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 HE2:sc= -1.92 K(o=-1.9,f=-3.1!) USER MOD Single : A 22 ASN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0223 K(o=0.022,f=-3.9) 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+ 170:sc= 0 (180deg=-0.034) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -179:sc= 0 (180deg=-0.000685) USER MOD Single : A 95 THR OG1 : rot 139:sc= 1.23 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 189 N LYS A 14 2.018 -16.917 9.475 1.00 63.21 N ATOM 190 CA LYS A 14 0.992 -16.517 8.514 1.00 20.31 C ATOM 191 C LYS A 14 1.502 -15.670 7.362 1.00 32.24 C ATOM 192 O LYS A 14 0.908 -15.630 6.291 1.00 24.20 O ATOM 193 CB LYS A 14 -0.147 -15.796 9.233 1.00 35.22 C ATOM 194 CG LYS A 14 -1.494 -16.414 8.836 1.00 43.44 C ATOM 195 CD LYS A 14 -2.663 -15.952 9.714 1.00 75.42 C ATOM 196 CE LYS A 14 -3.993 -16.538 9.217 1.00 3.25 C ATOM 197 NZ LYS A 14 -4.176 -17.966 9.547 1.00 13.01 N ATOM 0 HA LYS A 14 0.634 -17.442 8.062 1.00 20.31 H new ATOM 0 HB2 LYS A 14 -0.009 -15.867 10.312 1.00 35.22 H new ATOM 0 HB3 LYS A 14 -0.135 -14.736 8.979 1.00 35.22 H new ATOM 0 HG2 LYS A 14 -1.708 -16.161 7.798 1.00 43.44 H new ATOM 0 HG3 LYS A 14 -1.416 -17.500 8.890 1.00 43.44 H new ATOM 0 HD2 LYS A 14 -2.490 -16.258 10.746 1.00 75.42 H new ATOM 0 HD3 LYS A 14 -2.717 -14.863 9.709 1.00 75.42 H new ATOM 0 HE2 LYS A 14 -4.815 -15.967 9.649 1.00 3.25 H new ATOM 0 HE3 LYS A 14 -4.052 -16.414 8.136 1.00 3.25 H new ATOM 0 HZ1 LYS A 14 -5.093 -18.292 9.181 1.00 13.01 H new ATOM 0 HZ2 LYS A 14 -3.412 -18.523 9.113 1.00 13.01 H new ATOM 0 HZ3 LYS A 14 -4.151 -18.090 10.579 1.00 13.01 H new ATOM 207 N PHE A 15 2.605 -14.977 7.589 1.00 21.42 N ATOM 208 CA PHE A 15 3.244 -14.119 6.617 1.00 1.30 C ATOM 209 C PHE A 15 4.538 -14.741 6.092 1.00 22.44 C ATOM 210 O PHE A 15 5.071 -14.292 5.078 1.00 63.32 O ATOM 211 CB PHE A 15 3.511 -12.812 7.340 1.00 25.42 C ATOM 212 CG PHE A 15 2.315 -12.088 7.934 1.00 33.14 C ATOM 213 CD1 PHE A 15 1.109 -11.975 7.224 1.00 3.23 C ATOM 214 CD2 PHE A 15 2.407 -11.536 9.224 1.00 4.01 C ATOM 215 CE1 PHE A 15 0.001 -11.341 7.803 1.00 21.30 C ATOM 216 CE2 PHE A 15 1.314 -10.866 9.787 1.00 53.13 C ATOM 217 CZ PHE A 15 0.100 -10.792 9.089 1.00 71.12 C ATOM 0 H PHE A 15 3.093 -15.000 8.485 1.00 21.42 H new ATOM 0 HA PHE A 15 2.613 -13.968 5.741 1.00 1.30 H new ATOM 0 HB2 PHE A 15 4.219 -13.010 8.145 1.00 25.42 H new ATOM 0 HB3 PHE A 15 4.003 -12.135 6.642 1.00 25.42 H new ATOM 0 HD1 PHE A 15 1.035 -12.379 6.225 1.00 3.23 H new ATOM 0 HD2 PHE A 15 3.326 -11.629 9.784 1.00 4.01 H new ATOM 0 HE1 PHE A 15 -0.929 -11.275 7.258 1.00 21.30 H new ATOM 0 HE2 PHE A 15 1.406 -10.406 10.760 1.00 53.13 H new ATOM 0 HZ PHE A 15 -0.756 -10.313 9.541 1.00 71.12 H new ATOM 226 N ALA A 16 5.024 -15.811 6.731 1.00 5.45 N ATOM 227 CA ALA A 16 6.041 -16.696 6.176 1.00 44.44 C ATOM 228 C ALA A 16 5.512 -17.448 4.954 1.00 64.23 C ATOM 229 O ALA A 16 6.305 -18.036 4.214 1.00 11.31 O ATOM 230 CB ALA A 16 6.465 -17.727 7.227 1.00 73.22 C ATOM 0 H ALA A 16 4.713 -16.086 7.663 1.00 5.45 H new ATOM 0 HA ALA A 16 6.889 -16.079 5.880 1.00 44.44 H new ATOM 0 HB1 ALA A 16 7.225 -18.385 6.805 1.00 73.22 H new ATOM 0 HB2 ALA A 16 6.872 -17.213 8.097 1.00 73.22 H new ATOM 0 HB3 ALA A 16 5.600 -18.318 7.527 1.00 73.22 H new ATOM 236 N HIS A 17 4.188 -17.522 4.780 1.00 71.12 N ATOM 237 CA HIS A 17 3.550 -18.445 3.854 1.00 25.41 C ATOM 238 C HIS A 17 2.826 -17.745 2.703 1.00 31.45 C ATOM 239 O HIS A 17 2.012 -18.372 2.021 1.00 54.42 O ATOM 240 CB HIS A 17 2.716 -19.467 4.622 1.00 72.11 C ATOM 241 CG HIS A 17 1.383 -19.050 5.151 1.00 31.40 C ATOM 242 ND1 HIS A 17 0.303 -18.587 4.436 1.00 13.33 N ATOM 243 CD2 HIS A 17 0.991 -19.270 6.437 1.00 22.44 C ATOM 244 CE1 HIS A 17 -0.733 -18.515 5.286 1.00 34.40 C ATOM 245 NE2 HIS A 17 -0.372 -18.963 6.504 1.00 62.41 N ATOM 0 H HIS A 17 3.528 -16.933 5.287 1.00 71.12 H new ATOM 0 HA HIS A 17 4.326 -19.009 3.337 1.00 25.41 H new ATOM 0 HB2 HIS A 17 2.559 -20.325 3.968 1.00 72.11 H new ATOM 0 HB3 HIS A 17 3.313 -19.814 5.465 1.00 72.11 H new ATOM 0 HD1 HIS A 17 0.292 -18.344 3.445 1.00 13.33 H new ATOM 0 HD2 HIS A 17 1.613 -19.615 7.249 1.00 22.44 H new ATOM 0 HE1 HIS A 17 -1.717 -18.150 5.030 1.00 34.40 H new ATOM 252 N ASP A 18 3.140 -16.467 2.469 1.00 15.44 N ATOM 253 CA ASP A 18 2.426 -15.573 1.550 1.00 54.21 C ATOM 254 C ASP A 18 0.939 -15.563 1.935 1.00 52.32 C ATOM 255 O ASP A 18 0.610 -15.769 3.104 1.00 43.22 O ATOM 256 CB ASP A 18 2.671 -15.916 0.059 1.00 34.23 C ATOM 257 CG ASP A 18 4.142 -16.008 -0.371 1.00 61.44 C ATOM 258 OD1 ASP A 18 4.965 -15.119 -0.051 1.00 52.32 O ATOM 259 OD2 ASP A 18 4.466 -16.977 -1.094 1.00 71.21 O ATOM 0 H ASP A 18 3.926 -16.010 2.930 1.00 15.44 H new ATOM 0 HA ASP A 18 2.822 -14.563 1.655 1.00 54.21 H new ATOM 0 HB2 ASP A 18 2.188 -16.868 -0.160 1.00 34.23 H new ATOM 0 HB3 ASP A 18 2.179 -15.161 -0.554 1.00 34.23 H new ATOM 263 N ALA A 19 0.037 -15.273 0.991 1.00 74.35 N ATOM 264 CA ALA A 19 -1.418 -15.254 1.139 1.00 72.33 C ATOM 265 C ALA A 19 -1.886 -14.155 2.086 1.00 52.03 C ATOM 266 O ALA A 19 -2.414 -13.153 1.612 1.00 42.24 O ATOM 267 CB ALA A 19 -1.978 -16.641 1.494 1.00 11.42 C ATOM 0 H ALA A 19 0.325 -15.030 0.043 1.00 74.35 H new ATOM 0 HA ALA A 19 -1.838 -15.002 0.165 1.00 72.33 H new ATOM 0 HB1 ALA A 19 -3.062 -16.581 1.594 1.00 11.42 H new ATOM 0 HB2 ALA A 19 -1.725 -17.348 0.704 1.00 11.42 H new ATOM 0 HB3 ALA A 19 -1.544 -16.978 2.435 1.00 11.42 H new ATOM 273 N GLU A 20 -1.696 -14.305 3.392 1.00 41.42 N ATOM 274 CA GLU A 20 -2.131 -13.326 4.385 1.00 71.13 C ATOM 275 C GLU A 20 -1.360 -12.017 4.167 1.00 13.13 C ATOM 276 O GLU A 20 -1.904 -10.916 4.261 1.00 42.02 O ATOM 277 CB GLU A 20 -1.875 -13.891 5.792 1.00 63.11 C ATOM 278 CG GLU A 20 -2.827 -13.313 6.851 1.00 73.25 C ATOM 279 CD GLU A 20 -4.142 -14.090 6.986 1.00 11.20 C ATOM 280 OE1 GLU A 20 -4.487 -14.886 6.087 1.00 65.45 O ATOM 281 OE2 GLU A 20 -4.778 -13.995 8.061 1.00 52.21 O ATOM 0 H GLU A 20 -1.231 -15.118 3.797 1.00 41.42 H new ATOM 0 HA GLU A 20 -3.197 -13.122 4.282 1.00 71.13 H new ATOM 0 HB2 GLU A 20 -1.982 -14.975 5.768 1.00 63.11 H new ATOM 0 HB3 GLU A 20 -0.846 -13.679 6.081 1.00 63.11 H new ATOM 0 HG2 GLU A 20 -2.320 -13.303 7.816 1.00 73.25 H new ATOM 0 HG3 GLU A 20 -3.052 -12.277 6.598 1.00 73.25 H new ATOM 286 N LEU A 21 -0.073 -12.140 3.819 1.00 32.51 N ATOM 287 CA LEU A 21 0.826 -11.005 3.647 1.00 45.35 C ATOM 288 C LEU A 21 0.393 -10.107 2.486 1.00 11.04 C ATOM 289 O LEU A 21 0.570 -8.892 2.573 1.00 2.10 O ATOM 290 CB LEU A 21 2.264 -11.521 3.494 1.00 4.25 C ATOM 291 CG LEU A 21 3.313 -10.389 3.428 1.00 74.25 C ATOM 292 CD1 LEU A 21 4.580 -10.753 4.203 1.00 61.15 C ATOM 293 CD2 LEU A 21 3.712 -10.090 1.989 1.00 41.32 C ATOM 0 H LEU A 21 0.372 -13.042 3.649 1.00 32.51 H new ATOM 0 HA LEU A 21 0.782 -10.373 4.534 1.00 45.35 H new ATOM 0 HB2 LEU A 21 2.499 -12.177 4.332 1.00 4.25 H new ATOM 0 HB3 LEU A 21 2.332 -12.124 2.589 1.00 4.25 H new ATOM 0 HG LEU A 21 2.847 -9.511 3.876 1.00 74.25 H new ATOM 0 HD11 LEU A 21 5.296 -9.934 4.135 1.00 61.15 H new ATOM 0 HD12 LEU A 21 4.329 -10.929 5.249 1.00 61.15 H new ATOM 0 HD13 LEU A 21 5.020 -11.655 3.778 1.00 61.15 H new ATOM 0 HD21 LEU A 21 4.451 -9.289 1.975 1.00 41.32 H new ATOM 0 HD22 LEU A 21 4.138 -10.985 1.536 1.00 41.32 H new ATOM 0 HD23 LEU A 21 2.832 -9.781 1.424 1.00 41.32 H new ATOM 304 N ASN A 22 -0.226 -10.674 1.440 1.00 14.03 N ATOM 305 CA ASN A 22 -0.780 -9.903 0.323 1.00 52.52 C ATOM 306 C ASN A 22 -1.715 -8.831 0.857 1.00 54.42 C ATOM 307 O ASN A 22 -1.586 -7.658 0.514 1.00 32.43 O ATOM 308 CB ASN A 22 -1.596 -10.776 -0.649 1.00 1.51 C ATOM 309 CG ASN A 22 -0.757 -11.702 -1.498 1.00 52.02 C ATOM 310 OD1 ASN A 22 -0.018 -11.273 -2.373 1.00 45.24 O ATOM 311 ND2 ASN A 22 -0.874 -12.995 -1.281 1.00 51.21 N ATOM 0 H ASN A 22 -0.355 -11.681 1.347 1.00 14.03 H new ATOM 0 HA ASN A 22 0.069 -9.475 -0.211 1.00 52.52 H new ATOM 0 HB2 ASN A 22 -2.308 -11.370 -0.076 1.00 1.51 H new ATOM 0 HB3 ASN A 22 -2.177 -10.126 -1.304 1.00 1.51 H new ATOM 0 HD21 ASN A 22 -0.343 -13.657 -1.847 1.00 51.21 H new ATOM 0 HD22 ASN A 22 -1.495 -13.335 -0.547 1.00 51.21 H new ATOM 317 N PHE A 23 -2.650 -9.256 1.708 1.00 24.31 N ATOM 318 CA PHE A 23 -3.774 -8.463 2.169 1.00 42.22 C ATOM 319 C PHE A 23 -3.246 -7.257 2.946 1.00 41.41 C ATOM 320 O PHE A 23 -3.587 -6.106 2.662 1.00 44.44 O ATOM 321 CB PHE A 23 -4.685 -9.371 3.014 1.00 3.43 C ATOM 322 CG PHE A 23 -6.163 -9.076 2.871 1.00 60.41 C ATOM 323 CD1 PHE A 23 -6.888 -9.645 1.805 1.00 62.31 C ATOM 324 CD2 PHE A 23 -6.825 -8.271 3.816 1.00 73.31 C ATOM 325 CE1 PHE A 23 -8.269 -9.415 1.690 1.00 5.00 C ATOM 326 CE2 PHE A 23 -8.207 -8.040 3.696 1.00 41.43 C ATOM 327 CZ PHE A 23 -8.930 -8.612 2.635 1.00 44.11 C ATOM 0 H PHE A 23 -2.639 -10.196 2.105 1.00 24.31 H new ATOM 0 HA PHE A 23 -4.366 -8.074 1.341 1.00 42.22 H new ATOM 0 HB2 PHE A 23 -4.505 -10.409 2.734 1.00 3.43 H new ATOM 0 HB3 PHE A 23 -4.406 -9.271 4.063 1.00 3.43 H new ATOM 0 HD1 PHE A 23 -6.381 -10.259 1.075 1.00 62.31 H new ATOM 0 HD2 PHE A 23 -6.272 -7.831 4.633 1.00 73.31 H new ATOM 0 HE1 PHE A 23 -8.823 -9.856 0.875 1.00 5.00 H new ATOM 0 HE2 PHE A 23 -8.714 -7.421 4.421 1.00 41.43 H new ATOM 0 HZ PHE A 23 -9.992 -8.435 2.546 1.00 44.11 H new ATOM 336 N LYS A 24 -2.340 -7.517 3.894 1.00 65.33 N ATOM 337 CA LYS A 24 -1.694 -6.484 4.686 1.00 73.23 C ATOM 338 C LYS A 24 -0.924 -5.509 3.795 1.00 32.44 C ATOM 339 O LYS A 24 -1.122 -4.296 3.910 1.00 20.11 O ATOM 340 CB LYS A 24 -0.733 -7.129 5.688 1.00 2.41 C ATOM 341 CG LYS A 24 -1.325 -8.168 6.655 1.00 73.54 C ATOM 342 CD LYS A 24 -1.413 -7.657 8.099 1.00 11.01 C ATOM 343 CE LYS A 24 0.004 -7.434 8.648 1.00 44.43 C ATOM 344 NZ LYS A 24 0.029 -6.959 10.042 1.00 52.23 N ATOM 0 H LYS A 24 -2.037 -8.462 4.130 1.00 65.33 H new ATOM 0 HA LYS A 24 -2.466 -5.928 5.218 1.00 73.23 H new ATOM 0 HB2 LYS A 24 0.070 -7.607 5.127 1.00 2.41 H new ATOM 0 HB3 LYS A 24 -0.279 -6.335 6.281 1.00 2.41 H new ATOM 0 HG2 LYS A 24 -2.321 -8.449 6.313 1.00 73.54 H new ATOM 0 HG3 LYS A 24 -0.713 -9.070 6.631 1.00 73.54 H new ATOM 0 HD2 LYS A 24 -1.979 -6.726 8.133 1.00 11.01 H new ATOM 0 HD3 LYS A 24 -1.946 -8.377 8.720 1.00 11.01 H new ATOM 0 HE2 LYS A 24 0.561 -8.368 8.581 1.00 44.43 H new ATOM 0 HE3 LYS A 24 0.519 -6.710 8.017 1.00 44.43 H new ATOM 0 HZ1 LYS A 24 1.015 -6.830 10.347 1.00 52.23 H new ATOM 0 HZ2 LYS A 24 -0.476 -6.052 10.109 1.00 52.23 H new ATOM 0 HZ3 LYS A 24 -0.435 -7.659 10.656 1.00 52.23 H new ATOM 354 N ALA A 25 -0.028 -6.026 2.944 1.00 24.42 N ATOM 355 CA ALA A 25 0.919 -5.228 2.173 1.00 55.04 C ATOM 356 C ALA A 25 0.190 -4.308 1.197 1.00 31.21 C ATOM 357 O ALA A 25 0.587 -3.158 1.011 1.00 65.43 O ATOM 358 CB ALA A 25 1.883 -6.148 1.415 1.00 60.11 C ATOM 0 H ALA A 25 0.056 -7.028 2.773 1.00 24.42 H new ATOM 0 HA ALA A 25 1.488 -4.606 2.864 1.00 55.04 H new ATOM 0 HB1 ALA A 25 2.587 -5.545 0.842 1.00 60.11 H new ATOM 0 HB2 ALA A 25 2.431 -6.767 2.126 1.00 60.11 H new ATOM 0 HB3 ALA A 25 1.318 -6.788 0.737 1.00 60.11 H new ATOM 364 N GLU A 26 -0.887 -4.790 0.578 1.00 21.23 N ATOM 365 CA GLU A 26 -1.751 -4.013 -0.302 1.00 25.22 C ATOM 366 C GLU A 26 -2.298 -2.788 0.433 1.00 40.33 C ATOM 367 O GLU A 26 -2.102 -1.644 0.001 1.00 53.01 O ATOM 368 CB GLU A 26 -2.861 -4.938 -0.832 1.00 62.22 C ATOM 369 CG GLU A 26 -2.348 -5.619 -2.106 1.00 4.12 C ATOM 370 CD GLU A 26 -3.278 -6.675 -2.701 1.00 4.11 C ATOM 371 OE1 GLU A 26 -4.376 -6.931 -2.156 1.00 51.42 O ATOM 372 OE2 GLU A 26 -2.874 -7.262 -3.733 1.00 53.31 O ATOM 0 H GLU A 26 -1.189 -5.759 0.679 1.00 21.23 H new ATOM 0 HA GLU A 26 -1.191 -3.629 -1.155 1.00 25.22 H new ATOM 0 HB2 GLU A 26 -3.125 -5.684 -0.082 1.00 62.22 H new ATOM 0 HB3 GLU A 26 -3.764 -4.366 -1.044 1.00 62.22 H new ATOM 0 HG2 GLU A 26 -2.166 -4.853 -2.860 1.00 4.12 H new ATOM 0 HG3 GLU A 26 -1.388 -6.086 -1.887 1.00 4.12 H new ATOM 377 N ALA A 27 -2.875 -3.003 1.612 1.00 63.42 N ATOM 378 CA ALA A 27 -3.340 -1.940 2.490 1.00 1.44 C ATOM 379 C ALA A 27 -2.187 -1.172 3.177 1.00 20.10 C ATOM 380 O ALA A 27 -2.408 -0.508 4.189 1.00 31.33 O ATOM 381 CB ALA A 27 -4.316 -2.529 3.514 1.00 11.24 C ATOM 0 H ALA A 27 -3.034 -3.938 1.988 1.00 63.42 H new ATOM 0 HA ALA A 27 -3.854 -1.198 1.879 1.00 1.44 H new ATOM 0 HB1 ALA A 27 -4.669 -1.739 4.176 1.00 11.24 H new ATOM 0 HB2 ALA A 27 -5.165 -2.973 2.994 1.00 11.24 H new ATOM 0 HB3 ALA A 27 -3.809 -3.295 4.101 1.00 11.24 H new ATOM 387 N ARG A 28 -0.939 -1.265 2.705 1.00 45.02 N ATOM 388 CA ARG A 28 0.180 -0.444 3.174 1.00 44.24 C ATOM 389 C ARG A 28 0.788 0.318 2.005 1.00 43.03 C ATOM 390 O ARG A 28 0.856 1.545 2.041 1.00 41.32 O ATOM 391 CB ARG A 28 1.221 -1.302 3.893 1.00 24.42 C ATOM 392 CG ARG A 28 2.140 -0.426 4.769 1.00 14.20 C ATOM 393 CD ARG A 28 1.925 -0.702 6.259 1.00 21.53 C ATOM 394 NE ARG A 28 0.620 -0.231 6.752 1.00 64.23 N ATOM 395 CZ ARG A 28 0.253 -0.199 8.039 1.00 63.22 C ATOM 396 NH1 ARG A 28 1.050 -0.635 9.008 1.00 61.53 N ATOM 397 NH2 ARG A 28 -0.933 0.295 8.372 1.00 12.13 N ATOM 0 H ARG A 28 -0.675 -1.925 1.973 1.00 45.02 H new ATOM 0 HA ARG A 28 -0.190 0.283 3.897 1.00 44.24 H new ATOM 0 HB2 ARG A 28 0.721 -2.046 4.513 1.00 24.42 H new ATOM 0 HB3 ARG A 28 1.819 -1.846 3.162 1.00 24.42 H new ATOM 0 HG2 ARG A 28 3.181 -0.616 4.509 1.00 14.20 H new ATOM 0 HG3 ARG A 28 1.947 0.626 4.561 1.00 14.20 H new ATOM 0 HD2 ARG A 28 2.010 -1.774 6.440 1.00 21.53 H new ATOM 0 HD3 ARG A 28 2.718 -0.219 6.830 1.00 21.53 H new ATOM 0 HE ARG A 28 -0.055 0.096 6.061 1.00 64.23 H new ATOM 0 HH11 ARG A 28 1.972 -1.008 8.781 1.00 61.53 H new ATOM 0 HH12 ARG A 28 0.740 -0.597 9.979 1.00 61.53 H new ATOM 0 HH21 ARG A 28 -1.560 0.648 7.649 1.00 12.13 H new ATOM 0 HH22 ARG A 28 -1.218 0.322 9.351 1.00 12.13 H new ATOM 408 N ARG A 29 1.154 -0.383 0.926 1.00 20.25 N ATOM 409 CA ARG A 29 1.751 0.195 -0.279 1.00 54.12 C ATOM 410 C ARG A 29 0.937 1.377 -0.806 1.00 21.22 C ATOM 411 O ARG A 29 1.524 2.400 -1.149 1.00 11.01 O ATOM 412 CB ARG A 29 2.020 -0.905 -1.331 1.00 74.42 C ATOM 413 CG ARG A 29 0.814 -1.685 -1.865 1.00 31.42 C ATOM 414 CD ARG A 29 0.327 -1.162 -3.212 1.00 1.44 C ATOM 415 NE ARG A 29 -0.907 -1.848 -3.617 1.00 34.23 N ATOM 416 CZ ARG A 29 -1.399 -1.978 -4.850 1.00 23.40 C ATOM 417 NH1 ARG A 29 -0.800 -1.441 -5.908 1.00 74.32 N ATOM 418 NH2 ARG A 29 -2.517 -2.667 -4.999 1.00 2.43 N ATOM 0 H ARG A 29 1.039 -1.395 0.867 1.00 20.25 H new ATOM 0 HA ARG A 29 2.722 0.618 -0.023 1.00 54.12 H new ATOM 0 HB2 ARG A 29 2.524 -0.442 -2.180 1.00 74.42 H new ATOM 0 HB3 ARG A 29 2.718 -1.621 -0.898 1.00 74.42 H new ATOM 0 HG2 ARG A 29 1.081 -2.737 -1.963 1.00 31.42 H new ATOM 0 HG3 ARG A 29 0.000 -1.629 -1.142 1.00 31.42 H new ATOM 0 HD2 ARG A 29 0.149 -0.089 -3.149 1.00 1.44 H new ATOM 0 HD3 ARG A 29 1.098 -1.313 -3.967 1.00 1.44 H new ATOM 0 HE ARG A 29 -1.452 -2.275 -2.868 1.00 34.23 H new ATOM 0 HH11 ARG A 29 0.063 -0.910 -5.791 1.00 74.32 H new ATOM 0 HH12 ARG A 29 -1.203 -1.560 -6.837 1.00 74.32 H new ATOM 0 HH21 ARG A 29 -2.975 -3.079 -4.186 1.00 2.43 H new ATOM 0 HH22 ARG A 29 -2.922 -2.787 -5.927 1.00 2.43 H new ATOM 429 N ASN A 30 -0.398 1.282 -0.806 1.00 13.33 N ATOM 430 CA ASN A 30 -1.259 2.370 -1.280 1.00 40.33 C ATOM 431 C ASN A 30 -1.076 3.636 -0.444 1.00 24.11 C ATOM 432 O ASN A 30 -0.998 4.735 -0.984 1.00 34.23 O ATOM 433 CB ASN A 30 -2.741 1.946 -1.272 1.00 5.35 C ATOM 434 CG ASN A 30 -3.096 0.988 -2.401 1.00 63.14 C ATOM 435 OD1 ASN A 30 -2.254 0.622 -3.209 1.00 60.33 O ATOM 436 ND2 ASN A 30 -4.318 0.500 -2.449 1.00 44.21 N ATOM 0 H ASN A 30 -0.906 0.459 -0.482 1.00 13.33 H new ATOM 0 HA ASN A 30 -0.961 2.591 -2.305 1.00 40.33 H new ATOM 0 HB2 ASN A 30 -2.972 1.474 -0.317 1.00 5.35 H new ATOM 0 HB3 ASN A 30 -3.367 2.835 -1.348 1.00 5.35 H new ATOM 0 HD21 ASN A 30 -4.566 -0.186 -3.162 1.00 44.21 H new ATOM 0 HD22 ASN A 30 -5.017 0.808 -1.773 1.00 44.21 H new ATOM 442 N ARG A 31 -0.986 3.502 0.883 1.00 14.10 N ATOM 443 CA ARG A 31 -0.762 4.626 1.795 1.00 32.22 C ATOM 444 C ARG A 31 0.600 5.269 1.525 1.00 20.41 C ATOM 445 O ARG A 31 0.664 6.493 1.461 1.00 11.31 O ATOM 446 CB ARG A 31 -0.986 4.142 3.243 1.00 2.42 C ATOM 447 CG ARG A 31 -0.562 5.065 4.399 1.00 2.44 C ATOM 448 CD ARG A 31 0.872 4.789 4.880 1.00 32.24 C ATOM 449 NE ARG A 31 0.990 4.912 6.342 1.00 1.02 N ATOM 450 CZ ARG A 31 1.782 4.217 7.169 1.00 53.41 C ATOM 451 NH1 ARG A 31 2.693 3.368 6.713 1.00 33.45 N ATOM 452 NH2 ARG A 31 1.630 4.375 8.478 1.00 11.03 N ATOM 0 H ARG A 31 -1.067 2.603 1.357 1.00 14.10 H new ATOM 0 HA ARG A 31 -1.481 5.428 1.626 1.00 32.22 H new ATOM 0 HB2 ARG A 31 -2.049 3.930 3.361 1.00 2.42 H new ATOM 0 HB3 ARG A 31 -0.457 3.197 3.362 1.00 2.42 H new ATOM 0 HG2 ARG A 31 -0.640 6.103 4.077 1.00 2.44 H new ATOM 0 HG3 ARG A 31 -1.252 4.937 5.233 1.00 2.44 H new ATOM 0 HD2 ARG A 31 1.172 3.787 4.574 1.00 32.24 H new ATOM 0 HD3 ARG A 31 1.557 5.487 4.400 1.00 32.24 H new ATOM 0 HE ARG A 31 0.394 5.614 6.780 1.00 1.02 H new ATOM 0 HH11 ARG A 31 2.805 3.231 5.708 1.00 33.45 H new ATOM 0 HH12 ARG A 31 3.282 2.852 7.367 1.00 33.45 H new ATOM 0 HH21 ARG A 31 0.921 5.015 8.835 1.00 11.03 H new ATOM 0 HH22 ARG A 31 2.222 3.856 9.126 1.00 11.03 H new ATOM 463 N LEU A 32 1.656 4.473 1.313 1.00 35.13 N ATOM 464 CA LEU A 32 2.998 4.987 0.999 1.00 40.53 C ATOM 465 C LEU A 32 3.007 5.765 -0.327 1.00 3.55 C ATOM 466 O LEU A 32 3.710 6.770 -0.430 1.00 31.32 O ATOM 467 CB LEU A 32 4.058 3.857 0.999 1.00 23.20 C ATOM 468 CG LEU A 32 4.772 3.646 2.354 1.00 33.44 C ATOM 469 CD1 LEU A 32 3.802 3.342 3.491 1.00 4.22 C ATOM 470 CD2 LEU A 32 5.782 2.489 2.316 1.00 73.33 C ATOM 0 H LEU A 32 1.606 3.455 1.354 1.00 35.13 H new ATOM 0 HA LEU A 32 3.269 5.686 1.791 1.00 40.53 H new ATOM 0 HB2 LEU A 32 3.576 2.924 0.708 1.00 23.20 H new ATOM 0 HB3 LEU A 32 4.807 4.079 0.239 1.00 23.20 H new ATOM 0 HG LEU A 32 5.283 4.592 2.534 1.00 33.44 H new ATOM 0 HD11 LEU A 32 4.359 3.203 4.417 1.00 4.22 H new ATOM 0 HD12 LEU A 32 3.106 4.173 3.607 1.00 4.22 H new ATOM 0 HD13 LEU A 32 3.247 2.432 3.262 1.00 4.22 H new ATOM 0 HD21 LEU A 32 6.254 2.386 3.293 1.00 73.33 H new ATOM 0 HD22 LEU A 32 5.265 1.563 2.063 1.00 73.33 H new ATOM 0 HD23 