USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.68) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -4.34! (180deg=-5.92!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 70:sc= 0.707 USER MOD Single : A 36 MET CE :methyl -154:sc= -0.997 (180deg=-3.31!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= 0.871 (180deg=0.558) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -155:sc= -0.11 (180deg=-1.17) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -2.37 (180deg=-2.68!) USER MOD Single : A 58 GLN : amide:sc= -0.748 K(o=-0.75,f=-2.8!) USER MOD Single : A 59 TYR OH : rot -143:sc= 0.908 USER MOD Single : A 61 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.17) USER MOD Single : A 69 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=-0.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -89:sc= 0.254 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 83 ASN : amide:sc= -0.336 K(o=-0.34,f=-11!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 91 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 170 N LEU A 10 64.807 0.290 -13.984 1.00 0.00 N ATOM 171 CA LEU A 10 65.833 -0.187 -14.908 1.00 0.00 C ATOM 172 C LEU A 10 67.216 0.276 -14.453 1.00 0.00 C ATOM 173 O LEU A 10 67.421 1.452 -14.153 1.00 0.00 O ATOM 174 CB LEU A 10 65.556 0.342 -16.320 1.00 0.00 C ATOM 175 CG LEU A 10 66.548 -0.282 -17.306 1.00 0.00 C ATOM 176 CD1 LEU A 10 66.277 -1.784 -17.437 1.00 0.00 C ATOM 177 CD2 LEU A 10 66.388 0.385 -18.676 1.00 0.00 C ATOM 0 HA LEU A 10 65.808 -1.277 -14.918 1.00 0.00 H new ATOM 0 HB2 LEU A 10 64.535 0.102 -16.615 1.00 0.00 H new ATOM 0 HB3 LEU A 10 65.646 1.428 -16.336 1.00 0.00 H new ATOM 0 HG LEU A 10 67.563 -0.131 -16.939 1.00 0.00 H new ATOM 0 HD11 LEU A 10 66.986 -2.222 -18.140 1.00 0.00 H new ATOM 0 HD12 LEU A 10 66.390 -2.260 -16.463 1.00 0.00 H new ATOM 0 HD13 LEU A 10 65.262 -1.940 -17.801 1.00 0.00 H new ATOM 0 HD21 LEU A 10 67.093 -0.057 -19.380 1.00 0.00 H new ATOM 0 HD22 LEU A 10 65.371 0.234 -19.038 1.00 0.00 H new ATOM 0 HD23 LEU A 10 66.586 1.453 -18.586 1.00 0.00 H new ATOM 189 N VAL A 11 68.159 -0.660 -14.399 1.00 0.00 N ATOM 190 CA VAL A 11 69.519 -0.343 -13.974 1.00 0.00 C ATOM 191 C VAL A 11 70.497 -0.529 -15.127 1.00 0.00 C ATOM 192 O VAL A 11 70.438 -1.524 -15.849 1.00 0.00 O ATOM 193 CB VAL A 11 69.924 -1.250 -12.811 1.00 0.00 C ATOM 194 CG1 VAL A 11 71.303 -0.837 -12.293 1.00 0.00 C ATOM 195 CG2 VAL A 11 68.898 -1.121 -11.684 1.00 0.00 C ATOM 0 H VAL A 11 68.008 -1.639 -14.643 1.00 0.00 H new ATOM 0 HA VAL A 11 69.547 0.698 -13.653 1.00 0.00 H new ATOM 0 HB VAL A 11 69.961 -2.284 -13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 11 71.589 -1.485 -11.464 1.00 0.00 H new ATOM 0 HG12 VAL A 11 72.035 -0.929 -13.095 1.00 0.00 H new ATOM 0 HG13 VAL A 11 71.268 0.197 -11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 11 69.186 -1.767 -10.854 1.00 0.00 H new ATOM 0 HG22 VAL A 11 68.861 -0.087 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 11 67.915 -1.417 -12.051 1.00 0.00 H new ATOM 205 N THR A 12 71.398 0.435 -15.298 1.00 0.00 N ATOM 206 CA THR A 12 72.380 0.359 -16.372 1.00 0.00 C ATOM 207 C THR A 12 73.719 -0.140 -15.841 1.00 0.00 C ATOM 208 O THR A 12 74.216 0.344 -14.824 1.00 0.00 O ATOM 209 CB THR A 12 72.565 1.739 -17.011 1.00 0.00 C ATOM 210 OG1 THR A 12 71.294 2.264 -17.374 1.00 0.00 O ATOM 211 CG2 THR A 12 73.441 1.620 -18.260 1.00 0.00 C ATOM 0 H THR A 12 71.467 1.268 -14.713 1.00 0.00 H new ATOM 0 HA THR A 12 72.015 -0.343 -17.122 1.00 0.00 H new ATOM 0 HB THR A 12 73.048 2.405 -16.296 1.00 0.00 H new ATOM 0 HG1 THR A 12 71.409 3.148 -17.782 1.00 0.00 H new ATOM 0 HG21 THR A 12 73.569 2.605 -18.710 1.00 0.00 H new ATOM 0 HG22 THR A 12 74.416 1.218 -17.984 1.00 0.00 H new ATOM 0 HG23 THR A 12 72.963 0.953 -18.977 1.00 0.00 H new ATOM 219 N ILE A 13 74.299 -1.105 -16.544 1.00 0.00 N ATOM 220 CA ILE A 13 75.586 -1.664 -16.149 1.00 0.00 C ATOM 221 C ILE A 13 76.568 -1.595 -17.314 1.00 0.00 C ATOM 222 O ILE A 13 76.163 -1.430 -18.465 1.00 0.00 O ATOM 223 CB ILE A 13 75.406 -3.114 -15.689 1.00 0.00 C ATOM 224 CG1 ILE A 13 74.926 -3.980 -16.860 1.00 0.00 C ATOM 225 CG2 ILE A 13 74.367 -3.161 -14.566 1.00 0.00 C ATOM 226 CD1 ILE A 13 74.869 -5.446 -16.423 1.00 0.00 C ATOM 0 H ILE A 13 73.900 -1.516 -17.388 1.00 0.00 H new ATOM 0 HA ILE A 13 75.988 -1.080 -15.321 1.00 0.00 H new ATOM 0 HB ILE A 13 76.361 -3.497 -15.328 1.00 0.00 H new ATOM 0 HG12 ILE A 13 73.941 -3.650 -17.190 1.00 0.00 H new ATOM 0 HG13 ILE A 13 75.601 -3.869 -17.709 1.00 0.00 H new ATOM 0 HG21 ILE A 13 74.235 -4.191 -14.235 1.00 0.00 H new ATOM 0 HG22 ILE A 13 74.708 -2.552 -13.729 1.00 0.00 H new ATOM 0 HG23 ILE A 13 73.417 -2.774 -14.933 1.00 0.00 H new ATOM 0 HD11 ILE A 13 74.528 -6.061 -17.256 1.00 0.00 H new ATOM 0 HD12 ILE A 13 75.862 -5.772 -16.114 1.00 0.00 H new ATOM 0 HD13 ILE A 13 74.177 -5.550 -15.588 1.00 0.00 H new ATOM 238 N LYS A 14 77.858 -1.719 -17.016 1.00 0.00 N ATOM 239 CA LYS A 14 78.870 -1.664 -18.064 1.00 0.00 C ATOM 240 C LYS A 14 79.895 -2.779 -17.881 1.00 0.00 C ATOM 241 O LYS A 14 80.550 -2.870 -16.843 1.00 0.00 O ATOM 242 CB LYS A 14 79.573 -0.304 -18.032 1.00 0.00 C ATOM 243 CG LYS A 14 80.459 -0.152 -19.270 1.00 0.00 C ATOM 244 CD LYS A 14 81.202 1.184 -19.201 1.00 0.00 C ATOM 245 CE LYS A 14 81.907 1.450 -20.531 1.00 0.00 C ATOM 246 NZ LYS A 14 83.264 2.012 -20.271 1.00 0.00 N ATOM 0 H LYS A 14 78.223 -1.856 -16.073 1.00 0.00 H new ATOM 0 HA LYS A 14 78.380 -1.798 -19.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.835 0.497 -18.001 1.00 0.00 H new ATOM 0 HB3 LYS A 14 80.176 -0.217 -17.128 1.00 0.00 H new ATOM 0 HG2 LYS A 14 81.172 -0.975 -19.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 79.851 -0.197 -20.174 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.502 1.990 -18.982 1.00 0.00 H new ATOM 0 HD3 LYS A 14 81.930 1.165 -18.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 81.988 0.526 -21.103 1.00 0.00 H new ATOM 0 HE3 LYS A 14 81.322 2.147 -21.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 83.744 2.193 -21.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 83.175 2.903 -19.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 83.820 1.332 -19.714 1.00 0.00 H new ATOM 260 N ILE A 15 80.032 -3.623 -18.900 1.00 0.00 N ATOM 261 CA ILE A 15 80.986 -4.725 -18.841 1.00 0.00 C ATOM 262 C ILE A 15 81.647 -4.947 -20.202 1.00 0.00 C ATOM 263 O ILE A 15 80.994 -4.872 -21.241 1.00 0.00 O ATOM 264 CB ILE A 15 80.273 -6.004 -18.385 1.00 0.00 C ATOM 265 CG1 ILE A 15 79.201 -6.399 -19.411 1.00 0.00 C ATOM 266 CG2 ILE A 15 79.611 -5.753 -17.028 1.00 0.00 C ATOM 267 CD1 ILE A 15 78.575 -7.742 -19.019 1.00 0.00 C ATOM 0 H ILE A 15 79.500 -3.566 -19.768 1.00 0.00 H new ATOM 0 HA ILE A 15 81.765 -4.471 -18.122 1.00 0.00 H new ATOM 0 HB ILE A 15 80.999 -6.812 -18.299 1.00 0.00 H new ATOM 0 HG12 ILE A 15 78.431 -5.629 -19.460 1.00 0.00 H new ATOM 0 HG13 ILE A 15 79.644 -6.470 -20.404 1.00 0.00 H new ATOM 0 HG21 ILE A 15 79.102 -6.659 -16.698 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.372 -5.478 -16.297 1.00 0.00 H new ATOM 0 HG23 ILE A 15 78.887 -4.943 -17.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 77.815 -8.017 -19.751 1.00 0.00 H new ATOM 0 HD12 ILE A 15 79.348 -8.510 -18.993 1.00 0.00 H new ATOM 0 HD13 ILE A 15 78.116 -7.656 -18.034 1.00 0.00 H new ATOM 279 N GLY A 16 82.948 -5.224 -20.186 1.00 0.00 N ATOM 280 CA GLY A 16 83.684 -5.460 -21.425 1.00 0.00 C ATOM 281 C GLY A 16 83.811 -4.183 -22.248 1.00 0.00 C ATOM 282 O GLY A 16 84.288 -4.210 -23.382 1.00 0.00 O ATOM 0 H GLY A 16 83.510 -5.290 -19.338 1.00 0.00 H new ATOM 0 HA2 GLY A 16 84.677 -5.845 -21.193 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.175 -6.224 -22.012 1.00 0.00 H new ATOM 286 N GLY A 17 83.381 -3.065 -21.674 1.00 0.00 N ATOM 287 CA GLY A 17 83.452 -1.787 -22.371 1.00 0.00 C ATOM 288 C GLY A 17 82.167 -1.525 -23.149 1.00 0.00 C ATOM 289 O GLY A 17 82.045 -0.515 -23.843 1.00 0.00 O ATOM 0 H GLY A 17 82.983 -3.017 -20.736 1.00 0.00 H new ATOM 0 HA2 GLY A 17 83.618 -0.984 -21.653 1.00 0.00 H new ATOM 0 HA3 GLY A 17 84.302 -1.786 -23.053 1.00 0.00 H new ATOM 293 N GLN A 18 81.213 -2.442 -23.028 1.00 0.00 N ATOM 294 CA GLN A 18 79.939 -2.301 -23.724 1.00 0.00 C ATOM 295 C GLN A 18 78.838 -1.918 -22.745 1.00 0.00 C ATOM 296 O GLN A 18 78.884 -2.280 -21.570 1.00 0.00 O ATOM 297 CB GLN A 18 79.564 -3.616 -24.411 1.00 0.00 C ATOM 298 CG GLN A 18 80.680 -4.035 -25.370 1.00 0.00 C ATOM 299 CD GLN A 18 80.856 -2.980 -26.456 1.00 0.00 C ATOM 300 OE1 GLN A 18 79.873 -2.443 -26.967 1.00 0.00 O ATOM 301 NE2 GLN A 18 82.057 -2.653 -26.843 1.00 0.00 N ATOM 0 H GLN A 18 81.296 -3.285 -22.459 1.00 0.00 H new ATOM 0 HA GLN A 18 80.045 -1.516 -24.472 1.00 0.00 H new ATOM 0 HB2 GLN A 18 79.402 -4.394 -23.665 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.628 -3.498 -24.957 1.00 0.00 H new ATOM 0 HG2 GLN A 18 81.613 -4.164 -24.821 1.00 0.00 H new ATOM 0 HG3 GLN A 18 80.441 -4.998 -25.822 1.00 0.00 H new ATOM 0 HE21 GLN A 18 82.869 -3.100 -26.418 1.00 0.00 H new ATOM 0 HE22 GLN A 18 82.185 -1.950 -27.571 1.00 0.00 H new ATOM 310 N LEU A 19 77.844 -1.190 -23.238 1.00 0.00 N ATOM 311 CA LEU A 19 76.733 -0.773 -22.395 1.00 0.00 C ATOM 312 C LEU A 19 75.562 -1.735 -22.559 1.00 0.00 C ATOM 313 O LEU A 19 75.116 -2.005 -23.675 1.00 0.00 O ATOM 314 CB LEU A 19 76.309 0.649 -22.767 1.00 0.00 C ATOM 315 CG LEU A 19 77.482 1.604 -22.521 1.00 0.00 C ATOM 316 CD1 LEU A 19 77.317 2.856 -23.383 1.00 0.00 C ATOM 317 CD2 LEU A 19 77.514 2.011 -21.044 1.00 0.00 C ATOM 0 H LEU A 19 77.785 -0.879 -24.208 1.00 0.00 H new ATOM 0 HA LEU A 19 77.049 -0.786 -21.352 1.00 0.00 H new ATOM 0 HB2 LEU A 19 76.005 0.689 -23.813 1.00 0.00 H new ATOM 0 HB3 LEU A 19 75.447 0.952 -22.173 1.00 0.00 H new ATOM 0 HG LEU A 19 78.413 1.100 -22.783 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.153 3.533 -23.205 1.00 0.00 H new ATOM 0 HD12 LEU A 19 77.296 2.573 -24.