675 -0.627 -9.569 1.00 4.03 H new ATOM 0 HD3 PRO A 46 -11.869 -1.362 -7.990 1.00 4.03 H new ATOM 759 N SER A 47 -7.215 1.047 -8.145 1.00 10.10 N ATOM 760 CA SER A 47 -6.104 1.758 -8.780 1.00 14.51 C ATOM 761 C SER A 47 -5.382 2.645 -7.760 1.00 72.43 C ATOM 762 O SER A 47 -5.956 3.021 -6.735 1.00 21.11 O ATOM 763 CB SER A 47 -6.605 2.609 -9.957 1.00 52.35 C ATOM 764 OG SER A 47 -7.160 1.797 -10.987 1.00 4.44 O ATOM 0 H SER A 47 -7.570 1.502 -7.304 1.00 10.10 H new ATOM 0 HA SER A 47 -5.401 1.017 -9.162 1.00 14.51 H new ATOM 0 HB2 SER A 47 -7.357 3.315 -9.603 1.00 52.35 H new ATOM 0 HB3 SER A 47 -5.780 3.197 -10.360 1.00 52.35 H new ATOM 0 HG SER A 47 -7.135 0.857 -10.711 1.00 4.44 H new ATOM 770 N ILE A 48 -4.127 2.976 -8.048 1.00 60.33 N ATOM 771 CA ILE A 48 -3.295 3.755 -7.124 1.00 32.33 C ATOM 772 C ILE A 48 -3.959 5.095 -6.741 1.00 30.43 C ATOM 773 O ILE A 48 -4.059 5.431 -5.564 1.00 34.30 O ATOM 774 CB ILE A 48 -1.893 4.026 -7.726 1.00 74.44 C ATOM 775 CG1 ILE A 48 -1.252 2.718 -8.235 1.00 2.33 C ATOM 776 CG2 ILE A 48 -0.988 4.703 -6.699 1.00 30.50 C ATOM 777 CD1 ILE A 48 -1.038 1.668 -7.164 1.00 53.01 C ATOM 0 H ILE A 48 -3.658 2.718 -8.916 1.00 60.33 H new ATOM 0 HA ILE A 48 -3.187 3.155 -6.221 1.00 32.33 H new ATOM 0 HB ILE A 48 -2.013 4.699 -8.575 1.00 74.44 H new ATOM 0 HG12 ILE A 48 -1.884 2.298 -9.017 1.00 2.33 H new ATOM 0 HG13 ILE A 48 -0.291 2.953 -8.694 1.00 2.33 H new ATOM 0 HG21 ILE A 48 -0.008 4.885 -7.141 1.00 30.50 H new ATOM 0 HG22 ILE A 48 -1.430 5.651 -6.394 1.00 30.50 H new ATOM 0 HG23 ILE A 48 -0.879 4.057 -5.828 1.00 30.50 H new ATOM 0 HD11 ILE A 48 -0.584 0.782 -7.608 1.00 53.01 H new ATOM 0 HD12 ILE A 48 -0.379 2.065 -6.392 1.00 53.01 H new ATOM 0 HD13 ILE A 48 -1.997 1.400 -6.720 1.00 53.01 H new ATOM 789 N LYS A 49 -4.425 5.841 -7.748 1.00 10.05 N ATOM 790 CA LYS A 49 -5.072 7.150 -7.539 1.00 42.01 C ATOM 791 C LYS A 49 -6.156 7.104 -6.440 1.00 62.12 C ATOM 792 O LYS A 49 -6.050 7.803 -5.427 1.00 24.35 O ATOM 793 CB LYS A 49 -5.688 7.635 -8.861 1.00 45.31 C ATOM 794 CG LYS A 49 -6.334 9.019 -8.794 1.00 63.51 C ATOM 795 CD LYS A 49 -5.308 10.129 -8.558 1.00 34.33 C ATOM 796 CE LYS A 49 -5.957 11.511 -8.575 1.00 11.14 C ATOM 797 NZ LYS A 49 -4.953 12.598 -8.417 1.00 71.42 N ATOM 0 H LYS A 49 -4.367 5.561 -8.727 1.00 10.05 H new ATOM 0 HA LYS A 49 -4.304 7.846 -7.203 1.00 42.01 H new ATOM 0 HB2 LYS A 49 -4.911 7.648 -9.625 1.00 45.31 H new ATOM 0 HB3 LYS A 49 -6.439 6.913 -9.183 1.00 45.31 H new ATOM 0 HG2 LYS A 49 -6.868 9.213 -9.724 1.00 63.51 H new ATOM 0 HG3 LYS A 49 -7.073 9.034 -7.993 1.00 63.51 H new ATOM 0 HD2 LYS A 49 -4.815 9.971 -7.599 1.00 34.33 H new ATOM 0 HD3 LYS A 49 -4.536 10.080 -9.326 1.00 34.33 H new ATOM 0 HE2 LYS A 49 -6.495 11.648 -9.513 1.00 11.14 H new ATOM 0 HE3 LYS A 49 -6.692 11.577 -7.773 1.00 11.14 H new ATOM 0 HZ1 LYS A 49 -5.434 13.520 -8.434 1.00 71.42 H new ATOM 0 HZ2 LYS A 49 -4.457 12.483 -7.510 1.00 71.42 H new ATOM 0 HZ3 LYS A 49 -4.266 12.552 -9.196 1.00 71.42 H new ATOM 811 N SER A 50 -7.190 6.283 -6.645 1.00 11.41 N ATOM 812 CA SER A 50 -8.285 6.143 -5.665 1.00 31.21 C ATOM 813 C SER A 50 -7.760 5.791 -4.265 1.00 13.25 C ATOM 814 O SER A 50 -8.219 6.344 -3.262 1.00 51.23 O ATOM 815 CB SER A 50 -9.283 5.063 -6.117 1.00 10.13 C ATOM 816 OG SER A 50 -10.339 4.905 -5.179 1.00 24.33 O ATOM 0 H SER A 50 -7.297 5.704 -7.478 