USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 GLN : amide:sc= -2.14! K(o=-1.9!,f=-0.72) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0.262 USER MOD Single : A 14 HIS : no HD1:sc= -0.0939 K(o=-0.094,f=-1.6) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.203 K(o=-0.2,f=-1.4!) USER MOD Single : A 27 MET CE :methyl -161:sc= -0.0145 (180deg=-0.208) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -89:sc= -0.992 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -116:sc= -0.055 (180deg=-0.915) USER MOD Single : A 55 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.837 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 70:sc= -0.354 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -2.92 X(o=-2.9,f=-2.6!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.914 -0.953 5.421 1.00 0.00 N ATOM 143 CA LEU A 13 6.903 0.100 5.436 1.00 0.00 C ATOM 144 C LEU A 13 5.939 -0.089 6.604 1.00 0.00 C ATOM 145 O LEU A 13 5.650 -1.214 7.008 1.00 0.00 O ATOM 146 CB LEU A 13 6.129 0.110 4.116 1.00 0.00 C ATOM 147 CG LEU A 13 6.745 0.969 3.011 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.090 0.665 1.672 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.610 2.446 3.349 1.00 0.00 C ATOM 0 HA LEU A 13 7.411 1.057 5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.045 -0.915 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.116 0.464 4.309 1.00 0.00 H new ATOM 0 HG LEU A 13 7.805 0.728 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.541 1.285 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.237 -0.387 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.023 0.878 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.053 3.044 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.555 2.701 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.125 2.653 4.287 1.00 0.00 H new ATOM 161 N HIS A 14 5.444 1.022 7.140 1.00 0.00 N ATOM 162 CA HIS A 14 4.512 0.980 8.261 1.00 0.00 C ATOM 163 C HIS A 14 3.357 1.952 8.043 1.00 0.00 C ATOM 164 O HIS A 14 3.455 2.876 7.236 1.00 0.00 O ATOM 165 CB HIS A 14 5.238 1.315 9.566 1.00 0.00 C ATOM 166 CG HIS A 14 4.660 0.636 10.770 1.00 0.00 C ATOM 167 ND1 HIS A 14 3.673 -0.324 10.715 1.00 0.00 N ATOM 168 CD2 HIS A 14 4.953 0.796 12.087 1.00 0.00 C ATOM 169 CE1 HIS A 14 3.404 -0.708 11.971 1.00 0.00 C ATOM 170 NE2 HIS A 14 4.154 -0.060 12.840 1.00 0.00 N ATOM 0 H HIS A 14 5.673 1.962 6.816 1.00 0.00 H new ATOM 0 HA HIS A 14 4.106 -0.029 8.328 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.287 1.034 9.470 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.210 2.394 9.720 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.689 1.479 12.486 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.668 -1.452 12.237 1.00 0.00 H new ATOM 0 HE2 HIS A 14 4.150 -0.164 13.855 1.00 0.00 H new ATOM 178 N GLU A 15 2.263 1.736 8.766 1.00 0.00 N ATOM 179 CA GLU A 15 1.089 2.593 8.652 1.00 0.00 C ATOM 180 C GLU A 15 1.431 4.036 9.010 1.00 0.00 C ATOM 181 O GLU A 15 2.145 4.293 9.980 1.00 0.00 O ATOM 182 CB GLU A 15 -0.032 2.082 9.558 1.00 0.00 C ATOM 183 CG GLU A 15 -0.709 0.824 9.039 1.00 0.00 C ATOM 184 CD GLU A 15 -1.808 0.331 9.959 1.00 0.00 C ATOM 185 OE1 GLU A 15 -2.961 0.783 9.801 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.516 -0.507 10.838 1.00 0.00 O ATOM 0 H GLU A 15 2.165 0.974 9.437 1.00 0.00 H new ATOM 0 HA GLU A 15 0.750 2.566 7.616 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.376 1.882 10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.780 2.866 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.128 1.022 8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.037 0.039 8.917 1.00 0.00 H new ATOM 193 N GLY A 16 0.916 4.974 8.223 1.00 0.00 N ATOM 194 CA GLY A 16 1.176 6.379 8.474 1.00 0.00 C ATOM 195 C GLY A 16 2.227 6.951 7.544 1.00 0.00 C ATOM 196 O GLY A 16 2.218 8.145 7.244 1.00 0.00 O ATOM 0 H GLY A 16 0.323 4.786 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.250 6.942 8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.502 6.506 9.506 1.00 0.00 H new ATOM 200 N SER A 17 3.137 6.097 7.084 1.00 0.00 N ATOM 201 CA SER A 17 4.200 6.524 6.183 1.00 0.00 C ATOM 202 C SER A 17 3.629 6.971 4.840 1.00 0.00 C ATOM 203 O SER A 17 2.435 6.824 4.583 1.00 0.00 O ATOM 204 CB SER A 17 5.203 5.389 5.971 1.00 0.00 C ATOM 205 OG SER A 17 6.145 5.335 7.027 1.00 0.00 O ATOM 0 H SER A 17 3.159 5.105 7.321 1.00 0.00 H new ATOM 0 HA SER A 17 4.711 7.371 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.673 4.439 5.904 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.723 5.531 5.023 1.00 0.00 H new ATOM 0 HG SER A 17 6.773 4.600 6.868 1.00 0.00 H new ATOM 211 N GLN A 18 4.491 7.517 3.989 1.00 0.00 N ATOM 212 CA GLN A 18 4.075 7.986 2.671 1.00 0.00 C ATOM 213 C GLN A 18 4.768 7.193 1.569 1.00 0.00 C ATOM 214 O GLN A 18 5.748 6.492 1.818 1.00 0.00 O ATOM 215 CB GLN A 18 4.381 9.476 2.517 1.00 0.00 C ATOM 216 CG GLN A 18 3.861 10.327 3.663 1.00 0.00 C ATOM 217 CD GLN A 18 2.383 10.638 3.534 1.00 0.00 C ATOM 218 OE1 GLN A 18 2.000 11.741 3.146 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.542 9.663 3.861 1.00 0.00 N ATOM 0 H GLN A 18 5.483 7.646 4.188 1.00 0.00 H new ATOM 0 HA GLN A 18 3.000 7.834 2.580 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.460 9.610 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.945 9.833 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.039 9.809 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.423 11.260 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.903 8.763 4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.535 9.814 3.795 1.00 0.00 H new ATOM 228 N VAL A 19 4.253 7.309 0.350 1.00 0.00 N ATOM 229 CA VAL A 19 4.824 6.602 -0.790 1.00 0.00 C ATOM 230 C VAL A 19 4.452 7.281 -2.104 1.00 0.00 C ATOM 231 O VAL A 19 3.696 8.253 -2.120 1.00 0.00 O ATOM 232 CB VAL A 19 4.355 5.137 -0.834 1.00 0.00 C ATOM 233 CG1 VAL A 19 4.989 4.338 0.294 1.00 0.00 C ATOM 234 CG2 VAL A 19 2.838 5.059 -0.767 1.00 0.00 C ATOM 0 H VAL A 19 3.442 7.885 0.126 1.00 0.00 H new ATOM 0 HA VAL A 19 5.907 6.627 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 19 4.676 4.701 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.645 3.305 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.074 4.364 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.703 4.771 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.526 4.015 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.491 5.513 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.408 5.593 -1.615 1.00 0.00 H new ATOM 244 N LEU A 20 4.988 6.761 -3.204 1.00 0.00 N ATOM 245 CA LEU A 20 4.713 7.315 -4.524 1.00 0.00 C ATOM 246 C LEU A 20 4.616 6.208 -5.570 1.00 0.00 C ATOM 247 O LEU A 20 5.441 5.295 -5.598 1.00 0.00 O ATOM 248 CB LEU A 20 5.806 8.311 -4.918 1.00 0.00 C ATOM 249 CG LEU A 20 5.617 8.972 -6.284 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.563 10.066 -6.207 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.937 9.535 -6.789 1.00 0.00 C ATOM 0 H LEU A 20 5.615 5.957 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 20 3.755 7.834 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.857 9.091 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.766 7.795 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 20 5.273 8.215 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.442 10.525 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.614 9.635 -5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.877 10.823 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.785 10.002 -7.762 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.309 10.278 -6.084 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.664 8.729 -6.883 1.00 0.00 H new ATOM 263 N LEU A 21 3.604 6.297 -6.427 1.00 0.00 N ATOM 264 CA LEU A 21 3.400 5.302 -7.474 1.00 0.00 C ATOM 265 C LEU A 21 4.301 5.581 -8.672 1.00 0.00 C ATOM 266 O LEU A 21 4.574 6.736 -9.001 1.00 0.00 O ATOM 267 CB LEU A 21 1.936 5.288 -7.914 1.00 0.00 C ATOM 268 CG LEU A 21 0.916 5.334 -6.774 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.476 5.628 -7.313 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.925 4.025 -6.001 1.00 0.00 C ATOM 0 H LEU A 21 2.913 7.047 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 21 3.659 4.324 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.762 6.140 -8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.758 4.389 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 21 1.195 6.138 -6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.187 5.657 -6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.473 6.591 -7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.767 4.847 -8.015 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.194 4.074 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.670 3.205 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.917 3.856 -5.582 1.00 0.00 H new ATOM 282 N THR A 22 4.760 4.516 -9.322 1.00 0.00 N ATOM 283 CA THR A 22 5.631 4.648 -10.485 1.00 0.00 C ATOM 284 C THR A 22 4.843 4.463 -11.779 1.00 0.00 C ATOM 285 O THR A 22 5.378 3.988 -12.780 1.00 0.00 O ATOM 286 CB THR A 22 6.767 3.626 -10.414 1.00 0.00 C ATOM 287 OG1 THR A 22 6.347 2.456 -9.734 1.00 0.00 O ATOM 288 CG2 THR A 22 8.000 4.148 -9.711 1.00 0.00 C ATOM 0 H THR A 22 4.544 3.553 -9.064 1.00 0.00 H new ATOM 0 HA THR A 22 6.054 5.652 -10.480 1.00 0.00 H new ATOM 0 HB THR A 22 7.025 3.410 -11.451 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.087 1.814 -9.700 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.766 3.373 -9.696 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.378 5.022 -10.241 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.745 4.426 -8.688 1.00 0.00 H new ATOM 296 N SER A 23 3.570 4.842 -11.749 1.00 0.00 N ATOM 297 CA SER A 23 2.708 4.719 -12.919 1.00 0.00 C ATOM 298 C SER A 23 1.899 5.993 -13.133 1.00 0.00 C ATOM 299 O SER A 23 1.822 6.513 -14.247 1.00 0.00 O ATOM 300 CB SER A 23 1.766 3.524 -12.761 1.00 0.00 C ATOM 301 OG SER A 23 1.357 3.027 -14.023 1.00 0.00 O ATOM 0 H SER A 23 3.112 5.237 -10.927 1.00 0.00 H new ATOM 0 HA SER A 23 3.342 4.560 -13.792 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.266 2.734 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.891 3.821 -12.182 1.00 0.00 H new ATOM 0 HG SER A 23 0.757 2.263 -13.895 1.00 0.00 H new ATOM 307 N SER A 24 1.298 6.493 -12.058 1.00 0.00 N ATOM 308 CA SER A 24 0.495 7.708 -12.126 1.00 0.00 C ATOM 309 C SER A 24 1.292 8.923 -11.653 1.00 0.00 C ATOM 310 O SER A 24 0.940 10.063 -11.955 1.00 0.00 O ATOM 311 CB SER A 24 -0.771 7.555 -11.281 1.00 0.00 C ATOM 312 OG SER A 24 -1.849 7.068 -12.060 1.00 0.00 O ATOM 0 H SER A 24 1.352 6.075 -11.129 1.00 0.00 H new ATOM 0 HA SER A 24 0.214 7.866 -13.167 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.579 6.872 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.039 8.517 -10.845 1.00 0.00 H new ATOM 0 HG SER A 24 -2.645 6.978 -11.496 1.00 0.00 H new ATOM 318 N ASN A 25 2.367 8.672 -10.907 1.00 0.00 N ATOM 319 CA ASN A 25 3.209 9.747 -10.393 1.00 0.00 C ATOM 320 C ASN A 25 2.458 10.579 -9.358 1.00 0.00 C ATOM 321 O ASN A 25 2.592 11.802 -9.312 1.00 0.00 O ATOM 322 CB ASN A 25 3.692 10.644 -11.537 1.00 0.00 C ATOM 323 CG ASN A 25 5.168 10.970 -11.432 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.963 10.162 -10.952 1.00 0.00 O ATOM 325 ND2 ASN A 25 5.544 12.162 -11.882 1.00 0.00 N ATOM 0 H ASN A 25 2.674 7.735 -10.646 1.00 0.00 H new ATOM 0 HA ASN A 25 4.075 9.294 -9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.499 10.150 -12.489 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.117 11.570 -11.536 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.525 12.438 -11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.852 12.801 -12.272 1.00 0.00 H new ATOM 332 N GLU A 26 1.669 9.905 -8.527 1.00 0.00 N ATOM 333 CA GLU A 26 0.896 10.580 -7.490 1.00 0.00 C ATOM 334 C GLU A 26 1.201 9.991 -6.116 1.00 0.00 C ATOM 335 O GLU A 26 1.236 8.773 -5.945 1.00 0.00 O ATOM 336 CB GLU A 26 -0.602 10.466 -7.785 1.00 0.00 C ATOM 337 CG GLU A 26 -1.099 11.481 -8.802 1.00 0.00 C ATOM 338 CD GLU A 26 -1.697 12.712 -8.151 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.216 12.593 -7.020 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.647 13.794 -8.771 1.00 0.00 O ATOM 0 H GLU A 26 1.548 8.892 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 26 1.180 11.632 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.817 9.462 -8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.158 10.592 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.272 11.780 -9.446 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.847 11.013 -9.442 1.00 0.00 H new ATOM 347 N MET A 27 1.421 10.866 -5.140 1.00 0.00 N ATOM 348 CA MET A 27 1.725 10.432 -3.781 1.00 0.00 C ATOM 349 C MET A 27 0.531 9.716 -3.157 1.00 0.00 C ATOM 350 O MET A 27 -0.617 9.970 -3.520 1.00 0.00 O ATOM 351 CB MET A 27 2.121 11.632 -2.918 1.00 0.00 C ATOM 352 CG MET A 27 3.403 12.311 -3.374 1.00 0.00 C ATOM 353 SD MET A 27 4.826 11.865 -2.359 1.00 0.00 S ATOM 354 CE MET A 27 4.443 12.731 -0.838 1.00 0.00 C ATOM 0 H MET A 27 1.395 11.878 -5.264 1.00 0.00 H new ATOM 0 HA MET A 27 2.560 9.733 -3.828 1.00 0.00 H new ATOM 0 HB2 MET A 27 1.310 12.360 -2.929 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.241 11.303 -1.886 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.603 12.042 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.267 13.392 -3.346 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.350 12.841 -0.244 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.041 13.717 -1.072 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.705 12.163 -0.272 1.00 0.00 H new ATOM 364 N ALA A 28 0.811 8.819 -2.217 1.00 0.00 N ATOM 365 CA ALA A 28 -0.239 8.065 -1.542 1.00 0.00 C ATOM 366 C ALA A 28 0.171 7.710 -0.117 1.00 0.00 C ATOM 367 O ALA A 28 1.346 7.468 0.159 1.00 0.00 O ATOM 368 CB ALA A 28 -0.571 6.806 -2.327 1.00 0.00 C ATOM 0 H ALA A 28 1.756 8.597 -1.905 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.129 8.693 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.356 6.253 -1.812 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.914 7.079 -3.325 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.319 6.182 -2.408 1.00 0.00 H new ATOM 374 N THR A 29 -0.804 7.681 0.784 1.00 0.00 N ATOM 375 CA THR A 29 -0.545 7.356 2.181 1.00 0.00 C ATOM 376 C THR A 29 -0.807 5.882 2.457 1.00 0.00 C ATOM 377 O THR A 29 -1.757 5.301 1.934 1.00 0.00 O ATOM 378 CB THR A 29 -1.410 8.222 3.099 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.286 9.592 2.760 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.057 8.078 4.564 1.00 0.00 C ATOM 0 H THR A 29 -1.782 7.879 0.572 1.00 0.00 H new ATOM 0 HA THR A 29 0.506 7.562 2.384 1.00 0.00 H new ATOM 0 HB THR A 29 -2.431 7.870 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.848 10.129 3.357 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.707 8.718 5.160 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.190 7.040 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.019 8.371 4.719 1.00 0.00 H new ATOM 388 N VAL A 30 0.046 5.283 3.280 1.00 0.00 N ATOM 389 CA VAL A 30 -0.091 3.876 3.624 1.00 0.00 C ATOM 390 C VAL A 30 -1.015 3.690 4.824 1.00 0.00 C ATOM 391 O VAL A 30 -0.727 4.168 5.921 1.00 0.00 O ATOM 392 CB VAL A 30 1.275 3.237 3.938 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.136 1.731 4.100 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.284 3.573 2.852 1.00 0.00 C ATOM 0 H VAL A 30 0.838 5.751 3.720 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.524 3.380 2.755 1.00 0.00 H new ATOM 0 HB VAL A 30 1.640 3.648 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.111 1.297 4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.449 1.515 4.918 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.748 1.300 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.243 3.113 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.928 3.193 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.406 