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.384 3.356 -23.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.349 2.690 -20.872 1.00 0.00 H new ATOM 0 HD22 LEU A 19 76.581 2.510 -20.784 1.00 0.00 H new ATOM 0 HD23 LEU A 19 77.635 1.123 -20.424 1.00 0.00 H new ATOM 329 N LYS A 20 75.074 -2.254 -21.438 1.00 0.00 N ATOM 330 CA LYS A 20 73.961 -3.193 -21.463 1.00 0.00 C ATOM 331 C LYS A 20 73.076 -3.024 -20.234 1.00 0.00 C ATOM 332 O LYS A 20 73.469 -2.388 -19.256 1.00 0.00 O ATOM 333 CB LYS A 20 74.490 -4.628 -21.519 1.00 0.00 C ATOM 334 CG LYS A 20 75.235 -4.845 -22.837 1.00 0.00 C ATOM 335 CD LYS A 20 75.658 -6.310 -22.950 1.00 0.00 C ATOM 336 CE LYS A 20 76.441 -6.517 -24.248 1.00 0.00 C ATOM 337 NZ LYS A 20 77.380 -5.378 -24.452 1.00 0.00 N ATOM 0 H LYS A 20 75.430 -2.041 -20.506 1.00 0.00 H new ATOM 0 HA LYS A 20 73.364 -2.988 -22.351 1.00 0.00 H new ATOM 0 HB2 LYS A 20 75.157 -4.814 -20.677 1.00 0.00 H new ATOM 0 HB3 LYS A 20 73.665 -5.335 -21.435 1.00 0.00 H new ATOM 0 HG2 LYS A 20 74.595 -4.575 -23.677 1.00 0.00 H new ATOM 0 HG3 LYS A 20 76.111 -4.198 -22.882 1.00 0.00 H new ATOM 0 HD2 LYS A 20 76.272 -6.589 -22.094 1.00 0.00 H new ATOM 0 HD3 LYS A 20 74.780 -6.955 -22.936 1.00 0.00 H new ATOM 0 HE2 LYS A 20 76.995 -7.455 -24.205 1.00 0.00 H new ATOM 0 HE3 LYS A 20 75.754 -6.591 -25.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 78.158 -5.677 -25.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 76.872 -4.583 -24.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 77.767 -5.078 -23.534 1.00 0.00 H new ATOM 351 N GLU A 21 71.884 -3.609 -20.288 1.00 0.00 N ATOM 352 CA GLU A 21 70.951 -3.534 -19.171 1.00 0.00 C ATOM 353 C GLU A 21 70.677 -4.932 -18.628 1.00 0.00 C ATOM 354 O GLU A 21 70.668 -5.907 -19.379 1.00 0.00 O ATOM 355 CB GLU A 21 69.640 -2.890 -19.627 1.00 0.00 C ATOM 356 CG GLU A 21 69.913 -1.465 -20.114 1.00 0.00 C ATOM 357 CD GLU A 21 70.448 -1.491 -21.544 1.00 0.00 C ATOM 358 OE1 GLU A 21 70.426 -2.552 -22.145 1.00 0.00 O ATOM 359 OE2 GLU A 21 70.872 -0.449 -22.014 1.00 0.00 O ATOM 0 H GLU A 21 71.543 -4.138 -21.090 1.00 0.00 H new ATOM 0 HA GLU A 21 71.392 -2.924 -18.382 1.00 0.00 H new ATOM 0 HB2 GLU A 21 69.192 -3.479 -20.427 1.00 0.00 H new ATOM 0 HB3 GLU A 21 68.925 -2.874 -18.804 1.00 0.00 H new ATOM 0 HG2 GLU A 21 68.997 -0.876 -20.071 1.00 0.00 H new ATOM 0 HG3 GLU A 21 70.635 -0.980 -19.457 1.00 0.00 H new ATOM 366 N ALA A 22 70.456 -5.030 -17.321 1.00 0.00 N ATOM 367 CA ALA A 22 70.186 -6.324 -16.705 1.00 0.00 C ATOM 368 C ALA A 22 69.164 -6.188 -15.582 1.00 0.00 C ATOM 369 O ALA A 22 69.043 -5.133 -14.961 1.00 0.00 O ATOM 370 CB ALA A 22 71.481 -6.918 -16.146 1.00 0.00 C ATOM 0 H ALA A 22 70.458 -4.240 -16.675 1.00 0.00 H new ATOM 0 HA ALA A 22 69.780 -6.986 -17.470 1.00 0.00 H new ATOM 0 HB1 ALA A 22 71.270 -7.884 -15.688 1.00 0.00 H new ATOM 0 HB2 ALA A 22 72.200 -7.049 -16.955 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.897 -6.244 -15.397 1.00 0.00 H new ATOM 376 N LEU A 23 68.437 -7.270 -15.323 1.00 0.00 N ATOM 377 CA LEU A 23 67.435 -7.267 -14.266 1.00 0.00 C ATOM 378 C LEU A 23 68.021 -7.873 -12.996 1.00 0.00 C ATOM 379 O LEU A 23 68.710 -8.893 -13.047 1.00 0.00 O ATOM 380 CB LEU A 23 66.210 -8.077 -14.703 1.00 0.00 C ATOM 381 CG LEU A 23 65.691 -7.546 -16.042 1.00 0.00 C ATOM 382 CD1 LEU A 23 64.413 -8.293 -16.430 1.00 0.00 C ATOM 383 CD2 LEU A 23 65.384 -6.054 -15.913 1.00 0.00 C ATOM 0 H LEU A 23 68.522 -8.153 -15.827 1.00 0.00 H new ATOM 0 HA LEU A 23 67.133 -6.238 -14.069 1.00 0.00 H new ATOM 0 HB2 LEU A 23 66.473 -9.131 -14.796 1.00 0.00 H new ATOM 0 HB3 LEU A 23 65.428 -8.009 -13.946 1.00 0.00 H new ATOM 0 HG LEU A 23 66.449 -7.699 -16.810 1.00 0.00 H new ATOM 0 HD11 LEU A 23 64.045 -7.914 -17.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 64.627 -9.358 -16.522 1.00 0.00 H new ATOM 0 HD13 LEU A 23 63.655 -8.140 -15.662 1.00 0.00 H new ATOM 0 HD21 LEU A 23 65.014 -5.675 -16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 23 64.626 -5.904 -15.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 66.292 -5.518 -15.637 1.00 0.00 H new ATOM 395 N LEU A 24 67.746 -7.246 -11.859 1.00 0.00 N ATOM 396 CA LEU A 24 68.258 -7.747 -10.590 1.00 0.00 C ATOM 397 C LEU A 24 67.188 -8.554 -9.864 1.00 0.00 C ATOM 398 O LEU A 24 66.087 -8.062 -9.612 1.00 0.00 O ATOM 399 CB LEU A 24 68.714 -6.580 -9.710 1.00 0.00 C ATOM 400 CG LEU A 24 69.918 -5.892 -10.357 1.00 0.00 C ATOM 401 CD1 LEU A 24 69.492 -5.240 -11.675 1.00 0.00 C ATOM 402 CD2 LEU A 24 70.457 -4.817 -9.410 1.00 0.00 C ATOM 0 H LEU A 24 67.179 -6.401 -11.789 1.00 0.00 H new ATOM 0 HA LEU A 24 69.109 -8.397 -10.793 1.00 0.00 H new ATOM 0 HB2 LEU A 24 67.899 -5.867 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 24 68.979 -6.942 -8.717 1.00 0.00 H new ATOM 0 HG LEU A 24 70.695 -6.631 -10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 24 70.351 -4.751 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 24 69.106 -6.003 -12.350 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.715 -4.501 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 24 71.315 -4.325 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.678 -4.080 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 24 70.763 -5.279 -8.471 1.00 0.00 H new ATOM 414 N ASP A 25 67.523 -9.795 -9.529 1.00 0.00 N ATOM 415 CA ASP A 25 66.590 -10.671 -8.828 1.00 0.00 C ATOM 416 C ASP A 25 67.284 -11.969 -8.426 1.00 0.00 C ATOM 417 O ASP A 25 68.286 -12.356 -9.024 1.00 0.00 O ATOM 418 CB ASP A 25 65.391 -10.987 -9.724 1.00 0.00 C ATOM 419 CG ASP A 25 64.302 -11.682 -8.912 1.00 0.00 C ATOM 420 OD1 ASP A 25 63.483 -10.984 -8.338 1.00 0.00 O ATOM 421 OD2 ASP A 25 64.305 -12.901 -8.874 1.00 0.00 O ATOM 0 H ASP A 25 68.430 -10.216 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 25 66.243 -10.160 -7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 25 65.000 -10.068 -10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 25 65.703 -11.625 -10.551 1.00 0.00 H new ATOM 426 N THR A 26 66.742 -12.642 -7.420 1.00 0.00 N ATOM 427 CA THR A 26 67.322 -13.895 -6.964 1.00 0.00 C ATOM 428 C THR A 26 66.925 -15.026 -7.905 1.00 0.00 C ATOM 429 O THR A 26 67.313 -15.041 -9.073 1.00 0.00 O ATOM 430 CB THR A 26 66.841 -14.204 -5.545 1.00 0.00 C ATOM 431 OG1 THR A 26 67.135 -13.102 -4.699 1.00 0.00 O ATOM 432 CG2 THR A 26 67.552 -15.451 -5.022 1.00 0.00 C ATOM 0 H THR A 26 65.910 -12.344 -6.910 1.00 0.00 H new ATOM 0 HA THR A 26 68.408 -13.803 -6.960 1.00 0.00 H new ATOM 0 HB THR A 26 65.765 -14.380 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 26 66.826 -13.296 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 26 67.208 -15.669 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 26 67.328 -16.297 -5.672 1.00 0.00 H new ATOM 0 HG23 THR A 26 68.628 -15.278 -5.009 1.00 0.00 H new ATOM 440 N GLY A 27 66.147 -15.964 -7.389 1.00 0.00 N ATOM 441 CA GLY A 27 65.691 -17.094 -8.192 1.00 0.00 C ATOM 442 C GLY A 27 66.869 -17.875 -8.771 1.00 0.00 C ATOM 443 O GLY A 27 66.693 -18.702 -9.666 1.00 0.00 O ATOM 0 H GLY A 27 65.818 -15.968 -6.424 1.00 0.00 H new ATOM 0 HA2 GLY A 27 65.080 -17.756 -7.578 1.00 0.00 H new ATOM 0 HA3 GLY A 27 65.057 -16.735 -9.002 1.00 0.00 H new ATOM 447 N ALA A 28 68.067 -17.616 -8.256 1.00 0.00 N ATOM 448 CA ALA A 28 69.256 -18.314 -8.735 1.00 0.00 C ATOM 449 C ALA A 28 70.398 -18.190 -7.731 1.00 0.00 C ATOM 450 O ALA A 28 70.652 -17.111 -7.196 1.00 0.00 O ATOM 451 CB ALA A 28 69.693 -17.734 -10.083 1.00 0.00 C ATOM 0 H ALA A 28 68.240 -16.936 -7.516 1.00 0.00 H new ATOM 0 HA ALA A 28 69.009 -19.369 -8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 28 70.581 -18.260 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.889 -17.854 -10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 28 69.921 -16.674 -9.967 1.00 0.00 H new ATOM 457 N ASP A 29 71.084 -19.301 -7.483 1.00 0.00 N ATOM 458 CA ASP A 29 72.201 -19.307 -6.543 1.00 0.00 C ATOM 459 C ASP A 29 73.318 -18.383 -7.019 1.00 0.00 C ATOM 460 O ASP A 29 73.939 -17.680 -6.220 1.00 0.00 O ATOM 461 CB ASP A 29 72.749 -20.728 -6.397 1.00 0.00 C ATOM 462 CG ASP A 29 71.717 -21.624 -5.722 1.00 0.00 C ATOM 463 OD1 ASP A 29 70.741 -21.094 -5.218 1.00 0.00 O ATOM 464 OD2 ASP A 29 71.918 -22.827 -5.719 1.00 0.00 O ATOM 0 H ASP A 29 70.889 -20.204 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 29 71.837 -18.950 -5.