1.00 11.41 H new ATOM 0 HA SER A 50 -8.787 7.109 -5.612 1.00 31.21 H new ATOM 0 HB2 SER A 50 -9.696 5.332 -7.089 1.00 10.13 H new ATOM 0 HB3 SER A 50 -8.762 4.114 -6.243 1.00 10.13 H new ATOM 0 HG SER A 50 -10.553 3.953 -5.085 1.00 24.33 H new ATOM 822 N SER A 51 -6.788 4.880 -4.212 1.00 64.53 N ATOM 823 CA SER A 51 -6.196 4.443 -2.939 1.00 71.04 C ATOM 824 C SER A 51 -5.485 5.595 -2.213 1.00 13.53 C ATOM 825 O SER A 51 -5.670 5.791 -1.011 1.00 32.41 O ATOM 826 CB SER A 51 -5.206 3.297 -3.180 1.00 21.43 C ATOM 827 OG SER A 51 -4.591 2.884 -1.968 1.00 55.43 O ATOM 0 H SER A 51 -6.391 4.427 -5.035 1.00 64.53 H new ATOM 0 HA SER A 51 -7.011 4.097 -2.303 1.00 71.04 H new ATOM 0 HB2 SER A 51 -5.726 2.453 -3.632 1.00 21.43 H new ATOM 0 HB3 SER A 51 -4.441 3.617 -3.888 1.00 21.43 H new ATOM 0 HG SER A 51 -5.110 2.155 -1.570 1.00 55.43 H new ATOM 833 N LEU A 52 -4.680 6.364 -2.951 1.00 74.33 N ATOM 834 CA LEU A 52 -3.955 7.512 -2.381 1.00 62.14 C ATOM 835 C LEU A 52 -4.915 8.497 -1.699 1.00 64.25 C ATOM 836 O LEU A 52 -4.624 9.031 -0.623 1.00 52.25 O ATOM 837 CB LEU A 52 -3.157 8.248 -3.470 1.00 75.32 C ATOM 838 CG LEU A 52 -2.084 7.413 -4.186 1.00 3.41 C ATOM 839 CD1 LEU A 52 -1.350 8.255 -5.225 1.00 74.14 C ATOM 840 CD2 LEU A 52 -1.104 6.810 -3.181 1.00 22.41 C ATOM 0 H LEU A 52 -4.511 6.215 -3.946 1.00 74.33 H new ATOM 0 HA LEU A 52 -3.267 7.120 -1.632 1.00 62.14 H new ATOM 0 HB2 LEU A 52 -3.857 8.624 -4.216 1.00 75.32 H new ATOM 0 HB3 LEU A 52 -2.675 9.115 -3.019 1.00 75.32 H new ATOM 0 HG LEU A 52 -2.581 6.593 -4.704 1.00 3.41 H new ATOM 0 HD11 LEU A 52 -0.595 7.645 -5.720 1.00 74.14 H new ATOM 0 HD12 LEU A 52 -2.062 8.622 -5.964 1.00 74.14 H new ATOM 0 HD13 LEU A 52 -0.868 9.100 -4.734 1.00 74.14 H new ATOM 0 HD21 LEU A 52 -0.354 6.223 -3.711 1.00 22.41 H new ATOM 0 HD22 LEU A 52 -0.614 7.610 -2.626 1.00 22.41 H new ATOM 0 HD23 LEU A 52 -1.644 6.166 -2.487 1.00 22.41 H new ATOM 852 N LYS A 53 -6.065 8.721 -2.329 1.00 33.31 N ATOM 853 CA LYS A 53 -7.079 9.637 -1.799 1.00 63.45 C ATOM 854 C LYS A 53 -7.690 9.114 -0.484 1.00 33.01 C ATOM 855 O LYS A 53 -8.335 9.861 0.254 1.00 64.43 O ATOM 856 CB LYS A 53 -8.186 9.860 -2.840 1.00 2.44 C ATOM 857 CG LYS A 53 -7.682 10.338 -4.205 1.00 11.45 C ATOM 858 CD LYS A 53 -6.915 11.665 -4.136 1.00 2.21 C ATOM 859 CE LYS A 53 -7.820 12.869 -3.867 1.00 54.44 C ATOM 860 NZ LYS A 53 -8.325 12.906 -2.467 1.00 32.31 N ATOM 0 H LYS A 53 -6.322 8.280 -3.212 1.00 33.31 H new ATOM 0 HA LYS A 53 -6.587 10.585 -1.583 1.00 63.45 H new ATOM 0 HB2 LYS A 53 -8.735 8.928 -2.975 1.00 2.44 H new ATOM 0 HB3 LYS A 53 -8.893 10.592 -2.450 1.00 2.44 H new ATOM 0 HG2 LYS A 53 -7.034 9.573 -4.634 1.00 11.45 H new ATOM 0 HG3 LYS A 53 -8.531 10.451 -4.879 1.00 11.45 H new ATOM 0 HD2 LYS A 53 -6.162 11.602 -3.351 1.00 2.21 H new ATOM 0 HD3 LYS A 53 -6.384 11.820 -5.075 1.00 2.21 H new ATOM 0 HE2 LYS A 53 -7.269 13.786 -4.075 1.00 54.44 H new ATOM 0 HE3 LYS A 53 -8.666 12.843 -4.554 1.00 54.44 H new ATOM 0 HZ1 LYS A 53 -8.268 13.878 -2.103 1.00 32.31 H new ATOM 0 HZ2 LYS A 53 -9.314 12.586 -2.446 1.00 32.31 H new ATOM 0 HZ3 LYS A 53 -7.746 12.279 -1.872 1.00 32.31 H new ATOM 874 N PHE A 54 -7.493 7.829 -0.204 1.00 41.35 N ATOM 875 CA PHE A 54 -7.944 7.229 1.058 1.00 51.13 C ATOM 876 C PHE A 54 -6.821 7.237 2.108 1.00 3.12 C ATOM 877 O PHE A 54 -7.017 7.676 3.243 1.00 14.24 O ATOM 