LEU A 32 6.544 2.696 1.565 1.00 73.33 H new ATOM 481 N LEU A 33 2.237 5.353 -1.343 1.00 4.31 N ATOM 482 CA LEU A 33 2.113 6.113 -2.583 1.00 21.35 C ATOM 483 C LEU A 33 1.277 7.374 -2.376 1.00 21.34 C ATOM 484 O LEU A 33 1.584 8.420 -2.944 1.00 62.51 O ATOM 485 CB LEU A 33 1.474 5.234 -3.674 1.00 72.21 C ATOM 486 CG LEU A 33 2.509 4.728 -4.702 1.00 0.01 C ATOM 487 CD1 LEU A 33 2.625 3.207 -4.617 1.00 45.23 C ATOM 488 CD2 LEU A 33 2.188 5.125 -6.147 1.00 55.34 C ATOM 0 H LEU A 33 1.690 4.492 -1.325 1.00 4.31 H new ATOM 0 HA LEU A 33 3.112 6.415 -2.898 1.00 21.35 H new ATOM 0 HB2 LEU A 33 0.982 4.381 -3.207 1.00 72.21 H new ATOM 0 HB3 LEU A 33 0.702 5.804 -4.190 1.00 72.21 H new ATOM 0 HG LEU A 33 3.453 5.208 -4.442 1.00 0.01 H new ATOM 0 HD11 LEU A 33 3.357 2.857 -5.345 1.00 45.23 H new ATOM 0 HD12 LEU A 33 2.945 2.922 -3.615 1.00 45.23 H new ATOM 0 HD13 LEU A 33 1.656 2.756 -4.831 1.00 45.23 H new ATOM 0 HD21 LEU A 33 2.959 4.734 -6.811 1.00 55.34 H new ATOM 0 HD22 LEU A 33 1.220 4.712 -6.431 1.00 55.34 H new ATOM 0 HD23 LEU A 33 2.156 6.212 -6.227 1.00 55.34 H new ATOM 499 N GLY A 34 0.219 7.287 -1.571 1.00 13.43 N ATOM 500 CA GLY A 34 -0.671 8.405 -1.323 1.00 40.54 C ATOM 501 C GLY A 34 0.078 9.570 -0.680 1.00 40.03 C ATOM 502 O GLY A 34 -0.055 10.707 -1.123 1.00 53.35 O ATOM 0 H GLY A 34 -0.040 6.435 -1.074 1.00 13.43 H new ATOM 0 HA2 GLY A 34 -1.121 8.731 -2.261 1.00 40.54 H new ATOM 0 HA3 GLY A 34 -1.486 8.088 -0.672 1.00 40.54 H new ATOM 506 N GLU A 35 0.879 9.314 0.355 1.00 1.23 N ATOM 507 CA GLU A 35 1.633 10.365 1.041 1.00 31.12 C ATOM 508 C GLU A 35 2.767 10.946 0.181 1.00 60.15 C ATOM 509 O GLU A 35 3.071 12.135 0.317 1.00 52.52 O ATOM 510 CB GLU A 35 2.107 9.881 2.422 1.00 2.21 C ATOM 511 CG GLU A 35 2.900 8.558 2.430 1.00 4.32 C ATOM 512 CD GLU A 35 4.394 8.646 2.762 1.00 41.12 C ATOM 513 OE1 GLU A 35 4.871 9.691 3.266 1.00 54.31 O ATOM 514 OE2 GLU A 35 5.089 7.610 2.683 1.00 14.10 O ATOM 0 H GLU A 35 1.023 8.380 0.739 1.00 1.23 H new ATOM 0 HA GLU A 35 0.954 11.202 1.207 1.00 31.12 H new ATOM 0 HB2 GLU A 35 2.729 10.659 2.866 1.00 2.21 H new ATOM 0 HB3 GLU A 35 1.235 9.765 3.065 1.00 2.21 H new ATOM 0 HG2 GLU A 35 2.432 7.886 3.150 1.00 4.32 H new ATOM 0 HG3 GLU A 35 2.797 8.095 1.448 1.00 4.32 H new ATOM 519 N TRP A 36 3.342 10.163 -0.743 1.00 3.35 N ATOM 520 CA TRP A 36 4.240 10.675 -1.784 1.00 51.32 C ATOM 521 C TRP A 36 3.481 11.686 -2.637 1.00 32.33 C ATOM 522 O TRP A 36 3.837 12.860 -2.679 1.00 43.22 O ATOM 523 CB TRP A 36 4.798 9.530 -2.649 1.00 0.31 C ATOM 524 CG TRP A 36 5.389 9.913 -3.974 1.00 23.52 C ATOM 525 CD1 TRP A 36 6.469 10.711 -4.142 1.00 14.43 C ATOM 526 CD2 TRP A 36 4.926 9.572 -5.326 1.00 34.25 C ATOM 527 NE1 TRP A 36 6.700 10.906 -5.486 1.00 71.41 N ATOM 528 CE2 TRP A 36 5.773 10.242 -6.258 1.00 15.13 C ATOM 529 CE3 TRP A 36 3.886 8.778 -5.873 1.00 62.14 C ATOM 530 CZ2 TRP A 36 5.573 10.174 -7.641 1.00 64.53 C ATOM 531 CZ3 TRP A 36 3.669 8.722 -7.270 1.00 31.20 C ATOM 532 CH2 TRP A 36 4.498 9.436 -8.151 1.00 1.52 C ATOM 0 H TRP A 36 3.196 9.155 -0.788 1.00 3.35 H new ATOM 0 HA TRP A 36 5.093 11.165 -1.314 1.00 51.32 H new ATOM 0 HB2 TRP A 36 5.563 9.010 -2.073 1.00 0.31 H new ATOM 0 HB3 TRP A 36 3.994 8.816 -2.829 1.00 0.31 H new ATOM 0 HD1 TRP A 36 7.061 11.132 -3.343 1.00 14.43 H new ATOM 0 HE1 TRP A 36 7.462 11.471 -5.862 1.00 71.41 H new ATOM 0 HE3 TRP A 36 3.250 8.207 -5.213 1.00 62.14 H new ATOM 0 HZ2 TRP A 36 6.245 10.688 -8.312 1.00 64.53 H new ATOM 0 HZ3 TRP A 36 2.859 8.125 -7.662 1.00 31.20 H new ATOM 0 HH2 TRP A 36 4.308 9.416 -9.214 1.00 1.52 H new ATOM 542 N ALA A 37 2.399 11.246 -3.280 1.00 20.33 N ATOM 543 CA ALA A 37 1.652 12.061 -4.221 1.00 71.22 C ATOM 544 C ALA A 37 1.052 13.309 -3.556 1.00 12.03 C ATOM 545 O ALA A 37 1.071 14.375 -4.166 1.00 23.14 O ATOM 546 CB ALA A 37 0.600 11.181 -4.897 1.00 11.21 C ATOM 0 H ALA A 37 2.019 10.307 -3.157 1.00 20.33 H new ATOM 0 HA ALA A 37 2.326 12.449 -4.985 1.00 71.22 H new ATOM 0 HB1 ALA A 37 0.029 11.778 -5.608 1.00 11.21 H new ATOM 0 HB2 ALA A 37 1.093 10.363 -5.423 1.00 11.21 H new ATOM 0 HB3 ALA A 37 -0.073 10.773 -4.142 1.00 11.21 H new ATOM 552 N ALA A 38 0.591 13.237 -2.302 1.00 4.13 N ATOM 553 CA ALA A 38 0.171 14.414 -1.537 1.00 20.33 C ATOM 554 C ALA A 38 1.312 15.442 -1.441 1.00 40.22 C ATOM 555 O ALA A 38 1.079 16.647 -1.569 1.00 43.33 O ATOM 556 CB ALA A 38 -0.287 13.983 -0.141 1.00 34.22 C ATOM 0 H ALA A 38 0.499 12.360 -1.790 1.00 4.13 H new ATOM 0 HA ALA A 38 -0.662 14.890 -2.054 1.00 20.33 H new ATOM 0 HB1 ALA A 38 -0.599 14.860 0.426 1.00 34.22 H new ATOM 0 HB2 ALA A 38 -1.125 13.292 -0.230 1.00 34.22 H new ATOM 0 HB3 ALA A 38 0.536 13.490 0.376 1.00 34.22 H new ATOM 562 N GLY A 39 2.545 14.952 -1.271 1.00 62.25 N ATOM 563 CA GLY A 39 3.792 15.707 -1.243 1.00 12.43 C ATOM 564 C GLY A 39 4.274 16.196 -2.603 1.00 35.22 C ATOM 565 O GLY A 39 5.345 16.798 -2.675 1.00 62.34 O ATOM 0 H GLY A 39 2.703 13.953 -1.141 1.00 62.25 H new ATOM 0 HA2 GLY A 39 3.664 16.568 -0.587 1.00 12.43 H new ATOM 0 HA3 GLY A 39 4.568 15.083 -0.801 1.00 12.43 H new ATOM 569 N LEU A 40 3.528 15.928 -3.672 1.00 42.04 N ATOM 570 CA LEU A 40 3.708 16.485 -4.999 1.00 41.32 C ATOM 571 C LEU A 40 2.602 17.472 -5.315 1.00 53.43 C ATOM 572 O LEU A 40 2.841 18.493 -5.958 1.00 63.14 O ATOM 573 CB LEU A 40 3.646 15.345 -6.023 1.00 20.24 C ATOM 574 CG LEU A 40 4.843 14.403 -5.962 1.00 42.44 C ATOM 575 CD1 LEU A 40 4.598 13.260 -6.945 1.00 2.13 C ATOM 576 CD2 LEU A 40 6.069 15.173 -6.422 1.00 2.21 C ATOM 0 H LEU A 40 2.741 15.281 -3.627 1.00 42.04 H new ATOM 0 HA LEU A 40 4.669 16.997 -5.041 1.00 41.32 H new ATOM 0 HB2 LEU A 40 2.734 14.771 -5.860 1.00 20.24 H new ATOM 0 HB3 LEU A 40 3.580 15.771 -7.024 1.00 20.24 H new ATOM 0 HG LEU A 40 4.985 14.018 -4.952 1.00 42.44 H new ATOM 0 HD11 LEU A 40 5.442 12.571 -6.920 1.00 2.13 H new ATOM 0 HD12 LEU A 40 3.688 12.729 -6.666 1.00 2.13 H new ATOM 0 HD13 LEU A 40 4.489 13.663 -7.952 1.00 2.13 H new ATOM 0 HD21 LEU A 40 6.942 14.521 -6.388 1.00 2.21 H new ATOM 0 HD22 LEU A 40 5.917 15.523 -7.443 1.00 2.21 H new ATOM 0 HD23 LEU A 40 6.229 16.028 -5.765 1.00 2.21 H new ATOM 587 N LEU A 41 1.358 17.139 -4.962 1.00 2.21 N ATOM 588 CA LEU A 41 0.209 18.003 -5.226 1.00 72.14 C ATOM 589 C LEU A 41 0.414 19.288 -4.408 1.00 35.40 C ATOM 590 O LEU A 41 0.186 20.378 -4.928 1.00 20.33 O ATOM 591 CB LEU A 41 -1.091 17.255 -4.879 1.00 21.24 C ATOM 592 CG LEU A 41 -1.356 16.065 -5.835 1.00 15.30 C ATOM 593 CD1 LEU A 41 -1.961 14.843 -5.150 1.00 34.12 C ATOM 594 CD2 LEU A 41 -2.310 16.427 -6.972 1.00 31.51 C ATOM 0 H LEU A 41 1.121 16.267 -4.488 1.00 2.21 H new ATOM 0 HA LEU A 41 0.125 18.273 -6.279 1.00 72.14 H new ATOM 0 HB2 LEU A 41 -1.035 16.889 -3.854 1.00 21.24 H new ATOM 0 HB3 LEU A 41 -1.930 17.949 -4.924 1.00 21.24 H new ATOM 0 HG LEU A 41 -0.361 15.826 -6.211 1.00 15.30 H new ATOM 0 HD11 LEU A 41 -2.117 14.054 -5.885 1.00 34.12 H new ATOM 0 HD12 LEU A 41 -1.283 14.488 -4.374 1.00 34.12 H new ATOM 0 HD13 LEU A 41 -2.916 15.114 -4.701 1.00 34.12 H new ATOM 0 HD21 LEU A 41 -2.461 15.557 -7.611 1.00 31.51 H new ATOM 0 HD22 LEU A 41 -3.267 16.743 -6.557 1.00 31.51 H new ATOM 0 HD23 LEU A 41 -1.884 17.240 -7.560 1.00 31.51 H new ATOM 605 N GLY A 42 0.984 19.167 -3.200 1.00 71.42 N ATOM 606 CA GLY A 42 1.447 20.281 -2.375 1.00 21.22 C ATOM 607 C GLY A 42 0.603 20.472 -1.130 1.00 71.21 C ATOM 608 O GLY A 42 0.519 21.582 -0.596 1.00 51.01 O ATOM 0 H GLY A 42 1.138 18.260 -2.761 1.00 71.42 H new ATOM 0 HA2 GLY A 42 2.483 20.108 -2.084 1.00 21.22 H new ATOM 0 HA3 GLY A 42 1.431 21.197 -2.965 1.00 21.22 H new ATOM 612 N LYS A 43 -0.061 19.409 -0.680 1.00 40.24 N ATOM 613 CA LYS A 43 -1.125 19.564 0.290 1.00 62.33 C ATOM 614 C LYS A 43 -0.581 19.886 1.673 1.00 65.41 C ATOM 615 O LYS A 43 0.560 19.543 2.003 1.00 44.32 O ATOM 616 CB LYS A 43 -1.962 18.285 0.355 1.00 73.22 C ATOM 617 CG LYS A 43 -2.607 17.867 -0.961 1.00 71.11 C ATOM 618 CD LYS A 43 -3.783 18.750 -1.395 1.00 60.33 C ATOM 619 CE LYS A 43 -3.803 18.877 -2.919 1.00 52.01 C ATOM 620 NZ LYS A 43 -5.123 19.280 -3.418 1.00 72.34 N ATOM 0 H LYS A 43 0.120 18.448 -0.970 1.00 40.24 H new ATOM 0 HA LYS A 43 -1.748 20.399 -0.032 1.00 62.33 H new ATOM 0 HB2 LYS A 43 -1.327 17.471 0.705 1.00 73.22 H new ATOM 0 HB3 LYS A 43 -2.747 18.420 1.099 1.00 73.22 H new ATOM 0 HG2 LYS A 43 -1.849 17.881 -1.744 1.00 71.11 H new ATOM 0 HG3 LYS A 43 -2.954 16.838 -0.871 1.00 71.11 H new ATOM 0 HD2 LYS A 43 -4.721 18.319 -1.045 1.00 60.33 H new ATOM 0 HD3 LYS A 43 -3.696 19.737 -0.940 1.00 60.33 H new ATOM 0 HE2 LYS A 43 -3.058 19.608 -3.232 1.00 52.01 H new ATOM 0 HE3 LYS A 43 -3.521 17.924 -3.366 1.00 52.01 H new ATOM 0 HZ1 LYS A 43 -5.094 19.355 -4.455 1.00 72.34 H new ATOM 0 HZ2 LYS A 43 -5.830 18.569 -3.142 1.00 72.34 H new ATOM 0 HZ3 LYS A 43 -5.381 20.202 -3.012 1.00 72.34 H new ATOM 630 N THR A 44 -1.441 20.431 2.520 1.00 20.52 N ATOM 631 CA THR A 44 -1.189 20.711 3.923 1.00 33.42 C ATOM 632 C THR A 44 -2.420 20.301 4.742 1.00 40.24 C ATOM 633 O THR A 44 -3.441 19.884 4.184 1.00 12.05 O ATOM 634 CB THR A 