USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 8 SER OG : rot -27:sc= 0.328 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.0063) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -35:sc= 0.233 USER MOD Single : A 33 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ -107:sc= 0.552 (180deg=0.0285) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.763 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00226 USER MOD Single : A 44 SER OG : rot -31:sc= 0.113 USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 0.542 (180deg=-0.0401) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 174:sc= -3.4! USER MOD Single : A 74 ASN : amide:sc= -0.691 K(o=-0.69,f=-1.2!) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= -0.0458 (180deg=-0.292) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.27 F(o=-1,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 157 N SER A 8 1.976 -0.248 5.759 1.00 20.51 N ATOM 158 CA SER A 8 1.062 -1.286 5.291 1.00 21.34 C ATOM 159 C SER A 8 1.497 -2.683 5.791 1.00 0.41 C ATOM 160 O SER A 8 2.690 -2.976 5.838 1.00 74.31 O ATOM 161 CB SER A 8 0.978 -1.238 3.758 1.00 54.15 C ATOM 162 OG SER A 8 2.239 -1.454 3.151 1.00 63.31 O ATOM 0 HA SER A 8 0.070 -1.098 5.703 1.00 21.34 H new ATOM 0 HB2 SER A 8 0.274 -1.993 3.410 1.00 54.15 H new ATOM 0 HB3 SER A 8 0.587 -0.270 3.446 1.00 54.15 H new ATOM 0 HG SER A 8 2.950 -1.166 3.761 1.00 63.31 H new ATOM 168 N ARG A 9 0.530 -3.532 6.185 1.00 32.34 N ATOM 169 CA ARG A 9 0.846 -4.866 6.736 1.00 53.43 C ATOM 170 C ARG A 9 0.107 -5.987 5.987 1.00 13.51 C ATOM 171 O ARG A 9 -0.980 -5.778 5.474 1.00 71.23 O ATOM 172 CB ARG A 9 0.504 -4.953 8.234 1.00 10.03 C ATOM 173 CG ARG A 9 1.271 -3.976 9.128 1.00 63.02 C ATOM 174 CD ARG A 9 0.415 -2.774 9.510 1.00 0.33 C ATOM 175 NE ARG A 9 -0.703 -3.150 10.382 1.00 51.03 N ATOM 176 CZ ARG A 9 -1.925 -2.599 10.347 1.00 11.55 C ATOM 177 NH1 ARG A 9 -2.212 -1.626 9.480 1.00 24.02 N ATOM 178 NH2 ARG A 9 -2.855 -3.018 11.197 1.00 43.30 N ATOM 0 H ARG A 9 -0.467 -3.323 6.134 1.00 32.34 H new ATOM 0 HA ARG A 9 1.919 -5.003 6.603 1.00 53.43 H new ATOM 0 HB2 ARG A 9 -0.564 -4.775 8.359 1.00 10.03 H new ATOM 0 HB3 ARG A 9 0.700 -5.968 8.578 1.00 10.03 H new ATOM 0 HG2 ARG A 9 1.601 -4.490 10.031 1.00 63.02 H new ATOM 0 HG3 ARG A 9 2.167 -3.635 8.610 1.00 63.02 H new ATOM 0 HD2 ARG A 9 1.035 -2.033 10.015 1.00 0.33 H new ATOM 0 HD3 ARG A 9 0.028 -2.303 8.607 1.00 0.33 H new ATOM 0 HE ARG A 9 -0.538 -3.887 11.068 1.00 51.03 H new ATOM 0 HH11 ARG A 9 -1.498 -1.292 8.833 1.00 24.02 H new ATOM 0 HH12 ARG A 9 -3.146 -1.216 9.464 1.00 24.02 H new ATOM 0 HH21 ARG A 9 -2.637 -3.753 11.869 1.00 43.30 H new ATOM 0 HH22 ARG A 9 -3.787 -2.605 11.178 1.00 43.30 H new ATOM 192 N ILE A 10 0.724 -7.175 5.938 1.00 42.44 N ATOM 193 CA ILE A 10 0.188 -8.350 5.230 1.00 25.23 C ATOM 194 C ILE A 10 0.263 -9.573 6.153 1.00 3.21 C ATOM 195 O ILE A 10 1.301 -9.797 6.806 1.00 43.33 O ATOM 196 CB ILE A 10 0.965 -8.683 3.903 1.00 70.42 C ATOM 197 CG1 ILE A 10 1.028 -7.494 2.940 1.00 2.54 C ATOM 198 CG2 ILE A 10 0.333 -9.870 3.171 1.00 20.45 C ATOM 199 CD1 ILE A 10 2.254 -6.625 3.097 1.00 34.42 C ATOM 0 H ILE A 10 1.620 -7.351 6.393 1.00 42.44 H new ATOM 0 HA ILE A 10 -0.840 -8.111 4.959 1.00 25.23 H new ATOM 0 HB ILE A 10 1.980 -8.933 4.212 1.00 70.42 H new ATOM 0 HG12 ILE A 10 0.992 -7.869 1.917 1.00 2.54 H new ATOM 0 HG13 ILE A 10 0.141 -6.878 3.085 1.00 2.54 H new ATOM 0 HG21 ILE A 10 0.893 -10.075 2.258 1.00 20.45 H new ATOM 0 HG22 ILE A 10 0.356 -10.749 3.815 1.00 20.45 H new ATOM 0 HG23 ILE A 10 -0.700 -9.633 2.917 1.00 20.45 H new ATOM 0 HD11 ILE A 10 2.216 -5.808 2.376 1.00 34.42 H new ATOM 0 HD12 ILE A 10 2.283 -6.216 4.107 1.00 34.42 H new ATOM 0 HD13 ILE A 10 3.148 -7.223 2.921 1.00 34.42 H new ATOM 211 N TYR A 11 -0.835 -10.348 6.196 1.00 44.25 N ATOM 212 CA TYR A 11 -0.888 -11.572 6.989 1.00 61.45 C ATOM 213 C TYR A 11 -1.059 -12.779 6.061 1.00 2.10 C ATOM 214 O TYR A 11 -2.091 -12.921 5.385 1.00 14.24 O ATOM 215 CB TYR A 11 -2.067 -11.499 7.977 1.00 14.43 C ATOM 216 CG TYR A 11 -2.007 -12.479 9.150 1.00 31.41 C ATOM 217 CD1 TYR A 11 -2.191 -13.852 8.975 1.00 52.01 C ATOM 218 CD2 TYR A 11 -1.794 -12.014 10.444 1.00 21.33 C ATOM 219 CE1 TYR A 11 -2.155 -14.725 10.046 1.00 51.42 C ATOM 220 CE2 TYR A 11 -1.755 -12.884 11.523 1.00 65.32 C ATOM 221 CZ TYR A 11 -1.938 -14.235 11.319 1.00 40.55 C ATOM 222 OH TYR A 11 -1.904 -15.104 12.389 1.00 1.34 O ATOM 0 H TYR A 11 -1.695 -10.141 5.687 1.00 44.25 H new ATOM 0 HA TYR A 11 0.041 -11.681 7.549 1.00 61.45 H new ATOM 0 HB2 TYR A 11 -2.122 -10.486 8.375 1.00 14.43 H new ATOM 0 HB3 TYR A 11 -2.991 -11.675 7.426 1.00 14.43 H new ATOM 0 HD1 TYR A 11 -2.365 -14.240 7.982 1.00 52.01 H new ATOM 0 HD2 TYR A 11 -1.657 -10.956 10.611 1.00 21.33 H new ATOM 0 HE1 TYR A 11 -2.296 -15.784 9.888 1.00 51.42 H new ATOM 0 HE2 TYR A 11 -1.582 -12.505 12.519 1.00 65.32 H new ATOM 0 HH TYR A 11 -1.741 -14.601 13.214 1.00 1.34 H new ATOM 232 N VAL A 12 -0.060 -13.650 6.026 1.00 75.23 N ATOM 233 CA VAL A 12 -0.203 -14.908 5.293 1.00 55.34 C ATOM 234 C VAL A 12 -0.036 -16.117 6.238 1.00 4.41 C ATOM 235 O VAL A 12 1.027 -16.363 6.769 1.00 3.03 O ATOM 236 CB VAL A 12 0.727 -14.960 4.024 1.00 21.45 C ATOM 237 CG1 VAL A 12 2.182 -14.638 4.331 1.00 74.22 C ATOM 238 CG2 VAL A 12 0.640 -16.299 3.313 1.00 11.11 C ATOM 0 H VAL A 12 0.841 -13.517 6.485 1.00 75.23 H new ATOM 0 HA VAL A 12 -1.219 -14.964 4.901 1.00 55.34 H new ATOM 0 HB VAL A 12 0.350 -14.180 3.363 1.00 21.45 