878 CB PHE A 54 -8.427 5.788 0.824 1.00 63.30 C ATOM 879 CG PHE A 54 -8.859 5.084 2.088 1.00 1.33 C ATOM 880 CD1 PHE A 54 -10.153 5.220 2.564 1.00 64.02 C ATOM 881 CD2 PHE A 54 -7.965 4.295 2.805 1.00 45.53 C ATOM 882 CE1 PHE A 54 -10.550 4.586 3.725 1.00 44.21 C ATOM 883 CE2 PHE A 54 -8.358 3.661 3.967 1.00 11.31 C ATOM 884 CZ PHE A 54 -9.653 3.806 4.427 1.00 5.22 C ATOM 0 H PHE A 54 -7.023 7.178 -0.833 1.00 41.35 H new ATOM 0 HA PHE A 54 -8.773 7.828 1.435 1.00 51.13 H new ATOM 0 HB2 PHE A 54 -9.261 5.802 0.123 1.00 63.30 H new ATOM 0 HB3 PHE A 54 -7.626 5.217 0.355 1.00 63.30 H new ATOM 0 HD1 PHE A 54 -10.860 5.829 2.020 1.00 64.02 H new ATOM 0 HD2 PHE A 54 -6.952 4.177 2.449 1.00 45.53 H new ATOM 0 HE1 PHE A 54 -11.562 4.700 4.084 1.00 44.21 H new ATOM 0 HE2 PHE A 54 -7.654 3.053 4.516 1.00 11.31 H new ATOM 0 HZ PHE A 54 -9.963 3.310 5.335 1.00 5.22 H new ATOM 894 N LEU A 55 -5.646 6.752 1.716 1.00 13.14 N ATOM 895 CA LEU A 55 -4.508 6.607 2.637 1.00 24.24 C ATOM 896 C LEU A 55 -4.080 7.945 3.268 1.00 53.10 C ATOM 897 O LEU A 55 -3.519 7.967 4.364 1.00 25.12 O ATOM 898 CB LEU A 55 -3.323 5.959 1.909 1.00 22.14 C ATOM 899 CG LEU A 55 -3.599 4.559 1.331 1.00 34.01 C ATOM 900 CD1 LEU A 55 -2.370 4.022 0.608 1.00 51.42 C ATOM 901 CD2 LEU A 55 -4.051 3.596 2.428 1.00 72.04 C ATOM 0 H LEU A 55 -5.450 6.449 0.762 1.00 13.14 H new ATOM 0 HA LEU A 55 -4.835 5.963 3.453 1.00 24.24 H new ATOM 0 HB2 LEU A 55 -3.012 6.616 1.097 1.00 22.14 H new ATOM 0 HB3 LEU A 55 -2.484 5.890 2.602 1.00 22.14 H new ATOM 0 HG LEU A 55 -4.408 4.645 0.606 1.00 34.01 H new ATOM 0 HD11 LEU A 55 -2.587 3.032 0.207 1.00 51.42 H new ATOM 0 HD12 LEU A 55 -2.106 4.694 -0.209 1.00 51.42 H new ATOM 0 HD13 LEU A 55 -1.537 3.956 1.307 1.00 51.42 H new ATOM 0 HD21 LEU A 55 -4.240 2.614 1.995 1.00 72.04 H new ATOM 0 HD22 LEU A 55 -3.271 3.515 3.185 1.00 72.04 H new ATOM 0 HD23 LEU A 55 -4.965 3.972 2.888 1.00 72.04 H new ATOM 913 N ARG A 56 -4.335 9.058 2.578 1.00 40.24 N ATOM 914 CA ARG A 56 -4.015 10.387 3.119 1.00 74.25 C ATOM 915 C ARG A 56 -4.983 10.803 4.245 1.00 1.23 C ATOM 916 O ARG A 56 -4.551 11.279 5.298 1.00 31.31 O ATOM 917 CB ARG A 56 -4.025 11.441 2.005 1.00 43.03 C ATOM 918 CG ARG A 56 -2.859 11.321 1.028 1.00 11.41 C ATOM 919 CD ARG A 56 -2.855 12.459 0.012 1.00 33.15 C ATOM 920 NE ARG A 56 -1.661 12.443 -0.827 1.00 1.22 N ATOM 921 CZ ARG A 56 -1.383 13.346 -1.723 1.00 23.11 C ATOM 922 NH1 ARG A 56 -2.160 14.368 -1.893 1.00 3.52 N ATOM 923 NH2 ARG A 56 -0.306 13.237 -2.431 1.00 14.51 N ATOM 0 H ARG A 56 -4.759 9.070 1.650 1.00 40.24 H new ATOM 0 HA ARG A 56 -3.014 10.325 3.547 1.00 74.25 H new ATOM 0 HB2 ARG A 56 -4.960 11.360 1.451 1.00 43.03 H new ATOM 0 HB3 ARG A 56 -4.007 12.433 2.457 1.00 43.03 H new ATOM 0 HG2 ARG A 56 -1.919 11.323 1.581 1.00 11.41 H new ATOM 0 HG3 ARG A 56 -2.919 10.366 0.505 1.00 11.41 H new ATOM 0 HD2 ARG A 56 -3.741 12.385 -0.618 1.00 33.15 H new ATOM 0 HD3 ARG A 56 -2.916 13.413 0.536 1.00 33.15 H new ATOM 0 HE ARG A 56 -1.002 11.675 -0.704 1.00 1.22 H new ATOM 0 HH11 ARG A 56 -2.999 14.471 -1.322 1.00 3.52 H new ATOM 0 HH12 ARG A 56 -1.933 15.070 -2.598 1.00 3.52 H new ATOM 0 HH21 ARG A 56 0.322 12.446 -2.286 1.00 14.51 H new ATOM 0 HH22 ARG A 56 -0.084 13.942 -3.134 1.00 14.51 H new ATOM 937 N LYS A 57 -6.289 10.638 4.019 1.00 61.41 N ATOM 938 CA LYS A 57 -7.296 10.995 5.033 1.00 