44 -0.802 22.198 4.086 1.00 55.02 C ATOM 635 OG1 THR A 44 -1.723 23.079 3.460 1.00 32.30 O ATOM 636 CG2 THR A 44 0.588 22.502 3.512 1.00 51.51 C ATOM 0 H THR A 44 -2.381 20.703 2.231 1.00 20.52 H new ATOM 0 HA THR A 44 -0.349 20.129 4.301 1.00 33.42 H new ATOM 0 HB THR A 44 -0.810 22.366 5.163 1.00 55.02 H new ATOM 0 HG1 THR A 44 -1.433 24.005 3.595 1.00 32.30 H new ATOM 0 HG21 THR A 44 0.815 23.559 3.650 1.00 51.51 H new ATOM 0 HG22 THR A 44 1.335 21.900 4.029 1.00 51.51 H new ATOM 0 HG23 THR A 44 0.603 22.264 2.449 1.00 51.51 H new ATOM 644 N GLY A 45 -2.336 20.430 6.064 1.00 0.41 N ATOM 645 CA GLY A 45 -3.464 20.334 6.964 1.00 72.44 C ATOM 646 C GLY A 45 -4.009 18.922 6.937 1.00 54.42 C ATOM 647 O GLY A 45 -3.239 17.970 7.103 1.00 11.41 O ATOM 0 H GLY A 45 -1.454 20.609 6.544 1.00 0.41 H new ATOM 0 HA2 GLY A 45 -3.159 20.599 7.976 1.00 72.44 H new ATOM 0 HA3 GLY A 45 -4.240 21.041 6.669 1.00 72.44 H new ATOM 651 N ASP A 46 -5.320 18.789 6.741 1.00 21.14 N ATOM 652 CA ASP A 46 -5.953 17.482 6.630 1.00 43.01 C ATOM 653 C ASP A 46 -6.090 17.042 5.181 1.00 53.21 C ATOM 654 O ASP A 46 -6.345 15.871 4.931 1.00 42.41 O ATOM 655 CB ASP A 46 -7.347 17.476 7.261 1.00 40.35 C ATOM 656 CG ASP A 46 -7.294 17.276 8.762 1.00 44.43 C ATOM 657 OD1 ASP A 46 -6.968 16.166 9.231 1.00 52.14 O ATOM 658 OD2 ASP A 46 -7.635 18.237 9.487 1.00 62.45 O ATOM 0 H ASP A 46 -5.964 19.576 6.656 1.00 21.14 H new ATOM 0 HA ASP A 46 -5.303 16.788 7.163 1.00 43.01 H new ATOM 0 HB2 ASP A 46 -7.849 18.418 7.039 1.00 40.35 H new ATOM 0 HB3 ASP A 46 -7.944 16.683 6.811 1.00 40.35 H new ATOM 662 N ASP A 47 -5.922 17.931 4.204 1.00 31.20 N ATOM 663 CA ASP A 47 -6.068 17.570 2.791 1.00 42.32 C ATOM 664 C ASP A 47 -4.981 16.580 2.388 1.00 34.14 C ATOM 665 O ASP A 47 -5.236 15.653 1.615 1.00 21.23 O ATOM 666 CB ASP A 47 -6.007 18.819 1.898 1.00 22.10 C ATOM 667 CG ASP A 47 -7.411 19.280 1.481 1.00 33.11 C ATOM 668 OD1 ASP A 47 -8.262 19.520 2.373 1.00 54.23 O ATOM 669 OD2 ASP A 47 -7.702 19.371 0.268 1.00 43.33 O ATOM 0 H ASP A 47 -5.684 18.910 4.363 1.00 31.20 H new ATOM 0 HA ASP A 47 -7.043 17.101 2.655 1.00 42.32 H new ATOM 0 HB2 ASP A 47 -5.501 19.624 2.431 1.00 22.10 H new ATOM 0 HB3 ASP A 47 -5.414 18.604 1.009 1.00 22.10 H new ATOM 673 N ALA A 48 -3.776 16.758 2.942 1.00 45.02 N ATOM 674 CA ALA A 48 -2.645 15.876 2.709 1.00 24.12 C ATOM 675 C ALA A 48 -2.886 14.519 3.363 1.00 21.31 C ATOM 676 O ALA A 48 -2.517 13.468 2.831 1.00 40.35 O ATOM 677 CB ALA A 48 -1.387 16.501 3.320 1.00 13.21 C ATOM 0 H ALA A 48 -3.564 17.532 3.572 1.00 45.02 H new ATOM 0 HA ALA A 48 -2.520 15.740 1.635 1.00 24.12 H new ATOM 0 HB1 ALA A 48 -0.534 15.844 3.149 1.00 13.21 H new ATOM 0 HB2 ALA A 48 -1.199 17.469 2.855 1.00 13.21 H new ATOM 0 HB3 ALA A 48 -1.532 16.636 4.392 1.00 13.21 H new ATOM 683 N ARG A 49 -3.483 14.553 4.556 1.00 34.24 N ATOM 684 CA ARG A 49 -3.810 13.354 5.305 1.00 71.45 C ATOM 685 C ARG A 49 -4.836 12.569 4.506 1.00 44.14 C ATOM 686 O ARG A 49 -4.584 11.419 4.167 1.00 31.14 O ATOM 687 CB ARG A 49 -4.296 13.689 6.724 1.00 20.15 C ATOM 688 CG ARG A 49 -3.216 14.424 7.533 1.00 43.02 C ATOM 689 CD ARG A 49 -3.637 14.634 8.989 1.00 3.44 C ATOM 690 NE ARG A 49 -3.641 13.371 9.745 1.00 72.15 N ATOM 691 CZ ARG A 49 -4.095 13.215 10.994 1.00 32.50 C ATOM 692 NH1 ARG A 49 -4.609 14.237 11.664 1.00 72.14 N ATOM 693 NH2 ARG A 49 -4.004 12.032 11.595 1.00 1.40 N ATOM 0 H ARG A 49 -3.751 15.418 5.025 1.00 34.24 H new ATOM 0 HA ARG A 49 -2.919 12.741 5.443 1.00 71.45 H new ATOM 0 HB2 ARG A 49 -5.192 14.307 6.666 1.00 20.15 H new ATOM 0 HB3 ARG A 49 -4.576 12.770 7.240 1.00 20.15 H new ATOM 0 HG2 ARG A 49 -2.288 13.853 7.502 1.00 43.02 H new ATOM 0 HG3 ARG A 49 -3.011 15.390 7.071 1.00 43.02 H new ATOM 0 HD2 ARG A 49 -2.957 15.341 9.465 1.00 3.44 H new ATOM 0 HD3 ARG A 49 -4.632 15.079 9.019 1.00 3.44 H new ATOM 0 HE ARG A 49 -3.266 12.545 9.278 1.00 72.15 H new ATOM 0 HH11 ARG A 49 -4.662 15.158 11.228 1.00 72.14 H new ATOM 0 HH12 ARG A 49 -4.951 14.103 12.615 1.00 72.14 H new ATOM 0 HH21 ARG A 49 -3.587 11.241 11.104 1.00 1.40 H new ATOM 0 HH22 ARG A 49 -4.351 11.916 12.547 1.00 1.40 H new ATOM 704 N ALA A 50 -5.942 13.216 4.141 1.00 51.44 N ATOM 705 CA ALA A 50 -7.050 12.622 3.421 1.00 0.45 C ATOM 706 C ALA A 50 -6.597 11.930 2.141 1.00 71.23 C ATOM 707 O ALA A 50 -7.003 10.797 1.898 1.00 15.15 O ATOM 708 CB ALA A 50 -8.111 13.690 3.142 1.00 40.45 C ATOM 0 H ALA A 50 -6.089 14.204 4.350 1.00 51.44 H new ATOM 0 HA ALA A 50 -7.489 11.844 4.046 1.00 0.45 H new ATOM 0 HB1 ALA A 50 -8.944 13.242 2.600 1.00 40.45 H new ATOM 0 HB2 ALA A 50 -8.470 14.101 4.085 1.00 40.45 H new ATOM 0 HB3 ALA A 50 -7.675 14.488 2.541 1.00 40.45 H new ATOM 714 N TYR A 51 -5.741 12.573 1.346 1.00 1.11 N ATOM 715 CA TYR A 51 -5.263 12.011 0.091 1.00 31.20 C ATOM 716 C TYR A 51 -4.444 10.721 0.308 1.00 23.52 C ATOM 717 O TYR A 51 -4.521 9.786 -0.490 1.00 53.24 O ATOM 718 CB TYR A 51 -4.474 13.096 -0.652 1.00 14.31 C ATOM 719 CG TYR A 51 -4.051 12.679 -2.040 1.00 0.20 C ATOM 720 CD1 TYR A 51 -2.957 11.818 -2.170 1.00 0.32 C ATOM 721 CD2 TYR A 51 -4.741 13.116 -3.189 1.00 15.22 C ATOM 722 CE1 TYR A 51 -2.612 11.313 -3.422 1.00 11.42 C ATOM 723 CE2 TYR A 51 -4.293 12.735 -4.468 1.00 62.41 C ATOM 724 CZ TYR A 51 -3.274 11.761 -4.583 1.00 41.04 C ATOM 725 OH TYR A 51 -2.942 11.223 -5.788 1.00 54.42 O ATOM 0 H TYR A 51 -5.362 13.496 1.557 1.00 1.11 H new ATOM 0 HA TYR A 51 -6.111 11.706 -0.522 1.00 31.20 H new ATOM 0 HB2 TYR A 51 -5.084 13.997 -0.720 1.00 14.31 H new ATOM 0 HB3 TYR A 51 -3.588 13.354 -0.071 1.00 14.31 H new ATOM 0 HD1 TYR A 51 -2.379 11.544 -1.300 1.00 0.32 H new ATOM 0 HD2 TYR A 51 -5.614 13.744 -3.088 1.00 15.22 H new ATOM 0 HE1 TYR A 51 -1.831 10.572 -3.504 1.00 11.42 H new ATOM 0 HE2 TYR A 51 -4.723 13.182 -5.352 1.00 62.41 H new ATOM 0 HH TYR A 51 -3.487 11.634 -6.491 1.00 54.42 H new ATOM 734 N ALA A 52 -3.648 10.633 1.379 1.00 43.53 N ATOM 735 CA ALA A 52 -2.972 9.389 1.750 1.00 1.01 C ATOM 736 C ALA A 52 -3.927 8.355 2.369 1.00 55.32 C ATOM 737 O ALA A 52 -3.637 7.155 2.368 1.00 24.32 O ATOM 738 CB ALA A 52 -1.827 9.690 2.720 1.00 13.12 C ATOM 0 H ALA A 52 -3.457 11.414 2.006 1.00 43.53 H new ATOM 0 HA ALA A 52 -2.580 8.950 0.833 1.00 1.01 H new ATOM 0 HB1 ALA A 52 -1.327 8.760 2.993 1.00 13.12 H new ATOM 0 HB2 ALA A 52 -1.112 10.360 2.242 1.00 13.12 H new ATOM 0 HB3 ALA A 52 -2.225 10.165 3.617 1.00 13.12 H new ATOM 744 N LEU A 53 -5.064 8.802 2.905 1.00 5.50 N ATOM 745 CA LEU A 53 -5.986 8.039 3.742 1.00 23.14 C ATOM 746 C LEU A 53 -7.335 7.942 3.031 1.00 3.10 C ATOM 747 O LEU A 53 -8.371 8.353 3.557 1.00 31.13 O ATOM 748 CB LEU A 53 -6.093 8.697 5.133 1.00 24.40 C ATOM 749 CG LEU A 53 -4.786 8.727 5.948 1.00 55.24 C ATOM 750 CD1 LEU A 53 -4.994 9.563 7.215 1.00 41.34 C ATOM 751 CD2 LEU A 53 -4.324 7.319 6.340 1.00 35.35 C ATOM 0 H LEU A 53 -5.382 9.760 2.757 1.00 5.50 H new ATOM 0 HA LEU A 53 -5.618 7.025 3.899 1.00 23.14 H new ATOM 0 HB2 LEU A 53 -6.447 9.720 5.007 1.00 24.40 H new ATOM 0 HB3 LEU A 53 -6.850 8.167 5.711 1.00 24.40 H new ATOM 0 HG LEU A 53 -4.013 9.171 5.321 1.00 55.24 H new ATOM 0 HD11 LEU A 53 -4.070 9.585 7.792 1.00 41.34 H new ATOM 0 HD12 LEU A 53 -5.273 10.580 6.938 1.00 41.34 H new ATOM 0 HD13 LEU A 53 -5.787 9.120 7.817 1.00 41.34 H new ATOM 0 HD21 LEU A 53 -3.399 7.386 6.913 1.00 35.35 H new ATOM 0 HD22 LEU A 53 -5.093 6.839 6.946 1.00 35.35 H new ATOM 0 HD23 LEU A 53 -4.151 6.729 5.440 1.00 35.35 H new ATOM 762 N THR A 54 -7.301 7.410 1.811 1.00 45.01 N ATOM 763 CA THR A 54 -8.465 7.181 0.966 1.00 60.31 C ATOM 764 C THR A 54 -8.157 5.930 0.128 1.00 2.41 C ATOM 765 O THR A 54 -8.738 4.879 0.382 1.00 21.50 O ATOM 766 CB THR A 54 -8.813 8.498 0.223 1.00 11.03 C ATOM 767 OG1 THR A 54 -10.007 8.477 -0.533 1.00 23.41 O ATOM 768 CG2 THR A 54 -7.720 9.061 -0.685 1.00 0.32 C ATOM 0 H THR A 54 -6.429 7.117 1.370 1.00 45.01 H new ATOM 0 HA THR A 54 -9.390 6.952 1.496 1.00 60.31 H new ATOM 0 HB THR A 54 -8.938 9.154 1.084 1.00 11.03 H new ATOM 0 HG1 THR A 54 -10.139 9.349 -0.960 1.00 23.41 H new ATOM 0 HG21 THR A 54 -8.073 9.981 -1.152 1.00 0.32 H new ATOM 0 HG22 THR A 54 -6.829 9.273 -0.094 1.00 0.32 H new ATOM 0 HG23 THR A 54 -7.478 8.332 -1.458 1.00 0.32 H new ATOM 776 N VAL A 55 -7.153 5.985 -0.757 1.00 41.31 N ATOM 777 CA VAL A 55 -6.735 4.933 -1.695 1.00 34.33 C ATOM 778 C VAL A 55 -6.322 3.586 -1.062 1.00 12.30 C ATOM 779 O VAL A 55 -5.901 2.677 -1.770 1.00 63.13 O ATOM 780 CB VAL A 55 -5.584 5.472 -2.580 1.00 53.12 C ATOM 781 CG1 VAL A 55 -6.064 6.547 -3.563 1.00 61.14 C ATOM 782 CG2 VAL A 55 -4.414 6.020 -1.746 1.00 32.43 C ATOM 0 H VAL A 55 -6.573 6.820 -0.843 1.00 41.31 H new ATOM 0 HA VAL A 55 -7.625 4.698 -2.279 1.00 34.33 H new ATOM 0 HB VAL A 55 -5.227 4.615 -3.151 1.00 53.12 H new ATOM 0 HG11 VAL A 55 -5.222 6.895 -4.162 1.00 61.14 H new ATOM 0 HG12 VAL A 55 -6.826 6.126 -4.219 1.00 61.14 H new ATOM 0 HG13 VAL A 55 -6.485 7.385 -3.008 1.00 61.14 H new ATOM 0 HG21 VAL A 55 -3.632 6.386 -2.412 1.00 32.43 H new ATOM 0 HG22 VAL A 55 -4.767 6.837 -1.117 1.00 32.43 H new ATOM 