4.654 2.790 1.00 0.00 H new ATOM 404 N ARG A 31 -2.127 2.996 4.607 1.00 0.00 N ATOM 405 CA ARG A 31 -3.093 2.749 5.671 1.00 0.00 C ATOM 406 C ARG A 31 -3.005 1.308 6.165 1.00 0.00 C ATOM 407 O ARG A 31 -3.259 1.028 7.337 1.00 0.00 O ATOM 408 CB ARG A 31 -4.511 3.044 5.179 1.00 0.00 C ATOM 409 CG ARG A 31 -4.831 4.528 5.099 1.00 0.00 C ATOM 410 CD ARG A 31 -4.904 5.157 6.481 1.00 0.00 C ATOM 411 NE ARG A 31 -5.784 4.410 7.377 1.00 0.00 N ATOM 412 CZ ARG A 31 -5.778 4.542 8.701 1.00 0.00 C ATOM 413 NH1 ARG A 31 -4.942 5.391 9.288 1.00 0.00 N ATOM 414 NH2 ARG A 31 -6.611 3.824 9.443 1.00 0.00 N ATOM 0 H ARG A 31 -2.382 2.595 3.704 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.857 3.414 6.502 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.645 2.598 4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.226 2.562 5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.068 5.034 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.781 4.669 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.904 5.204 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.262 6.183 6.394 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.441 3.749 6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.299 5.947 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.943 5.487 10.303 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.256 3.171 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.606 3.925 10.458 1.00 0.00 H new ATOM 428 N TYR A 32 -2.642 0.400 5.266 1.00 0.00 N ATOM 429 CA TYR A 32 -2.521 -1.012 5.613 1.00 0.00 C ATOM 430 C TYR A 32 -1.302 -1.635 4.941 1.00 0.00 C ATOM 431 O TYR A 32 -0.850 -1.168 3.895 1.00 0.00 O ATOM 432 CB TYR A 32 -3.787 -1.768 5.207 1.00 0.00 C ATOM 433 CG TYR A 32 -4.245 -2.780 6.234 1.00 0.00 C ATOM 434 CD1 TYR A 32 -4.467 -2.406 7.553 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.456 -4.107 5.884 1.00 0.00 C ATOM 436 CE1 TYR A 32 -4.887 -3.327 8.494 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.875 -5.034 6.819 1.00 0.00 C ATOM 438 CZ TYR A 32 -5.089 -4.639 8.122 1.00 0.00 C ATOM 439 OH TYR A 32 -5.507 -5.558 9.057 1.00 0.00 O ATOM 0 H TYR A 32 -2.427 0.616 4.293 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.394 -1.086 6.693 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.589 -1.050 5.034 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.607 -2.279 4.261 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.309 -1.379 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.290 -4.420 4.864 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -5.056 -3.020 9.516 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.034 -6.063 6.530 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.603 -6.436 8.633 1.00 0.00 H new ATOM 449 N VAL A 33 -0.775 -2.694 5.548 1.00 0.00 N ATOM 450 CA VAL A 33 0.391 -3.382 5.008 1.00 0.00 C ATOM 451 C VAL A 33 0.352 -4.870 5.340 1.00 0.00 C ATOM 452 O VAL A 33 0.685 -5.277 6.453 1.00 0.00 O ATOM 453 CB VAL A 33 1.702 -2.781 5.553 1.00 0.00 C ATOM 454 CG1 VAL A 33 2.902 -3.385 4.841 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.692 -1.266 5.411 1.00 0.00 C ATOM 0 H VAL A 33 -1.137 -3.094 6.414 1.00 0.00 H new ATOM 0 HA VAL A 33 0.363 -3.251 3.926 1.00 0.00 H new ATOM 0 HB VAL A 33 1.780 -3.023 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.818 -2.949 5.239 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.915 -4.463 5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.835 -3.176 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.625 -0.858 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.591 -1.000 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.853 -0.854 5.972 1.00 0.00 H new ATOM 465 N GLY A 34 -0.057 -5.677 4.367 1.00 0.00 N ATOM 466 CA GLY A 34 -0.132 -7.111 4.575 1.00 0.00 C ATOM 467 C GLY A 34 -0.530 -7.861 3.316 1.00 0.00 C ATOM 468 O GLY A 34 -0.854 -7.243 2.302 1.00 0.00 O ATOM 0 H GLY A 34 -0.338 -5.364 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.835 -7.476 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.854 -7.323 5.364 1.00 0.00 H new ATOM 472 N PRO A 35 -0.516 -9.204 3.353 1.00 0.00 N ATOM 473 CA PRO A 35 -0.881 -10.029 2.196 1.00 0.00 C ATOM 474 C PRO A 35 -2.372 -9.959 1.884 1.00 0.00 C ATOM 475 O PRO A 35 -3.204 -9.900 2.788 1.00 0.00 O ATOM 476 CB PRO A 35 -0.492 -11.443 2.630 1.00 0.00 C ATOM 477 CG PRO A 35 -0.552 -11.412 4.118 1.00 0.00 C ATOM 478 CD PRO A 35 -0.141 -10.023 4.520 1.00 0.00 C ATOM 0 HA PRO A 35 -0.383 -9.697 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.178 -12.185 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.506 -11.704 2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.557 -11.640 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.115 -12.157 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.658 -9.697 5.423 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.928 -9.964 4.725 1.00 0.00 H new ATOM 486 N THR A 36 -2.702 -9.965 0.596 1.00 0.00 N ATOM 487 CA THR A 36 -4.094 -9.903 0.163 1.00 0.00 C ATOM 488 C THR A 36 -4.654 -11.303 -0.067 1.00 0.00 C ATOM 489 O THR A 36 -3.962 -12.301 0.137 1.00 0.00 O ATOM 490 CB THR A 36 -4.215 -9.077 -1.117 1.00 0.00 C ATOM 491 OG1 THR A 36 -3.442 -9.648 -2.158 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.766 -7.641 -0.948 1.00 0.00 C ATOM 0 H THR A 36 -2.025 -10.012 -0.166 1.00 0.00 H new ATOM 0 HA THR A 36 -4.673 -9.424 0.952 1.00 0.00 H new ATOM 0 HB THR A 36 -5.277 -9.083 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.534 -9.282 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.878 -7.111 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.376 -7.156 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.720 -7.620 -0.642 1.00 0.00 H new ATOM 500 N ASP A 37 -5.912 -11.368 -0.493 1.00 0.00 N ATOM 501 CA ASP A 37 -6.566 -12.646 -0.751 1.00 0.00 C ATOM 502 C ASP A 37 -6.745 -12.872 -2.248 1.00 0.00 C ATOM 503 O ASP A 37 -6.688 -14.005 -2.727 1.00 0.00 O ATOM 504 CB ASP A 37 -7.924 -12.699 -0.049 1.00 0.00 C ATOM 505 CG ASP A 37 -8.423 -14.118 0.137 1.00 0.00 C ATOM 506 OD1 ASP A 37 -8.000 -14.772 1.114 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.238 -14.574 -0.692 1.00 0.00 O ATOM 0 H ASP A 37 -6.498 -10.551 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.930 -13.438 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.846 -12.214 0.924 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.653 -12.134 -0.630 1.00 0.00 H new ATOM 512 N PHE A 38 -6.960 -11.786 -2.984 1.00 0.00 N ATOM 513 CA PHE A 38 -7.147 -11.866 -4.428 1.00 0.00 C ATOM 514 C PHE A 38 -5.807 -12.014 -5.142 1.00 0.00 C ATOM 515 O PHE A 38 -5.680 -12.791 -6.089 1.00 0.00 O ATOM 516 CB PHE A 38 -7.875 -10.622 -4.938 1.00 0.00 C ATOM 517 CG PHE A 38 -7.109 -9.348 -4.721 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.183 -8.913 -5.656 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.316 -8.585 -3.583 1.00 0.00 C ATOM 520 CE1 PHE A 38 -5.477 -7.741 -5.459 1.00 0.00 C ATOM 521 CE2 PHE A 38 -6.613 -7.413 -3.380 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.692 -6.990 -4.320 1.00 0.00 C ATOM 0 H PHE A 38 -7.009 -10.841 -2.604 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.752 -12.746 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.075 -10.739 -6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.841 -10.546 -4.438 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.011 -9.496 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.035 -8.910 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.758 -7.413 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.783 -6.828 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.142 -6.074 -4.164 1.00 0.00 H new ATOM 532 N ALA A 39 -4.811 -11.265 -4.681 1.00 0.00 N ATOM 533 CA ALA A 39 -3.480 -11.315 -5.276 1.00 0.00 C ATOM 534 C ALA A 39 -2.577 -12.283 -4.520 1.00 0.00 C ATOM 535 O ALA A 39 -3.017 -12.967 -3.598 1.00 0.00 O ATOM 536 CB ALA A 39 -2.864 -9.924 -5.302 1.00 0.00 C ATOM 0 H ALA A 39 -4.900 -10.617 