10.33 C ATOM 939 C LYS A 57 -7.284 10.001 6.205 1.00 34.41 C ATOM 940 O LYS A 57 -7.623 10.355 7.337 1.00 51.34 O ATOM 941 CB LYS A 57 -8.702 11.061 4.411 1.00 42.20 C ATOM 942 CG LYS A 57 -9.227 9.718 3.896 1.00 32.42 C ATOM 943 CD LYS A 57 -10.634 9.838 3.311 1.00 20.35 C ATOM 944 CE LYS A 57 -11.177 8.490 2.849 1.00 23.31 C ATOM 945 NZ LYS A 57 -12.537 8.613 2.264 1.00 61.22 N ATOM 0 H LYS A 57 -6.676 10.263 3.153 1.00 61.41 H new ATOM 0 HA LYS A 57 -7.037 11.981 5.418 1.00 10.33 H new ATOM 0 HB2 LYS A 57 -9.398 11.449 5.155 1.00 42.20 H new ATOM 0 HB3 LYS A 57 -8.688 11.773 3.586 1.00 42.20 H new ATOM 0 HG2 LYS A 57 -8.550 9.332 3.134 1.00 32.42 H new ATOM 0 HG3 LYS A 57 -9.234 8.995 4.712 1.00 32.42 H new ATOM 0 HD2 LYS A 57 -11.303 10.261 4.060 1.00 20.35 H new ATOM 0 HD3 LYS A 57 -10.619 10.531 2.469 1.00 20.35 H new ATOM 0 HE2 LYS A 57 -10.501 8.060 2.110 1.00 23.31 H new ATOM 0 HE3 LYS A 57 -11.206 7.801 3.693 1.00 23.31 H new ATOM 0 HZ1 LYS A 57 -12.871 7.676 1.962 1.00 61.22 H new ATOM 0 HZ2 LYS A 57 -13.188 8.999 2.977 1.00 61.22 H new ATOM 0 HZ3 LYS A 57 -12.505 9.250 1.443 1.00 61.22 H new ATOM 959 N THR A 58 -6.911 8.756 5.921 1.00 41.02 N ATOM 960 CA THR A 58 -6.807 7.712 6.948 1.00 42.51 C ATOM 961 C THR A 58 -5.352 7.222 7.067 1.00 45.50 C ATOM 962 O THR A 58 -4.978 6.176 6.526 1.00 11.21 O ATOM 963 CB THR A 58 -7.755 6.519 6.636 1.00 45.01 C ATOM 964 OG1 THR A 58 -9.117 6.975 6.547 1.00 13.10 O ATOM 965 CG2 THR A 58 -7.667 5.432 7.702 1.00 2.52 C ATOM 0 H THR A 58 -6.673 8.439 4.981 1.00 41.02 H new ATOM 0 HA THR A 58 -7.113 8.145 7.900 1.00 42.51 H new ATOM 0 HB THR A 58 -7.437 6.097 5.683 1.00 45.01 H new ATOM 0 HG1 THR A 58 -9.704 6.216 6.349 1.00 13.10 H new ATOM 0 HG21 THR A 58 -8.344 4.617 7.447 1.00 2.52 H new ATOM 0 HG22 THR A 58 -6.646 5.053 7.752 1.00 2.52 H new ATOM 0 HG23 THR A 58 -7.948 5.848 8.670 1.00 2.52 H new ATOM 973 N ASP A 59 -4.538 7.996 7.780 1.00 73.24 N ATOM 974 CA ASP A 59 -3.088 7.767 7.850 1.00 42.22 C ATOM 975 C ASP A 59 -2.729 6.438 8.549 1.00 11.43 C ATOM 976 O ASP A 59 -1.786 5.755 8.144 1.00 1.22 O ATOM 977 CB ASP A 59 -2.426 8.949 8.564 1.00 73.21 C ATOM 978 CG ASP A 59 -0.909 8.867 8.572 1.00 23.33 C ATOM 979 OD1 ASP A 59 -0.280 9.275 7.572 1.00 11.14 O ATOM 980 OD2 ASP A 59 -0.338 8.424 9.591 1.00 25.14 O ATOM 0 H ASP A 59 -4.858 8.797 8.325 1.00 73.24 H new ATOM 0 HA ASP A 59 -2.711 7.689 6.830 1.00 42.22 H new ATOM 0 HB2 ASP A 59 -2.731 9.876 8.079 1.00 73.21 H new ATOM 0 HB3 ASP A 59 -2.787 8.993 9.592 1.00 73.21 H new ATOM 985 N TRP A 60 -3.481 6.063 9.589 1.00 34.31 N ATOM 986 CA TRP A 60 -3.211 4.804 10.304 1.00 41.51 C ATOM 987 C TRP A 60 -3.319 3.586 9.368 1.00 22.53 C ATOM 988 O TRP A 60 -2.698 2.550 9.611 1.00 53.10 O ATOM 989 CB TRP A 60 -4.132 4.638 11.528 1.00 3.43 C ATOM 990 CG TRP A 60 -5.596 4.523 11.212 1.00 65.00 C ATOM 991 CD1 TRP A 60 -6.498 5.544 11.122 1.00 3.43 C ATOM 992 CD2 TRP A 60 -6.331 3.315 10.974 1.00 51.14 C ATOM 993 NE1 TRP A 60 -7.747 5.044 10.840 1.00 64.31 N ATOM 994 CE2 TRP A 60 -7.668 3.679 10.740 1.00 1.12 C ATOM 995 CE3 TRP A 60 -5.982 1.963 10.930 1.00 24.14 C ATOM 996 CZ2 TRP A 60 -8.660 2.738 10.471 1.00 63.55 C ATOM 997 CZ3 TRP A 60 -6.966 1.029 10.662 1.00 72.31 C ATOM 998 CH2 TRP A 60 -8.290 1.419 10.433 1.00 4.24 C ATOM 0 H TRP A 60 -4.269 6.600 9.952 1.00 34.31 H new ATOM 0 HA TRP A 