0 HG23 VAL A 55 -4.012 5.226 -1.117 1.00 32.43 H new ATOM 792 N VAL A 56 -6.364 3.433 0.257 1.00 12.44 N ATOM 793 CA VAL A 56 -5.830 2.304 1.003 1.00 1.32 C ATOM 794 C VAL A 56 -6.987 1.654 1.762 1.00 41.14 C ATOM 795 O VAL A 56 -7.851 2.383 2.253 1.00 13.54 O ATOM 796 CB VAL A 56 -4.687 2.828 1.903 1.00 71.43 C ATOM 797 CG1 VAL A 56 -5.129 3.920 2.893 1.00 12.22 C ATOM 798 CG2 VAL A 56 -4.004 1.677 2.644 1.00 62.23 C ATOM 0 H VAL A 56 -6.794 4.131 0.864 1.00 12.44 H new ATOM 0 HA VAL A 56 -5.398 1.530 0.368 1.00 1.32 H new ATOM 0 HB VAL A 56 -3.971 3.299 1.229 1.00 71.43 H new ATOM 0 HG11 VAL A 56 -4.274 4.238 3.490 1.00 12.22 H new ATOM 0 HG12 VAL A 56 -5.524 4.773 2.341 1.00 12.22 H new ATOM 0 HG13 VAL A 56 -5.903 3.524 3.550 1.00 12.22 H new ATOM 0 HG21 VAL A 56 -3.204 2.071 3.270 1.00 62.23 H new ATOM 0 HG22 VAL A 56 -4.734 1.163 3.269 1.00 62.23 H new ATOM 0 HG23 VAL A 56 -3.587 0.976 1.921 1.00 62.23 H new ATOM 915 N GLU A 66 -4.612 -2.266 -12.252 1.00 21.15 N ATOM 916 CA GLU A 66 -3.780 -1.275 -12.948 1.00 42.42 C ATOM 917 C GLU A 66 -4.336 0.154 -12.842 1.00 2.03 C ATOM 918 O GLU A 66 -3.692 1.093 -13.311 1.00 1.54 O ATOM 919 CB GLU A 66 -3.660 -1.668 -14.432 1.00 5.50 C ATOM 920 CG GLU A 66 -2.820 -2.929 -14.664 1.00 62.41 C ATOM 921 CD GLU A 66 -1.345 -2.771 -14.265 1.00 4.42 C ATOM 922 OE1 GLU A 66 -0.637 -1.912 -14.842 1.00 42.41 O ATOM 923 OE2 GLU A 66 -0.879 -3.541 -13.389 1.00 33.31 O ATOM 0 HA GLU A 66 -2.803 -1.275 -12.464 1.00 42.42 H new ATOM 0 HB2 GLU A 66 -4.658 -1.826 -14.840 1.00 5.50 H new ATOM 0 HB3 GLU A 66 -3.217 -0.839 -14.985 1.00 5.50 H new ATOM 0 HG2 GLU A 66 -3.254 -3.753 -14.098 1.00 62.41 H new ATOM 0 HG3 GLU A 66 -2.875 -3.202 -15.718 1.00 62.41 H new ATOM 928 N ASP A 67 -5.509 0.360 -12.236 1.00 21.30 N ATOM 929 CA ASP A 67 -6.199 1.658 -12.300 1.00 32.42 C ATOM 930 C ASP A 67 -5.419 2.675 -11.495 1.00 43.03 C ATOM 931 O ASP A 67 -5.408 3.833 -11.865 1.00 42.52 O ATOM 932 CB ASP A 67 -7.658 1.603 -11.819 1.00 75.34 C ATOM 933 CG ASP A 67 -8.607 2.217 -12.845 1.00 54.13 C ATOM 934 OD1 ASP A 67 -8.988 1.458 -13.772 1.00 55.42 O ATOM 935 OD2 ASP A 67 -8.945 3.419 -12.801 1.00 73.12 O ATOM 0 H ASP A 67 -6.002 -0.351 -11.696 1.00 21.30 H new ATOM 0 HA ASP A 67 -6.241 1.949 -13.350 1.00 32.42 H new ATOM 0 HB2 ASP A 67 -7.942 0.567 -11.632 1.00 75.34 H new ATOM 0 HB3 ASP A 67 -7.751 2.134 -10.872 1.00 75.34 H new ATOM 939 N VAL A 68 -4.652 2.231 -10.498 1.00 51.52 N ATOM 940 CA VAL A 68 -3.716 3.017 -9.710 1.00 12.51 C ATOM 941 C VAL A 68 -2.843 3.941 -10.563 1.00 61.33 C ATOM 942 O VAL A 68 -2.588 5.084 -10.173 1.00 63.43 O ATOM 943 CB VAL A 68 -2.877 2.024 -8.888 1.00 40.41 C ATOM 944 CG1 VAL A 68 -1.874 1.204 -9.713 1.00 73.22 C ATOM 945 CG2 VAL A 68 -2.171 2.719 -7.725 1.00 32.24 C ATOM 0 H VAL A 68 -4.673 1.254 -10.206 1.00 51.52 H new ATOM 0 HA VAL A 68 -4.264 3.693 -9.054 1.00 12.51 H new ATOM 0 HB VAL A 68 -3.598 1.307 -8.495 1.00 40.41 H new ATOM 0 HG11 VAL A 68 -1.326 0.530 -9.054 1.00 73.22 H new ATOM 0 HG12 VAL A 68 -2.410 0.622 -10.463 1.00 73.22 H new ATOM 0 HG13 VAL A 68 -1.174 1.877 -10.208 1.00 73.22 H new ATOM 0 HG21 VAL A 68 -1.587 1.989 -7.165 1.00 32.24 H new ATOM 0 HG22 VAL A 68 -1.509 3.493 -8.112 1.00 32.24 H new ATOM 0 HG23 VAL A 68 -2.913 3.172 -7.067 1.00 32.24 H new ATOM 955 N PHE A 69 -2.380 3.470 -11.723 1.00 15.40 N ATOM 956 CA PHE A 69 -1.543 4.265 -12.597 1.00 1.24 C ATOM 957 C PHE A 69 -2.374 5.426 -13.131 1.00 13.44 C ATOM 958 O PHE A 69 -2.014 6.582 -12.941 1.00 21.10 O ATOM 959 CB PHE A 69 -0.984 3.374 -13.705 1.00 40.25 C ATOM 960 CG PHE A 69 -0.190 4.138 -14.737 1.00 73.12 C ATOM 961 CD1 PHE A 69 1.092 4.626 -14.428 1.00 35.14 C ATOM 962 CD2 PHE A 69 -0.745 4.385 -16.005 1.00 51.14 C ATOM 963 CE1 PHE A 69 1.814 5.347 -15.388 1.00 34.24 C ATOM 964 CE2 PHE A 69 -0.003 5.083 -16.969 1.00 33.42 C ATOM 965 CZ PHE A 69 1.290 5.541 -16.672 1.00 0.24 C ATOM 0 H PHE A 69 -2.578 2.533 -12.073 1.00 15.40 H new ATOM 0 HA PHE A 69 -0.689 4.683 -12.065 1.00 1.24 H new ATOM 0 HB2 PHE A 69 -0.349 2.608 -13.261 1.00 40.25 H new ATOM 0 HB3 PHE A 69 -1.808 2.858 -14.198 1.00 40.25 H new ATOM 0 HD1 PHE A 69 1.519 4.445 -13.453 1.00 35.14 H new ATOM 0 HD2 PHE A 69 -1.741 4.038 -16.236 1.00 51.14 H new ATOM 0 HE1 PHE A 69 2.781 5.756 -15.136 1.00 34.24 H new ATOM 0 HE2 PHE A 69 -0.428 5.269 -17.944 1.00 33.42 H new ATOM 0 HZ PHE A 69 1.877 6.040 -17.429 1.00 0.24 H new ATOM 974 N ARG A 70 -3.526 5.122 -13.729 1.00 62.24 N ATOM 975 CA ARG A 70 -4.505 6.101 -14.197 1.00 32.34 C ATOM 976 C ARG A 70 -4.980 7.026 -13.070 1.00 40.22 C ATOM 977 O ARG A 70 -5.136 8.221 -13.302 1.00 12.04 O ATOM 978 CB ARG A 70 -5.669 5.327 -14.848 1.00 52.24 C ATOM 979 CG ARG A 70 -5.422 5.037 -16.342 1.00 71.11 C ATOM 980 CD ARG A 70 -6.304 5.894 -17.258 1.00 0.43 C ATOM 981 NE ARG A 70 -5.998 7.334 -17.168 1.00 73.45 N ATOM 982 CZ ARG A 70 -6.849 8.334 -17.432 1.00 5.32 C ATOM 983 NH1 ARG A 70 -8.119 8.093 -17.749 1.00 3.05 N ATOM 984 NH2 ARG A 70 -6.418 9.587 -17.382 1.00 42.24 N ATOM 0 H ARG A 70 -3.811 4.159 -13.906 1.00 62.24 H new ATOM 0 HA ARG A 70 -4.046 6.762 -14.933 1.00 32.34 H new ATOM 0 HB2 ARG A 70 -5.817 4.386 -14.318 1.00 52.24 H new ATOM 0 HB3 ARG A 70 -6.589 5.902 -14.740 1.00 52.24 H new ATOM 0 HG2 ARG A 70 -4.373 5.221 -16.576 1.00 71.11 H new ATOM 0 HG3 ARG A 70 -5.613 3.983 -16.541 1.00 71.11 H new ATOM 0 HD2 ARG A 70 -6.176 5.564 -18.289 1.00 0.43 H new ATOM 0 HD3 ARG A 70 -7.351 5.734 -17.000 1.00 0.43 H new ATOM 0 HE ARG A 70 -5.054 7.591 -16.879 1.00 73.45 H new ATOM 0 HH11 ARG A 70 -8.460 7.133 -17.794 1.00 3.05 H new ATOM 0 HH12 ARG A 70 -8.751 8.869 -17.947 1.00 3.05 H new ATOM 0 HH21 ARG A 70 -5.446 9.783 -17.144 1.00 42.24 H new ATOM 0 HH22 ARG A 70 -7.059 10.355 -17.582 1.00 42.24 H new ATOM 995 N LYS A 71 -5.196 6.509 -11.859 1.00 3.01 N ATOM 996 CA LYS A 71 -5.788 7.218 -10.728 1.00 12.13 C ATOM 997 C LYS A 71 -4.852 8.323 -10.262 1.00 15.23 C ATOM 998 O LYS A 71 -5.259 9.470 -10.056 1.00 64.54 O ATOM 999 CB LYS A 71 -6.057 6.202 -9.593 1.00 24.44 C ATOM 1000 CG LYS A 71 -6.886 6.792 -8.444 1.00 65.11 C ATOM 1001 CD LYS A 71 -8.370 6.828 -8.823 1.00 31.31 C ATOM 1002 CE LYS A 71 -9.103 7.935 -8.074 1.00 15.34 C ATOM 1003 NZ LYS A 71 -10.502 8.021 -8.523 1.00 71.11 N ATOM 0 H LYS A 71 -4.952 5.545 -11.632 1.00 3.01 H new ATOM 0 HA LYS A 71 -6.730 7.681 -11.023 1.00 12.13 H new ATOM 0 HB2 LYS A 71 -6.578 5.337 -10.003 1.00 24.44 H new ATOM 0 HB3 LYS A 71 -5.105 5.844 -9.200 1.00 24.44 H new ATOM 0 HG2 LYS A 71 -6.748 6.194 -7.543 1.00 65.11 H new ATOM 0 HG3 LYS A 71 -6.538 7.799 -8.215 1.00 65.11 H new ATOM 0 HD2 LYS A 71 -8.470 6.984 -9.897 1.00 31.31 H new ATOM 0 HD3 LYS A 71 -8.829 5.866 -8.596 1.00 31.31 H new ATOM 0 HE2 LYS A 71 -9.070 7.741 -7.002 1.00 15.34 H new ATOM 0 HE3 LYS A 71 -8.602 8.889 -8.241 1.00 15.34 H new ATOM 0 HZ1 LYS A 71 -10.987 8.780 -8.003 1.00 71.11 H new ATOM 0 HZ2 LYS A 71 -10.527 8.228 -9.542 1.00 71.11 H new ATOM 0 HZ3 LYS A 71 -10.981 7.116 -8.342 1.00 71.11 H new ATOM 1013 N LEU A 72 -3.587 7.958 -10.071 1.00 21.32 N ATOM 1014 CA LEU A 72 -2.523 8.876 -9.709 1.00 41.05 C ATOM 1015 C LEU A 72 -2.247 9.791 -10.903 1.00 51.01 C ATOM 1016 O LEU A 72 -2.009 10.980 -10.686 1.00 61.35 O ATOM 1017 CB LEU A 72 -1.276 8.064 -9.294 1.00 2.01 C ATOM 1018 CG LEU A 72 -1.226 7.515 -7.850 1.00 64.44 C ATOM 1019 CD1 LEU A 72 -0.715 8.605 -6.906 1.00 1.32 C ATOM 1020 CD2 LEU A 72 -2.541 6.951 -7.298 1.00 63.33 C ATOM 0 H LEU A 72 -3.271 6.993 -10.167 1.00 21.32 H new ATOM 0 HA LEU A 72 -2.806 9.500 -8.861 1.00 41.05 H new ATOM 0 HB2 LEU A 72 -1.182 7.220 -9.977 1.00 2.01 H new ATOM 0 HB3 LEU A 72 -0.400 8.695 -9.444 1.00 2.01 H new ATOM 0 HG LEU A 72 -0.549 6.662 -7.902 1.00 64.44 H new ATOM 0 HD11 LEU A 72 -0.680 8.217 -5.888 1.00 1.32 H new ATOM 0 HD12 LEU A 72 0.285 8.912 -7.212 1.00 1.32 H new ATOM 0 HD13 LEU A 72 -1.386 9.463 -6.945 1.00 1.32 H new ATOM 0 HD21 LEU A 72 -2.385 6.596 -6.279 1.00 63.33 H new ATOM 0 HD22 LEU A 72 -3.300 7.733 -7.297 1.00 63.33 H new ATOM 0 HD23 LEU A 72 -2.873 6.123 -7.924 1.00 63.33 H new ATOM 1031 N ALA A 73 -2.251 9.292 -12.148 1.00 0.24 N ATOM 1032 CA ALA A 73 -1.931 10.097 -13.331 1.00 43.54 C ATOM 1033 C ALA A 73 -2.926 11.241 -13.486 1.00 63.31 C ATOM 1034 O ALA A 73 -2.526 12.370 -13.747 1.00 11.13 O ATOM 1035 CB ALA A 73 -1.878 9.232 -14.595 1.00 11.42 C ATOM 0 H ALA A 73 -2.476 8.320 -12.360 1.00 0.24 H new ATOM 0 HA ALA A 73 -0.940 10.527 -13.189 1.00 43.54 H new ATOM 0 HB1 ALA A 73 -1.639 9.858 -15.455 1.00 11.42 H new ATOM 0 HB2 ALA A 73 -1.112 8.466 -14.480 1.00 11.42 H new ATOM 0 HB3 ALA A 73 -2.846 8.756 -14.751 1.00 11.42 H new ATOM 1041 N ALA A 74 -4.209 10.968 -13.258 1.00 74.24 N ATOM 1042 CA ALA A 74 -5.266 11.963 -13.319 1.00 52.15 C ATOM 1043 C ALA A 74 -5.118 13.060 -12.250 1.00 52.54 C ATOM 1044 O ALA A 74 -5.818 14.073 -12.332 1.00 34.54 O ATOM 1045 CB ALA A 74 -6.610 11.234 -13.203 1.00 20.44 C ATOM 0 H ALA A 74 -4.544 10.034 -13.022 1.00 74.24 H new ATOM 0 HA ALA A 74 -5.204 12.488 -14.272 1.00 52.15 H new