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.578 -11.677 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.871 -9.974 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.494 -9.258 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.786 -9.542 -4.284 1.00 0.00 H new ATOM 542 N SER A 40 -1.309 -12.334 -4.918 1.00 0.00 N ATOM 543 CA SER A 40 -0.342 -13.219 -4.279 1.00 0.00 C ATOM 544 C SER A 40 0.943 -12.469 -3.943 1.00 0.00 C ATOM 545 O SER A 40 1.751 -12.179 -4.824 1.00 0.00 O ATOM 546 CB SER A 40 -0.030 -14.409 -5.187 1.00 0.00 C ATOM 547 OG SER A 40 -1.214 -14.951 -5.744 1.00 0.00 O ATOM 0 H SER A 40 -0.928 -11.773 -5.680 1.00 0.00 H new ATOM 0 HA SER A 40 -0.780 -13.585 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.640 -14.094 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.492 -15.178 -4.617 1.00 0.00 H new ATOM 0 HG SER A 40 -0.986 -15.709 -6.322 1.00 0.00 H new ATOM 553 N GLY A 41 1.124 -12.159 -2.663 1.00 0.00 N ATOM 554 CA GLY A 41 2.312 -11.445 -2.235 1.00 0.00 C ATOM 555 C GLY A 41 2.021 -10.438 -1.141 1.00 0.00 C ATOM 556 O GLY A 41 1.274 -10.727 -0.205 1.00 0.00 O ATOM 0 H GLY A 41 0.469 -12.390 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.053 -12.160 -1.878 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.751 -10.931 -3.090 1.00 0.00 H new ATOM 560 N ILE A 42 2.611 -9.253 -1.256 1.00 0.00 N ATOM 561 CA ILE A 42 2.411 -8.200 -0.268 1.00 0.00 C ATOM 562 C ILE A 42 1.965 -6.903 -0.934 1.00 0.00 C ATOM 563 O ILE A 42 2.534 -6.482 -1.942 1.00 0.00 O ATOM 564 CB ILE A 42 3.698 -7.933 0.538 1.00 0.00 C ATOM 565 CG1 ILE A 42 4.267 -9.244 1.083 1.00 0.00 C ATOM 566 CG2 ILE A 42 3.419 -6.959 1.673 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.755 -9.189 1.358 1.00 0.00 C ATOM 0 H ILE A 42 3.232 -8.998 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 42 1.632 -8.546 0.411 1.00 0.00 H new ATOM 0 HB ILE A 42 4.438 -7.486 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.745 -9.502 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.067 -10.042 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.337 -6.780 2.233 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.055 -6.017 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.665 -7.381 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.090 -10.153 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.288 -8.962 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.960 -8.413 2.096 1.00 0.00 H new ATOM 579 N TRP A 43 0.942 -6.273 -0.364 1.00 0.00 N ATOM 580 CA TRP A 43 0.419 -5.023 -0.903 1.00 0.00 C ATOM 581 C TRP A 43 0.197 -4.001 0.209 1.00 0.00 C ATOM 582 O TRP A 43 0.083 -4.360 1.380 1.00 0.00 O ATOM 583 CB TRP A 43 -0.892 -5.274 -1.649 1.00 0.00 C ATOM 584 CG TRP A 43 -0.759 -6.262 -2.768 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.503 -7.597 -2.657 1.00 0.00 C ATOM 586 CD2 TRP A 43 -0.874 -5.990 -4.171 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.452 -8.174 -3.903 1.00 0.00 N ATOM 588 CE2 TRP A 43 -0.677 -7.208 -4.848 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.124 -4.835 -4.917 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -0.723 -7.302 -6.237 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.169 -4.931 -6.296 1.00 0.00 C ATOM 592 CH2 TRP A 43 -0.971 -6.157 -6.943 1.00 0.00 C ATOM 0 H TRP A 43 0.460 -6.608 0.470 1.00 0.00 H new ATOM 0 HA TRP A 43 1.155 -4.621 -1.600 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.640 -5.634 -0.943 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.260 -4.330 -2.050 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.361 -8.124 -1.725 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.275 -9.160 -4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.279 -3.886 -4.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.568 -8.246 -6.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.360 -4.045 -6.884 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.015 -6.199 -8.021 1.00 0.00 H new ATOM 603 N LEU A 44 0.138 -2.728 -0.168 1.00 0.00 N ATOM 604 CA LEU A 44 -0.069 -1.654 0.796 1.00 0.00 C ATOM 605 C LEU A 44 -1.384 -0.929 0.527 1.00 0.00 C ATOM 606 O LEU A 44 -1.514 -0.203 -0.458 1.00 0.00 O ATOM 607 CB LEU A 44 1.094 -0.662 0.743 1.00 0.00 C ATOM 608 CG LEU A 44 2.486 -1.296 0.731 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.437 -0.481 -0.132 1.00 0.00 C ATOM 610 CD2 LEU A 44 3.025 -1.424 2.147 1.00 0.00 C ATOM 0 H LEU A 44 0.231 -2.415 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.115 -2.096 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.985 -0.045 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.022 0.005 1.602 1.00 0.00 H new ATOM 0 HG LEU A 44 2.406 -2.295 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.422 -0.948 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.058 -0.441 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.513 0.531 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.016 -1.877 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.090 -0.436 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.356 -2.051 2.736 1.00 0.00 H new ATOM 622 N GLY A 45 -2.357 -1.130 1.410 1.00 0.00 N ATOM 623 CA GLY A 45 -3.648 -0.489 1.251 1.00 0.00 C ATOM 624 C GLY A 45 -3.560 1.022 1.334 1.00 0.00 C ATOM 625 O GLY A 45 -3.749 1.602 2.403 1.00 0.00 O ATOM 0 H GLY A 45 -2.274 -1.726 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.075 -0.773 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.328 -0.853 2.021 1.00 0.00 H new ATOM 629 N LEU A 46 -3.269 1.660 0.205 1.00 0.00 N ATOM 630 CA LEU A 46 -3.156 3.113 0.156 1.00 0.00 C ATOM 631 C LEU A 46 -4.528 3.769 0.267 1.00 0.00 C ATOM 632 O LEU A 46 -5.557 3.107 0.137 1.00 0.00 O ATOM 633 CB LEU A 46 -2.474 3.548 -1.143 1.00 0.00 C ATOM 634 CG LEU A 46 -1.046 3.033 -1.327 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.509 3.425 -2.695 1.00 0.00 C ATOM 636 CD2 LEU A 46 -0.142 3.565 -0.225 1.00 0.00 C ATOM 0 H LEU A 46 -3.107 1.194 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.550 3.435 1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.078 3.208 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.459 4.637 -1.181 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.061 1.945 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.508 3.050 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.142 2.995 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.508 4.511 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.870 3.189 -0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.132 4.654 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.516 3.234 0.744 1.00 0.00 H new ATOM 648 N GLU A 47 -4.536 5.076 0.510 1.00 0.00 N ATOM 649 CA GLU A 47 -5.781 5.822 0.639 1.00 0.00 C ATOM 650 C GLU A 47 -5.613 7.254 0.139 1.00 0.00 C ATOM 651 O GLU A 47 -4.903 8.054 0.746 1.00 0.00 O ATOM 652 CB GLU A 47 -6.248 5.826 2.097 1.00 0.00 C ATOM 653 CG GLU A 47 -7.679 5.346 2.280 1.00 0.00 C ATOM 654 CD GLU A 47 -8.165 5.494 3.708 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.619 6.602 4.068 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.093 4.504 4.466 1.00 0.00 O ATOM 0 H GLU A 47 -3.693 5.640 0.621 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.536 5.331 0.025 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.583 5.192 2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.159 6.837 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.335 5.910 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.748 4.299 1.983 1.00 0.00 H new ATOM 663 N LEU A 48 -6.271 7.568 -0.972 1.00 0.00 N ATOM 664 CA LEU A 48 -6.195 8.903 -1.554 1.00 0.00 C ATOM 665 C LEU A 48 -7.347 9.775 -1.067 1.00 0.00 C ATOM 666 O LEU A 48 -8.396 9.269 -0.666 1.00 0.00 O ATOM 667 CB LEU A 48 -6.213 8.819 -3.081 1.00 0.00 C ATOM 668 CG LEU A 48 -5.311 7.740 -3.681 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.882 7.238 -4.999 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.901 8.275 -3.877 1.00 0.00 C ATOM 0 H LEU A 48 -6.863 