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 73.004 -21.130 -7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 29 73.667 -20.713 -5.810 1.00 0.00 H new ATOM 469 N ASP A 30 73.573 -18.396 -8.322 1.00 0.00 N ATOM 470 CA ASP A 30 74.627 -17.563 -8.893 1.00 0.00 C ATOM 471 C ASP A 30 74.093 -16.729 -10.051 1.00 0.00 C ATOM 472 O ASP A 30 72.986 -16.958 -10.538 1.00 0.00 O ATOM 473 CB ASP A 30 75.776 -18.445 -9.385 1.00 0.00 C ATOM 474 CG ASP A 30 76.430 -19.155 -8.204 1.00 0.00 C ATOM 475 OD1 ASP A 30 76.265 -18.685 -7.091 1.00 0.00 O ATOM 476 OD2 ASP A 30 77.089 -20.156 -8.431 1.00 0.00 O ATOM 0 H ASP A 30 73.070 -18.969 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 30 74.988 -16.889 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 30 75.402 -19.178 -10.100 1.00 0.00 H new ATOM 0 HB3 ASP A 30 76.514 -17.837 -9.909 1.00 0.00 H new ATOM 481 N THR A 31 74.889 -15.757 -10.485 1.00 0.00 N ATOM 482 CA THR A 31 74.500 -14.882 -11.583 1.00 0.00 C ATOM 483 C THR A 31 74.765 -15.546 -12.933 1.00 0.00 C ATOM 484 O THR A 31 75.814 -16.156 -13.141 1.00 0.00 O ATOM 485 CB THR A 31 75.289 -13.573 -11.491 1.00 0.00 C ATOM 486 OG1 THR A 31 74.861 -12.845 -10.350 1.00 0.00 O ATOM 487 CG2 THR A 31 75.067 -12.736 -12.752 1.00 0.00 C ATOM 0 H THR A 31 75.808 -15.556 -10.092 1.00 0.00 H new ATOM 0 HA THR A 31 73.432 -14.680 -11.505 1.00 0.00 H new ATOM 0 HB THR A 31 76.351 -13.800 -11.402 1.00 0.00 H new ATOM 0 HG1 THR A 31 75.159 -13.305 -9.538 1.00 0.00 H new ATOM 0 HG21 THR A 31 75.632 -11.807 -12.676 1.00 0.00 H new ATOM 0 HG22 THR A 31 75.404 -13.296 -13.624 1.00 0.00 H new ATOM 0 HG23 THR A 31 74.006 -12.508 -12.855 1.00 0.00 H new ATOM 495 N VAL A 32 73.810 -15.411 -13.850 1.00 0.00 N ATOM 496 CA VAL A 32 73.952 -15.988 -15.183 1.00 0.00 C ATOM 497 C VAL A 32 73.569 -14.960 -16.245 1.00 0.00 C ATOM 498 O VAL A 32 72.667 -14.150 -16.037 1.00 0.00 O ATOM 499 CB VAL A 32 73.064 -17.228 -15.322 1.00 0.00 C ATOM 500 CG1 VAL A 32 73.529 -18.306 -14.340 1.00 0.00 C ATOM 501 CG2 VAL A 32 71.611 -16.857 -15.014 1.00 0.00 C ATOM 0 H VAL A 32 72.935 -14.910 -13.695 1.00 0.00 H new ATOM 0 HA VAL A 32 74.993 -16.278 -15.326 1.00 0.00 H new ATOM 0 HB VAL A 32 73.135 -17.608 -16.341 1.00 0.00 H new ATOM 0 HG11 VAL A 32 72.896 -19.187 -14.441 1.00 0.00 H new ATOM 0 HG12 VAL A 32 74.563 -18.575 -14.558 1.00 0.00 H new ATOM 0 HG13 VAL A 32 73.460 -17.924 -13.321 1.00 0.00 H new ATOM 0 HG21 VAL A 32 70.981 -17.741 -15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 32 71.541 -16.474 -13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 32 71.275 -16.091 -15.713 1.00 0.00 H new ATOM 511 N ILE A 33 74.261 -14.991 -17.382 1.00 0.00 N ATOM 512 CA ILE A 33 73.974 -14.045 -18.457 1.00 0.00 C ATOM 513 C ILE A 33 73.824 -14.757 -19.799 1.00 0.00 C ATOM 514 O ILE A 33 74.336 -15.859 -19.989 1.00 0.00 O ATOM 515 CB ILE A 33 75.092 -13.001 -18.541 1.00 0.00 C ATOM 516 CG1 ILE A 33 76.413 -13.678 -18.935 1.00 0.00 C ATOM 517 CG2 ILE A 33 75.253 -12.327 -17.176 1.00 0.00 C ATOM 518 CD1 ILE A 33 77.490 -12.615 -19.169 1.00 0.00 C ATOM 0 H ILE A 33 75.013 -15.650 -17.581 1.00 0.00 H new ATOM 0 HA ILE A 33 73.029 -13.551 -18.231 1.00 0.00 H new ATOM 0 HB ILE A 33 74.835 -12.256 -19.294 1.00 0.00 H new ATOM 0 HG12 ILE A 33 76.730 -14.363 -18.149 1.00 0.00 H new ATOM 0 HG13 ILE A 33 76.273 -14.272 -19.838 1.00 0.00 H new ATOM 0 HG21 ILE A 33 76.047 -11.583 -17.229 1.00 0.00 H new ATOM 0 HG22 ILE A 33 74.318 -11.841 -16.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 75.508 -13.077 -16.428 1.00 0.00 H new ATOM 0 HD11 ILE A 33 78.425 -13.100 -19.448 1.00 0.00 H new ATOM 0 HD12 ILE A 33 77.174 -11.947 -19.971 1.00 0.00 H new ATOM 0 HD13 ILE A 33 77.638 -12.040 -18.255 1.00 0.00 H new ATOM 530 N GLU A 34 73.127 -14.111 -20.731 1.00 0.00 N ATOM 531 CA GLU A 34 72.928 -14.687 -22.056 1.00 0.00 C ATOM 532 C GLU A 34 74.259 -14.807 -22.793 1.00 0.00 C ATOM 533 O GLU A 34 75.254 -14.196 -22.402 1.00 0.00 O ATOM 534 CB GLU A 34 71.963 -13.820 -22.871 1.00 0.00 C ATOM 535 CG GLU A 34 72.637 -12.496 -23.239 1.00 0.00 C ATOM 536 CD GLU A 34 71.631 -11.573 -23.919 1.00 0.00 C ATOM 537 OE1 GLU A 34 70.514 -12.008 -24.141 1.00 0.00 O ATOM 538 OE2 GLU A 34 71.994 -10.445 -24.209 1.00 0.00 O ATOM 0 H GLU A 34 72.695 -13.197 -20.594 1.00 0.00 H new ATOM 0 HA GLU A 34 72.501 -15.683 -21.936 1.00 0.00 H new ATOM 0 HB2 GLU A 34 71.661 -14.348 -23.775 1.00 0.00 H new ATOM 0 HB3 GLU A 34 71.057 -13.629 -22.296 1.00 0.00 H new ATOM 0 HG2 GLU A 34 73.034 -12.019 -22.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 73.482 -12.680 -23.903 1.00 0.00 H new ATOM 545 N GLU A 35 74.271 -15.599 -23.862 1.00 0.00 N ATOM 546 CA GLU A 35 75.486 -15.793 -24.647 1.00 0.00 C ATOM 547 C GLU A 35 75.585 -14.731 -25.739 1.00 0.00 C ATOM 548 O GLU A 35 74.583 -14.372 -26.360 1.00 0.00 O ATOM 549 CB GLU A 35 75.477 -17.185 -25.284 1.00 0.00 C ATOM 550 CG GLU A 35 76.819 -17.443 -25.973 1.00 0.00 C ATOM 551 CD GLU A 35 76.782 -18.787 -26.692 1.00 0.00 C ATOM 552 OE1 GLU A 35 75.745 -19.429 -26.657 1.00 0.00 O ATOM 553 OE2 GLU A 35 77.793 -19.156 -27.268 1.00 0.00 O ATOM 0 H GLU A 35 73.459 -16.114 -24.203 1.00 0.00 H new ATOM 0 HA GLU A 35 76.348 -15.703 -23.986 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.296 -17.943 -24.522 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.665 -17.260 -26.007 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.032 -16.645 -26.685 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.623 -17.436 -25.237 1.00 0.00 H new ATOM 560 N MET A 36 76.795 -14.228 -25.970 1.00 0.00 N ATOM 561 CA MET A 36 77.004 -13.206 -26.990 1.00 0.00 C ATOM 562 C MET A 36 78.298 -13.468 -27.754 1.00 0.00 C ATOM 563 O MET A 36 78.276 -13.943 -28.888 1.00 0.00 O ATOM 564 CB MET A 36 77.073 -11.824 -26.335 1.00 0.00 C ATOM 565 CG MET A 36 75.736 -11.508 -25.661 1.00 0.00 C ATOM 566 SD MET A 36 75.772 -9.821 -25.006 1.00 0.00 S ATOM 567 CE MET A 36 77.172 -10.039 -23.877 1.00 0.00 C ATOM 0 H MET A 36 77.638 -14.509 -25.469 1.00 0.00 H new ATOM 0 HA MET A 36 76.168 -13.240 -27.688 1.00 0.00 H new ATOM 0 HB2 MET A 36 77.877 -11.799 -25.600 1.00 0.00 H new ATOM 0 HB3 MET A 36 77.302 -11.066 -27.084 1.00 0.00 H new ATOM 0 HG2 MET A 36 74.922 -11.614 -26.378 1.00 0.00 H new ATOM 0 HG3 MET A 36 75.546 -12.218 -24.856 1.00 0.00 H new ATOM 0 HE1 MET A 36 77.095 -9.322 -23.060 1.00 0.00 H new ATOM 0 HE2 MET A 36 77.160 -11.052 -23.474 1.00 0.00 H new ATOM 0 HE3 MET A 36 78.104 -9.875 -24.417 1.00 0.00 H new ATOM 577 N SER A 37 79.423 -13.160 -27.114 1.00 0.00 N ATOM 578 CA SER A 37 80.735 -13.365 -27.724 1.00 0.00 C ATOM 579 C SER A 37 81.833 -12.921 -26.764 1.00 0.00 C ATOM 580 O SER A 37 82.051 -11.725 -26.569 1.00 0.00 O ATOM 581 CB SER A 37 80.848 -12.566 -29.025 1.00 0.00 C ATOM 582 OG SER A 37 82.152 -12.733 -29.563 1.00 0.00 O ATOM 0 H SER A 37 79.453 -12.767 -26.173 1.00 0.00 H new ATOM 0 HA SER A 37 80.851 -14.426 -27.944 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.100 -12.906 -29.741 1.00 0.00 H new ATOM 0 HB3 SER A 37 80.652 -11.511 -28.836 1.00 0.00 H new ATOM 0 HG SER A 37 82.229 -12.225 -30.397 1.00 0.00 H new ATOM 588 N LEU A 38 82.516 -13.887 -26.158 1.00 0.00 N ATOM 589 CA LEU A 38 83.581 -13.575 -25.211 1.00 0.00 C ATOM 590 C LEU A 38 84.917 -14.153 -25.679 1.00 0.00 C ATOM 591 O LEU A 38 85.258 -15.286 -25.340 1.00 0.00 O ATOM 592 CB LEU A 38 83.235 -14.153 -23.838 1.00 0.00 C ATOM 593 CG LEU A 38 82.670 -13.048 -22.945 1.00 0.00 C ATOM 594 CD1 LEU A 38 81.469 -12.400 -23.635 1.00 0.00 C ATOM 595 CD2 LEU A 38 82.226 -13.649 -21.609 1.00 0.00 C ATOM 0 H LEU A 38 82.353 -14.883 -26.304 1.00 0.00 H new ATOM 0 HA LEU A 38 83.673 -12.491 -25.147 1.00 0.00 H new ATOM 0 HB2 LEU A 38 82.507 -14.957 -23.944 1.00 0.00 H new ATOM 0 HB3 LEU A 38 84.124 -14.586 -23.380 1.00 0.00 H new ATOM 0 HG LEU A 38 83.438 -12.295 -22.768 1.00 0.00 H new ATOM 0 HD11 LEU A 38 81.065 -11.612 -22.999 1.00 0.00 H new ATOM 0 HD12 LEU A 38 81.783 -11.973 -24.587 1.00 0.00 H new ATOM 0 HD13 LEU A 38 80.701 -13.153 -23.811 1.00 0.00 H new ATOM 0 HD21 LEU A 38 81.823 -12.862 -20.972 1.00 0.00 H new ATOM 0 HD22 LEU A 38 81.457 -14.401 -21.786 1.00 0.00 H new ATOM 0 HD23 LEU A 38 83.081 -14.112 -21.116 1.00 0.00 H new ATOM 607 N PRO A 39 85.676 -13.406 -26.442 1.00 0.00 N ATOM 608 CA PRO A 39 87.000 -13.870 -26.951 1.00 0.00 C ATOM 609 C PRO A 39 87.862 -14.477 -25.845 1.00 0.00 C ATOM 610 O PRO A 39 87.691 -14.162 -24.668 1.00 0.00 O ATOM 611 CB PRO A 39 87.640 -12.598 -27.510 1.00 0.00 C ATOM 612 CG PRO A 39 86.496 -11.713 -27.876 1.00 0.00 C ATOM 613 CD PRO A 39 85.361 -12.044 -26.907 1.00 0.00 C ATOM 0 HA PRO A 39 86.899 -14.661 -27.694 1.00 0.00 H new ATOM 0 HB2 PRO A 39 88.284 -12.123 -26.770 1.00 0.00 H new ATOM 0 HB3 PRO A 39 88.261 -12.818 -28.378 1.00 0.00 H new ATOM 0 HG2 PRO A 39 86.778 -10.663 -27.798 1.00 0.00 H new ATOM 0 HG3 PRO A 39 86.188 -11.885 -28.907 1.00 0.00 H new ATOM 0 HD2 PRO A 39 85.325 -11.337 -26.078 1.00 0.00 H new ATOM 0 HD3 PRO A 39 84.390 -12.005 -27.401 1.00 0.00 H new ATOM 621 N GLY A 40 88.777 -15.359 -26.234 1.00 0.00 N ATOM 622 CA GLY A 40 89.652 -16.019 -25.270 1.00 0.00 C ATOM 623 C GLY A 40 89.270 -17.487 -25.132 1.00 0.00 C ATOM 624 O GLY A 40 88.912 -18.135 -26.115 1.00 0.00 O ATOM 0 H GLY A 40 88.932 -15.633 -27.204 1.00 0.00 H new ATOM 0 HA2 GLY A 40 90.690 -15.935 -25.