60 -2.184 4.857 10.665 1.00 41.51 H new ATOM 0 HB2 TRP A 60 -3.824 3.749 12.077 1.00 3.43 H new ATOM 0 HB3 TRP A 60 -3.985 5.490 12.192 1.00 3.43 H new ATOM 0 HD1 TRP A 60 -6.265 6.590 11.253 1.00 3.43 H new ATOM 0 HE1 TRP A 60 -8.595 5.599 10.724 1.00 64.31 H new ATOM 0 HE3 TRP A 60 -4.962 1.653 11.102 1.00 24.14 H new ATOM 0 HZ2 TRP A 60 -9.683 3.037 10.299 1.00 63.55 H new ATOM 0 HZ3 TRP A 60 -6.708 -0.019 10.629 1.00 72.31 H new ATOM 0 HH2 TRP A 60 -9.035 0.666 10.222 1.00 4.24 H new ATOM 1009 N ALA A 61 -4.108 3.719 8.296 1.00 1.22 N ATOM 1010 CA ALA A 61 -4.187 2.686 7.255 1.00 61.54 C ATOM 1011 C ALA A 61 -2.943 2.733 6.354 1.00 22.20 C ATOM 1012 O ALA A 61 -2.396 1.693 5.976 1.00 2.44 O ATOM 1013 CB ALA A 61 -5.456 2.862 6.427 1.00 24.21 C ATOM 0 H ALA A 61 -4.701 4.531 8.126 1.00 1.22 H new ATOM 0 HA ALA A 61 -4.223 1.710 7.738 1.00 61.54 H new ATOM 0 HB1 ALA A 61 -5.500 2.089 5.660 1.00 24.21 H new ATOM 0 HB2 ALA A 61 -6.328 2.780 7.076 1.00 24.21 H new ATOM 0 HB3 ALA A 61 -5.448 3.844 5.953 1.00 24.21 H new ATOM 1019 N ARG A 62 -2.499 3.952 6.029 1.00 63.31 N ATOM 1020 CA ARG A 62 -1.267 4.163 5.255 1.00 15.40 C ATOM 1021 C ARG A 62 -0.076 3.423 5.886 1.00 14.14 C ATOM 1022 O ARG A 62 0.641 2.687 5.206 1.00 61.30 O ATOM 1023 CB ARG A 62 -0.951 5.668 5.176 1.00 21.14 C ATOM 1024 CG ARG A 62 0.474 5.978 4.722 1.00 43.32 C ATOM 1025 CD ARG A 62 0.874 7.417 5.035 1.00 3.50 C ATOM 1026 NE ARG A 62 2.328 7.572 5.056 1.00 11.23 N ATOM 1027 CZ ARG A 62 2.984 8.234 5.971 1.00 14.01 C ATOM 1028 NH1 ARG A 62 2.359 8.827 6.937 1.00 2.54 N ATOM 1029 NH2 ARG A 62 4.274 8.273 5.933 1.00 44.20 N ATOM 0 H ARG A 62 -2.977 4.814 6.291 1.00 63.31 H new ATOM 0 HA ARG A 62 -1.427 3.764 4.253 1.00 15.40 H new ATOM 0 HB2 ARG A 62 -1.652 6.141 4.488 1.00 21.14 H new ATOM 0 HB3 ARG A 62 -1.115 6.116 6.156 1.00 21.14 H new ATOM 0 HG2 ARG A 62 1.167 5.294 5.212 1.00 43.32 H new ATOM 0 HG3 ARG A 62 0.559 5.803 3.649 1.00 43.32 H new ATOM 0 HD2 ARG A 62 0.446 8.086 4.289 1.00 3.50 H new ATOM 0 HD3 ARG A 62 0.461 7.710 6.000 1.00 3.50 H new ATOM 0 HE ARG A 62 2.865 7.135 4.307 1.00 11.23 H new ATOM 0 HH11 ARG A 62 1.341 8.781 6.990 1.00 2.54 H new ATOM 0 HH12 ARG A 62 2.884 9.341 7.645 1.00 2.54 H new ATOM 0 HH21 ARG A 62 4.777 7.788 5.190 1.00 44.20 H new ATOM 0 HH22 ARG A 62 4.790 8.789 6.646 1.00 44.20 H new ATOM 1043 N GLU A 63 0.126 3.626 7.189 1.00 24.54 N ATOM 1044 CA GLU A 63 1.254 3.018 7.912 1.00 4.20 C ATOM 1045 C GLU A 63 1.294 1.493 7.742 1.00 75.31 C ATOM 1046 O GLU A 63 2.367 0.893 7.696 1.00 2.33 O ATOM 1047 CB GLU A 63 1.184 3.366 9.402 1.00 72.01 C ATOM 1048 CG GLU A 63 1.155 4.862 9.683 1.00 62.02 C ATOM 1049 CD GLU A 63 1.211 5.169 11.169 1.00 42.23 C ATOM 1050 OE1 GLU A 63 0.191 4.974 11.864 1.00 63.31 O ATOM 1051 OE2 GLU A 63 2.283 5.599 11.650 1.00 73.03 O ATOM 0 H GLU A 63 -0.477 4.208 7.770 1.00 24.54 H new ATOM 0 HA GLU A 63 2.167 3.428 7.481 1.00 4.20 H new ATOM 0 HB2 GLU A 63 0.293 2.908 9.831 1.00 72.01 H new ATOM 0 HB3 GLU A 63 2.043 2.927 9.909 1.00 72.01 H new ATOM 0 HG2 GLU A 63 1.998 5.340 9.183 1.00 62.02 H new ATOM 0 HG3 GLU A 63 0.247 5.292 9.259 1.00 62.02 H new ATOM 1058 N ARG A 64 0.118 0.870 7.653 1.00 72.14 N ATOM 1059 CA ARG A 64 0.031 -0.579 7.431 1.00 13.21 C ATOM 1060 C ARG A 64 0.511 -0.944 6.023 1.00 62.04 C ATOM 1061 O ARG A 64 1.248 -1.912 5.842 1.00 23.04 