H new ATOM 0 HG11 VAL A 12 2.768 -14.692 3.413 1.00 74.22 H new ATOM 0 HG12 VAL A 12 2.252 -13.633 4.748 1.00 74.22 H new ATOM 0 HG13 VAL A 12 2.570 -15.358 5.052 1.00 74.22 H new ATOM 0 HG21 VAL A 12 1.297 -16.292 2.443 1.00 11.11 H new ATOM 0 HG22 VAL A 12 0.947 -17.093 3.994 1.00 11.11 H new ATOM 0 HG23 VAL A 12 -0.387 -16.474 2.991 1.00 11.11 H new ATOM 248 N GLY A 13 -1.126 -16.837 6.461 1.00 21.34 N ATOM 249 CA GLY A 13 -1.127 -17.941 7.407 1.00 11.43 C ATOM 250 C GLY A 13 -1.562 -19.263 6.796 1.00 14.21 C ATOM 251 O GLY A 13 -2.211 -19.284 5.748 1.00 21.54 O ATOM 0 H GLY A 13 -2.021 -16.676 5.999 1.00 21.34 H new ATOM 0 HA2 GLY A 13 -0.126 -18.054 7.822 1.00 11.43 H new ATOM 0 HA3 GLY A 13 -1.791 -17.697 8.237 1.00 11.43 H new ATOM 255 N ASN A 14 -1.173 -20.381 7.457 1.00 62.14 N ATOM 256 CA ASN A 14 -1.575 -21.760 7.076 1.00 52.21 C ATOM 257 C ASN A 14 -1.065 -22.133 5.670 1.00 43.44 C ATOM 258 O ASN A 14 -1.632 -23.000 5.010 1.00 33.23 O ATOM 259 CB ASN A 14 -3.118 -21.935 7.145 1.00 34.53 C ATOM 260 CG ASN A 14 -3.721 -21.595 8.500 1.00 51.32 C ATOM 261 OD1 ASN A 14 -4.133 -20.463 8.751 1.00 40.34 O ATOM 262 ND2 ASN A 14 -3.785 -22.580 9.379 1.00 22.02 N ATOM 0 H ASN A 14 -0.566 -20.352 8.276 1.00 62.14 H new ATOM 0 HA ASN A 14 -1.114 -22.436 7.796 1.00 52.21 H new ATOM 0 HB2 ASN A 14 -3.579 -21.304 6.385 1.00 34.53 H new ATOM 0 HB3 ASN A 14 -3.368 -22.967 6.897 1.00 34.53 H new ATOM 0 HD21 ASN A 14 -4.186 -22.415 10.302 1.00 22.02 H new ATOM 0 HD22 ASN A 14 -3.433 -23.506 9.134 1.00 22.02 H new ATOM 269 N LEU A 15 0.035 -21.508 5.243 1.00 41.24 N ATOM 270 CA LEU A 15 0.501 -21.625 3.868 1.00 13.21 C ATOM 271 C LEU A 15 1.324 -22.912 3.648 1.00 35.52 C ATOM 272 O LEU A 15 2.284 -23.185 4.380 1.00 10.41 O ATOM 273 CB LEU A 15 1.287 -20.355 3.431 1.00 70.10 C ATOM 274 CG LEU A 15 2.574 -19.988 4.209 1.00 14.45 C ATOM 275 CD1 LEU A 15 3.482 -19.135 3.356 1.00 44.22 C ATOM 276 CD2 LEU A 15 2.299 -19.233 5.497 1.00 42.21 C ATOM 0 H LEU A 15 0.617 -20.916 5.835 1.00 41.24 H new ATOM 0 HA LEU A 15 -0.379 -21.702 3.230 1.00 13.21 H new ATOM 0 HB2 LEU A 15 1.555 -20.474 2.381 1.00 70.10 H new ATOM 0 HB3 LEU A 15 0.607 -19.505 3.492 1.00 70.10 H new ATOM 0 HG LEU A 15 3.047 -20.937 4.461 1.00 14.45 H new ATOM 0 HD11 LEU A 15 4.382 -18.886 3.919 1.00 44.22 H new ATOM 0 HD12 LEU A 15 3.757 -19.684 2.456 1.00 44.22 H new ATOM 0 HD13 LEU A 15 2.963 -18.218 3.077 1.00 44.22 H new ATOM 0 HD21 LEU A 15 3.242 -19.006 5.994 1.00 42.21 H new ATOM 0 HD22 LEU A 15 1.776 -18.304 5.270 1.00 42.21 H new ATOM 0 HD23 LEU A 15 1.681 -19.846 6.153 1.00 42.21 H new ATOM 288 N PRO A 16 0.927 -23.755 2.653 1.00 0.01 N ATOM 289 CA PRO A 16 1.700 -24.950 2.297 1.00 63.42 C ATOM 290 C PRO A 16 2.815 -24.665 1.277 