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 89.578 -15.524 -24.302 1.00 0.00 H new ATOM 628 N ARG A 41 89.339 -18.013 -23.911 1.00 0.00 N ATOM 629 CA ARG A 41 88.988 -19.409 -23.678 1.00 0.00 C ATOM 630 C ARG A 41 87.771 -19.502 -22.764 1.00 0.00 C ATOM 631 O ARG A 41 87.557 -18.641 -21.910 1.00 0.00 O ATOM 632 CB ARG A 41 90.165 -20.150 -23.043 1.00 0.00 C ATOM 633 CG ARG A 41 91.342 -20.173 -24.019 1.00 0.00 C ATOM 634 CD ARG A 41 92.465 -21.036 -23.440 1.00 0.00 C ATOM 635 NE ARG A 41 93.667 -20.915 -24.259 1.00 0.00 N ATOM 636 CZ ARG A 41 94.848 -21.329 -23.810 1.00 0.00 C ATOM 637 NH1 ARG A 41 94.941 -21.864 -22.624 1.00 0.00 N ATOM 638 NH2 ARG A 41 95.912 -21.204 -24.554 1.00 0.00 N ATOM 0 H ARG A 41 89.631 -17.501 -23.079 1.00 0.00 H new ATOM 0 HA ARG A 41 88.750 -19.871 -24.636 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.459 -19.660 -22.115 1.00 0.00 H new ATOM 0 HB3 ARG A 41 89.872 -21.168 -22.787 1.00 0.00 H new ATOM 0 HG2 ARG A 41 91.022 -20.571 -24.982 1.00 0.00 H new ATOM 0 HG3 ARG A 41 91.702 -19.159 -24.196 1.00 0.00 H new ATOM 0 HD2 ARG A 41 92.680 -20.727 -22.417 1.00 0.00 H new ATOM 0 HD3 ARG A 41 92.148 -22.078 -23.398 1.00 0.00 H new ATOM 0 HE ARG A 41 93.600 -20.506 -25.191 1.00 0.00 H new ATOM 0 HH11 ARG A 41 94.109 -21.964 -22.043 1.00 0.00 H new ATOM 0 HH12 ARG A 41 95.846 -22.182 -22.278 1.00 0.00 H new ATOM 0 HH21 ARG A 41 95.839 -20.788 -25.482 1.00 0.00 H new ATOM 0 HH22 ARG A 41 96.817 -21.522 -24.207 1.00 0.00 H new ATOM 652 N TRP A 42 86.972 -20.545 -22.954 1.00 0.00 N ATOM 653 CA TRP A 42 85.772 -20.735 -22.146 1.00 0.00 C ATOM 654 C TRP A 42 85.933 -21.915 -21.194 1.00 0.00 C ATOM 655 O TRP A 42 86.783 -22.783 -21.398 1.00 0.00 O ATOM 656 CB TRP A 42 84.564 -20.968 -23.053 1.00 0.00 C ATOM 657 CG TRP A 42 85.034 -21.235 -24.447 1.00 0.00 C ATOM 658 CD1 TRP A 42 85.499 -20.296 -25.301 1.00 0.00 C ATOM 659 CD2 TRP A 42 85.093 -22.503 -25.160 1.00 0.00 C ATOM 660 NE1 TRP A 42 85.840 -20.907 -26.495 1.00 0.00 N ATOM 661 CE2 TRP A 42 85.608 -22.267 -26.456 1.00 0.00 C ATOM 662 CE3 TRP A 42 84.753 -23.823 -24.811 1.00 0.00 C ATOM 663 CZ2 TRP A 42 85.780 -23.304 -27.375 1.00 0.00 C ATOM 664 CZ3 TRP A 42 84.925 -24.868 -25.732 1.00 0.00 C ATOM 665 CH2 TRP A 42 85.438 -24.609 -27.012 1.00 0.00 C ATOM 0 H TRP A 42 87.131 -21.268 -23.655 1.00 0.00 H new ATOM 0 HA TRP A 42 85.616 -19.833 -21.554 1.00 0.00 H new ATOM 0 HB2 TRP A 42 83.978 -21.811 -22.687 1.00 0.00 H new ATOM 0 HB3 TRP A 42 83.911 -20.096 -23.038 1.00 0.00 H new ATOM 0 HD1 TRP A 42 85.590 -19.241 -25.087 1.00 0.00 H new ATOM 0 HE1 TRP A 42 86.216 -20.413 -27.304 1.00 0.00 H new ATOM 0 HE3 TRP A 42 84.357 -24.033 -23.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 86.175 -23.099 -28.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 84.661 -25.878 -25.454 1.00 0.00 H new ATOM 0 HH2 TRP A 42 85.568 -25.418 -27.716 1.00 0.00 H new ATOM 676 N LYS A 43 85.105 -21.935 -20.155 1.00 0.00 N ATOM 677 CA LYS A 43 85.147 -23.005 -19.165 1.00 0.00 C ATOM 678 C LYS A 43 83.843 -23.805 -19.191 1.00 0.00 C ATOM 679 O LYS A 43 82.888 -23.466 -18.490 1.00 0.00 O ATOM 680 CB LYS A 43 85.350 -22.412 -17.769 1.00 0.00 C ATOM 681 CG LYS A 43 86.842 -22.395 -17.434 1.00 0.00 C ATOM 682 CD LYS A 43 87.067 -21.618 -16.134 1.00 0.00 C ATOM 683 CE LYS A 43 88.362 -22.091 -15.474 1.00 0.00 C ATOM 684 NZ LYS A 43 89.023 -20.942 -14.794 1.00 0.00 N ATOM 0 H LYS A 43 84.397 -21.223 -19.977 1.00 0.00 H new ATOM 0 HA LYS A 43 85.977 -23.669 -19.405 1.00 0.00 H new ATOM 0 HB2 LYS A 43 84.946 -21.400 -17.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 84.807 -23.001 -17.030 1.00 0.00 H new ATOM 0 HG2 LYS A 43 87.213 -23.414 -17.329 1.00 0.00 H new ATOM 0 HG3 LYS A 43 87.402 -21.934 -18.247 1.00 0.00 H new ATOM 0 HD2 LYS A 43 87.122 -20.549 -16.342 1.00 0.00 H new ATOM 0 HD3 LYS A 43 86.226 -21.769 -15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 88.148 -22.880 -14.753 1.00 0.00 H new ATOM 0 HE3 LYS A 43 89.030 -22.517 -16.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 89.704 -21.298 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 89.523 -20.362 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 88.305 -20.362 -14.315 1.00 0.00 H new ATOM 698 N PRO A 44 83.782 -24.844 -19.991 1.00 0.00 N ATOM 699 CA PRO A 44 82.563 -25.699 -20.113 1.00 0.00 C ATOM 700 C PRO A 44 82.060 -26.212 -18.765 1.00 0.00 C ATOM 701 O PRO A 44 82.842 -26.643 -17.917 1.00 0.00 O ATOM 702 CB PRO A 44 83.012 -26.868 -20.994 1.00 0.00 C ATOM 703 CG PRO A 44 84.209 -26.380 -21.739 1.00 0.00 C ATOM 704 CD PRO A 44 84.866 -25.310 -20.870 1.00 0.00 C ATOM 0 HA PRO A 44 81.728 -25.135 -20.529 1.00 0.00 H new ATOM 0 HB2 PRO A 44 83.257 -27.741 -20.390 1.00 0.00 H new ATOM 0 HB3 PRO A 44 82.220 -27.167 -21.680 1.00 0.00 H new ATOM 0 HG2 PRO A 44 84.902 -27.198 -21.934 1.00 0.00 H new ATOM 0 HG3 PRO A 44 83.921 -25.969 -22.706 1.00 0.00 H new ATOM 0 HD2 PRO A 44 85.697 -25.719 -20.295 1.00 0.00 H new ATOM 0 HD3 PRO A 44 85.266 -24.496 -21.475 1.00 0.00 H new ATOM 712 N LYS A 45 80.745 -26.170 -18.589 1.00 0.00 N ATOM 713 CA LYS A 45 80.124 -26.640 -17.357 1.00 0.00 C ATOM 714 C LYS A 45 78.753 -27.240 -17.655 1.00 0.00 C ATOM 715 O LYS A 45 78.089 -26.839 -18.612 1.00 0.00 O ATOM 716 CB LYS A 45 79.985 -25.481 -16.367 1.00 0.00 C ATOM 717 CG LYS A 45 79.544 -26.021 -15.005 1.00 0.00 C ATOM 718 CD LYS A 45 79.345 -24.853 -14.036 1.00 0.00 C ATOM 719 CE LYS A 45 79.045 -25.392 -12.637 1.00 0.00 C ATOM 720 NZ LYS A 45 79.231 -24.303 -11.638 1.00 0.00 N ATOM 0 H LYS A 45 80.088 -25.815 -19.284 1.00 0.00 H new ATOM 0 HA LYS A 45 80.756 -27.410 -16.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.935 -24.955 -16.271 1.00 0.00 H new ATOM 0 HB3 LYS A 45 79.257 -24.759 -16.737 1.00 0.00 H new ATOM 0 HG2 LYS A 45 78.617 -26.585 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 45 80.294 -26.709 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 45 80.239 -24.230 -14.013 1.00 0.00 H new ATOM 0 HD3 LYS A 45 78.525 -24.221 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.024 -25.771 -12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.706 -26.228 -12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 79.027 -24.667 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.213 -23.961 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.583 -23.519 -11.855 1.00 0.00 H new ATOM 734 N MET A 46 78.328 -28.198 -16.837 1.00 0.00 N ATOM 735 CA MET A 46 77.028 -28.833 -17.033 1.00 0.00 C ATOM 736 C MET A 46 76.065 -28.422 -15.922 1.00 0.00 C ATOM 737 O MET A 46 76.416 -28.451 -14.744 1.00 0.00 O ATOM 738 CB MET A 46 77.181 -30.356 -17.044 1.00 0.00 C ATOM 739 CG MET A 46 75.840 -31.000 -17.405 1.00 0.00 C ATOM 740 SD MET A 46 75.961 -32.797 -17.212 1.00 0.00 S ATOM 741 CE MET A 46 77.184 -33.087 -18.516 1.00 0.00 C ATOM 0 H MET A 46 78.858 -28.549 -16.040 1.00 0.00 H new ATOM 0 HA MET A 46 76.625 -28.507 -17.992 1.00 0.00 H new ATOM 0 HB2 MET A 46 77.944 -30.651 -17.765 1.00 0.00 H new ATOM 0 HB3 MET A 46 77.514 -30.706 -16.067 1.00 0.00 H new ATOM 0 HG2 MET A 46 75.051 -30.607 -16.763 1.00 0.00 H new ATOM 0 HG3 MET A 46 75.570 -30.751 -18.431 1.00 0.00 H new ATOM 0 HE1 MET A 46 77.092 -34.110 -18.881 1.00 0.00 H new ATOM 0 HE2 MET A 46 77.011 -32.392 -19.338 1.00 0.00 H new ATOM 0 HE3 MET A 46 78.186 -32.934 -18.116 1.00 0.00 H new ATOM 751 N ILE A 47 74.851 -28.039 -16.305 1.00 0.00 N ATOM 752 CA ILE A 47 73.849 -27.623 -15.327 1.00 0.00 C ATOM 753 C ILE A 47 72.527 -28.350 -15.558 1.00 0.00 C ATOM 754 O ILE A 47 72.127 -28.582 -16.699 1.00 0.00 O ATOM 755 CB ILE A 47 73.626 -26.113 -15.416 1.00 0.00 C ATOM 756 CG1 ILE A 47 72.621 -25.686 -14.343 1.00 0.00 C ATOM 757 CG2 ILE A 47 73.076 -25.757 -16.797 1.00 0.00 C ATOM 758 CD1 ILE A 47 72.697 -24.172 -14.142 1.00 0.00 C ATOM 0 H ILE A 47 74.538 -28.008 -17.275 1.00 0.00 H new ATOM 0 HA ILE A 47 74.217 -27.879 -14.334 1.00 0.00 H new ATOM 0 HB ILE A 47 74.572 -25.596 -15.259 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.612 -25.973 -14.640 1.00 0.00 H new ATOM 0 HG13 ILE A 47 72.835 -26.199 -13.405 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.917 -24.680 -16.859 1.00 0.00 H new ATOM 0 HG22 ILE A 47 73.789 -26.064 -17.563 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.129 -26.273 -16.956 1.00 0.00 H new ATOM 0 HD11 ILE A 47 71.981 -23.870 -13.378 1.00 0.00 H new ATOM 0 HD12 ILE A 47 73.703 -23.897 -13.825 1.00 0.00 H new ATOM 0 HD13 ILE A 47 72.461 -23.668 -15.079 1.00 0.00 H new ATOM 817 N PHE A 53 69.242 -31.798 -18.965 1.00 0.00 N ATOM 818 CA PHE A 53 70.629 -31.384 -18.781 1.00 0.00 C ATOM 819 C PHE A 53 71.097 -30.541 -19.964 1.00 0.00 C ATOM 820 O PHE A 53 70.929 -30.927 -21.121 1.00 0.00 O ATOM 821 CB PHE A 53 71.528 -32.613 -18.634 1.00 0.00 C ATOM 822 CG PHE A 53 71.158 -33.360 -17.375 1.00 0.00 C ATOM 823 CD1 PHE A 53 71.655 -32.933 -16.137 1.00 0.00 C ATOM 824 CD2 PHE A 53 70.320 -34.480 -17.443 1.00 0.00 C ATOM 825 CE1 PHE A 53 71.315 -33.624 -14.968 1.00 0.00 C ATOM 826 CE2 PHE A 53 69.980 -35.172 -16.274 1.00 0.00 C ATOM 827 CZ PHE A 53 70.477 -34.743 -15.036 1.00 0.00 C ATOM 0 HA PHE A 53 70.692 -30.782 -17.875 1.00 0.00 H new ATOM 0 HB2 PHE A 53 71.417 -33.264 -19.501 1.00 0.00 H new ATOM 0 HB3 PHE A 53 72.574 -32.309 -18.595 1.00 0.00 H new ATOM 0 HD1 PHE A 53 72.301 -32.069 -16.084 1.00 0.00 H new ATOM 0 HD2 PHE A 53 69.936 -34.810 -18.397 1.00 0.00 H new ATOM 0 HE1 PHE A 53 71.699 -33.294 -14.014 1.00 0.00 H new ATOM 0 HE2 PHE A 53 69.335 -36.036 -16.327 1.00 0.00 H new ATOM 0 HZ PHE A 53 70.213 -35.276 -14.134 1.00 0.00 H new ATOM 837 N ILE A 54 71.687 -29.387 -19.664 1.00 0.00 N ATOM 838 CA ILE A 54 72.179 -28.495 -20.708 1.00 0.00 C ATOM 839 C ILE A 54 73.613 -28.072 -20.408 1.00 0.00 C ATOM 840 O ILE A 54 73.999 -27.939 -19.247 1.00 0.00 O ATOM 841 CB ILE A 54 71.286 -27.254 -20.793 1.00 0.00 C ATOM 842 CG1 ILE A 54 71.604 -26.472 -22.072 1.00 0.00 C ATOM 843 CG2 ILE A 54 71.536 -26.359 -19.579 1.00 0.00 C ATOM 844 CD1 ILE A 54 70.833 -27.073 -23.248 1.00 0.00 C ATOM 0 H ILE A 54 71.835 -29.050 -18.713 1.00 0.00 H new ATOM 0 HA ILE A 54 72.157 -29.024 -21.661 1.00 0.00 H new ATOM 0 HB ILE A 54 70.242 -27.566 -20.