O ATOM 1062 CB ARG A 64 -1.404 -1.077 7.653 1.00 52.24 C ATOM 1063 CG ARG A 64 -1.918 -0.823 9.065 1.00 42.35 C ATOM 1064 CD ARG A 64 -3.290 -1.446 9.301 1.00 62.35 C ATOM 1065 NE ARG A 64 -3.786 -1.141 10.640 1.00 30.25 N ATOM 1066 CZ ARG A 64 -4.652 -1.857 11.301 1.00 61.12 C ATOM 1067 NH1 ARG A 64 -5.165 -2.934 10.788 1.00 12.41 N ATOM 1068 NH2 ARG A 64 -5.002 -1.490 12.491 1.00 13.11 N ATOM 0 H ARG A 64 -0.784 1.340 7.730 1.00 72.14 H new ATOM 0 HA ARG A 64 0.683 -1.070 8.154 1.00 13.21 H new ATOM 0 HB2 ARG A 64 -2.066 -0.587 6.939 1.00 52.24 H new ATOM 0 HB3 ARG A 64 -1.447 -2.146 7.445 1.00 52.24 H new ATOM 0 HG2 ARG A 64 -1.208 -1.228 9.786 1.00 42.35 H new ATOM 0 HG3 ARG A 64 -1.974 0.251 9.242 1.00 42.35 H new ATOM 0 HD2 ARG A 64 -3.994 -1.074 8.556 1.00 62.35 H new ATOM 0 HD3 ARG A 64 -3.229 -2.526 9.170 1.00 62.35 H new ATOM 0 HE ARG A 64 -3.427 -0.301 11.094 1.00 30.25 H new ATOM 0 HH11 ARG A 64 -4.892 -3.233 9.852 1.00 12.41 H new ATOM 0 HH12 ARG A 64 -5.841 -3.481 11.321 1.00 12.41 H new ATOM 0 HH21 ARG A 64 -4.601 -0.648 12.903 1.00 13.11 H new ATOM 0 HH22 ARG A 64 -5.679 -2.043 13.017 1.00 13.11 H new ATOM 1082 N VAL A 65 0.103 -0.153 5.032 1.00 52.21 N ATOM 1083 CA VAL A 65 0.567 -0.336 3.652 1.00 33.32 C ATOM 1084 C VAL A 65 2.097 -0.196 3.571 1.00 3.14 C ATOM 1085 O VAL A 65 2.786 -1.033 2.977 1.00 61.22 O ATOM 1086 CB VAL A 65 -0.101 0.691 2.702 1.00 61.31 C ATOM 1087 CG1 VAL A 65 0.375 0.507 1.261 1.00 32.31 C ATOM 1088 CG2 VAL A 65 -1.625 0.598 2.789 1.00 43.23 C ATOM 0 H VAL A 65 -0.548 0.622 5.156 1.00 52.21 H new ATOM 0 HA VAL A 65 0.284 -1.341 3.337 1.00 33.32 H new ATOM 0 HB VAL A 65 0.199 1.688 3.025 1.00 61.31 H new ATOM 0 HG11 VAL A 65 -0.112 1.242 0.620 1.00 32.31 H new ATOM 0 HG12 VAL A 65 1.455 0.644 1.214 1.00 32.31 H new ATOM 0 HG13 VAL A 65 0.121 -0.497 0.919 1.00 32.31 H new ATOM 0 HG21 VAL A 65 -2.073 1.327 2.114 1.00 43.23 H new ATOM 0 HG22 VAL A 65 -1.945 -0.404 2.504 1.00 43.23 H new ATOM 0 HG23 VAL A 65 -1.944 0.804 3.810 1.00 43.23 H new ATOM 1098 N GLU A 66 2.626 0.856 4.190 1.00 3.14 N ATOM 1099 CA GLU A 66 4.074 1.068 4.250 1.00 12.22 C ATOM 1100 C GLU A 66 4.764 -0.081 5.008 1.00 22.00 C ATOM 1101 O GLU A 66 5.840 -0.538 4.623 1.00 43.04 O ATOM 1102 CB GLU A 66 4.387 2.414 4.924 1.00 1.45 C ATOM 1103 CG GLU A 66 3.733 3.614 4.241 1.00 52.52 C ATOM 1104 CD GLU A 66 4.075 4.935 4.915 1.00 31.25 C ATOM 1105 OE1 GLU A 66 3.768 5.089 6.111 1.00 23.40 O ATOM 1106 OE2 GLU A 66 4.647 5.830 4.248 1.00 22.25 O ATOM 0 H GLU A 66 2.076 1.576 4.658 1.00 3.14 H new ATOM 0 HA GLU A 66 4.460 1.086 3.231 1.00 12.22 H new ATOM 0 HB2 GLU A 66 4.057 2.375 5.962 1.00 1.45 H new ATOM 0 HB3 GLU A 66 5.467 2.560 4.938 1.00 1.45 H new ATOM 0 HG2 GLU A 66 4.050 3.650 3.199 1.00 52.52 H new ATOM 0 HG3 GLU A 66 2.651 3.481 4.241 1.00 52.52 H new ATOM 1113 N ASN A 67 4.121 -0.553 6.080 1.00 71.24 N ATOM 1114 CA ASN A 67 4.627 -1.687 6.867 1.00 71.35 C ATOM 1115 C ASN A 67 4.764 -2.947 5.994 1.00 21.32 C ATOM 1116 O ASN A 67 5.751 -3.676 6.090 1.00 13.30 O ATOM 1117 CB ASN A 67 3.690 -1.965 8.051 1.00 13.43 C ATOM 1118 CG ASN A 67 4.210 -3.040 8.991 1.00 21.50 C ATOM 1119 OD1 ASN A 67 5.414 -3.215 9.158 1.00 2.22 O ATOM 1120 ND2 ASN A 67 3.307 -3.760 9.624 1.00 75.35 N ATOM 0 H ASN A 67 3.243 -0.166 6.426 1.00 71.24 H new ATOM 0 HA ASN A 67 5.615 -1.426 7.245 1.00 71.35 