1.00 13.42 C ATOM 291 O PRO A 16 2.528 -24.134 0.194 1.00 21.21 O ATOM 292 CB PRO A 16 0.632 -25.874 1.695 1.00 42.41 C ATOM 293 CG PRO A 16 -0.439 -24.978 1.148 1.00 73.11 C ATOM 294 CD PRO A 16 -0.332 -23.653 1.869 1.00 33.43 C ATOM 0 HA PRO A 16 2.225 -25.370 3.155 1.00 63.42 H new ATOM 0 HB2 PRO A 16 1.056 -26.498 0.908 1.00 42.41 H new ATOM 0 HB3 PRO A 16 0.228 -26.546 2.452 1.00 42.41 H new ATOM 0 HG2 PRO A 16 -0.314 -24.842 0.074 1.00 73.11 H new ATOM 0 HG3 PRO A 16 -1.424 -25.420 1.301 1.00 73.11 H new ATOM 0 HD2 PRO A 16 -0.295 -22.821 1.166 1.00 33.43 H new ATOM 0 HD3 PRO A 16 -1.191 -23.484 2.518 1.00 33.43 H new ATOM 302 N SER A 17 4.059 -25.070 1.657 1.00 40.35 N ATOM 303 CA SER A 17 5.321 -24.931 0.862 1.00 12.54 C ATOM 304 C SER A 17 5.323 -23.774 -0.153 1.00 14.12 C ATOM 305 O SER A 17 5.410 -23.979 -1.368 1.00 21.54 O ATOM 306 CB SER A 17 5.663 -26.253 0.176 1.00 35.23 C ATOM 307 OG SER A 17 5.925 -27.271 1.133 1.00 42.20 O ATOM 0 H SER A 17 4.220 -25.519 2.558 1.00 40.35 H new ATOM 0 HA SER A 17 6.094 -24.673 1.586 1.00 12.54 H new ATOM 0 HB2 SER A 17 4.837 -26.557 -0.467 1.00 35.23 H new ATOM 0 HB3 SER A 17 6.534 -26.119 -0.466 1.00 35.23 H new ATOM 0 HG SER A 17 6.140 -28.108 0.670 1.00 42.20 H new ATOM 313 N HIS A 18 5.213 -22.560 0.363 1.00 61.35 N ATOM 314 CA HIS A 18 5.018 -21.388 -0.472 1.00 61.50 C ATOM 315 C HIS A 18 6.295 -20.527 -0.438 1.00 53.10 C ATOM 316 O HIS A 18 7.395 -21.057 -0.584 1.00 54.11 O ATOM 317 CB HIS A 18 3.781 -20.631 0.054 1.00 74.54 C ATOM 318 CG HIS A 18 2.830 -20.130 -1.004 1.00 71.40 C ATOM 319 ND1 HIS A 18 1.518 -19.803 -0.729 1.00 51.50 N ATOM 320 CD2 HIS A 18 3.004 -19.877 -2.324 1.00 74.12 C ATOM 321 CE1 HIS A 18 0.926 -19.385 -1.833 1.00 31.03 C ATOM 322 NE2 HIS A 18 1.804 -19.416 -2.821 1.00 2.21 N ATOM 0 H HIS A 18 5.256 -22.361 1.363 1.00 61.35 H new ATOM 0 HA HIS A 18 4.839 -21.657 -1.513 1.00 61.50 H new ATOM 0 HB2 HIS A 18 3.233 -21.289 0.728 1.00 74.54 H new ATOM 0 HB3 HIS A 18 4.121 -19.780 0.645 1.00 74.54 H new ATOM 0 HD2 HIS A 18 3.917 -20.012 -2.885 1.00 74.12 H new ATOM 0 HE1 HIS A 18 -0.104 -19.070 -1.915 1.00 31.03 H new ATOM 0 HE2 HIS A 18 1.624 -19.145 -3.788 1.00 2.21 H new ATOM 331 N VAL A 19 6.149 -19.211 -0.267 1.00 24.33 N ATOM 332 CA VAL A 19 7.294 -18.318 -0.098 1.00 12.23 C ATOM 333 C VAL A 19 7.996 -18.530 1.257 1.00 14.42 C ATOM 334 O VAL A 19 7.353 -18.515 2.311 1.00 62.23 O ATOM 335 CB VAL A 19 6.897 -16.823 -0.274 1.00 60.44 C ATOM 336 CG1 VAL A 19 6.749 -16.494 -1.747 1.00 75.44 C ATOM 337 CG2 VAL A 19 5.591 -16.474 0.449 1.00 0.32 C ATOM 0 H VAL A 19 5.244 -18.740 -0.242 1.00 24.33 H new ATOM 0 HA VAL A 19 8.001 -18.575 -0.887 1.00 12.23 H new ATOM 0 HB VAL A 19 7.696 -16.230 0.171 1.00 60.44 H new ATOM 