6.916 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.258 9.359 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.237 8.638 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.916 9.786 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.267 6.901 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.226 6.471 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.873 6.816 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.957 8.067 -5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.272 7.494 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.927 9.131 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.492 8.584 -2.915 1.00 0.00 H new ATOM 682 N ARG A 49 -7.146 11.088 -1.105 1.00 0.00 N ATOM 683 CA ARG A 49 -8.169 12.031 -0.667 1.00 0.00 C ATOM 684 C ARG A 49 -8.927 12.605 -1.860 1.00 0.00 C ATOM 685 O ARG A 49 -9.365 13.755 -1.836 1.00 0.00 O ATOM 686 CB ARG A 49 -7.534 13.163 0.146 1.00 0.00 C ATOM 687 CG ARG A 49 -8.057 13.256 1.570 1.00 0.00 C ATOM 688 CD ARG A 49 -7.819 11.965 2.336 1.00 0.00 C ATOM 689 NE ARG A 49 -8.922 11.655 3.243 1.00 0.00 N ATOM 690 CZ ARG A 49 -9.088 12.230 4.432 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.227 13.144 4.861 1.00 0.00 N ATOM 692 NH2 ARG A 49 -10.119 11.890 5.194 1.00 0.00 N ATOM 0 H ARG A 49 -6.284 11.523 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.877 11.494 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.454 13.018 0.173 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.716 14.110 -0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.567 14.082 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.124 13.479 1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.688 11.144 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.893 12.047 2.906 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.605 10.957 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.433 13.409 4.279 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.359 13.581 5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.784 11.188 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.247 12.330 6.105 1.00 0.00 H new ATOM 706 N SER A 50 -9.079 11.795 -2.903 1.00 0.00 N ATOM 707 CA SER A 50 -9.785 12.222 -4.106 1.00 0.00 C ATOM 708 C SER A 50 -10.230 11.020 -4.931 1.00 0.00 C ATOM 709 O SER A 50 -9.596 9.964 -4.903 1.00 0.00 O ATOM 710 CB SER A 50 -8.891 13.132 -4.951 1.00 0.00 C ATOM 711 OG SER A 50 -9.533 13.497 -6.159 1.00 0.00 O ATOM 0 H SER A 50 -8.723 10.840 -2.939 1.00 0.00 H new ATOM 0 HA SER A 50 -10.671 12.777 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.639 14.028 -4.384 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.954 12.622 -5.173 1.00 0.00 H new ATOM 0 HG SER A 50 -8.942 14.080 -6.680 1.00 0.00 H new ATOM 717 N ALA A 51 -11.324 11.185 -5.667 1.00 0.00 N ATOM 718 CA ALA A 51 -11.855 10.114 -6.501 1.00 0.00 C ATOM 719 C ALA A 51 -10.918 9.812 -7.667 1.00 0.00 C ATOM 720 O ALA A 51 -11.183 10.197 -8.805 1.00 0.00 O ATOM 721 CB ALA A 51 -13.238 10.481 -7.016 1.00 0.00 C ATOM 0 H ALA A 51 -11.861 12.052 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.935 9.216 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.622 9.672 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.910 10.641 -6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.175 11.394 -7.608 1.00 0.00 H new ATOM 727 N LYS A 52 -9.821 9.121 -7.373 1.00 0.00 N ATOM 728 CA LYS A 52 -8.844 8.766 -8.396 1.00 0.00 C ATOM 729 C LYS A 52 -8.390 7.319 -8.237 1.00 0.00 C ATOM 730 O LYS A 52 -7.234 6.989 -8.501 1.00 0.00 O ATOM 731 CB LYS A 52 -7.637 9.703 -8.323 1.00 0.00 C ATOM 732 CG LYS A 52 -7.859 11.039 -9.012 1.00 0.00 C ATOM 733 CD LYS A 52 -6.707 11.996 -8.757 1.00 0.00 C ATOM 734 CE LYS A 52 -6.679 13.119 -9.782 1.00 0.00 C ATOM 735 NZ LYS A 52 -5.586 14.093 -9.509 1.00 0.00 N ATOM 0 H LYS A 52 -9.587 8.796 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.320 8.872 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.389 9.881 -7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.777 9.209 -8.775 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.972 10.882 -10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.788 11.483 -8.655 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.798 12.418 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.765 11.449 -8.789 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.549 12.698 -10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.637 13.638 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.601 14.843 -10.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.724 14.514 -8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.669 13.603 -9.538 1.00 0.00 H new ATOM 749 N GLY A 53 -9.306 6.460 -7.803 1.00 0.00 N ATOM 750 CA GLY A 53 -8.979 5.059 -7.617 1.00 0.00 C ATOM 751 C GLY A 53 -10.059 4.135 -8.146 1.00 0.00 C ATOM 752 O GLY A 53 -10.745 4.463 -9.115 1.00 0.00 O ATOM 0 H GLY A 53 -10.269 6.709 -7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.038 4.839 -8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.825 4.863 -6.556 1.00 0.00 H new ATOM 756 N LYS A 54 -10.210 2.978 -7.511 1.00 0.00 N ATOM 757 CA LYS A 54 -11.212 2.004 -7.923 1.00 0.00 C ATOM 758 C LYS A 54 -11.776 1.259 -6.717 1.00 0.00 C ATOM 759 O LYS A 54 -12.990 1.113 -6.577 1.00 0.00 O ATOM 760 CB LYS A 54 -10.609 1.009 -8.917 1.00 0.00 C ATOM 761 CG LYS A 54 -10.734 1.447 -10.366 1.00 0.00 C ATOM 762 CD LYS A 54 -10.676 0.260 -11.314 1.00 0.00 C ATOM 763 CE LYS A 54 -9.254 -0.252 -11.479 1.00 0.00 C ATOM 764 NZ LYS A 54 -8.879 -1.208 -10.400 1.00 0.00 N ATOM 0 H LYS A 54 -9.650 2.692 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.027 2.542 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.555 0.864 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.099 0.043 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.674 1.980 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.933 2.146 -10.606 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.311 -0.541 -10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.075 0.550 -12.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.154 -0.741 -12.448 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.562 0.590 -11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.104 -0.807 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.702 -1.380 -9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.569 -2.106 -10.824 1.00 0.00 H new ATOM 778 N ASN A 55 -10.885 0.791 -5.849 1.00 0.00 N ATOM 779 CA ASN A 55 -11.293 0.061 -4.654 1.00 0.00 C ATOM 780 C ASN A 55 -12.180 0.928 -3.765 1.00 0.00 C ATOM 781 O ASN A 55 -12.080 2.154 -3.778 1.00 0.00 O ATOM 782 CB ASN A 55 -10.065 -0.403 -3.869 1.00 0.00 C ATOM 783 CG ASN A 55 -9.072 -1.151 -4.737 1.00 0.00 C ATOM 784 OD1 ASN A 55 -9.138 -2.374 -4.864 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.145 -0.418 -5.343 1.00 0.00 N ATOM 0 H ASN A 55 -9.876 0.904 -5.951 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.865 -0.812 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.574 0.462 -3.423 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.383 -1.047 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.451 -0.866 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.127 0.593 -5.210 1.00 0.00 H new ATOM 792 N ASP A 56 -13.049 0.282 -2.994 1.00 0.00 N ATOM 793 CA ASP A 56 -13.954 0.993 -2.099 1.00 0.00 C ATOM 794 C ASP A 56 -13.585 0.743 -0.641 1.00 0.00 C ATOM 795 O ASP A 56 -14.453 0.698 0.231 1.00 0.00 O ATOM 796 CB ASP A 56 -15.399 0.561 -2.352 1.00 0.00 C ATOM 797 CG ASP A 56 -16.405 1.583 -1.857 1.00 0.00 C ATOM 798 OD1 ASP A 56 -16.053 2.370 -0.953 1.00 0.00 O ATOM 799 OD2 ASP A 56 -17.542 1.595 -2.371 1.00 0.00 O ATOM 0 H ASP A 56 -13.145 -0.733 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.860 2.060 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.545 0.400 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.582 -0.393 -1.858 1.00 0.00 H new ATOM 804 N GLY A 57 -12.291 0.580 -0.382 1.00 0.00 