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 71.334 -25.424 -21.945 1.00 0.00 H new ATOM 0 HG13 ILE A 54 72.675 -26.504 -22.272 1.00 0.00 H new ATOM 0 HG21 ILE A 54 70.900 -25.476 -19.641 1.00 0.00 H new ATOM 0 HG22 ILE A 54 71.305 -26.910 -18.667 1.00 0.00 H new ATOM 0 HG23 ILE A 54 72.582 -26.052 -19.562 1.00 0.00 H new ATOM 0 HD11 ILE A 54 71.061 -26.515 -24.156 1.00 0.00 H new ATOM 0 HD12 ILE A 54 71.124 -28.115 -23.380 1.00 0.00 H new ATOM 0 HD13 ILE A 54 69.763 -27.018 -23.048 1.00 0.00 H new ATOM 856 N LYS A 55 74.396 -27.852 -21.456 1.00 0.00 N ATOM 857 CA LYS A 55 75.779 -27.434 -21.282 1.00 0.00 C ATOM 858 C LYS A 55 75.862 -25.915 -21.170 1.00 0.00 C ATOM 859 O LYS A 55 75.348 -25.194 -22.024 1.00 0.00 O ATOM 860 CB LYS A 55 76.623 -27.902 -22.469 1.00 0.00 C ATOM 861 CG LYS A 55 78.101 -27.617 -22.187 1.00 0.00 C ATOM 862 CD LYS A 55 78.952 -28.104 -23.363 1.00 0.00 C ATOM 863 CE LYS A 55 78.660 -27.250 -24.602 1.00 0.00 C ATOM 864 NZ LYS A 55 79.945 -26.871 -25.255 1.00 0.00 N ATOM 0 H LYS A 55 74.100 -27.955 -22.427 1.00 0.00 H new ATOM 0 HA LYS A 55 76.163 -27.883 -20.366 1.00 0.00 H new ATOM 0 HB2 LYS A 55 76.473 -28.968 -22.638 1.00 0.00 H new ATOM 0 HB3 LYS A 55 76.309 -27.388 -23.377 1.00 0.00 H new ATOM 0 HG2 LYS A 55 78.253 -26.549 -22.033 1.00 0.00 H new ATOM 0 HG3 LYS A 55 78.410 -28.118 -21.270 1.00 0.00 H new ATOM 0 HD2 LYS A 55 80.010 -28.043 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS A 55 78.735 -29.151 -23.572 1.00 0.00 H new ATOM 0 HE2 LYS A 55 78.034 -27.805 -25.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 78.106 -26.355 -24.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 79.779 -26.680 -26.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 80.327 -26.018 -24.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 80.627 -27.650 -25.158 1.00 0.00 H new ATOM 878 N VAL A 56 76.510 -25.435 -20.115 1.00 0.00 N ATOM 879 CA VAL A 56 76.650 -23.999 -19.909 1.00 0.00 C ATOM 880 C VAL A 56 78.121 -23.629 -19.762 1.00 0.00 C ATOM 881 O VAL A 56 78.908 -24.384 -19.192 1.00 0.00 O ATOM 882 CB VAL A 56 75.879 -23.568 -18.658 1.00 0.00 C ATOM 883 CG1 VAL A 56 76.533 -24.169 -17.413 1.00 0.00 C ATOM 884 CG2 VAL A 56 75.894 -22.041 -18.552 1.00 0.00 C ATOM 0 H VAL A 56 76.943 -26.013 -19.395 1.00 0.00 H new ATOM 0 HA VAL A 56 76.239 -23.481 -20.776 1.00 0.00 H new ATOM 0 HB VAL A 56 74.850 -23.921 -18.731 1.00 0.00 H new ATOM 0 HG11 VAL A 56 75.980 -23.859 -16.526 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.522 -25.257 -17.485 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.563 -23.820 -17.339 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.346 -21.733 -17.662 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.924 -21.691 -18.483 1.00 0.00 H new ATOM 0 HG23 VAL A 56 75.423 -21.610 -19.436 1.00 0.00 H new ATOM 894 N ARG A 57 78.486 -22.467 -20.290 1.00 0.00 N ATOM 895 CA ARG A 57 79.868 -22.010 -20.222 1.00 0.00 C ATOM 896 C ARG A 57 79.992 -20.823 -19.274 1.00 0.00 C ATOM 897 O ARG A 57 79.046 -20.058 -19.100 1.00 0.00 O ATOM 898 CB ARG A 57 80.348 -21.601 -21.617 1.00 0.00 C ATOM 899 CG ARG A 57 80.322 -22.820 -22.543 1.00 0.00 C ATOM 900 CD ARG A 57 80.860 -22.427 -23.921 1.00 0.00 C ATOM 901 NE ARG A 57 80.647 -23.509 -24.877 1.00 0.00 N ATOM 902 CZ ARG A 57 80.719 -23.292 -26.186 1.00 0.00 C ATOM 903 NH1 ARG A 57 80.974 -22.094 -26.637 1.00 0.00 N ATOM 904 NH2 ARG A 57 80.533 -24.277 -27.023 1.00 0.00 N ATOM 0 H ARG A 57 77.849 -21.828 -20.767 1.00 0.00 H new ATOM 0 HA ARG A 57 80.485 -22.827 -19.847 1.00 0.00 H new ATOM 0 HB2 ARG A 57 79.709 -20.813 -22.017 1.00 0.00 H new ATOM 0 HB3 ARG A 57 81.358 -21.195 -21.561 1.00 0.00 H new ATOM 0 HG2 ARG A 57 80.926 -23.623 -22.121 1.00 0.00 H new ATOM 0 HG3 ARG A 57 79.304 -23.200 -22.633 1.00 0.00 H new ATOM 0 HD2 ARG A 57 80.361 -21.522 -24.269 1.00 0.00 H new ATOM 0 HD3 ARG A 57 81.923 -22.198 -23.852 1.00 0.00 H new ATOM 0 HE ARG A 57 80.439 -24.447 -24.535 1.00 0.00 H new ATOM 0 HH11 ARG A 57 81.118 -21.323 -25.984 1.00 0.00 H new ATOM 0 HH12 ARG A 57 81.029 -21.928 -27.642 1.00 0.00 H new ATOM 0 HH21 ARG A 57 80.332 -25.213 -26.672 1.00 0.00 H new ATOM 0 HH22 ARG A 57 80.588 -24.110 -28.028 1.00 0.00 H new ATOM 918 N GLN A 58 81.164 -20.680 -18.665 1.00 0.00 N ATOM 919 CA GLN A 58 81.393 -19.580 -17.735 1.00 0.00 C ATOM 920 C GLN A 58 82.752 -18.935 -17.979 1.00 0.00 C ATOM 921 O GLN A 58 83.647 -19.549 -18.561 1.00 0.00 O ATOM 922 CB GLN A 58 81.319 -20.091 -16.296 1.00 0.00 C ATOM 923 CG GLN A 58 82.494 -21.034 -16.028 1.00 0.00 C ATOM 924 CD GLN A 58 82.292 -21.755 -14.698 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.180 -22.178 -14.384 1.00 0.00 O ATOM 926 NE2 GLN A 58 83.308 -21.920 -13.895 1.00 0.00 N ATOM 0 H GLN A 58 81.961 -21.303 -18.796 1.00 0.00 H new ATOM 0 HA GLN A 58 80.619 -18.830 -17.897 1.00 0.00 H new ATOM 0 HB2 GLN A 58 81.345 -19.253 -15.599 1.00 0.00 H new ATOM 0 HB3 GLN A 58 80.376 -20.612 -16.132 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.579 -21.761 -16.836 1.00 0.00 H new ATOM 0 HG3 GLN A 58 83.426 -20.470 -16.007 1.00 0.00 H new ATOM 0 HE21 GLN A 58 84.229 -21.568 -14.158 1.00 0.00 H new ATOM 0 HE22 GLN A 58 83.181 -22.401 -13.004 1.00 0.00 H new ATOM 935 N TYR A 59 82.899 -17.691 -17.528 1.00 0.00 N ATOM 936 CA TYR A 59 84.157 -16.972 -17.704 1.00 0.00 C ATOM 937 C TYR A 59 84.758 -16.609 -16.349 1.00 0.00 C ATOM 938 O TYR A 59 84.065 -16.106 -15.464 1.00 0.00 O ATOM 939 CB TYR A 59 83.920 -15.700 -18.518 1.00 0.00 C ATOM 940 CG TYR A 59 85.096 -15.468 -19.437 1.00 0.00 C ATOM 941 CD1 TYR A 59 86.251 -14.844 -18.954 1.00 0.00 C ATOM 942 CD2 TYR A 59 85.029 -15.881 -20.773 1.00 0.00 C ATOM 943 CE1 TYR A 59 87.341 -14.633 -19.807 1.00 0.00 C ATOM 944 CE2 TYR A 59 86.118 -15.669 -21.626 1.00 0.00 C ATOM 945 CZ TYR A 59 87.274 -15.044 -21.144 1.00 0.00 C ATOM 946 OH TYR A 59 88.348 -14.837 -21.985 1.00 0.00 O ATOM 0 H TYR A 59 82.171 -17.166 -17.043 1.00 0.00 H new ATOM 0 HA TYR A 59 84.854 -17.618 -18.237 1.00 0.00 H new ATOM 0 HB2 TYR A 59 83.002 -15.792 -19.099 1.00 0.00 H new ATOM 0 HB3 TYR A 59 83.791 -14.847 -17.852 1.00 0.00 H new ATOM 0 HD1 TYR A 59 86.302 -14.525 -17.923 1.00 0.00 H new ATOM 0 HD2 TYR A 59 84.137 -16.363 -21.145 1.00 0.00 H new ATOM 0 HE1 TYR A 59 88.234 -14.153 -19.434 1.00 0.00 H new ATOM 0 HE2 TYR A 59 86.066 -15.988 -22.657 1.00 0.00 H new ATOM 0 HH TYR A 59 88.023 -14.612 -22.882 1.00 0.00 H new ATOM 956 N ASP A 60 86.051 -16.874 -16.191 1.00 0.00 N ATOM 957 CA ASP A 60 86.737 -16.579 -14.937 1.00 0.00 C ATOM 958 C ASP A 60 87.725 -15.427 -15.106 1.00 0.00 C ATOM 959 O ASP A 60 88.203 -15.160 -16.209 1.00 0.00 O ATOM 960 CB ASP A 60 87.485 -17.821 -14.449 1.00 0.00 C ATOM 961 CG ASP A 60 86.492 -18.915 -14.071 1.00 0.00 C ATOM 962 OD1 ASP A 60 85.327 -18.596 -13.904 1.00 0.00 O ATOM 963 OD2 ASP A 60 86.911 -20.054 -13.953 1.00 0.00 O ATOM 0 H ASP A 60 86.642 -17.290 -16.911 1.00 0.00 H new ATOM 0 HA ASP A 60 85.986 -16.286 -14.203 1.00 0.00 H new ATOM 0 HB2 ASP A 60 88.156 -18.181 -15.229 1.00 0.00 H new ATOM 0 HB3 ASP A 60 88.104 -17.568 -13.588 1.00 0.00 H new ATOM 968 N GLN A 61 88.036 -14.759 -13.998 1.00 0.00 N ATOM 969 CA GLN A 61 88.980 -13.647 -14.018 1.00 0.00 C ATOM 970 C GLN A 61 88.418 -12.460 -14.797 1.00 0.00 C ATOM 971 O GLN A 61 89.163 -11.728 -15.448 1.00 0.00 O ATOM 972 CB GLN A 61 90.296 -14.102 -14.658 1.00 0.00 C ATOM 973 CG GLN A 61 91.431 -13.167 -14.236 1.00 0.00 C ATOM 974 CD GLN A 61 91.837 -13.458 -12.795 1.00 0.00 C ATOM 975 OE1 GLN A 61 92.228 -14.581 -12.474 1.00 0.00 O ATOM 976 NE2 GLN A 61 91.770 -12.508 -11.904 1.00 0.00 N ATOM 0 H GLN A 61 87.649 -14.968 -13.078 1.00 0.00 H new ATOM 0 HA GLN A 61 89.156 -13.330 -12.990 1.00 0.00 H new ATOM 0 HB2 GLN A 61 90.523 -15.124 -14.355 1.00 0.00 H new ATOM 0 HB3 GLN A 61 90.200 -14.105 -15.744 1.00 0.00 H new ATOM 0 HG2 GLN A 61 92.287 -13.299 -14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 61 91.112 -12.129 -14.330 1.00 0.00 H new ATOM 0 HE21 GLN A 61 91.446 -11.579 -12.173 1.00 0.00 H new ATOM 0 HE22 GLN A 61 92.042 -12.694 -10.939 1.00 0.00 H new ATOM 985 N ILE A 62 87.103 -12.275 -14.737 1.00 0.00 N ATOM 986 CA ILE A 62 86.469 -11.174 -15.454 1.00 0.00 C ATOM 987 C ILE A 62 85.944 -10.123 -14.480 1.00 0.00 C ATOM 988 O ILE A 62 85.447 -10.452 -13.399 1.00 0.00 O ATOM 989 CB ILE A 62 85.314 -11.701 -16.307 1.00 0.00 C ATOM 990 CG1 ILE A 62 84.708 -10.547 -17.112 1.00 0.00 C ATOM 991 CG2 ILE A 62 84.242 -12.307 -15.400 1.00 0.00 C ATOM 992 CD1 ILE A 62 83.700 -11.098 -18.125 1.00 0.00 C ATOM 0 H ILE A 62 86.462 -12.865 -14.206 1.00 0.00 H new ATOM 0 HA ILE A 62 87.217 -10.712 -16.098 1.00 0.00 H new ATOM 0 HB ILE A 62 85.686 -12.466 -16.989 1.00 0.00 H new ATOM 0 HG12 ILE A 62 84.216 -9.842 -16.442 1.00 0.00 H new ATOM 0 HG13 ILE A 62 85.495 -9.999 -17.629 1.00 0.00 H new ATOM 0 HG21 ILE A 62 83.420 -12.682 -16.009 1.00 0.00 H new ATOM 0 HG22 ILE A 62 84.672 -13.128 -14.826 1.00 0.00 H new ATOM 0 HG23 ILE A 62 83.869 -11.544 -14.717 1.00 0.00 H new ATOM 0 HD11 ILE A 62 83.271 -10.275 -18.