H new ATOM 0 HB2 ASN A 67 3.542 -1.042 8.612 1.00 13.43 H new ATOM 0 HB3 ASN A 67 2.714 -2.267 7.670 1.00 13.43 H new ATOM 0 HD21 ASN A 67 3.600 -4.488 10.275 1.00 75.35 H new ATOM 0 HD22 ASN A 67 2.314 -3.589 9.463 1.00 75.35 H new ATOM 1127 N ILE A 68 3.768 -3.185 5.140 1.00 55.22 N ATOM 1128 CA ILE A 68 3.802 -4.304 4.187 1.00 30.23 C ATOM 1129 C ILE A 68 5.035 -4.208 3.271 1.00 4.11 C ATOM 1130 O ILE A 68 5.692 -5.211 2.973 1.00 31.10 O ATOM 1131 CB ILE A 68 2.514 -4.332 3.318 1.00 72.25 C ATOM 1132 CG1 ILE A 68 1.270 -4.504 4.208 1.00 51.44 C ATOM 1133 CG2 ILE A 68 2.587 -5.438 2.265 1.00 60.10 C ATOM 1134 CD1 ILE A 68 -0.043 -4.385 3.463 1.00 72.41 C ATOM 0 H ILE A 68 2.922 -2.617 5.086 1.00 55.22 H new ATOM 0 HA ILE A 68 3.860 -5.226 4.766 1.00 30.23 H new ATOM 0 HB ILE A 68 2.434 -3.379 2.795 1.00 72.25 H new ATOM 0 HG12 ILE A 68 1.314 -5.480 4.691 1.00 51.44 H new ATOM 0 HG13 ILE A 68 1.296 -3.755 4.999 1.00 51.44 H new ATOM 0 HG21 ILE A 68 1.673 -5.436 1.671 1.00 60.10 H new ATOM 0 HG22 ILE A 68 3.444 -5.264 1.614 1.00 60.10 H new ATOM 0 HG23 ILE A 68 2.696 -6.404 2.759 1.00 60.10 H new ATOM 0 HD11 ILE A 68 -0.870 -4.518 4.160 1.00 72.41 H new ATOM 0 HD12 ILE A 68 -0.112 -3.400 3.002 1.00 72.41 H new ATOM 0 HD13 ILE A 68 -0.093 -5.151 2.690 1.00 72.41 H new ATOM 1146 N TYR A 69 5.345 -2.988 2.837 1.00 73.20 N ATOM 1147 CA TYR A 69 6.524 -2.728 2.003 1.00 54.10 C ATOM 1148 C TYR A 69 7.826 -2.967 2.786 1.00 21.33 C ATOM 1149 O TYR A 69 8.733 -3.649 2.304 1.00 11.31 O ATOM 1150 CB TYR A 69 6.475 -1.285 1.473 1.00 21.20 C ATOM 1151 CG TYR A 69 7.557 -0.945 0.458 1.00 15.24 C ATOM 1152 CD1 TYR A 69 7.414 -1.294 -0.881 1.00 62.32 C ATOM 1153 CD2 TYR A 69 8.712 -0.266 0.835 1.00 41.32 C ATOM 1154 CE1 TYR A 69 8.386 -0.979 -1.810 1.00 14.12 C ATOM 1155 CE2 TYR A 69 9.688 0.053 -0.090 1.00 32.24 C ATOM 1156 CZ TYR A 69 9.520 -0.305 -1.411 1.00 22.33 C ATOM 1157 OH TYR A 69 10.490 0.009 -2.337 1.00 4.32 O ATOM 0 H TYR A 69 4.794 -2.156 3.049 1.00 73.20 H new ATOM 0 HA TYR A 69 6.511 -3.422 1.163 1.00 54.10 H new ATOM 0 HB2 TYR A 69 5.500 -1.113 1.017 1.00 21.20 H new ATOM 0 HB3 TYR A 69 6.558 -0.599 2.316 1.00 21.20 H new ATOM 0 HD1 TYR A 69 6.527 -1.821 -1.200 1.00 62.32 H new ATOM 0 HD2 TYR A 69 8.848 0.017 1.868 1.00 41.32 H new ATOM 0 HE1 TYR A 69 8.258 -1.260 -2.845 1.00 14.12 H new ATOM 0 HE2 TYR A 69 10.578 0.580 0.220 1.00 32.24 H new ATOM 0 HH TYR A 69 10.069 0.388 -3.136 1.00 4.32 H new ATOM 1167 N LEU A 70 7.903 -2.413 3.996 1.00 45.24 N ATOM 1168 CA LEU A 70 9.093 -2.559 4.848 1.00 3.31 C ATOM 1169 C LEU A 70 9.382 -4.034 5.177 1.00 72.44 C ATOM 1170 O LEU A 70 10.533 -4.477 5.131 1.00 3.04 O ATOM 1171 CB LEU A 70 8.917 -1.757 6.148 1.00 65.24 C ATOM 1172 CG LEU A 70 8.666 -0.250 5.965 1.00 25.32 C ATOM 1173 CD1 LEU A 70 8.542 0.451 7.316 1.00 41.24 C ATOM 1174 CD2 LEU A 70 9.769 0.386 5.121 1.00 13.13 C ATOM 0 H LEU A 70 7.156 -1.857 4.413 1.00 45.24 H new ATOM 0 HA LEU A 70 9.945 -2.168 4.292 1.00 3.31 H new ATOM 0 HB2 LEU A 70 8.083 -2.182 6.707 1.00 65.24 H new ATOM 0 HB3 LEU A 70 9.810 -1.888 6.759 1.00 65.24 H new ATOM 0 HG LEU A 70 7.721 -0.128 5.435 1.00 25.32 H new ATOM 0 HD11 LEU A 70 8.365 1.515 7.159 1.00 41.24 H new ATOM 0 HD12 LEU A 70 7.709 0.023 7.873 1.00 41.24 H new ATOM 0 HD13 LEU A 70 9.464 0.316 7.882 1.00 41.24 H new ATOM 0 HD21 LEU A 70 9.570 1.451 