ATOM 0 HB1 ALA A 74 -7.422 11.959 -13.246 1.00 20.44 H new ATOM 0 HB2 ALA A 74 -6.712 10.526 -14.025 1.00 20.44 H new ATOM 0 HB3 ALA A 74 -6.652 10.698 -12.255 1.00 20.44 H new ATOM 1051 N ASP A 75 -4.230 12.902 -11.260 1.00 61.23 N ATOM 1052 CA ASP A 75 -3.912 13.918 -10.248 1.00 71.34 C ATOM 1053 C ASP A 75 -2.559 14.565 -10.532 1.00 14.04 C ATOM 1054 O ASP A 75 -2.424 15.786 -10.457 1.00 60.22 O ATOM 1055 CB ASP A 75 -3.903 13.301 -8.839 1.00 0.35 C ATOM 1056 CG ASP A 75 -5.061 13.822 -7.987 1.00 44.24 C ATOM 1057 OD1 ASP A 75 -5.218 15.054 -7.792 1.00 40.13 O ATOM 1058 OD2 ASP A 75 -5.849 12.947 -7.555 1.00 32.32 O ATOM 0 H ASP A 75 -3.698 12.040 -11.137 1.00 61.23 H new ATOM 0 HA ASP A 75 -4.686 14.684 -10.295 1.00 71.34 H new ATOM 0 HB2 ASP A 75 -3.968 12.216 -8.916 1.00 0.35 H new ATOM 0 HB3 ASP A 75 -2.957 13.530 -8.347 1.00 0.35 H new ATOM 1062 N LEU A 76 -1.548 13.757 -10.851 1.00 24.30 N ATOM 1063 CA LEU A 76 -0.154 14.178 -10.967 1.00 12.13 C ATOM 1064 C LEU A 76 0.247 14.512 -12.403 1.00 1.40 C ATOM 1065 O LEU A 76 1.435 14.726 -12.649 1.00 63.51 O ATOM 1066 CB LEU A 76 0.793 13.104 -10.413 1.00 53.11 C ATOM 1067 CG LEU A 76 0.576 12.663 -8.953 1.00 31.52 C ATOM 1068 CD1 LEU A 76 1.579 11.566 -8.574 1.00 14.43 C ATOM 1069 CD2 LEU A 76 0.787 13.850 -8.015 1.00 63.41 C ATOM 0 H LEU A 76 -1.681 12.764 -11.041 1.00 24.30 H new ATOM 0 HA LEU A 76 -0.065 15.089 -10.375 1.00 12.13 H new ATOM 0 HB2 LEU A 76 0.713 12.222 -11.048 1.00 53.11 H new ATOM 0 HB3 LEU A 76 1.814 13.473 -10.507 1.00 53.11 H new ATOM 0 HG LEU A 76 -0.441 12.283 -8.859 1.00 31.52 H new ATOM 0 HD11 LEU A 76 1.414 11.264 -7.540 1.00 14.43 H new ATOM 0 HD12 LEU A 76 1.442 10.706 -9.229 1.00 14.43 H new ATOM 0 HD13 LEU A 76 2.594 11.948 -8.683 1.00 14.43 H new ATOM 0 HD21 LEU A 76 0.632 13.531 -6.984 1.00 63.41 H new ATOM 0 HD22 LEU A 76 1.803 14.228 -8.129 1.00 63.41 H new ATOM 0 HD23 LEU A 76 0.077 14.639 -8.261 1.00 63.41 H new ATOM 1080 N GLU A 77 -0.702 14.567 -13.343 1.00 33.13 N ATOM 1081 CA GLU A 77 -0.479 15.113 -14.668 1.00 62.53 C ATOM 1082 C GLU A 77 0.232 16.449 -14.489 1.00 62.23 C ATOM 1083 O GLU A 77 -0.230 17.306 -13.731 1.00 20.43 O ATOM 1084 CB GLU A 77 -1.802 15.311 -15.429 1.00 51.02 C ATOM 1085 CG GLU A 77 -1.518 15.730 -16.885 1.00 44.42 C ATOM 1086 CD GLU A 77 -2.433 16.837 -17.406 1.00 74.54 C ATOM 1087 OE1 GLU A 77 -2.082 18.036 -17.295 1.00 51.32 O ATOM 1088 OE2 GLU A 77 -3.444 16.506 -18.067 1.00 74.35 O ATOM 0 H GLU A 77 -1.653 14.228 -13.195 1.00 33.13 H new ATOM 0 HA GLU A 77 0.122 14.421 -15.258 1.00 62.53 H new ATOM 0 HB2 GLU A 77 -2.381 14.387 -15.414 1.00 51.02 H new ATOM 0 HB3 GLU A 77 -2.405 16.073 -14.934 1.00 51.02 H new ATOM 0 HG2 GLU A 77 -0.483 16.064 -16.960 1.00 44.42 H new ATOM 0 HG3 GLU A 77 -1.619 14.857 -17.529 1.00 44.42 H new ATOM 1093 N GLY A 78 1.375 16.591 -15.141 1.00 5.02 N ATOM 1094 CA GLY A 78 2.149 17.815 -15.112 1.00 54.55 C ATOM 1095 C GLY A 78 2.995 17.985 -13.852 1.00 51.21 C ATOM 1096 O GLY A 78 3.600 19.043 -13.695 1.00 31.42 O ATOM 0 H GLY A 78 1.792 15.853 -15.708 1.00 5.02 H new ATOM 0 HA2 GLY A 78 2.804 17.839 -15.983 1.00 54.55 H new ATOM 0 HA3 GLY A 78 1.471 18.664 -15.199 1.00 54.55 H new ATOM 1100 N LYS A 79 3.074 16.995 -12.958 1.00 33.12 N ATOM 1101 CA LYS A 79 3.948 17.032 -11.781 1.00 1.23 C ATOM 1102 C LYS A 79 4.840 15.801 -11.668 1.00 52.44 C ATOM 1103 O LYS A 79 5.885 15.900 -11.030 1.00 55.31 O ATOM 1104 CB LYS A 79 3.154 17.177 -10.476 1.00 45.54 C ATOM 1105 CG LYS A 79 2.309 18.457 -10.371 1.00 55.45 C ATOM 1106 CD LYS A 79 0.869 18.250 -10.863 1.00 40.01 C ATOM 1107 CE LYS A 79 -0.209 18.426 -9.800 1.00 54.33 C ATOM 1108 NZ LYS A 79 -0.252 19.813 -9.305 1.00 65.13 N ATOM 0 H LYS A 79 2.528 16.137 -13.031 1.00 33.12 H new ATOM 0 HA LYS A 79 4.577 17.911 -11.926 1.00 1.23 H new ATOM 0 HB2 LYS A 79 2.496 16.315 -10.371 1.00 45.54 H new ATOM 0 HB3 LYS A 79 3.851 17.150 -9.639 1.00 45.54 H new ATOM 0 HG2 LYS A 79 2.291 18.793 -9.334 1.00 55.45 H new ATOM 0 HG3 LYS A 79 2.779 19.248 -10.955 1.00 55.45 H new ATOM 0 HD2 LYS A 79 0.675 18.951 -11.675 1.00 40.01 H new ATOM 0 HD3 LYS A 79 0.785 17.247 -11.281 1.00 40.01 H new ATOM 0 HE2 LYS A 79 -1.180 18.156 -10.215 1.00 54.33 H new ATOM 0 HE3 LYS A 79 -0.018 17.747 -8.969 1.00 54.33 H new ATOM 0 HZ1 LYS A 79 -1.097 19.944 -8.713 1.00 65.13 H new ATOM 0 HZ2 LYS A 79 0.600 20.007 -8.740 1.00 65.13 H new ATOM 0 HZ3 LYS A 79 -0.289 20.468 -10.112 1.00 65.13 H new ATOM 1118 N ALA A 80 4.419 14.643 -12.181 1.00 20.24 N ATOM 1119 CA ALA A 80 5.128 13.385 -12.007 1.00 0.25 C ATOM 1120 C ALA A 80 4.627 12.418 -13.074 1.00 12.01 C ATOM 1121 O ALA A 80 3.499 11.940 -12.977 1.00 42.15 O ATOM 1122 CB ALA A 80 4.869 12.853 -10.590 1.00 52.34 C ATOM 0 H ALA A 80 3.566 14.557 -12.734 1.00 20.24 H new ATOM 0 HA ALA A 80 6.205 13.512 -12.120 1.00 0.25 H new ATOM 0 HB1 ALA A 80 5.398 11.910 -10.453 1.00 52.34 H new ATOM 0 HB2 ALA A 80 5.225 13.578 -9.858 1.00 52.34 H new ATOM 0 HB3 ALA A 80 3.800 12.693 -10.451 1.00 52.34 H new ATOM 1128 N ASP A 81 5.442 12.170 -14.102 1.00 2.35 N ATOM 1129 CA ASP A 81 5.091 11.348 -15.266 1.00 61.11 C ATOM 1130 C ASP A 81 5.431 9.873 -14.996 1.00 20.34 C ATOM 1131 O ASP A 81 5.953 9.541 -13.930 1.00 21.52 O ATOM 1132 CB ASP A 81 5.826 11.831 -16.529 1.00 34.30 C ATOM 1133 CG ASP A 81 5.724 13.335 -16.787 1.00 13.20 C ATOM 1134 OD1 ASP A 81 4.632 13.932 -16.672 1.00 4.40 O ATOM 1135 OD2 ASP A 81 6.776 13.985 -16.972 1.00 33.35 O ATOM 0 H ASP A 81 6.390 12.545 -14.151 1.00 2.35 H new ATOM 0 HA ASP A 81 4.019 11.446 -15.435 1.00 61.11 H new ATOM 0 HB2 ASP A 81 6.879 11.560 -16.447 1.00 34.30 H new ATOM 0 HB3 ASP A 81 5.426 11.299 -17.392 1.00 34.30 H new ATOM 1139 N GLU A 82 5.175 8.965 -15.952 1.00 14.40 N ATOM 1140 CA GLU A 82 5.295 7.508 -15.759 1.00 4.02 C ATOM 1141 C GLU A 82 6.647 7.081 -15.196 1.00 33.13 C ATOM 1142 O GLU A 82 6.693 6.159 -14.378 1.00 41.23 O ATOM 1143 CB GLU A 82 4.980 6.755 -17.063 1.00 0.40 C ATOM 1144 CG GLU A 82 4.944 5.217 -16.902 1.00 63.44 C ATOM 1145 CD GLU A 82 6.219 4.467 -17.321 1.00 42.12 C ATOM 1146 OE1 GLU A 82 6.745 4.765 -18.417 1.00 1.25 O ATOM 1147 OE2 GLU A 82 6.621 3.503 -16.629 1.00 42.25 O ATOM 0 H GLU A 82 4.875 9.224 -16.892 1.00 14.40 H new ATOM 0 HA GLU A 82 4.554 7.238 -15.007 1.00 4.02 H new ATOM 0 HB2 GLU A 82 4.017 7.094 -17.444 1.00 0.40 H new ATOM 0 HB3 GLU A 82 5.728 7.015 -17.812 1.00 0.40 H new ATOM 0 HG2 GLU A 82 4.736 4.985 -15.857 1.00 63.44 H new ATOM 0 HG3 GLU A 82 4.109 4.830 -17.486 1.00 63.44 H new ATOM 1152 N GLU A 83 7.687 7.837 -15.558 1.00 54.31 N ATOM 1153 CA GLU A 83 9.063 7.742 -15.102 1.00 12.35 C ATOM 1154 C GLU A 83 9.159 7.561 -13.585 1.00 23.15 C ATOM 1155 O GLU A 83 10.043 6.858 -13.094 1.00 4.20 O ATOM 1156 CB GLU A 83 9.743 9.061 -15.498 1.00 51.01 C ATOM 1157 CG GLU A 83 11.257 9.026 -15.259 1.00 45.05 C ATOM 1158 CD GLU A 83 11.945 10.365 -15.524 1.00 44.31 C ATOM 1159 OE1 GLU A 83 11.294 11.324 -15.999 1.00 1.14 O ATOM 1160 OE2 GLU A 83 13.141 10.479 -15.164 1.00 0.30 O ATOM 0 H GLU A 83 7.571 8.592 -16.234 1.00 54.31 H new ATOM 0 HA GLU A 83 9.540 6.872 -15.554 1.00 12.35 H new ATOM 0 HB2 GLU A 83 9.548 9.267 -16.550 1.00 51.01 H new ATOM 0 HB3 GLU A 83 9.305 9.879 -14.926 1.00 51.01 H new ATOM 0 HG2 GLU A 83 11.448 8.726 -14.229 1.00 45.05 H new ATOM 0 HG3 GLU A 83 11.701 8.265 -15.900 1.00 45.05 H new ATOM 1165 N THR A 84 8.267 8.205 -12.835 1.00 44.45 N ATOM 1166 CA THR A 84 8.188 8.087 -11.395 1.00 61.34 C ATOM 1167 C THR A 84 6.956 7.273 -11.028 1.00 73.31 C ATOM 1168 O THR A 84 7.076 6.358 -10.227 1.00 53.11 O ATOM 1169 CB THR A 84 8.312 9.488 -10.778 1.00 1.03 C ATOM 1170 OG1 THR A 84 8.614 9.456 -9.393 1.00 33.24 O ATOM 1171 CG2 THR A 84 7.136 10.430 -10.990 1.00 15.32 C ATOM 0 H THR A 84 7.567 8.835 -13.228 1.00 44.45 H new ATOM 0 HA THR A 84 9.015 7.524 -10.963 1.00 61.34 H new ATOM 0 HB THR A 84 9.147 9.899 -11.346 1.00 1.03 H new ATOM 0 HG1 THR A 84 8.683 10.372 -9.052 1.00 33.24 H new ATOM 0 HG21 THR A 84 7.344 11.385 -10.508 1.00 15.32 H new ATOM 0 HG22 THR A 84 6.984 10.588 -12.058 1.00 15.32 H new ATOM 0 HG23 THR A 84 6.237 9.993 -10.556 1.00 15.32 H new ATOM 1179 N ILE A 85 5.798 7.506 -11.647 1.00 12.04 N ATOM 1180 CA ILE A 85 4.536 6.886 -11.212 1.00 21.51 C ATOM 1181 C ILE A 85 4.653 5.372 -11.059 1.00 53.25 C ATOM 1182 O ILE A 85 4.426 4.837 -9.969 1.00 64.44 O ATOM 1183 CB ILE A 85 3.355 7.211 -12.151 1.00 62.42 C ATOM 1184 CG1 ILE A 85 3.179 8.717 -12.382 1.00 21.12 C ATOM 1185 CG2 ILE A 85 2.034 6.641 -11.584 1.00 11.40 C ATOM 1186 CD1 ILE A 85 2.317 8.998 -13.631 1.00 0.00 C ATOM 0 H ILE A 85 5.703 8.121 -12.455 1.00 12.04 H new ATOM 0 HA ILE A 85 4.331 7.324 -10.235 1.00 21.51 H new ATOM 0 HB ILE A 85 3.591 6.744 -13.107 1.00 62.42 H new ATOM 0 HG12 ILE A 85 2.712 9.169 -11.507 1.00 21.12 H new ATOM 0 HG13 ILE A 85 4.156 9.185 -12.500 1.00 21.12 H new ATOM 0 HG21 ILE A 85 1.214 6.881 -12.261 1.00 11.40 H new ATOM 0 HG22 ILE A 85 2.118 5.559 -11.485 1.00 11.40 H new ATOM 0 HG23 ILE A 85 1.838 7.081 -10.606 1.00 11.40 H new