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 84.205 -11.786 -18.803 1.00 0.00 H new ATOM 0 HD13 ILE A 62 82.906 -11.626 -17.598 1.00 0.00 H new ATOM 1004 N ILE A 63 86.064 -8.856 -14.873 1.00 0.00 N ATOM 1005 CA ILE A 63 85.606 -7.756 -14.034 1.00 0.00 C ATOM 1006 C ILE A 63 84.366 -7.103 -14.630 1.00 0.00 C ATOM 1007 O ILE A 63 84.298 -6.859 -15.835 1.00 0.00 O ATOM 1008 CB ILE A 63 86.700 -6.698 -13.901 1.00 0.00 C ATOM 1009 CG1 ILE A 63 87.989 -7.349 -13.396 1.00 0.00 C ATOM 1010 CG2 ILE A 63 86.245 -5.625 -12.908 1.00 0.00 C ATOM 1011 CD1 ILE A 63 89.071 -6.277 -13.242 1.00 0.00 C ATOM 0 H ILE A 63 86.473 -8.569 -15.763 1.00 0.00 H new ATOM 0 HA ILE A 63 85.365 -8.165 -13.053 1.00 0.00 H new ATOM 0 HB ILE A 63 86.886 -6.243 -14.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 87.811 -7.842 -12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 63 88.319 -8.118 -14.094 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.022 -4.867 -12.809 1.00 0.00 H new ATOM 0 HG22 ILE A 63 85.328 -5.159 -13.270 1.00 0.00 H new ATOM 0 HG23 ILE A 63 86.060 -6.083 -11.937 1.00 0.00 H new ATOM 0 HD11 ILE A 63 89.991 -6.738 -12.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 89.255 -5.805 -14.207 1.00 0.00 H new ATOM 0 HD13 ILE A 63 88.738 -5.524 -12.527 1.00 0.00 H new ATOM 1023 N ILE A 64 83.393 -6.813 -13.776 1.00 0.00 N ATOM 1024 CA ILE A 64 82.162 -6.174 -14.222 1.00 0.00 C ATOM 1025 C ILE A 64 81.869 -4.937 -13.379 1.00 0.00 C ATOM 1026 O ILE A 64 82.270 -4.862 -12.217 1.00 0.00 O ATOM 1027 CB ILE A 64 80.998 -7.165 -14.117 1.00 0.00 C ATOM 1028 CG1 ILE A 64 80.758 -7.527 -12.646 1.00 0.00 C ATOM 1029 CG2 ILE A 64 81.335 -8.435 -14.901 1.00 0.00 C ATOM 1030 CD1 ILE A 64 79.554 -8.464 -12.540 1.00 0.00 C ATOM 0 H ILE A 64 83.432 -7.009 -12.776 1.00 0.00 H new ATOM 0 HA ILE A 64 82.282 -5.867 -15.261 1.00 0.00 H new ATOM 0 HB ILE A 64 80.099 -6.707 -14.530 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.644 -8.007 -12.230 1.00 0.00 H new ATOM 0 HG13 ILE A 64 80.581 -6.623 -12.062 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.507 -9.140 -14.826 1.00 0.00 H new ATOM 0 HG22 ILE A 64 81.503 -8.182 -15.948 1.00 0.00 H new ATOM 0 HG23 ILE A 64 82.236 -8.889 -14.488 1.00 0.00 H new ATOM 0 HD11 ILE A 64 79.384 -8.721 -11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 64 78.670 -7.967 -12.940 1.00 0.00 H new ATOM 0 HD13 ILE A 64 79.749 -9.373 -13.110 1.00 0.00 H new ATOM 1042 N GLU A 65 81.156 -3.975 -13.957 1.00 0.00 N ATOM 1043 CA GLU A 65 80.809 -2.761 -13.228 1.00 0.00 C ATOM 1044 C GLU A 65 79.301 -2.709 -12.995 1.00 0.00 C ATOM 1045 O GLU A 65 78.518 -2.754 -13.944 1.00 0.00 O ATOM 1046 CB GLU A 65 81.255 -1.525 -14.012 1.00 0.00 C ATOM 1047 CG GLU A 65 82.776 -1.546 -14.179 1.00 0.00 C ATOM 1048 CD GLU A 65 83.241 -0.279 -14.892 1.00 0.00 C ATOM 1049 OE1 GLU A 65 82.391 0.454 -15.369 1.00 0.00 O ATOM 1050 OE2 GLU A 65 84.440 -0.063 -14.950 1.00 0.00 O ATOM 0 H GLU A 65 80.811 -4.011 -14.916 1.00 0.00 H new ATOM 0 HA GLU A 65 81.322 -2.771 -12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 65 80.772 -1.507 -14.989 1.00 0.00 H new ATOM 0 HB3 GLU A 65 80.949 -0.619 -13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 65 83.256 -1.621 -13.203 1.00 0.00 H new ATOM 0 HG3 GLU A 65 83.075 -2.425 -14.750 1.00 0.00 H new ATOM 1057 N ILE A 66 78.903 -2.609 -11.729 1.00 0.00 N ATOM 1058 CA ILE A 66 77.483 -2.556 -11.388 1.00 0.00 C ATOM 1059 C ILE A 66 77.145 -1.276 -10.625 1.00 0.00 C ATOM 1060 O ILE A 66 77.706 -1.012 -9.562 1.00 0.00 O ATOM 1061 CB ILE A 66 77.111 -3.761 -10.519 1.00 0.00 C ATOM 1062 CG1 ILE A 66 77.541 -5.064 -11.207 1.00 0.00 C ATOM 1063 CG2 ILE A 66 75.598 -3.780 -10.288 1.00 0.00 C ATOM 1064 CD1 ILE A 66 76.920 -5.163 -12.605 1.00 0.00 C ATOM 0 H ILE A 66 79.535 -2.563 -10.930 1.00 0.00 H new ATOM 0 HA ILE A 66 76.916 -2.572 -12.319 1.00 0.00 H new ATOM 0 HB ILE A 66 77.626 -3.679 -9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 66 78.628 -5.101 -11.282 1.00 0.00 H new ATOM 0 HG13 ILE A 66 77.234 -5.919 -10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 66 75.335 -4.638 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 66 75.295 -2.863 -9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 66 75.084 -3.853 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 77.235 -6.093 -13.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 75.833 -5.148 -12.522 1.00 0.00 H new ATOM 0 HD13 ILE A 66 77.249 -4.318 -13.210 1.00 0.00 H new ATOM 1076 N ALA A 67 76.218 -0.491 -11.168 1.00 0.00 N ATOM 1077 CA ALA A 67 75.808 0.751 -10.520 1.00 0.00 C ATOM 1078 C ALA A 67 76.970 1.736 -10.439 1.00 0.00 C ATOM 1079 O ALA A 67 76.907 2.832 -10.996 1.00 0.00 O ATOM 1080 CB ALA A 67 75.293 0.456 -9.111 1.00 0.00 C ATOM 0 H ALA A 67 75.740 -0.690 -12.047 1.00 0.00 H new ATOM 0 HA ALA A 67 75.014 1.199 -11.117 1.00 0.00 H new ATOM 0 HB1 ALA A 67 74.989 1.387 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 67 74.439 -0.218 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.084 -0.011 -8.525 1.00 0.00 H new ATOM 1086 N GLY A 68 78.028 1.339 -9.744 1.00 0.00 N ATOM 1087 CA GLY A 68 79.196 2.198 -9.599 1.00 0.00 C ATOM 1088 C GLY A 68 80.267 1.534 -8.743 1.00 0.00 C ATOM 1089 O GLY A 68 81.088 2.213 -8.125 1.00 0.00 O ATOM 0 H GLY A 68 78.102 0.436 -9.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 79.605 2.429 -10.583 1.00 0.00 H new ATOM 0 HA3 GLY A 68 78.900 3.144 -9.146 1.00 0.00 H new ATOM 1093 N HIS A 69 80.257 0.206 -8.708 1.00 0.00 N ATOM 1094 CA HIS A 69 81.236 -0.532 -7.922 1.00 0.00 C ATOM 1095 C HIS A 69 81.925 -1.584 -8.780 1.00 0.00 C ATOM 1096 O HIS A 69 81.289 -2.244 -9.603 1.00 0.00 O ATOM 1097 CB HIS A 69 80.555 -1.210 -6.733 1.00 0.00 C ATOM 1098 CG HIS A 69 81.588 -1.949 -5.927 1.00 0.00 C ATOM 1099 ND1 HIS A 69 82.521 -1.290 -5.142 1.00 0.00 N ATOM 1100 CD2 HIS A 69 81.855 -3.288 -5.782 1.00 0.00 C ATOM 1101 CE1 HIS A 69 83.299 -2.224 -4.567 1.00 0.00 C ATOM 1102 NE2 HIS A 69 82.937 -3.460 -4.923 1.00 0.00 N ATOM 0 H HIS A 69 79.587 -0.377 -9.211 1.00 0.00 H new ATOM 0 HA HIS A 69 81.983 0.173 -7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 69 80.056 -0.466 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 69 79.787 -1.900 -7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 69 81.309 -4.087 -6.262 1.00 0.00 H new ATOM 0 HE1 HIS A 69 84.117 -2.002 -3.898 1.00 0.00 H new ATOM 0 HE2 HIS A 69 83.362 -4.340 -4.629 1.00 0.00 H new ATOM 1111 N LYS A 70 83.227 -1.736 -8.583 1.00 0.00 N ATOM 1112 CA LYS A 70 83.998 -2.709 -9.343 1.00 0.00 C ATOM 1113 C LYS A 70 84.020 -4.050 -8.618 1.00 0.00 C ATOM 1114 O LYS A 70 84.420 -4.131 -7.456 1.00 0.00 O ATOM 1115 CB LYS A 70 85.424 -2.190 -9.517 1.00 0.00 C ATOM 1116 CG LYS A 70 85.387 -0.864 -10.282 1.00 0.00 C ATOM 1117 CD LYS A 70 86.235 0.174 -9.544 1.00 0.00 C ATOM 1118 CE LYS A 70 86.136 1.519 -10.266 1.00 0.00 C ATOM 1119 NZ LYS A 70 86.569 2.607 -9.344 1.00 0.00 N ATOM 0 H LYS A 70 83.770 -1.200 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 70 83.536 -2.851 -10.320 1.00 0.00 H new ATOM 0 HB2 LYS A 70 85.894 -2.049 -8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 70 86.026 -2.920 -10.059 1.00 0.00 H new ATOM 0 HG2 LYS A 70 85.765 -1.005 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 70 84.359 -0.512 -10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 70 85.891 0.275 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 70 87.274 -0.153 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 86.762 1.512 -11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 70 85.112 1.693 -10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 86.503 3.523 -9.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 85.954 2.617 -8.