5.005 1.00 13.13 H new ATOM 0 HD22 LEU A 70 10.731 0.248 5.615 1.00 13.13 H new ATOM 0 HD23 LEU A 70 9.794 -0.087 4.139 1.00 13.13 H new ATOM 1186 N LYS A 71 8.335 -4.789 5.509 1.00 4.40 N ATOM 1187 CA LYS A 71 8.476 -6.221 5.793 1.00 4.20 C ATOM 1188 C LYS A 71 8.981 -6.978 4.555 1.00 73.24 C ATOM 1189 O LYS A 71 9.826 -7.869 4.660 1.00 60.44 O ATOM 1190 CB LYS A 71 7.135 -6.809 6.271 1.00 53.13 C ATOM 1191 CG LYS A 71 7.232 -8.261 6.744 1.00 21.23 C ATOM 1192 CD LYS A 71 5.919 -8.761 7.346 1.00 41.03 C ATOM 1193 CE LYS A 71 4.819 -8.924 6.297 1.00 53.43 C ATOM 1194 NZ LYS A 71 5.106 -10.038 5.353 1.00 62.23 N ATOM 0 H LYS A 71 7.381 -4.436 5.588 1.00 4.40 H new ATOM 0 HA LYS A 71 9.212 -6.339 6.588 1.00 4.20 H new ATOM 0 HB2 LYS A 71 6.750 -6.196 7.086 1.00 53.13 H new ATOM 0 HB3 LYS A 71 6.412 -6.749 5.458 1.00 53.13 H new ATOM 0 HG2 LYS A 71 7.510 -8.897 5.904 1.00 21.23 H new ATOM 0 HG3 LYS A 71 8.026 -8.347 7.486 1.00 21.23 H new ATOM 0 HD2 LYS A 71 6.090 -9.718 7.840 1.00 41.03 H new ATOM 0 HD3 LYS A 71 5.585 -8.062 8.113 1.00 41.03 H new ATOM 0 HE2 LYS A 71 3.867 -9.108 6.796 1.00 53.43 H new ATOM 0 HE3 LYS A 71 4.711 -7.994 5.738 1.00 53.43 H new ATOM 0 HZ1 LYS A 71 4.266 -10.224 4.769 1.00 62.23 H new ATOM 0 HZ2 LYS A 71 5.903 -9.776 4.739 1.00 62.23 H new ATOM 0 HZ3 LYS A 71 5.350 -10.894 5.890 1.00 62.23 H new ATOM 1208 N LEU A 72 8.471 -6.598 3.384 1.00 25.03 N ATOM 1209 CA LEU A 72 8.880 -7.209 2.114 1.00 24.33 C ATOM 1210 C LEU A 72 10.381 -7.000 1.840 1.00 10.12 C ATOM 1211 O LEU A 72 11.104 -7.946 1.504 1.00 53.24 O ATOM 1212 CB LEU A 72 8.056 -6.613 0.960 1.00 51.33 C ATOM 1213 CG LEU A 72 8.379 -7.176 -0.438 1.00 2.13 C ATOM 1214 CD1 LEU A 72 8.033 -8.662 -0.514 1.00 11.35 C ATOM 1215 CD2 LEU A 72 7.646 -6.390 -1.527 1.00 2.31 C ATOM 0 H LEU A 72 7.769 -5.865 3.286 1.00 25.03 H new ATOM 0 HA LEU A 72 8.697 -8.281 2.186 1.00 24.33 H new ATOM 0 HB2 LEU A 72 6.999 -6.780 1.166 1.00 51.33 H new ATOM 0 HB3 LEU A 72 8.211 -5.534 0.944 1.00 51.33 H new ATOM 0 HG LEU A 72 9.450 -7.066 -0.608 1.00 2.13 H new ATOM 0 HD11 LEU A 72 8.268 -9.040 -1.509 1.00 11.35 H new ATOM 0 HD12 LEU A 72 8.613 -9.209 0.229 1.00 11.35 H new ATOM 0 HD13 LEU A 72 6.970 -8.799 -0.316 1.00 11.35 H new ATOM 0 HD21 LEU A 72 7.891 -6.807 -2.504 1.00 2.31 H new ATOM 0 HD22 LEU A 72 6.571 -6.457 -1.363 1.00 2.31 H new ATOM 0 HD23 LEU A 72 7.954 -5.345 -1.491 1.00 2.31 H new ATOM 1227 N GLN A 73 10.841 -5.758 1.989 1.00 64.34 N ATOM 1228 CA GLN A 73 12.238 -5.410 1.709 1.00 3.53 C ATOM 1229 C GLN A 73 13.194 -6.062 2.719 1.00 44.13 C ATOM 1230 O GLN A 73 14.228 -6.607 2.340 1.00 52.15 O ATOM 1231 CB GLN A 73 12.425 -3.885 1.711 1.00 5.42 C ATOM 1232 CG GLN A 73 11.441 -3.138 0.808 1.00 12.43 C ATOM 1233 CD GLN A 73 11.451 -3.627 -0.633 1.00 72.32 C ATOM 1234 OE1 GLN A 73 12.468 -4.072 -1.150 1.00 64.11 O ATOM 1235 NE2 GLN A 73 10.311 -3.561 -1.289 1.00 50.45 N ATOM 0 H GLN A 73 10.268 -4.974 2.302 1.00 64.34 H new ATOM 0 HA GLN A 73 12.481 -5.795 0.719 1.00 3.53 H new ATOM 0 HB2 GLN A 73 12.318 -3.517 2.731 1.00 5.42 H new ATOM 0 HB3 GLN A 73 13.442 -3.653 1.394 1.00 5.42 H new ATOM 0 HG2 GLN A 73 10.435 -3.245 1.213 1.00 12.43 H new ATOM 0 HG3 GLN A 73 11.680 -2.075 0.825 1.00 12.43 H new ATOM 0 HE21 GLN A 73 9.480 -3.185 -0.832 1.00 50.45 H new ATOM 0 HE22 GLN A 73 10.259 -3.886 -2.255 1.00 50.45 H new