ATOM 0 HD11 ILE A 85 2.212 10.075 -13.766 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.798 8.567 -14.509 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.332 8.551 -13.501 1.00 0.00 H new ATOM 1197 N ARG A 86 4.940 4.666 -12.155 1.00 44.31 N ATOM 1198 CA ARG A 86 5.031 3.215 -12.090 1.00 54.33 C ATOM 1199 C ARG A 86 6.275 2.819 -11.311 1.00 40.43 C ATOM 1200 O ARG A 86 6.244 1.784 -10.653 1.00 4.02 O ATOM 1201 CB ARG A 86 5.052 2.607 -13.493 1.00 4.24 C ATOM 1202 CG ARG A 86 3.667 2.580 -14.128 1.00 14.25 C ATOM 1203 CD ARG A 86 3.660 1.866 -15.479 1.00 53.33 C ATOM 1204 NE ARG A 86 3.936 0.428 -15.353 1.00 20.52 N ATOM 1205 CZ ARG A 86 3.077 -0.556 -15.055 1.00 52.43 C ATOM 1206 NH1 ARG A 86 1.763 -0.354 -14.963 1.00 11.35 N ATOM 1207 NH2 ARG A 86 3.563 -1.764 -14.820 1.00 25.10 N ATOM 0 H ARG A 86 5.109 5.069 -13.077 1.00 44.31 H new ATOM 0 HA ARG A 86 4.151 2.828 -11.576 1.00 54.33 H new ATOM 0 HB2 ARG A 86 5.729 3.181 -14.126 1.00 4.24 H new ATOM 0 HB3 ARG A 86 5.446 1.592 -13.442 1.00 4.24 H new ATOM 0 HG2 ARG A 86 2.970 2.082 -13.453 1.00 14.25 H new ATOM 0 HG3 ARG A 86 3.310 3.602 -14.258 1.00 14.25 H new ATOM 0 HD2 ARG A 86 2.690 2.007 -15.956 1.00 53.33 H new ATOM 0 HD3 ARG A 86 4.406 2.321 -16.131 1.00 53.33 H new ATOM 0 HE ARG A 86 4.902 0.144 -15.512 1.00 20.52 H new ATOM 0 HH11 ARG A 86 1.378 0.577 -15.122 1.00 11.35 H new ATOM 0 HH12 ARG A 86 1.142 -1.130 -14.734 1.00 11.35 H new ATOM 0 HH21 ARG A 86 4.569 -1.927 -14.868 1.00 25.10 H new ATOM 0 HH22 ARG A 86 2.932 -2.532 -14.591 1.00 25.10 H new ATOM 1218 N ALA A 87 7.317 3.653 -11.314 1.00 60.13 N ATOM 1219 CA ALA A 87 8.528 3.374 -10.549 1.00 74.13 C ATOM 1220 C ALA A 87 8.195 3.255 -9.062 1.00 33.42 C ATOM 1221 O ALA A 87 8.446 2.218 -8.467 1.00 11.43 O ATOM 1222 CB ALA A 87 9.635 4.394 -10.829 1.00 24.13 C ATOM 0 H ALA A 87 7.344 4.527 -11.839 1.00 60.13 H new ATOM 0 HA ALA A 87 8.928 2.414 -10.876 1.00 74.13 H new ATOM 0 HB1 ALA A 87 10.516 4.146 -10.238 1.00 24.13 H new ATOM 0 HB2 ALA A 87 9.891 4.372 -11.888 1.00 24.13 H new ATOM 0 HB3 ALA A 87 9.287 5.391 -10.561 1.00 24.13 H new ATOM 1228 N LYS A 88 7.547 4.256 -8.467 1.00 73.33 N ATOM 1229 CA LYS A 88 7.092 4.252 -7.072 1.00 25.24 C ATOM 1230 C LYS A 88 6.158 3.073 -6.828 1.00 0.21 C ATOM 1231 O LYS A 88 6.246 2.412 -5.794 1.00 13.40 O ATOM 1232 CB LYS A 88 6.373 5.561 -6.707 1.00 65.11 C ATOM 1233 CG LYS A 88 7.165 6.857 -6.932 1.00 12.03 C ATOM 1234 CD LYS A 88 8.459 7.027 -6.130 1.00 22.31 C ATOM 1235 CE LYS A 88 8.849 8.513 -6.190 1.00 35.41 C ATOM 1236 NZ LYS A 88 10.307 8.756 -6.206 1.00 52.05 N ATOM 0 H LYS A 88 7.316 5.121 -8.956 1.00 73.33 H new ATOM 0 HA LYS A 88 7.974 4.160 -6.439 1.00 25.24 H new ATOM 0 HB2 LYS A 88 5.451 5.618 -7.286 1.00 65.11 H new ATOM 0 HB3 LYS A 88 6.087 5.513 -5.656 1.00 65.11 H new ATOM 0 HG2 LYS A 88 7.411 6.924 -7.992 1.00 12.03 H new ATOM 0 HG3 LYS A 88 6.511 7.698 -6.703 1.00 12.03 H new ATOM 0 HD2 LYS A 88 8.314 6.710 -5.097 1.00 22.31 H new ATOM 0 HD3 LYS A 88 9.252 6.406 -6.546 1.00 22.31 H new ATOM 0 HE2 LYS A 88 8.408 8.957 -7.082 1.00 35.41 H new ATOM 0 HE3 LYS A 88 8.416 9.026 -5.331 1.00 35.41 H new ATOM 0 HZ1 LYS A 88 10.488 9.779 -6.247 1.00 52.05 H new ATOM 0 HZ2 LYS A 88 10.734 8.363 -5.343 1.00 52.05 H new ATOM 0 HZ3 LYS A 88 10.726 8.297 -7.040 1.00 52.05 H new ATOM 1246 N MET A 89 5.255 2.800 -7.773 1.00 64.22 N ATOM 1247 CA MET A 89 4.316 1.688 -7.687 1.00 63.44 C ATOM 1248 C MET A 89 5.064 0.357 -7.508 1.00 34.42 C ATOM 1249 O MET A 89 4.693 -0.426 -6.632 1.00 42.11 O ATOM 1250 CB MET A 89 3.344 1.761 -8.878 1.00 21.31 C ATOM 1251 CG MET A 89 2.031 1.002 -8.665 1.00 13.40 C ATOM 1252 SD MET A 89 1.967 -0.661 -9.372 1.00 1.04 S ATOM 1253 CE MET A 89 1.802 -0.271 -11.140 1.00 73.44 C ATOM 0 H MET A 89 5.157 3.352 -8.625 1.00 64.22 H new ATOM 0 HA MET A 89 3.694 1.757 -6.794 1.00 63.44 H new ATOM 0 HB2 MET A 89 3.117 2.807 -9.083 1.00 21.31 H new ATOM 0 HB3 MET A 89 3.841 1.363 -9.763 1.00 21.31 H new ATOM 0 HG2 MET A 89 1.844 0.929 -7.594 1.00 13.40 H new ATOM 0 HG3 MET A 89 1.219 1.590 -9.092 1.00 13.40 H new ATOM 0 HE1 MET A 89 1.732 -1.196 -11.712 1.00 73.44 H new ATOM 0 HE2 MET A 89 0.902 0.323 -11.299 1.00 73.44 H new ATOM 0 HE3 MET A 89 2.673 0.294 -11.471 1.00 73.44 H new ATOM 1261 N VAL A 90 6.154 0.129 -8.249 1.00 45.32 N ATOM 1262 CA VAL A 90 7.037 -1.027 -8.096 1.00 65.14 C ATOM 1263 C VAL A 90 7.891 -0.921 -6.827 1.00 60.14 C ATOM 1264 O VAL A 90 7.985 -1.889 -6.075 1.00 54.05 O ATOM 1265 CB VAL A 90 7.940 -1.167 -9.336 1.00 42.05 C ATOM 1266 CG1 VAL A 90 8.940 -2.327 -9.132 1.00 32.53 C ATOM 1267 CG2 VAL A 90 7.111 -1.471 -10.594 1.00 20.41 C ATOM 0 H VAL A 90 6.452 0.762 -8.991 1.00 45.32 H new ATOM 0 HA VAL A 90 6.413 -1.916 -8.001 1.00 65.14 H new ATOM 0 HB VAL A 90 8.467 -0.222 -9.467 1.00 42.05 H new ATOM 0 HG11 VAL A 90 9.575 -2.419 -10.013 1.00 32.53 H new ATOM 0 HG12 VAL A 90 9.559 -2.124 -8.258 1.00 32.53 H new ATOM 0 HG13 VAL A 90 8.392 -3.257 -8.980 1.00 32.53 H new ATOM 0 HG21 VAL A 90 7.775 -1.564 -11.453 1.00 20.41 H new ATOM 0 HG22 VAL A 90 6.566 -2.404 -10.454 1.00 20.41 H new ATOM 0 HG23 VAL A 90 6.404 -0.660 -10.768 1.00 20.41 H new ATOM 1277 N GLU A 91 8.522 0.225 -6.575 1.00 11.30 N ATOM 1278 CA GLU A 91 9.475 0.492 -5.492 1.00 72.13 C ATOM 1279 C GLU A 91 8.824 0.313 -4.115 1.00 52.24 C ATOM 1280 O GLU A 91 9.507 0.156 -3.109 1.00 13.25 O ATOM 1281 CB GLU A 91 10.010 1.926 -5.673 1.00 21.20 C ATOM 1282 CG GLU A 91 11.173 2.363 -4.770 1.00 3.25 C ATOM 1283 CD GLU A 91 12.513 1.748 -5.170 1.00 3.02 C ATOM 1284 OE1 GLU A 91 12.699 0.519 -5.022 1.00 63.31 O ATOM 1285 OE2 GLU A 91 13.391 2.501 -5.648 1.00 20.33 O ATOM 0 H GLU A 91 8.373 1.048 -7.159 1.00 11.30 H new ATOM 0 HA GLU A 91 10.297 -0.222 -5.540 1.00 72.13 H new ATOM 0 HB2 GLU A 91 10.327 2.039 -6.710 1.00 21.20 H new ATOM 0 HB3 GLU A 91 9.182 2.617 -5.515 1.00 21.20 H new ATOM 0 HG2 GLU A 91 11.257 3.449 -4.798 1.00 3.25 H new ATOM 0 HG3 GLU A 91 10.948 2.087 -3.740 1.00 3.25 H new ATOM 1290 N LEU A 92 7.493 0.270 -4.052 1.00 32.41 N ATOM 1291 CA LEU A 92 6.734 0.051 -2.831 1.00 15.54 C ATOM 1292 C LEU A 92 6.101 -1.330 -2.797 1.00 55.15 C ATOM 1293 O LEU A 92 5.536 -1.722 -1.780 1.00 12.31 O ATOM 1294 CB LEU A 92 5.669 1.146 -2.717 1.00 4.41 C ATOM 1295 CG LEU A 92 6.310 2.517 -2.419 1.00 43.03 C ATOM 1296 CD1 LEU A 92 5.256 3.608 -2.546 1.00 41.33 C ATOM 1297 CD2 LEU A 92 6.909 2.534 -1.013 1.00 24.42 C ATOM 0 H LEU A 92 6.901 0.390 -4.874 1.00 32.41 H new ATOM 0 HA LEU A 92 7.411 0.101 -1.978 1.00 15.54 H new ATOM 0 HB2 LEU A 92 5.100 1.202 -3.645 1.00 4.41 H new ATOM 0 HB3 LEU A 92 4.964 0.891 -1.925 1.00 4.41 H new ATOM 0 HG LEU A 92 7.110 2.697 -3.137 1.00 43.03 H new ATOM 0 HD11 LEU A 92 5.708 4.577 -2.336 1.00 41.33 H new ATOM 0 HD12 LEU A 92 4.853 3.608 -3.559 1.00 41.33 H new ATOM 0 HD13 LEU A 92 4.451 3.421 -1.835 1.00 41.33 H new ATOM 0 HD21 LEU A 92 7.357 3.509 -0.820 1.00 24.42 H new ATOM 0 HD22 LEU A 92 6.124 2.344 -0.281 1.00 24.42 H new ATOM 0 HD23 LEU A 92 7.674 1.761 -0.934 1.00 24.42 H new ATOM 1308 N ARG A 93 6.164 -2.086 -3.890 1.00 21.44 N ATOM 1309 CA ARG A 93 5.475 -3.354 -4.040 1.00 73.44 C ATOM 1310 C ARG A 93 6.158 -4.417 -3.197 1.00 14.42 C ATOM 1311 O ARG A 93 5.542 -4.937 -2.261 1.00 60.12 O ATOM 1312 CB ARG A 93 5.399 -3.691 -5.547 1.00 51.03 C ATOM 1313 CG ARG A 93 4.042 -4.263 -5.963 1.00 53.52 C ATOM 1314 CD ARG A 93 2.901 -3.269 -5.673 1.00 71.14 C ATOM 1315 NE ARG A 93 1.947 -3.871 -4.730 1.00 61.14 N ATOM 1316 CZ ARG A 93 0.879 -4.606 -5.052 1.00 60.34 C ATOM 1317 NH1 ARG A 93 0.420 -4.692 -6.295 1.00 62.45 N ATOM 1318 NH2 ARG A 93 0.269 -5.280 -4.090 1.00 21.11 N ATOM 0 H ARG A 93 6.709 -1.824 -4.711 1.00 21.44 H new ATOM 0 HA ARG A 93 4.451 -3.303 -3.670 1.00 73.44 H new ATOM 0 HB2 ARG A 93 5.600 -2.790 -6.126 1.00 51.03 H new ATOM 0 HB3 ARG A 93 6.181 -4.409 -5.793 1.00 51.03 H new ATOM 0 HG2 ARG A 93 4.057 -4.502 -7.026 1.00 53.52 H new ATOM 0 HG3 ARG A 93 3.859 -5.195 -5.429 1.00 53.52 H new ATOM 0 HD2 ARG A 93 3.306 -2.347 -5.256 1.00 71.14 H new ATOM 0 HD3 ARG A 93 2.393 -3.004 -6.600 1.00 71.14 H new ATOM 0 HE ARG A 93 2.117 -3.713 -3.737 1.00 61.14 H new ATOM 0 HH11 ARG A 93 0.887 -4.185 -7.047 1.00 62.45 H new ATOM 0 HH12 ARG A 93 -0.399 -5.265 -6.498 1.00 62.45 H new ATOM 0 HH21 ARG A 93 0.617 -5.230 -3.132 1.00 21.11 H new ATOM 0 HH22 ARG A 93 -0.549 -5.850 -4.306 1.00 21.11 H new ATOM 1329 N ALA A 94 7.419 -4.711 -3.503 1.00 3.12 N ATOM 1330 CA ALA A 94 8.268 -5.628 -2.761 1.00 41.14 C ATOM 1331 C ALA A 94 8.650 -5.015 -1.405 1.00 42.53 C ATOM 1332 O ALA A 94 8.783 -5.724 -0.412 1.00 22.30 O ATOM 1333 CB ALA A 94 9.496 -5.958 -3.627 1.00 25.11 C ATOM 0 H ALA A 94 7.892 -4.299 -4.307 1.00 3.12 H new ATOM 0 HA ALA A 94 7.741 -6.557 -2.544 1.00 41.14 H new ATOM 0 HB1 ALA A 94 10.147 -6.646 -3.088 1.00 25.11 H new ATOM 0 HB2 ALA A 94 9.170 -6.421 -4.558 1.00 25.11 H new ATOM 0 HB3 ALA A 94 10.042 -5.041 -3.849 1.00 25.11 H new ATOM 1339 N THR A 95 8.786 -3.690 -1.314 1.00 31.14 N ATOM 1340 CA THR A 95 9.102 -3.042 -0.042 1.00 51.34 C ATOM 1341 C THR A 95 7.970 -3.257 0.948 1.00 62.42 C ATOM 1342 O THR A 95 8.235 -3.780 2.021 1.00 11.40 O ATOM 1343 CB THR A 95 9.420 -1.558 -0.221 1.00 75.11 C ATOM 1344 OG1 THR A 95 10.367 -1.441 -1.269 1.00 55.44 O ATOM 1345 CG2 THR A 95 10.035 -0.934 1.030 1.00 32.13 C ATOM 0 H THR A 95 8.683 -3.050 -2.101 1.00 31.14 H new ATOM 0 HA THR A 95 10.004 -3.504 0.360 1.00 51.34 H new ATOM 0 HB THR A 95 8.486 -1.038 -0.434 1.00 75.11 H new ATOM 0 HG1 THR A 95 10.133 -0.678 -1.838 1.00 55.44 H new ATOM 0 HG21 THR A 95 10.241 0.121 0.847 1.00 32.13 H new ATOM 0 HG22 THR A 95 9.339 -1.029 1.864 1.00 32.13 H new ATOM 0 HG23 THR A 95 10.965 -1.448 1.274 1.00 32.13 H new ATOM 1353 N ALA A 96 6.720 -2.922 0.594 1.00 32.52 N ATOM 1354 CA ALA A 96 5.589 -3.135 1.485 1.00 12.15 C ATOM 1355 C ALA A 96 5.492 -4.606 1.889 1.00 72.54 C ATOM 1356 O ALA A 96 5.181 -4.888 3.040 1.00 4.13 O ATOM 1357 CB ALA A 96 4.286 -2.690 0.835 1.00 62.23 C ATOM 0 H ALA A 96 6.476 -2.504 -0.304 1.00 32.52 H new ATOM 0 HA ALA A 96 5.753 -2.531 2.378 1.00 12.15 H new ATOM 0 HB1 ALA A 96 3.459 -2.861 1.524 1.00 62.23 H new ATOM 0 HB2 ALA A 96 4.344 -1.629 0.594 1.00 62.23 H new ATOM 0 HB3 ALA A 96 4.121 -3.261 -0.079 1.00 62.23 H new ATOM 1363 N ARG A 97 5.767 -5.540 0.964 1.00 20.23 N ATOM 1364 CA ARG A 97 5.780 -6.965 1.281 1.00 71.13 C ATOM 1365 C ARG A 97 6.679 -7.216 2.484 1.00 31.13 C ATOM 1366 O ARG A 97 6.185 -7.634 3.526 1.00 14.45 O ATOM 1367 CB ARG A 97 6.213 -7.828 0.082 1.00 62.41 C ATOM 1368 CG ARG A 97 5.087 -8.078 -0.922 1.00 61.45 C ATOM 1369 CD ARG A 97 5.593 -8.982 -2.054 1.00 54.01 C ATOM 1370 NE ARG A 97 4.625 -9.066 -3.160 1.00 63.31 N ATOM 1371 CZ ARG A 97 4.872 -9.576 -4.374 1.00 23.24 C ATOM 1372 NH1 ARG A 97 6.056 -10.128 -4.634 1.00 3.34 N ATOM 1373 NH2 ARG A 97 3.950 -9.508 -5.330 1.00 12.53 N ATOM 0 H ARG A 97 5.983 -5.326 -0.010 1.00 20.23 H new ATOM 0 HA ARG A 97 4.760 -7.261 1.525 1.00 71.13 H new ATOM 0 HB2 ARG A 97 7.043 -7.339 -0.428 1.00 62.41 H new ATOM 0 HB3 ARG A 97 6.584 -8.786 0.448 1.00 62.41 H new ATOM 0 HG2 ARG A 97 4.239 -8.545 -0.422 1.00 61.45 H new ATOM 0 HG3 ARG A 97 4.734 -7.131 -1.330 1.00 61.45 H new ATOM 0 HD2 ARG A 97 6.542 -8.598 -2.429 1.00 54.01 H new ATOM 0 HD3 ARG A 97 5.786 -9.981 -1.663 1.00 54.01 H new ATOM 0 HE ARG A 97 3.687 -8.705 -2.987 1.00 63.31 H new ATOM 0 HH11 ARG A 97 6.773 -10.162 -3.909 1.00 3.34 H new ATOM 0 HH12 ARG A 97 6.246 -10.517 -5.558 1.00 3.34 H new ATOM 0 HH21 ARG A 97 3.050 -9.066 -5.140 1.00 12.53 H new ATOM 0 HH22 ARG A 97 4.142 -9.898 -6.253 1.00 12.53 H new ATOM 1384 N GLU A 98 7.975 -6.934 2.370 1.00 62.24 N ATOM 1385 CA GLU A 98 8.910 -7.237 3.427 1.00 12.52 C ATOM 1386 C GLU A 98 8.646 -6.390 4.672 1.00 13.20 C ATOM 1387 O GLU A 98 8.788 -6.866 5.803 1.00 53.05 O ATOM 1388 CB GLU A 98 10.319 -7.035 2.865 1.00 1.02 C ATOM 1389 CG GLU A 98 11.367 -7.535 3.856 1.00 51.53 C ATOM 1390 CD GLU A 98 11.255 -9.037 4.175 1.00 3.10 C ATOM 1391 OE1 GLU A 98 10.623 -9.801 3.404 1.00 4.23 O ATOM 1392 OE2 GLU A 98 11.759 -9.452 5.242 1.00 64.12 O ATOM 0 H GLU A 98 8.393 -6.495 1.550 1.00 62.24 H new ATOM 0 HA GLU A 98 8.794 -8.270 3.756 1.00 12.52 H new ATOM 0 HB2 GLU A 98 10.420 -7.569 1.920 1.00 1.02 H new ATOM 0 HB3 GLU A 98 10.485 -5.979 2.654 1.00 1.02 H new ATOM 0 HG2 GLU A 98 12.360 -7.332 3.454 1.00 51.53 H new ATOM 0 HG3 GLU A 98 11.276 -6.969 4.783 1.00 51.53 H new ATOM 1397 N GLN A 99 8.219 -5.141 4.468 1.00 32.51 N ATOM 1398 CA GLN A 99 7.911 -4.231 5.544 1.00 5.11 C ATOM 1399 C GLN A 99 6.814 -4.778 6.465 1.00 33.32 C ATOM 1400 O GLN A 99 6.740 -4.314 7.595 1.00 20.31 O ATOM 1401 CB GLN A 99 7.562 -2.827 5.010 1.00 60.24 C ATOM 1402 CG GLN A 99 8.792 -1.919 4.849 1.00 21.15 C ATOM 1403 CD GLN A 99 8.539 -0.530 5.429 1.00 52.31 C ATOM 1404 OE1 GLN A 99 8.668 -0.342 6.636 1.00 4.30 O ATOM 1405 NE2 GLN A 99 8.195 0.465 4.629 1.00 13.40 N ATOM 0 H GLN A 99 8.080 -4.742 3.540 1.00 32.51 H new ATOM 0 HA GLN A 99 8.811 -4.136 6.151 1.00 5.11 H new ATOM 0 HB2 GLN A 99 7.062 -2.925 4.046 1.00 60.24 H new ATOM 0 HB3 GLN A 99 6.854 -2.352 5.689 1.00 60.24 H new ATOM 0 HG2 GLN A 99 9.649 -2.373 5.348 1.00 21.15 H new ATOM 0 HG3 GLN A 99 9.047 -1.833 3.793 1.00 21.15 H new ATOM 0 HE21 GLN A 99 8.090 0.301 3.628 1.00 13.40 H new ATOM 0 HE22 GLN A 99 8.035 1.396 5.013 1.00 13.40 H new ATOM 1412 N ILE A 100 5.986 -5.748 6.055 1.00 13.13 N ATOM 1413 CA ILE A 100 5.010 -6.382 6.947 1.00 31.13 C ATOM 1414 C ILE A 100 5.678 -6.996 8.172 1.00 61.44 C ATOM 1415 O ILE A 100 5.246 -6.736 9.295 1.00 21.15 O ATOM 1416 CB ILE A 100 4.161 -7.418 6.167 1.00 42.41 C ATOM 1417 CG1 ILE A 100 3.175 -6.742 5.186 1.00 20.32 C ATOM 1418 CG2 ILE A 100 3.407 -8.420 7.064 1.00 5.22 C ATOM 1419 CD1 ILE A 100 2.307 -5.647 5.815 1.00 22.43 C ATOM 0 H ILE A 100 5.974 -6.112 5.102 1.00 13.13 H new ATOM 0 HA ILE A 100 4.337 -5.609 7.319 1.00 31.13 H new ATOM 0 HB ILE A 100 4.892 -7.993 5.598 1.00 42.41 H new ATOM 0 HG12 ILE A 100 3.741 -6.310 4.361 1.00 20.32 H new ATOM 0 HG13 ILE A 100 2.524 -7.506 4.761 1.00 20.32 H new ATOM 0 HG21 ILE A 100 2.838 -9.109 6.441 1.00 5.22 H new ATOM 0 HG22 ILE A 100 4.123 -8.981 7.665 1.00 5.22 H new ATOM 0 HG23 ILE A 100 2.726 -7.879 7.722 1.00 5.22 H new ATOM 0 HD11 ILE A 100 1.646 -5.227 5.057 1.00 22.43 H new ATOM 0 HD12 ILE A 100 1.710 -6.074 6.621 1.00 22.43 H new ATOM 0 HD13 ILE A 100 2.947 -4.860 6.215 1.00 22.43 H new ATOM 1430 N ILE A 101 6.680 -7.843 7.963 1.00 2.33 N ATOM 1431 CA ILE A 101 7.382 -8.522 9.032 1.00 0.24 C ATOM 1432 C ILE A 101 8.359 -7.552 9.685 1.00 11.53 C ATOM 1433 O ILE A 101 8.543 -7.604 10.896 1.00 2.04 O ATOM 1434 CB ILE A 101 8.080 -9.750 8.430 1.00 71.34 C ATOM 1435 CG1 ILE A 101 7.022 -10.709 7.839 1.00 13.10 C ATOM 1436 CG2 ILE A 101 9.001 -10.451 9.441 1.00 35.13 C ATOM 1437 CD1 ILE A 101 6.127 -11.412 8.872 1.00 34.40 C ATOM 0 H ILE A 101 7.027 -8.076 7.033 1.00 2.33 H new ATOM 0 HA ILE A 101 6.702 -8.862 9.813 1.00 0.24 H new ATOM 0 HB ILE A 101 8.732 -9.415 7.623 1.00 71.34 H new ATOM 0 HG12 ILE A 101 6.387 -10.147 7.155 1.00 13.10 H new ATOM 0 HG13 ILE A 101 7.533 -11.469 7.248 1.00 13.10 H new ATOM 0 HG21 ILE A 101 9.471 -11.313 8.968 1.00 35.13 H new ATOM 0 HG22 ILE A 101 9.771 -9.755 9.775 1.00 35.13 H new ATOM 0 HG23 ILE A 101 8.415 -10.783 10.298 1.00 35.13 H new ATOM 0 HD11 ILE A 101 5.419 -12.062 8.358 1.00 34.40 H new ATOM 0 HD12 ILE A 101 6.745 -12.008 9.543 1.00 34.40 H new ATOM 0 HD13 ILE A 101 5.581 -10.665 9.449 1.00 34.40 H new ATOM 1448 N SER A 102 8.970 -6.669 8.895 1.00 13.05 N ATOM 1449 CA SER A 102 9.949 -5.717 9.398 1.00 14.25 C ATOM 1450 C SER A 102 9.298 -4.686 10.341 1.00 54.04 C ATOM 1451 O SER A 102 9.987 -4.079 11.157 1.00 62.41 O ATOM 1452 CB SER A 102 10.614 -5.063 8.184 1.00 73.22 C ATOM 1453 OG SER A 102 11.837 -4.434 8.491 1.00 15.35 O ATOM 0 H SER A 102 8.798 -6.597 7.892 1.00 13.05 H new ATOM 0 HA SER A 102 10.704 -6.222 10.000 1.00 14.25 H new ATOM 0 HB2 SER A 102 10.785 -5.821 7.420 1.00 73.22 H new ATOM 0 HB3 SER A 102 9.932 -4.328 7.757 1.00 73.22 H new ATOM 0 HG SER A 102 12.214 -4.037 7.678 1.00 15.35 H new ATOM 1458 N GLU A 103 7.983 -4.468 10.232 1.00 14.41 N ATOM 1459 CA GLU A 103 7.201 -3.576 11.084 1.00 55.52 C ATOM 1460 C GLU A 103 6.804 -4.238 12.421 1.00 60.42 C ATOM 1461 O GLU A 103 6.380 -3.555 13.355 1.00 13.42 O ATOM 1462 CB GLU A 103 5.987 -3.152 10.241 1.00 61.13 C ATOM 1463 CG GLU A 103 4.900 -2.409 11.000 1.00 4.03 C ATOM 1464 CD GLU A 103 3.870 -1.806 10.040 1.00 45.01 C ATOM 1465 OE1 GLU A 103 3.280 -2.499 9.176 1.00 14.51 O ATOM 1466 OE2 GLU A 103 3.674 -0.571 10.080 1.00 14.32 O ATOM 0 H GLU A 103 7.416 -4.927 9.519 1.00 14.41 H new ATOM 0 HA GLU A 103 7.783 -2.706 11.387 1.00 55.52 H new ATOM 0 HB2 GLU A 103 6.335 -2.519 9.424 1.00 61.13 H new ATOM 0 HB3 GLU A 103 5.549 -4.042 9.790 1.00 61.13 H new ATOM 0 HG2 GLU A 103 4.403 -3.091 11.690 1.00 4.03 H new ATOM 0 HG3 GLU A 103 5.348 -1.618 11.601 1.00 4.03 H new ATOM 1471 N ILE A 104 6.867 -5.566 12.509 1.00 33.31 N ATOM 1472 CA ILE A 104 6.793 -6.299 13.775 1.00 55.44 C ATOM 1473 C ILE A 104 8.103 -6.066 14.537 1.00 51.21 C ATOM 1474 O ILE A 104 8.056 -6.031 15.789 1.00 14.30 O ATOM 1475 CB ILE A 104 6.514 -7.812 13.554 1.00 3.31 C ATOM 1476 CG1 ILE A 104 5.402 -8.104 12.521 1.00 11.31 C ATOM 1477 CG2 ILE A 104 6.134 -8.481 14.887 1.00 15.14 C ATOM 1478 CD1 ILE A 104 5.239 -9.589 12.170 1.00 43.32 C ATOM 0 H ILE A 104 6.972 -6.171 11.695 1.00 33.31 H new ATOM 0 HA ILE A 104 5.954 -5.928 14.364 1.00 55.44 H new ATOM 0 HB ILE A 104 7.440 -8.224 13.154 1.00 3.31 H new ATOM 0 HG12 ILE A 104 4.455 -7.728 12.908 1.00 11.31 H new ATOM 0 HG13 ILE A 104 5.616 -7.548 11.608 1.00 11.31 H new ATOM 0 HG21 ILE A 104 5.941 -9.541 14.720 1.00 15.14 H new ATOM 0 HG22 ILE A 104 6.953 -8.369 15.597 1.00 15.14 H new ATOM 0 HG23 ILE A 104 5.238 -8.008 15.289 1.00 15.14 H new ATOM 0 HD11 ILE A 104 4.438 -9.704 11.439 1.00 43.32 H new ATOM 0 HD12 ILE A 104 6.171 -9.968 11.750 1.00 43.32 H new ATOM 0 HD13 ILE A 104 4.992 -10.151 13.071 1.00 43.32 H new