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 87.553 2.442 -9.050 1.00 0.00 H new ATOM 1133 N ALA A 71 83.589 -5.101 -9.308 1.00 0.00 N ATOM 1134 CA ALA A 71 83.563 -6.432 -8.713 1.00 0.00 C ATOM 1135 C ALA A 71 84.220 -7.447 -9.641 1.00 0.00 C ATOM 1136 O ALA A 71 84.079 -7.370 -10.862 1.00 0.00 O ATOM 1137 CB ALA A 71 82.118 -6.851 -8.439 1.00 0.00 C ATOM 0 H ALA A 71 83.256 -5.058 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 71 84.118 -6.402 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 71 82.106 -7.846 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 81.657 -6.141 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 71 81.559 -6.865 -9.375 1.00 0.00 H new ATOM 1143 N ILE A 72 84.940 -8.397 -9.054 1.00 0.00 N ATOM 1144 CA ILE A 72 85.614 -9.420 -9.842 1.00 0.00 C ATOM 1145 C ILE A 72 85.183 -10.813 -9.390 1.00 0.00 C ATOM 1146 O ILE A 72 85.133 -11.098 -8.193 1.00 0.00 O ATOM 1147 CB ILE A 72 87.132 -9.257 -9.695 1.00 0.00 C ATOM 1148 CG1 ILE A 72 87.587 -9.743 -8.314 1.00 0.00 C ATOM 1149 CG2 ILE A 72 87.494 -7.779 -9.842 1.00 0.00 C ATOM 1150 CD1 ILE A 72 89.088 -9.487 -8.158 1.00 0.00 C ATOM 0 H ILE A 72 85.071 -8.479 -8.046 1.00 0.00 H new ATOM 0 HA ILE A 72 85.339 -9.303 -10.890 1.00 0.00 H new ATOM 0 HB ILE A 72 87.628 -9.848 -10.465 1.00 0.00 H new ATOM 0 HG12 ILE A 72 87.034 -9.222 -7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 72 87.374 -10.806 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 72 88.572 -7.656 -9.738 1.00 0.00 H new ATOM 0 HG22 ILE A 72 87.181 -7.424 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 72 86.987 -7.202 -9.069 1.00 0.00 H new ATOM 0 HD11 ILE A 72 89.416 -9.831 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 72 89.632 -10.028 -8.933 1.00 0.00 H new ATOM 0 HD13 ILE A 72 89.287 -8.420 -8.253 1.00 0.00 H new ATOM 1162 N GLY A 73 84.869 -11.678 -10.349 1.00 0.00 N ATOM 1163 CA GLY A 73 84.444 -13.032 -10.011 1.00 0.00 C ATOM 1164 C GLY A 73 83.982 -13.802 -11.243 1.00 0.00 C ATOM 1165 O GLY A 73 84.053 -13.304 -12.366 1.00 0.00 O ATOM 0 H GLY A 73 84.899 -11.472 -11.348 1.00 0.00 H new ATOM 0 HA2 GLY A 73 85.269 -13.565 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 73 83.633 -12.988 -9.284 1.00 0.00 H new ATOM 1169 N THR A 74 83.510 -15.023 -11.014 1.00 0.00 N ATOM 1170 CA THR A 74 83.034 -15.873 -12.099 1.00 0.00 C ATOM 1171 C THR A 74 81.637 -15.452 -12.541 1.00 0.00 C ATOM 1172 O THR A 74 80.805 -15.065 -11.720 1.00 0.00 O ATOM 1173 CB THR A 74 83.008 -17.332 -11.639 1.00 0.00 C ATOM 1174 OG1 THR A 74 84.296 -17.701 -11.167 1.00 0.00 O ATOM 1175 CG2 THR A 74 82.614 -18.234 -12.810 1.00 0.00 C ATOM 0 H THR A 74 83.447 -15.446 -10.088 1.00 0.00 H new ATOM 0 HA THR A 74 83.714 -15.767 -12.944 1.00 0.00 H new ATOM 0 HB THR A 74 82.279 -17.446 -10.836 1.00 0.00 H new ATOM 0 HG1 THR A 74 84.834 -18.038 -11.914 1.00 0.00 H new ATOM 0 HG21 THR A 74 82.596 -19.273 -12.479 1.00 0.00 H new ATOM 0 HG22 THR A 74 81.625 -17.951 -13.170 1.00 0.00 H new ATOM 0 HG23 THR A 74 83.340 -18.122 -13.616 1.00 0.00 H new ATOM 1183 N VAL A 75 81.382 -15.540 -13.842 1.00 0.00 N ATOM 1184 CA VAL A 75 80.077 -15.177 -14.379 1.00 0.00 C ATOM 1185 C VAL A 75 79.620 -16.204 -15.407 1.00 0.00 C ATOM 1186 O VAL A 75 80.079 -16.202 -16.552 1.00 0.00 O ATOM 1187 CB VAL A 75 80.145 -13.795 -15.031 1.00 0.00 C ATOM 1188 CG1 VAL A 75 81.181 -13.813 -16.158 1.00 0.00 C ATOM 1189 CG2 VAL A 75 78.772 -13.435 -15.604 1.00 0.00 C ATOM 0 H VAL A 75 82.056 -15.857 -14.539 1.00 0.00 H new ATOM 0 HA VAL A 75 79.360 -15.155 -13.558 1.00 0.00 H new ATOM 0 HB VAL A 75 80.433 -13.054 -14.285 1.00 0.00 H new ATOM 0 HG11 VAL A 75 81.230 -12.828 -16.623 1.00 0.00 H new ATOM 0 HG12 VAL A 75 82.158 -14.070 -15.750 1.00 0.00 H new ATOM 0 HG13 VAL A 75 80.893 -14.553 -16.905 1.00 0.00 H new ATOM 0 HG21 VAL A 75 78.819 -12.450 -16.069 1.00 0.00 H new ATOM 0 HG22 VAL A 75 78.484 -14.175 -16.350 1.00 0.00 H new ATOM 0 HG23 VAL A 75 78.035 -13.423 -14.801 1.00 0.00 H new ATOM 1199 N LEU A 76 78.738 -17.103 -14.982 1.00 0.00 N ATOM 1200 CA LEU A 76 78.248 -18.154 -15.862 1.00 0.00 C ATOM 1201 C LEU A 76 77.498 -17.575 -17.058 1.00 0.00 C ATOM 1202 O LEU A 76 76.699 -16.648 -16.924 1.00 0.00 O ATOM 1203 CB LEU A 76 77.316 -19.088 -15.087 1.00 0.00 C ATOM 1204 CG LEU A 76 78.073 -19.708 -13.910 1.00 0.00 C ATOM 1205 CD1 LEU A 76 77.669 -19.004 -12.612 1.00 0.00 C ATOM 1206 CD2 LEU A 76 77.726 -21.195 -13.811 1.00 0.00 C ATOM 0 H LEU A 76 78.351 -17.124 -14.039 1.00 0.00 H new ATOM 0 HA LEU A 76 79.111 -18.709 -16.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 76.450 -18.535 -14.724 1.00 0.00 H new ATOM 0 HB3 LEU A 76 76.941 -19.872 -15.745 1.00 0.00 H new ATOM 0 HG LEU A 76 79.145 -19.592 -14.066 1.00 0.00 H new ATOM 0 HD11 LEU A 76 78.209 -19.447 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 76 77.913 -17.944 -12.682 1.00 0.00 H new ATOM 0 HD13 LEU A 76 76.597 -19.119 -12.454 1.00 0.00 H new ATOM 0 HD21 LEU A 76 78.264 -21.639 -12.973 1.00 0.00 H new ATOM 0 HD22 LEU A 76 76.653 -21.309 -13.655 1.00 0.00 H new ATOM 0 HD23 LEU A 76 78.013 -21.698 -14.734 1.00 0.00 H new ATOM 1218 N VAL A 77 77.769 -18.145 -18.225 1.00 0.00 N ATOM 1219 CA VAL A 77 77.125 -17.705 -19.458 1.00 0.00 C ATOM 1220 C VAL A 77 76.277 -18.831 -20.041 1.00 0.00 C ATOM 1221 O VAL A 77 76.743 -19.960 -20.189 1.00 0.00 O ATOM 1222 CB VAL A 77 78.182 -17.278 -20.478 1.00 0.00 C ATOM 1223 CG1 VAL A 77 77.490 -16.723 -21.724 1.00 0.00 C ATOM 1224 CG2 VAL A 77 79.074 -16.194 -19.868 1.00 0.00 C ATOM 0 H VAL A 77 78.430 -18.913 -18.345 1.00 0.00 H new ATOM 0 HA VAL A 77 76.481 -16.855 -19.230 1.00 0.00 H new ATOM 0 HB VAL A 77 78.792 -18.139 -20.751 1.00 0.00 H new ATOM 0 HG11 VAL A 77 78.242 -16.418 -22.452 1.00 0.00 H new ATOM 0 HG12 VAL A 77 76.854 -17.493 -22.160 1.00 0.00 H new ATOM 0 HG13 VAL A 77 76.881 -15.862 -21.449 1.00 0.00 H new ATOM 0 HG21 VAL A 77 79.827 -15.890 -20.595 1.00 0.00 H new ATOM 0 HG22 VAL A 77 78.465 -15.332 -19.595 1.00 0.00 H new ATOM 0 HG23 VAL A 77 79.567 -16.586 -18.978 1.00 0.00 H new ATOM 1234 N GLY A 78 75.026 -18.519 -20.368 1.00 0.00 N ATOM 1235 CA GLY A 78 74.126 -19.522 -20.926 1.00 0.00 C ATOM 1236 C GLY A 78 73.355 -18.972 -22.124 1.00 0.00 C ATOM 1237 O GLY A 78 73.318 -17.764 -22.352 1.00 0.00 O ATOM 0 H GLY A 78 74.617 -17.591 -20.258 1.00 0.00 H new ATOM 0 HA2 GLY A 78 74.699 -20.398 -21.231 1.00 0.00 H new ATOM 0 HA3 GLY A 78 73.424 -19.851 -20.159 1.00 0.00 H new ATOM 1241 N PRO A 79 72.751 -19.843 -22.885 1.00 0.00 N ATOM 1242 CA PRO A 79 71.961 -19.460 -24.096 1.00 0.00 C ATOM 1243 C PRO A 79 70.705 -18.653 -23.761 1.00 0.00 C ATOM 1244 O PRO A 79 70.134 -17.995 -24.630 1.00 0.00 O ATOM 1245 CB PRO A 79 71.589 -20.802 -24.733 1.00 0.00 C ATOM 1246 CG PRO A 79 71.687 -21.809 -23.635 1.00 0.00 C ATOM 1247 CD PRO A 79 72.754 -21.298 -22.672 1.00 0.00 C ATOM 0 HA PRO A 79 72.537 -18.810 -24.755 1.00 0.00 H new ATOM 0 HB2 PRO A 79 70.582 -20.773 -25.149 1.00 0.00 H new ATOM 0 HB3 PRO A 79 72.265 -21.048 -25.552 1.00 0.00 H new ATOM 0 HG2 PRO A 79 70.729 -21.924 -23.127 1.00 0.00 H new ATOM 0 HG3 PRO A 79 71.958 -22.788 -24.030 1.00 0.00 H new ATOM 0 HD2 PRO A 79 72.515 -21.552 -21.639 1.00 0.00 H new ATOM 0 HD3 PRO A 79 73.730 -21.732 -22.889 1.00 0.00 H new ATOM 1255 N THR A 80 70.271 -18.714 -22.505 1.00 0.00 N ATOM 1256 CA THR A 80 69.073 -17.989 -22.089 1.00 0.00 C ATOM 1257 C THR A 80 69.186 -16.506 -22.460 1.00 0.00 C ATOM 1258 O THR A 80 70.256 -15.912 -22.325 1.00 0.00 O ATOM 1259 CB THR A 80 68.882 -18.123 -20.577 1.00 0.00 C ATOM 1260 OG1 THR A 80 67.711 -17.420 -20.185 1.00 0.00 O ATOM 1261 CG2 THR A 80 70.095 -17.540 -19.852 1.00 0.00 C ATOM 0 H THR A 80 70.724 -19.251 -21.765 1.00 0.00 H new ATOM 0 HA THR A 80 68.214 -18.418 -22.605 1.00 0.00 H new ATOM 0 HB THR A 80 68.779 -19.176 -20.317 1.00 0.00 H new ATOM 0 HG1 THR A 80 67.586 -17.506 -19.217 1.00 0.00 H new ATOM 0 HG21 THR A 80 69.956 -17.637 -18.775 1.00 0.00 H new ATOM 0 HG22 THR A 80 70.993 -18.080 -20.152 1.00 0.00 H new ATOM 0 HG23 THR A 80 70.202 -16.487 -20.111 1.00 0.00 H new ATOM 1269 N PRO A 81 68.117 -15.893 -22.921 1.00 0.00 N ATOM 1270 CA PRO A 81 68.126 -14.452 -23.312 1.00 0.00 C ATOM 1271 C PRO A 81 68.178 -13.517 -22.105 1.00 0.00 C ATOM 1272 O PRO A 81 67.784 -13.889 -21.000 1.00 0.00 O ATOM 1273 CB PRO A 81 66.815 -14.274 -24.077 1.00 0.00 C ATOM 1274 CG PRO A 81 65.901 -15.322 -23.537 1.00 0.00 C ATOM 1275 CD PRO A 81 66.787 -16.498 -23.122 1.00 0.00 C ATOM 0 HA PRO A 81 69.009 -14.200 -23.899 1.00 0.00 H new ATOM 0 HB2 PRO A 81 66.403 -13.276 -23.925 1.00 0.00 H new ATOM 0 HB3 PRO A 81 66.965 -14.397 -25.150 1.00 0.00 H new ATOM 0 HG2 PRO A 81 65.336 -14.943 -22.686 1.00 0.00 H new ATOM 0 HG3 PRO A 81 65.175 -15.630 -24.290 1.00 0.00 H new ATOM 0 HD2 PRO A 81 66.422 -16.970 -22.210 1.00 0.00 H new ATOM 0 HD3 PRO A 81 66.812 -17.269 -23.892 1.00 0.00 H new ATOM 1283 N VAL A 82 68.658 -12.295 -22.332 1.00 0.00 N ATOM 1284 CA VAL A 82 68.747 -11.302 -21.266 1.00 0.00 C ATOM 1285 C VAL A 82 69.755 -11.729 -20.199 1.00 0.00 C ATOM 1286 O VAL A 82 70.347 -12.808 -20.279 1.00 0.00 O ATOM 1287 CB VAL A 82 67.363 -11.109 -20.629 1.00 0.00 C ATOM 1288 CG1 VAL A 82 67.317 -9.806 -19.821 1.00 0.00 C ATOM 1289 CG2 VAL A 82 66.301 -11.056 -21.729 1.00 0.00 C ATOM 0 H VAL A 82 68.989 -11.971 -23.241 1.00 0.00 H new ATOM 0 HA VAL A 82 69.089 -10.361 -21.697 1.00 0.00 H new ATOM 0 HB VAL A 82 67.168 -11.946 -19.959 1.00 0.00 H new ATOM 0 HG11 VAL A 82 66.328 -9.687 -19.378 1.00 0.00 H new ATOM 0 HG12 VAL A 82 68.067 -9.841 -19.031 1.00 0.00 H new ATOM 0 HG13 VAL A 82 67.523 -8.962 -20.479 1.00 0.00 H new ATOM 0 HG21 VAL A 82 65.318 -10.919 -21.279 1.00 0.00 H new ATOM 0 HG22 VAL A 82 66.513 -10.223 -22.399 1.00 0.00 H new ATOM 0 HG23 VAL A 82 66.315 -11.988 -22.294 1.00 0.00 H new ATOM 1299 N ASN A 83 69.945 -10.873 -19.198 1.00 0.00 N ATOM 1300 CA ASN A 83 70.879 -11.176 -18.115 1.00 0.00 C ATOM 1301 C ASN A 83 70.192 -11.043 -16.757 1.00 0.00 C ATOM 1302 O ASN A 83 69.407 -10.120 -16.536 1.00 0.00 O ATOM 1303 CB ASN A 83 72.092 -10.238 -18.171 1.00 0.00 C ATOM 1304 CG ASN A 83 72.829 -10.424 -19.492 1.00 0.00 C ATOM 1305 OD1 ASN A 83 72.683 -11.457 -20.145 1.00 0.00 O ATOM 1306 ND2 ASN A 83 73.619 -9.480 -19.928 1.00 0.00 N ATOM 0 H ASN A 83 69.471 -9.974 -19.113 1.00 0.00 H new ATOM 0 HA ASN A 83 71.217 -12.204 -18.242 1.00 0.00 H new ATOM 0 HB2 ASN A 83 71.767 -9.203 -18.068 1.00 0.00 H new ATOM 0 HB3 ASN A 83 72.763 -10.446 -17.337 1.00 0.00 