N ATOM 805 CA GLY A 57 -11.830 0.337 0.973 1.00 0.00 C ATOM 806 C GLY A 57 -11.556 -1.130 1.237 1.00 0.00 C ATOM 807 O GLY A 57 -10.597 -1.473 1.929 1.00 0.00 O ATOM 0 H GLY A 57 -11.554 0.612 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.921 0.911 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.579 0.696 1.678 1.00 0.00 H new ATOM 811 N ALA A 58 -12.398 -1.997 0.685 1.00 0.00 N ATOM 812 CA ALA A 58 -12.241 -3.435 0.866 1.00 0.00 C ATOM 813 C ALA A 58 -12.302 -4.165 -0.471 1.00 0.00 C ATOM 814 O ALA A 58 -13.029 -3.760 -1.379 1.00 0.00 O ATOM 815 CB ALA A 58 -13.307 -3.967 1.810 1.00 0.00 C ATOM 0 H ALA A 58 -13.196 -1.729 0.109 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.260 -3.617 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.178 -5.042 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.214 -3.474 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.294 -3.767 1.394 1.00 0.00 H new ATOM 821 N VAL A 59 -11.537 -5.245 -0.586 1.00 0.00 N ATOM 822 CA VAL A 59 -11.504 -6.032 -1.814 1.00 0.00 C ATOM 823 C VAL A 59 -11.755 -7.509 -1.524 1.00 0.00 C ATOM 824 O VAL A 59 -11.261 -8.051 -0.535 1.00 0.00 O ATOM 825 CB VAL A 59 -10.154 -5.885 -2.541 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.194 -6.588 -3.890 1.00 0.00 C ATOM 827 CG2 VAL A 59 -9.794 -4.416 -2.709 1.00 0.00 C ATOM 0 H VAL A 59 -10.931 -5.596 0.156 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.296 -5.649 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.382 -6.357 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.232 -6.473 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.402 -7.648 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.977 -6.147 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.837 -4.333 -3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.566 -3.917 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.720 -3.945 -1.729 1.00 0.00 H new ATOM 837 N GLY A 60 -12.526 -8.154 -2.393 1.00 0.00 N ATOM 838 CA GLY A 60 -12.828 -9.562 -2.214 1.00 0.00 C ATOM 839 C GLY A 60 -13.536 -9.840 -0.903 1.00 0.00 C ATOM 840 O GLY A 60 -14.531 -9.193 -0.577 1.00 0.00 O ATOM 0 H GLY A 60 -12.947 -7.727 -3.218 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.451 -9.905 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.903 -10.137 -2.253 1.00 0.00 H new ATOM 844 N ASP A 61 -13.023 -10.807 -0.150 1.00 0.00 N ATOM 845 CA ASP A 61 -13.612 -11.171 1.134 1.00 0.00 C ATOM 846 C ASP A 61 -12.705 -10.755 2.288 1.00 0.00 C ATOM 847 O ASP A 61 -12.692 -11.393 3.341 1.00 0.00 O ATOM 848 CB ASP A 61 -13.869 -12.678 1.191 1.00 0.00 C ATOM 849 CG ASP A 61 -15.150 -13.018 1.927 1.00 0.00 C ATOM 850 OD1 ASP A 61 -15.192 -12.832 3.161 1.00 0.00 O ATOM 851 OD2 ASP A 61 -16.110 -13.473 1.271 1.00 0.00 O ATOM 0 H ASP A 61 -12.201 -11.353 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.560 -10.642 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.920 -13.074 0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.029 -13.169 1.683 1.00 0.00 H new ATOM 856 N LYS A 62 -11.949 -9.681 2.083 1.00 0.00 N ATOM 857 CA LYS A 62 -11.040 -9.180 3.108 1.00 0.00 C ATOM 858 C LYS A 62 -11.096 -7.658 3.187 1.00 0.00 C ATOM 859 O LYS A 62 -11.787 -7.010 2.401 1.00 0.00 O ATOM 860 CB LYS A 62 -9.608 -9.636 2.816 1.00 0.00 C ATOM 861 CG LYS A 62 -8.816 -9.986 4.066 1.00 0.00 C ATOM 862 CD LYS A 62 -7.808 -11.091 3.792 1.00 0.00 C ATOM 863 CE LYS A 62 -7.083 -11.507 5.062 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.451 -12.849 4.926 1.00 0.00 N ATOM 0 H LYS A 62 -11.948 -9.141 1.217 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.355 -9.587 4.069 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.639 -10.506 2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.087 -8.846 2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.297 -9.099 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.499 -10.302 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.319 -11.953 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.083 -10.750 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.318 -10.768 5.302 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.787 -11.520 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.967 -13.096 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.183 -13.559 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.761 -12.830 4.148 1.00 0.00 H new ATOM 878 N ARG A 63 -10.363 -7.093 4.141 1.00 0.00 N ATOM 879 CA ARG A 63 -10.328 -5.646 4.323 1.00 0.00 C ATOM 880 C ARG A 63 -8.889 -5.143 4.408 1.00 0.00 C ATOM 881 O ARG A 63 -7.966 -5.916 4.664 1.00 0.00 O ATOM 882 CB ARG A 63 -11.098 -5.253 5.587 1.00 0.00 C ATOM 883 CG ARG A 63 -12.187 -4.222 5.338 1.00 0.00 C ATOM 884 CD ARG A 63 -13.542 -4.882 5.131 1.00 0.00 C ATOM 885 NE ARG A 63 -14.619 -4.133 5.775 1.00 0.00 N ATOM 886 CZ ARG A 63 -15.877 -4.559 5.847 1.00 0.00 C ATOM 887 NH1 ARG A 63 -16.222 -5.727 5.318 1.00 0.00 N ATOM 888 NH2 ARG A 63 -16.795 -3.815 6.450 1.00 0.00 N ATOM 0 H ARG A 63 -9.785 -7.615 4.800 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.803 -5.182 3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.547 -6.146 6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.397 -4.859 6.322 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.240 -3.536 6.183 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.933 -3.627 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.746 -4.965 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.516 -5.896 5.530 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.393 -3.231 6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.521 -6.303 4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.188 -6.048 5.377 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.536 -2.917 6.858 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -17.760 -4.141 6.506 1.00 0.00 H new ATOM 902 N TYR A 64 -8.708 -3.845 4.193 1.00 0.00 N ATOM 903 CA TYR A 64 -7.381 -3.240 4.244 1.00 0.00 C ATOM 904 C TYR A 64 -7.453 -1.818 4.792 1.00 0.00 C ATOM 905 O TYR A 64 -6.705 -1.453 5.699 1.00 0.00 O ATOM 906 CB TYR A 64 -6.746 -3.232 2.854 1.00 0.00 C ATOM 907 CG TYR A 64 -6.733 -4.589 2.184 1.00 0.00 C ATOM 908 CD1 TYR A 64 -6.028 -5.650 2.737 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.426 -4.805 1.000 1.00 0.00 C ATOM 910 CE1 TYR A 64 -6.014 -6.891 2.128 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.416 -6.043 0.385 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.709 -7.083 0.953 1.00 0.00 C ATOM 913 OH TYR A 64 -6.697 -8.316 0.343 1.00 0.00 O ATOM 0 H TYR A 64 -9.462 -3.191 3.982 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.762 -3.838 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.287 -2.529 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.722 -2.866 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.482 -5.503 3.657 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.981 -3.994 0.553 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.461 -7.706 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.959 -6.196 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.237 -8.282 -0.474 1.00 0.00 H new ATOM 923 N PHE A 65 -8.356 -1.019 4.231 1.00 0.00 N ATOM 924 CA PHE A 65 -8.524 0.365 4.662 1.00 0.00 C ATOM 925 C PHE A 65 -9.984 0.793 4.563 1.00 0.00 C ATOM 926 O PHE A 65 -10.850 0.000 4.194 1.00 0.00 O ATOM 927 CB PHE A 65 -7.649 1.292 3.816 1.00 0.00 C ATOM 928 CG PHE A 65 -7.752 1.031 2.341 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.996 0.034 1.746 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.605 1.782 1.549 1.00 0.00 C ATOM 931 CE1 PHE A 65 -7.087 -0.209 0.389 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.703 1.544 0.191 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.942 0.548 -0.390 1.00 0.00 C ATOM 0 H PHE A 65 -8.982 -1.306 3.478 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.215 0.436 5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.931 2.326 4.015 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.610 