0 HG11 VAL A 19 6.471 -15.446 -1.860 1.00 75.44 H new ATOM 0 HG12 VAL A 19 7.695 -16.675 -2.257 1.00 75.44 H new ATOM 0 HG13 VAL A 19 5.974 -17.124 -2.184 1.00 75.44 H new ATOM 0 HG21 VAL A 19 5.360 -15.420 0.294 1.00 0.32 H new ATOM 0 HG22 VAL A 19 4.781 -17.085 0.052 1.00 0.32 H new ATOM 0 HG23 VAL A 19 5.703 -16.668 1.516 1.00 0.32 H new ATOM 347 N SER A 20 9.315 -18.773 1.200 1.00 32.10 N ATOM 348 CA SER A 20 10.159 -18.859 2.405 1.00 10.21 C ATOM 349 C SER A 20 10.569 -17.441 2.810 1.00 3.15 C ATOM 350 O SER A 20 10.304 -16.526 2.062 1.00 3.44 O ATOM 351 CB SER A 20 11.406 -19.705 2.121 1.00 42.13 C ATOM 352 OG SER A 20 11.097 -20.830 1.314 1.00 43.33 O ATOM 0 H SER A 20 9.824 -18.914 0.327 1.00 32.10 H new ATOM 0 HA SER A 20 9.602 -19.333 3.213 1.00 10.21 H new ATOM 0 HB2 SER A 20 12.157 -19.093 1.622 1.00 42.13 H new ATOM 0 HB3 SER A 20 11.842 -20.040 3.062 1.00 42.13 H new ATOM 0 HG SER A 20 11.912 -21.348 1.149 1.00 43.33 H new ATOM 358 N SER A 21 11.233 -17.261 3.959 1.00 13.33 N ATOM 359 CA SER A 21 11.554 -15.912 4.485 1.00 0.32 C ATOM 360 C SER A 21 12.442 -15.079 3.515 1.00 53.02 C ATOM 361 O SER A 21 12.237 -13.863 3.362 1.00 54.05 O ATOM 362 CB SER A 21 12.228 -16.033 5.857 1.00 33.44 C ATOM 363 OG SER A 21 12.292 -14.782 6.520 1.00 64.21 O ATOM 0 H SER A 21 11.562 -18.027 4.547 1.00 13.33 H new ATOM 0 HA SER A 21 10.611 -15.373 4.584 1.00 0.32 H new ATOM 0 HB2 SER A 21 11.676 -16.744 6.472 1.00 33.44 H new ATOM 0 HB3 SER A 21 13.235 -16.432 5.734 1.00 33.44 H new ATOM 0 HG SER A 21 12.726 -14.895 7.391 1.00 64.21 H new ATOM 369 N ARG A 22 13.390 -15.757 2.842 1.00 71.32 N ATOM 370 CA ARG A 22 14.262 -15.131 1.830 1.00 14.32 C ATOM 371 C ARG A 22 13.447 -14.694 0.602 1.00 2.32 C ATOM 372 O ARG A 22 13.617 -13.571 0.077 1.00 32.13 O ATOM 373 CB ARG A 22 15.376 -16.131 1.427 1.00 22.10 C ATOM 374 CG ARG A 22 16.457 -15.563 0.504 1.00 73.31 C ATOM 375 CD ARG A 22 16.178 -15.835 -0.975 1.00 41.41 C ATOM 376 NE ARG A 22 16.790 -17.084 -1.446 1.00 33.33 N ATOM 377 CZ ARG A 22 17.930 -17.145 -2.157 1.00 63.23 C ATOM 378 NH1 ARG A 22 18.593 -16.036 -2.481 1.00 21.33 N ATOM 379 NH2 ARG A 22 18.406 -18.322 -2.546 1.00 14.02 N ATOM 0 H ARG A 22 13.573 -16.750 2.983 1.00 71.32 H new ATOM 0 HA ARG A 22 14.720 -14.238 2.254 1.00 14.32 H new ATOM 0 HB2 ARG A 22 15.853 -16.503 2.333 1.00 22.10 H new ATOM 0 HB3 ARG A 22 14.914 -16.987 0.935 1.00 22.10 H new ATOM 0 HG2 ARG A 22 16.535 -14.487 0.662 1.00 73.31 H new ATOM 0 HG3 ARG A 22 17.421 -15.995 0.772 1.00 73.31 H new ATOM 0 HD2 ARG A 22 15.101 -15.880 -1.135 1.00 41.41 H new ATOM 0 HD3 ARG A 22 16.554 -15.003 -1.571 1.00 41.41 H new ATOM 0 HE ARG A 22 16.321 -17.961 -1.220 1.00 33.33 H new ATOM 0 HH11 ARG A 22 18.237 -15.126 -2.189 1.00 