H new ATOM 0 HD21 ASN A 83 74.116 -9.598 -20.811 1.00 0.00 H new ATOM 0 HD22 ASN A 83 73.739 -8.624 -19.386 1.00 0.00 H new ATOM 1313 N ILE A 84 70.504 -11.962 -15.849 1.00 0.00 N ATOM 1314 CA ILE A 84 69.925 -11.935 -14.509 1.00 0.00 C ATOM 1315 C ILE A 84 71.030 -12.014 -13.460 1.00 0.00 C ATOM 1316 O ILE A 84 71.962 -12.806 -13.594 1.00 0.00 O ATOM 1317 CB ILE A 84 68.953 -13.105 -14.328 1.00 0.00 C ATOM 1318 CG1 ILE A 84 68.400 -13.093 -12.901 1.00 0.00 C ATOM 1319 CG2 ILE A 84 69.680 -14.427 -14.577 1.00 0.00 C ATOM 1320 CD1 ILE A 84 67.195 -14.033 -12.813 1.00 0.00 C ATOM 0 H ILE A 84 71.152 -12.732 -16.015 1.00 0.00 H new ATOM 0 HA ILE A 84 69.380 -11.000 -14.383 1.00 0.00 H new ATOM 0 HB ILE A 84 68.134 -13.003 -15.040 1.00 0.00 H new ATOM 0 HG12 ILE A 84 69.172 -13.407 -12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 84 68.107 -12.081 -12.622 1.00 0.00 H new ATOM 0 HG21 ILE A 84 68.984 -15.255 -14.447 1.00 0.00 H new ATOM 0 HG22 ILE A 84 70.073 -14.440 -15.593 1.00 0.00 H new ATOM 0 HG23 ILE A 84 70.502 -14.529 -13.868 1.00 0.00 H new ATOM 0 HD11 ILE A 84 66.801 -14.025 -11.797 1.00 0.00 H new ATOM 0 HD12 ILE A 84 66.422 -13.699 -13.505 1.00 0.00 H new ATOM 0 HD13 ILE A 84 67.503 -15.045 -13.074 1.00 0.00 H new ATOM 1332 N ILE A 85 70.925 -11.194 -12.420 1.00 0.00 N ATOM 1333 CA ILE A 85 71.935 -11.191 -11.365 1.00 0.00 C ATOM 1334 C ILE A 85 71.383 -11.815 -10.088 1.00 0.00 C ATOM 1335 O ILE A 85 70.298 -11.457 -9.631 1.00 0.00 O ATOM 1336 CB ILE A 85 72.391 -9.759 -11.078 1.00 0.00 C ATOM 1337 CG1 ILE A 85 72.905 -9.118 -12.371 1.00 0.00 C ATOM 1338 CG2 ILE A 85 73.513 -9.784 -10.041 1.00 0.00 C ATOM 1339 CD1 ILE A 85 73.224 -7.642 -12.120 1.00 0.00 C ATOM 0 H ILE A 85 70.162 -10.531 -12.284 1.00 0.00 H new ATOM 0 HA ILE A 85 72.785 -11.782 -11.706 1.00 0.00 H new ATOM 0 HB ILE A 85 71.552 -9.179 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 85 73.797 -9.640 -12.718 1.00 0.00 H new ATOM 0 HG13 ILE A 85 72.156 -9.210 -13.157 1.00 0.00 H new ATOM 0 HG21 ILE A 85 73.840 -8.765 -9.834 1.00 0.00 H new ATOM 0 HG22 ILE A 85 73.148 -10.242 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 85 74.352 -10.363 -10.427 1.00 0.00 H new ATOM 0 HD11 ILE A 85 73.590 -7.187 -13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 85 72.322 -7.125 -11.793 1.00 0.00 H new ATOM 0 HD13 ILE A 85 73.988 -7.561 -11.347 1.00 0.00 H new ATOM 1351 N GLY A 86 72.136 -12.754 -9.522 1.00 0.00 N ATOM 1352 CA GLY A 86 71.713 -13.431 -8.303 1.00 0.00 C ATOM 1353 C GLY A 86 72.182 -12.686 -7.056 1.00 0.00 C ATOM 1354 O GLY A 86 72.813 -11.630 -7.143 1.00 0.00 O ATOM 0 H GLY A 86 73.038 -13.061 -9.887 1.00 0.00 H new ATOM 0 HA2 GLY A 86 70.626 -13.515 -8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 86 72.111 -14.446 -8.293 1.00 0.00 H new ATOM 1358 N ARG A 87 71.861 -13.250 -5.895 1.00 0.00 N ATOM 1359 CA ARG A 87 72.242 -12.645 -4.625 1.00 0.00 C ATOM 1360 C ARG A 87 73.758 -12.634 -4.448 1.00 0.00 C ATOM 1361 O ARG A 87 74.288 -11.890 -3.622 1.00 0.00 O ATOM 1362 CB ARG A 87 71.605 -13.423 -3.470 1.00 0.00 C ATOM 1363 CG ARG A 87 72.180 -14.842 -3.429 1.00 0.00 C ATOM 1364 CD ARG A 87 71.477 -15.653 -2.337 1.00 0.00 C ATOM 1365 NE ARG A 87 70.114 -15.973 -2.742 1.00 0.00 N ATOM 1366 CZ ARG A 87 69.417 -16.919 -2.118 1.00 0.00 C ATOM 1367 NH1 ARG A 87 69.955 -17.582 -1.133 1.00 0.00 N ATOM 1368 NH2 ARG A 87 68.195 -17.185 -2.491 1.00 0.00 N ATOM 0 H ARG A 87 71.340 -14.122 -5.809 1.00 0.00 H new ATOM 0 HA ARG A 87 71.887 -11.615 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 87 71.797 -12.914 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.523 -13.461 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.048 -15.326 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.252 -14.805 -3.235 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.031 -16.571 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.463 -15.087 -1.406 1.00 0.00 H new ATOM 0 HE ARG A 87 69.688 -15.464 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 87 70.910 -17.375 -0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 87 69.421 -18.307 -0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 87 67.773 -16.667 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 87 67.662 -17.911 -2.012 1.00 0.00 H new ATOM 1382 N ASN A 88 74.452 -13.467 -5.218 1.00 0.00 N ATOM 1383 CA ASN A 88 75.907 -13.542 -5.117 1.00 0.00 C ATOM 1384 C ASN A 88 76.545 -12.175 -5.351 1.00 0.00 C ATOM 1385 O ASN A 88 77.303 -11.683 -4.514 1.00 0.00 O ATOM 1386 CB ASN A 88 76.446 -14.539 -6.144 1.00 0.00 C ATOM 1387 CG ASN A 88 77.919 -14.825 -5.874 1.00 0.00 C ATOM 1388 OD1 ASN A 88 78.270 -15.320 -4.803 1.00 0.00 O ATOM 1389 ND2 ASN A 88 78.806 -14.544 -6.789 1.00 0.00 N ATOM 0 H ASN A 88 74.038 -14.092 -5.910 1.00 0.00 H new ATOM 0 HA ASN A 88 76.161 -13.874 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 88 75.873 -15.465 -6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 88 76.324 -14.138 -7.150 1.00 0.00 H new ATOM 0 HD21 ASN A 88 79.793 -14.735 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 88 78.512 -14.134 -7.675 1.00 0.00 H new ATOM 1396 N LEU A 89 76.234 -11.566 -6.489 1.00 0.00 N ATOM 1397 CA LEU A 89 76.788 -10.254 -6.812 1.00 0.00 C ATOM 1398 C LEU A 89 76.098 -9.160 -6.004 1.00 0.00 C ATOM 1399 O LEU A 89 76.735 -8.192 -5.587 1.00 0.00 O ATOM 1400 CB LEU A 89 76.637 -9.966 -8.310 1.00 0.00 C ATOM 1401 CG LEU A 89 77.332 -11.061 -9.131 1.00 0.00 C ATOM 1402 CD1 LEU A 89 77.310 -10.678 -10.611 1.00 0.00 C ATOM 1403 CD2 LEU A 89 78.786 -11.213 -8.676 1.00 0.00 C ATOM 0 H LEU A 89 75.609 -11.952 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 89 77.847 -10.262 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 89 75.581 -9.918 -8.574 1.00 0.00 H new ATOM 0 HB3 LEU A 89 77.069 -8.994 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 89 76.806 -12.004 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 89 77.803 -11.455 -11.195 1.00 0.00 H new ATOM 0 HD12 LEU A 89 76.278 -10.574 -10.945 1.00 0.00 H new ATOM 0 HD13 LEU A 89 77.833 -9.732 -10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 89 79.272 -11.992 -9.264 1.00 0.00 H new ATOM 0 HD22 LEU A 89 79.312 -10.269 -8.819 1.00 0.00 H new ATOM 0 HD23 LEU A 89 78.810 -11.486 -7.621 1.00 0.00 H new ATOM 1415 N LEU A 90 74.795 -9.310 -5.789 1.00 0.00 N ATOM 1416 CA LEU A 90 74.043 -8.311 -5.034 1.00 0.00 C ATOM 1417 C LEU A 90 74.685 -8.088 -3.669 1.00 0.00 C ATOM 1418 O LEU A 90 74.747 -6.962 -3.175 1.00 0.00 O ATOM 1419 CB LEU A 90 72.602 -8.780 -4.839 1.00 0.00 C ATOM 1420 CG LEU A 90 71.740 -7.610 -4.362 1.00 0.00 C ATOM 1421 CD1 LEU A 90 71.073 -6.948 -5.569 1.00 0.00 C ATOM 1422 CD2 LEU A 90 70.664 -8.125 -3.403 1.00 0.00 C ATOM 0 H LEU A 90 74.243 -10.101 -6.121 1.00 0.00 H new ATOM 0 HA LEU A 90 74.051 -7.376 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.208 -9.176 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 90 72.568 -9.590 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 90 72.366 -6.882 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 90 70.458 -6.114 -5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 90 71.839 -6.582 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 90 70.446 -7.677 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.050 -7.291 -3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 90 70.036 -8.852 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 71.139 -8.599 -2.544 1.00 0.00 H new ATOM 1434 N THR A 91 75.158 -9.173 -3.064 1.00 0.00 N ATOM 1435 CA THR A 91 75.792 -9.096 -1.754 1.00 0.00 C ATOM 1436 C THR A 91 77.040 -8.219 -1.806 1.00 0.00 C ATOM 1437 O THR A 91 77.328 -7.477 -0.867 1.00 0.00 O ATOM 1438 CB THR A 91 76.171 -10.499 -1.273 1.00 0.00 C ATOM 1439 OG1 THR A 91 75.019 -11.332 -1.297 1.00 0.00 O ATOM 1440 CG2 THR A 91 76.717 -10.423 0.153 1.00 0.00 C ATOM 0 H THR A 91 75.114 -10.112 -3.459 1.00 0.00 H new ATOM 0 HA THR A 91 75.082 -8.651 -1.057 1.00 0.00 H new ATOM 0 HB THR A 91 76.936 -10.914 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 91 74.981 -11.814 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 91 76.986 -11.423 0.493 1.00 0.00 H new ATOM 0 HG22 THR A 91 77.600 -9.784 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 91 75.955 -10.008 0.813 1.00 0.00 H new ATOM 1448 N GLN A 92 77.779 -8.315 -2.905 1.00 0.00 N ATOM 1449 CA GLN A 92 78.997 -7.529 -3.064 1.00 0.00 C ATOM 1450 C GLN A 92 78.719 -6.259 -3.867 1.00 0.00 C ATOM 1451 O GLN A 92 78.094 -6.310 -4.925 1.00 0.00 O ATOM 1452 CB GLN A 92 80.063 -8.360 -3.780 1.00 0.00 C ATOM 1453 CG GLN A 92 81.372 -7.570 -3.841 1.00 0.00 C ATOM 1454 CD GLN A 92 82.449 -8.395 -4.538 1.00 0.00 C ATOM 1455 OE1 GLN A 92 82.239 -9.574 -4.825 1.00 0.00 O ATOM 1456 NE2 GLN A 92 83.595 -7.844 -4.831 1.00 0.00 N ATOM 0 H GLN A 92 77.559 -8.924 -3.693 1.00 0.00 H new ATOM 0 HA GLN A 92 79.355 -7.248 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 92 80.219 -9.302 -3.254 1.00 0.00 H new ATOM 0 HB3 GLN A 92 79.729 -8.609 -4.787 1.00 0.00 H new ATOM 0 HG2 GLN A 92 81.216 -6.634 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 92 81.697 -7.310 -2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 92 83.767 -6.867 -4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 92 84.319 -8.390 -5.299 1.00 0.00 H new