1.180 4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.327 -0.561 2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.201 2.563 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.491 -0.989 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.373 2.136 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.015 0.361 -1.451 1.00 0.00 H new ATOM 943 N THR A 66 -10.250 2.053 4.894 1.00 0.00 N ATOM 944 CA THR A 66 -11.606 2.587 4.841 1.00 0.00 C ATOM 945 C THR A 66 -11.609 4.005 4.280 1.00 0.00 C ATOM 946 O THR A 66 -11.035 4.919 4.872 1.00 0.00 O ATOM 947 CB THR A 66 -12.235 2.576 6.235 1.00 0.00 C ATOM 948 OG1 THR A 66 -11.619 1.600 7.055 1.00 0.00 O ATOM 949 CG2 THR A 66 -13.721 2.291 6.218 1.00 0.00 C ATOM 0 H THR A 66 -9.545 2.723 5.202 1.00 0.00 H new ATOM 0 HA THR A 66 -12.195 1.952 4.179 1.00 0.00 H new ATOM 0 HB THR A 66 -12.079 3.579 6.631 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.034 1.609 7.943 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.104 2.298 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.232 3.056 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.899 1.313 5.770 1.00 0.00 H new ATOM 957 N CYS A 67 -12.261 4.182 3.136 1.00 0.00 N ATOM 958 CA CYS A 67 -12.341 5.490 2.495 1.00 0.00 C ATOM 959 C CYS A 67 -13.553 5.571 1.572 1.00 0.00 C ATOM 960 O CYS A 67 -14.267 4.588 1.381 1.00 0.00 O ATOM 961 CB CYS A 67 -11.062 5.772 1.703 1.00 0.00 C ATOM 962 SG CYS A 67 -10.590 4.445 0.569 1.00 0.00 S ATOM 0 H CYS A 67 -12.742 3.436 2.633 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.451 6.243 3.275 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -11.195 6.692 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.245 5.946 2.403 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.437 4.394 -0.416 1.00 0.00 H new ATOM 968 N LYS A 68 -13.777 6.750 1.001 1.00 0.00 N ATOM 969 CA LYS A 68 -14.903 6.961 0.098 1.00 0.00 C ATOM 970 C LYS A 68 -14.801 6.046 -1.120 1.00 0.00 C ATOM 971 O LYS A 68 -13.729 5.522 -1.425 1.00 0.00 O ATOM 972 CB LYS A 68 -14.958 8.423 -0.350 1.00 0.00 C ATOM 973 CG LYS A 68 -15.869 9.288 0.508 1.00 0.00 C ATOM 974 CD LYS A 68 -16.306 10.541 -0.233 1.00 0.00 C ATOM 975 CE LYS A 68 -16.934 11.556 0.709 1.00 0.00 C ATOM 976 NZ LYS A 68 -18.412 11.625 0.544 1.00 0.00 N ATOM 0 H LYS A 68 -13.194 7.574 1.147 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.820 6.719 0.636 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.951 8.839 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.299 8.465 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.747 8.713 0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.349 9.568 1.424 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.446 10.989 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.021 10.274 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.696 11.292 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -16.502 12.539 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.802 12.328 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.640 11.902 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -18.828 10.693 0.745 1.00 0.00 H new ATOM 990 N PRO A 69 -15.920 5.841 -1.835 1.00 0.00 N ATOM 991 CA PRO A 69 -15.952 4.985 -3.025 1.00 0.00 C ATOM 992 C PRO A 69 -14.948 5.430 -4.085 1.00 0.00 C ATOM 993 O PRO A 69 -14.977 6.572 -4.540 1.00 0.00 O ATOM 994 CB PRO A 69 -17.384 5.142 -3.548 1.00 0.00 C ATOM 995 CG PRO A 69 -18.175 5.594 -2.370 1.00 0.00 C ATOM 996 CD PRO A 69 -17.240 6.427 -1.541 1.00 0.00 C ATOM 0 HA PRO A 69 -15.684 3.955 -2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.431 5.870 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.766 4.200 -3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -19.043 6.175 -2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.549 4.743 -1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -17.284 7.480 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.480 6.367 -0.480 1.00 0.00 H new ATOM 1004 N ASN A 70 -14.062 4.518 -4.473 1.00 0.00 N ATOM 1005 CA ASN A 70 -13.049 4.815 -5.480 1.00 0.00 C ATOM 1006 C ASN A 70 -12.125 5.935 -5.009 1.00 0.00 C ATOM 1007 O ASN A 70 -12.054 6.998 -5.626 1.00 0.00 O ATOM 1008 CB ASN A 70 -13.714 5.205 -6.802 1.00 0.00 C ATOM 1009 CG ASN A 70 -14.033 4.001 -7.667 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.693 3.965 -8.848 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -14.690 3.008 -7.079 1.00 0.00 N ATOM 0 H ASN A 70 -14.025 3.567 -4.105 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.450 3.917 -5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.633 5.754 -6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.057 5.879 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.933 2.172 -7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.952 3.081 -6.096 1.00 0.00 H new ATOM 1018 N TYR A 71 -11.418 5.688 -3.911 1.00 0.00 N ATOM 1019 CA TYR A 71 -10.497 6.675 -3.357 1.00 0.00 C ATOM 1020 C TYR A 71 -9.160 6.032 -3.004 1.00 0.00 C ATOM 1021 O TYR A 71 -8.099 6.562 -3.333 1.00 0.00 O ATOM 1022 CB TYR A 71 -11.105 7.330 -2.114 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.819 8.630 -2.403 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.916 8.668 -3.256 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.398 9.821 -1.823 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.572 9.855 -3.522 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.048 11.011 -2.084 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.135 11.024 -2.933 1.00 0.00 C ATOM 1029 OH TYR A 71 -13.786 12.207 -3.196 1.00 0.00 O ATOM 0 H TYR A 71 -11.465 4.814 -3.387 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.324 7.440 -4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.807 6.634 -1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.314 7.513 -1.387 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.261 7.755 -3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.548 9.816 -1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.422 9.868 -4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.707 11.927 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.354 12.935 -2.702 1.00 0.00 H new ATOM 1039 N GLY A 72 -9.218 4.886 -2.332 1.00 0.00 N ATOM 1040 CA GLY A 72 -8.004 4.191 -1.945 1.00 0.00 C ATOM 1041 C GLY A 72 -7.550 3.191 -2.990 1.00 0.00 C ATOM 1042 O GLY A 72 -8.339 2.759 -3.831 1.00 0.00 O ATOM 0 H GLY A 72 -10.084 4.427 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.211 4.919 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.171 3.674 -1.000 1.00 0.00 H new ATOM 1046 N VAL A 73 -6.275 2.821 -2.937 1.00 0.00 N ATOM 1047 CA VAL A 73 -5.714 1.866 -3.884 1.00 0.00 C ATOM 1048 C VAL A 73 -4.770 0.891 -3.189 1.00 0.00 C ATOM 1049 O VAL A 73 -4.512 1.010 -1.992 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.954 2.578 -5.019 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.914 3.369 -5.893 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.871 3.483 -4.449 1.00 0.00 C ATOM 0 H VAL A 73 -5.610 3.169 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.553 1.315 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.475 1.822 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.358 3.864 -6.689 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.649 2.693 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.425 4.117 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.344 3.978 -5.265 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.327 4.233 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.166 2.886 -3.871 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.258 -0.073 -3.947 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.342 -1.068 -3.403 1.00 0.00 C ATOM 1064 C LEU A 74 -2.279 -1.447 -4.427 1.00 0.00 C ATOM 1065 O LEU A 74 -2.593 -1.775 -5.571 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.111 -2.315 -2.964 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.241 -2.062 -1.963 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.565 -1.884 -2.687 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -5.329 -3.201 -0.958 1.00 0.00 C ATOM 0 H LEU A 74 -4.462 -0.186 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.846 -0.632 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.531 -2.794 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.407 -3.021 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.021 -1.143 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.356 -1.705 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.497 -1.034 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.792 -2.785 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.138 -3.004 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.525 -4.136 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.387 -3.281 -0.415 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.017 -1.397 -4.008 1.00 0.00 N ATOM 1082 CA VAL A 75 0.094 -1.734 -4.889 1.00 0.00 C ATOM 1083 C VAL A 75 1.180 -2.495 -4.136 1.00 0.00 C ATOM 1084 O VAL A 75 1.057 -2.749 -2.938 1.00 0.00 O ATOM 1085 CB VAL A 75 0.712 -0.475 -5.526 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.128 -0.003 -6.703 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.863 0.632 -4.492 1.00 0.00 C ATOM 0 H VAL A 75 -0.740 -1.126 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.311 -2.367 -5.678 1.00 0.00 H new ATOM 0 HB VAL A 75 1.705 -0.731 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.325 0.887 -7.139 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.177 -0.791 -7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.135 0.233 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.301 1.512 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.116 0.887 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.512 0.291 -3.686 1.00 0.00 H new ATOM 1097 N ARG A 76 2.242 -2.861 -4.847 1.00 0.00 N ATOM 1098 CA ARG A 76 3.348 -3.597 -4.245 1.00 0.00 C ATOM 1099 C ARG A 76 4.502 -2.661 -3.890 1.00 0.00 C ATOM 1100 O ARG A 76 4.674 -1.611 -4.507 1.00 0.00 O ATOM 1101 CB ARG A 76 3.839 -4.688 -5.197 1.00 0.00 C ATOM 1102 CG ARG A 76 2.881 -5.862 -5.323 1.00 0.00 C ATOM 1103 CD ARG A 76 3.388 -6.890 -6.321 1.00 0.00 C ATOM 1104 NE ARG A 76 4.733 -7.356 -5.991 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.993 -8.279 -5.067 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.004 -8.835 -4.377 1.00 0.00 N ATOM 1107 NH2 ARG A 76 6.245 -8.646 -4.831 1.00 0.00 N ATOM 0 H ARG A 76 2.360 -2.660 -5.840 1.00 0.00 H new ATOM 0 HA ARG A 76 2.984 -4.059 -3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.999 -4.253 -6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.805 -5.054 -4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.751 -6.333 -4.349 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.901 -5.501 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.706 -7.740 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.390 -6.455 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 76 5.519 -6.950 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.039 -8.556 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.209 -9.541 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.009 -8.221 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.444 -9.353 -4.123 1.00 0.00 H new ATOM 1121 N PRO A 77 5.312 -3.036 -2.881 1.00 0.00 N ATOM 1122 CA PRO A 77 6.454 -2.230 -2.449 1.00 0.00 C ATOM 1123 C PRO A 77 7.268 -1.743 -3.636 1.00 0.00 C ATOM 1124 O PRO A 77 7.467 -0.545 -3.823 1.00 0.00 O ATOM 1125 CB PRO A 77 7.266 -3.207 -1.599 1.00 0.00 C ATOM 1126 CG PRO A 77 6.251 -4.143 -1.040 1.00 0.00 C ATOM 1127 CD PRO A 77 5.179 -4.276 -2.091 1.00 0.00 C ATOM 0 HA PRO A 77 6.158 -1.330 -1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.006 -3.736 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.808 -2.690 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.697 -5.112 -0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.837 -3.757 -0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.330 -5.162 -2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.188 -4.363 -1.645 1.00 0.00 H new ATOM 1135 N SER A 78 7.719 -2.693 -4.451 1.00 0.00 N ATOM 1136 CA SER A 78 8.489 -2.372 -5.640 1.00 0.00 C ATOM 1137 C SER A 78 7.699 -1.410 -6.516 1.00 0.00 C ATOM 1138 O SER A 78 8.270 -0.660 -7.307 1.00 0.00 O ATOM 1139 CB SER A 78 8.826 -3.643 -6.422 1.00 0.00 C ATOM 1140 OG SER A 78 7.783 -4.596 -6.321 1.00 0.00 O ATOM 0 H SER A 78 7.562 -3.690 -4.306 1.00 0.00 H new ATOM 0 HA SER A 78 9.423 -1.899 -5.338 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.996 -3.395 -7.470 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.753 -4.072 -6.042 1.00 0.00 H new ATOM 0 HG SER A 78 8.022 -5.398 -6.831 1.00 0.00 H new ATOM 1146 N ARG A 79 6.376 -1.427 -6.354 1.00 0.00 N ATOM 1147 CA ARG A 79 5.508 -0.543 -7.114 1.00 0.00 C ATOM 1148 C ARG A 79 5.398 0.818 -6.431 1.00 0.00 C ATOM 1149 O ARG A 79 4.918 1.782 -7.028 1.00 0.00 O ATOM 1150 CB ARG A 79 4.120 -1.167 -7.280 1.00 0.00 C ATOM 1151 CG ARG A 79 3.862 -1.712 -8.675 1.00 0.00 C ATOM 1152 CD ARG A 79 3.981 -0.623 -9.730 1.00 0.00 C ATOM 1153 NE ARG A 79 2.675 -0.177 -10.208 1.00 0.00 N ATOM 1154 CZ ARG A 79 1.952 -0.834 -11.112 1.00 0.00 C ATOM 1155 NH1 ARG A 79 2.403 -1.967 -11.638 1.00 0.00 N ATOM 1156 NH2 ARG A 79 0.775 -0.356 -11.493 1.00 0.00 N ATOM 0 H ARG A 79 5.888 -2.043 -5.704 1.00 0.00 H new ATOM 0 HA ARG A 79 5.945 -0.400 -8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.004 -1.974 -6.556 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.364 -0.418 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.572 -2.510 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.866 -2.153 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.524 0.226 -9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.567 -0.995 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 79 2.294 0.689 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.308 -2.338 -11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.844 -2.466 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.424 0.515 -11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.220 -0.859 -12.186 1.00 0.00 H new ATOM 1170 N VAL A 80 5.849 0.897 -5.175 1.00 0.00 N ATOM 1171 CA VAL A 80 5.794 2.153 -4.433 1.00 0.00 C ATOM 1172 C VAL A 80 7.188 2.619 -4.025 1.00 0.00 C ATOM 1173 O VAL A 80 8.000 1.832 -3.539 1.00 0.00 O ATOM 1174 CB VAL A 80 4.914 2.031 -3.174 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.452 1.876 -3.557 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.371 0.869 -2.309 1.00 0.00 C ATOM 0 H VAL A 80 6.251 0.114 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 80 5.352 2.890 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 80 5.019 2.947 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.846 1.791 -2.655 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.131 2.747 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.328 0.978 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.736 0.801 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.301 -0.058 -2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.404 1.029 -2.002 1.00 0.00 H new ATOM 1186 N THR A 81 7.459 3.904 -4.229 1.00 0.00 N ATOM 1187 CA THR A 81 8.755 4.476 -3.884 1.00 0.00 C ATOM 1188 C THR A 81 8.602 5.598 -2.863 1.00 0.00 C ATOM 1189 O THR A 81 7.732 6.459 -3.000 1.00 0.00 O ATOM 1190 CB THR A 81 9.452 5.004 -5.139 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.717 6.073 -5.708 1.00 0.00 O ATOM 1192 CG2 THR A 81 9.634 3.951 -6.210 1.00 0.00 C ATOM 0 H THR A 81 6.798 4.569 -4.631 1.00 0.00 H new ATOM 0 HA THR A 81 9.365 3.689 -3.441 1.00 0.00 H new ATOM 0 HB THR A 81 10.436 5.334 -4.806 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.179 6.398 -6.509 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.134 4.392 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.239 3.134 -5.818 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.660 3.568 -6.513 1.00 0.00 H new