21.33 H new ATOM 0 HH12 ARG A 22 19.456 -16.097 -3.021 1.00 21.33 H new ATOM 0 HH21 ARG A 22 17.907 -19.179 -2.306 1.00 14.02 H new ATOM 0 HH22 ARG A 22 19.270 -18.370 -3.085 1.00 14.02 H new ATOM 393 N ASP A 23 12.566 -15.592 0.159 1.00 32.14 N ATOM 394 CA ASP A 23 11.711 -15.358 -1.000 1.00 72.23 C ATOM 395 C ASP A 23 10.680 -14.274 -0.699 1.00 0.14 C ATOM 396 O ASP A 23 10.341 -13.487 -1.581 1.00 33.32 O ATOM 397 CB ASP A 23 11.013 -16.653 -1.426 1.00 52.23 C ATOM 398 CG ASP A 23 12.000 -17.758 -1.740 1.00 31.12 C ATOM 399 OD1 ASP A 23 12.568 -17.752 -2.850 1.00 54.43 O ATOM 400 OD2 ASP A 23 12.224 -18.618 -0.864 1.00 72.21 O ATOM 0 H ASP A 23 12.427 -16.503 0.596 1.00 32.14 H new ATOM 0 HA ASP A 23 12.340 -15.017 -1.823 1.00 72.23 H new ATOM 0 HB2 ASP A 23 10.343 -16.981 -0.631 1.00 52.23 H new ATOM 0 HB3 ASP A 23 10.396 -16.459 -2.303 1.00 52.23 H new ATOM 405 N VAL A 24 10.211 -14.224 0.556 1.00 72.04 N ATOM 406 CA VAL A 24 9.376 -13.138 1.030 1.00 1.21 C ATOM 407 C VAL A 24 10.146 -11.834 0.909 1.00 24.12 C ATOM 408 O VAL A 24 9.659 -10.923 0.264 1.00 42.41 O ATOM 409 CB VAL A 24 8.874 -13.343 2.493 1.00 44.10 C ATOM 410 CG1 VAL A 24 8.164 -12.113 3.038 1.00 22.05 C ATOM 411 CG2 VAL A 24 7.927 -14.524 2.584 1.00 33.45 C ATOM 0 H VAL A 24 10.405 -14.937 1.259 1.00 72.04 H new ATOM 0 HA VAL A 24 8.482 -13.112 0.406 1.00 1.21 H new ATOM 0 HB VAL A 24 9.764 -13.529 3.094 1.00 44.10 H new ATOM 0 HG11 VAL A 24 7.834 -12.306 4.059 1.00 22.05 H new ATOM 0 HG12 VAL A 24 8.849 -11.265 3.032 1.00 22.05 H new ATOM 0 HG13 VAL A 24 7.300 -11.885 2.414 1.00 22.05 H new ATOM 0 HG21 VAL A 24 7.593 -14.644 3.615 1.00 33.45 H new ATOM 0 HG22 VAL A 24 7.065 -14.349 1.941 1.00 33.45 H new ATOM 0 HG23 VAL A 24 8.442 -15.429 2.262 1.00 33.45 H new ATOM 421 N GLU A 25 11.378 -11.779 1.447 1.00 13.03 N ATOM 422 CA GLU A 25 12.160 -10.543 1.409 1.00 21.51 C ATOM 423 C GLU A 25 12.355 -10.039 -0.034 1.00 1.44 C ATOM 424 O GLU A 25 11.921 -8.939 -0.338 1.00 71.04 O ATOM 425 CB GLU A 25 13.523 -10.694 2.101 1.00 23.30 C ATOM 426 CG GLU A 25 14.248 -9.362 2.275 1.00 54.52 C ATOM 427 CD GLU A 25 15.703 -9.511 2.664 1.00 1.42 C ATOM 428 OE1 GLU A 25 15.988 -9.629 3.872 1.00 32.11 O ATOM 429 OE2 GLU A 25 16.569 -9.510 1.762 1.00 12.33 O ATOM 0 H GLU A 25 11.842 -12.564 1.904 1.00 13.03 H new ATOM 0 HA GLU A 25 11.583 -9.802 1.962 1.00 21.51 H new ATOM 0 HB2 GLU A 25 13.380 -11.155 3.078 1.00 23.30 H new ATOM 0 HB3 GLU A 25 14.149 -11.370 1.518 1.00 23.30 H new ATOM 0 HG2 GLU A 25 14.185 -8.799 1.344 1.00 54.52 H new ATOM 0 HG3 GLU A 25 13.735 -8.775 3.037 1.00 54.52 H new ATOM 436 N ASN A 26 12.870 -10.876 -0.941 1.00 64.52 N ATOM 437 CA ASN A 26 13.218 -10.396 -2.286 1.00 53.25 C ATOM 438 C ASN A 26 11.967 -10.206 -3.179 1.00 50.12 C ATOM 439 O ASN A 26 11.728 -9.093 -3.719 1.00 42.32 O ATOM 440 CB ASN A 26 14.204 -11.380 -2.939 1.00 74.23 C ATOM 441 CG ASN A 26 15.051 -10.764 -4.057 1.00 42.44 C ATOM 442 OD1 ASN A 26 14.647 -9.817 -4.732 1.00 54.51 O ATOM 443 ND2 ASN A 26 16.245 -11.307 -4.264 1.00 23.52 N ATOM 0 H ASN A 26 13.052 -11.866 -0.777 1.00 64.52 H new ATOM 0 HA ASN A 26 13.687 -9.417 -2.186 1.00 53.25 H new ATOM 0 HB2 ASN A 26 14.868 -11.777 -2.171 1.00 74.23 H new ATOM 0 HB3 ASN A 26 13.645 -12.224 -3.344 1.00 74.23 H new ATOM 0 HD21 ASN A 26 16.852 -10.940 -4.997 1.00 23.52 H new ATOM 0 HD22 ASN A 26 16.555 -12.091 -3.690 1.00 23.52 H new ATOM 450 N GLU A 27 11.127 -11.244 -3.272 1.00 52.33 N ATOM 451 CA GLU A 27 10.012 -11.217 -4.211 1.00 23.11 C ATOM 452 C GLU A 27 8.932 -10.263 -3.713 1.00 61.03 C ATOM 453 O GLU A 27 8.379 -9.506 -4.500 1.00 54.15 O ATOM 454 CB GLU A 27 9.429 -12.617 -4.458 1.00 2.51 C ATOM 455 CG GLU A 27 8.448 -12.688 -5.626 1.00 54.24 C ATOM 456 CD GLU A 27 9.023 -13.386 -6.846 1.00 35.44 C ATOM 457 OE1 GLU A 27 9.729 -12.726 -7.634 1.00 73.01 O ATOM 458 OE2 GLU A 27 8.750 -14.595 -7.023 1.00 31.03 O ATOM 0 H GLU A 27 11.200 -12.097 -2.717 1.00 52.33 H new ATOM 0 HA GLU A 27 10.393 -10.858 -5.167 1.00 23.11 H new ATOM 0 HB2 GLU A 27 10.248 -13.312 -4.643 1.00 2.51 H new ATOM 0 HB3 GLU A 27 8.924 -12.953 -3.553 1.00 2.51 H new ATOM 0 HG2 GLU A 27 7.548 -13.213 -5.305 1.00 54.24 H new ATOM 0 HG3 GLU A 27 8.147 -11.677 -5.901 1.00 54.24 H new ATOM 465 N PHE A 28 8.676 -10.240 -2.398 1.00 3.14 N ATOM 466 CA PHE A 28 7.696 -9.305 -1.847 1.00 23.40 C ATOM 467 C PHE A 28 8.275 -7.878 -1.737 1.00 33.02 C ATOM 468 O PHE A 28 7.490 -6.933 -1.744 1.00 33.34 O ATOM 469 CB PHE A 28 7.111 -9.784 -0.509 1.00 73.54 C ATOM 470 CG PHE A 28 5.795 -10.526 -0.587 1.00 31.10 C ATOM 471 CD1 PHE A 28 4.597 -9.840 -0.719 1.00 40.50 C ATOM 472 CD2 PHE A 28 5.756 -11.910 -0.490 1.00 51.03 C ATOM 473 CE1 PHE A 28 3.387 -10.513 -0.744 1.00 23.45 C ATOM 474 CE2 PHE A 28 4.550 -12.587 -0.525 1.00 35.14 C ATOM 475 CZ PHE A 28 3.366 -11.888 -0.654 1.00 14.22 C ATOM 0 H PHE A 28 9.125 -10.846 -1.711 1.00 3.14 H new ATOM 0 HA PHE A 28 6.866 -9.272 -2.553 1.00 23.40 H new ATOM 0 HB2 PHE A 28 7.843 -10.432 -0.027 1.00 73.54 H new ATOM 0 HB3 PHE A 28 6.978 -8.917 0.138 1.00 73.54 H new ATOM 0 HD1 PHE A 28 4.608 -8.763 -0.804 1.00 40.50 H new ATOM 0 HD2 PHE A 28 6.677 -12.464 -0.386 1.00 51.03 H new ATOM 0 HE1 PHE A 28 2.463 -9.962 -0.834 1.00 23.45 H new ATOM 0 HE2 PHE A 28 4.534 -13.664 -0.451 1.00 35.14 H new ATOM 0 HZ PHE A 28 2.425 -12.418 -0.684 1.00 14.22 H new ATOM 485 N ARG A 29 9.634 -7.690 -1.671 1.00 3.54 N ATOM 486 CA ARG A 29 10.184 -6.315 -1.773 1.00 62.20 C ATOM 487 C ARG A 29 10.067 -5.785 -3.206 1.00 21.01 C ATOM 488 O ARG A 29 10.025 -4.566 -3.400 1.00 65.41 O ATOM 489 CB ARG A 29 11.648 -6.136 -1.286 1.00 54.53 C ATOM 490 CG ARG A 29 12.722 -6.431 -2.324 1.00 4.44 C ATOM 491 CD ARG A 29 14.089 -5.938 -1.901 1.00 73.04 C ATOM 492 NE ARG A 29 14.967 -5.793 -3.061 1.00 52.51 N ATOM 493 CZ ARG A 29 16.082 -5.067 -3.079 1.00 33.02 C ATOM 494 NH1 ARG A 29 16.485 -4.418 -1.985 1.00 72.12 N ATOM 495 NH2 ARG A 29 16.783 -4.980 -4.201 1.00 52.12 N ATOM 0 H ARG A 29 10.324 -8.432 -1.555 1.00 3.54 H new ATOM 0 HA ARG A 29 9.567 -5.736 -1.085 1.00 62.20 H new ATOM 0 HB2 ARG A 29 11.775 -5.111 -0.938 1.00 54.53 H new ATOM 0 HB3 ARG A 29 11.809 -6.786 -0.426 1.00 54.53 H new ATOM 0 HG2 ARG A 29 12.766 -7.506 -2.501 1.00 4.44 H new ATOM 0 HG3 ARG A 29 12.447 -5.963 -3.269 1.00 4.44 H new ATOM 0 HD2 ARG A 29 13.993 -4.981 -1.389 1.00 73.04 H new ATOM 0 HD3 ARG A 29 14.529 -6.637 -1.190 1.00 73.04 H new ATOM 0 HE ARG A 29 14.706 -6.283 -3.917 1.00 52.51 H new ATOM 0 HH11 ARG A 29 15.937 -4.476 -1.127 1.00 72.12 H new ATOM 0 HH12 ARG A 29 17.341 -3.864 -2.007 1.00 72.12 H new ATOM 0 HH21 ARG A 29 16.466 -5.467 -5.039 1.00 52.12 H new ATOM 0 HH22 ARG A 29 17.639 -4.426 -4.226 1.00 52.12 H new ATOM 509 N LYS A 30 10.032 -6.689 -4.210 1.00 24.54 N ATOM 510 CA LYS A 30 9.822 -6.245 -5.594 1.00 64.21 C ATOM 511 C LYS A 30 8.382 -5.677 -5.796 1.00 3.20 C ATOM 512 O LYS A 30 8.167 -4.836 -6.678 1.00 14.33 O ATOM 513 CB LYS A 30 10.209 -7.386 -6.590 1.00 14.00 C ATOM 514 CG LYS A 30 9.070 -8.077 -7.352 1.00 4.22 C ATOM 515 CD LYS A 30 8.691 -7.341 -8.639 1.00 43.42 C ATOM 516 CE LYS A 30 7.250 -7.616 -9.016 1.00 3.10 C ATOM 517 NZ LYS A 30 6.764 -6.727 -10.099 1.00 62.10 N ATOM 0 H LYS A 30 10.143 -7.696 -4.090 1.00 24.54 H new ATOM 0 HA LYS A 30 10.487 -5.410 -5.814 1.00 64.21 H new ATOM 0 HB2 LYS A 30 10.902 -6.972 -7.323 1.00 14.00 H new ATOM 0 HB3 LYS A 30 10.753 -8.149 -6.033 1.00 14.00 H new ATOM 0 HG2 LYS A 30 9.367 -9.097 -7.595 1.00 4.22 H new ATOM 0 HG3 LYS A 30 8.195 -8.146 -6.706 1.00 4.22 H new ATOM 0 HD2 LYS A 30 8.838 -6.269 -8.506 1.00 43.42 H new ATOM 0 HD3 LYS A 30 9.349 -7.655 -9.449 1.00 43.42 H new ATOM 0 HE2 LYS A 30 7.153 -8.655 -9.333 1.00 3.10 H new ATOM 0 HE3 LYS A 30 6.618 -7.490 -8.137 1.00 3.10 H new ATOM 0 HZ1 LYS A 30 5.774 -6.957 -10.318 1.00 62.10 H new ATOM 0 HZ2 LYS A 30 6.829 -5.736 -9.790 1.00 62.10 H new ATOM 0 HZ3 LYS A 30 7.348 -6.864 -10.949 1.00 62.10 H new ATOM 531 N TYR A 31 7.420 -6.118 -4.977 1.00 65.21 N ATOM 532 CA TYR A 31 6.061 -5.560 -5.013 1.00 1.51 C ATOM 533 C TYR A 31 5.909 -4.351 -4.070 1.00 34.43 C ATOM 534 O TYR A 31 5.194 -3.418 -4.382 1.00 13.23 O ATOM 535 CB TYR A 31 5.008 -6.623 -4.665 1.00 65.35 C ATOM 536 CG TYR A 31 4.925 -7.759 -5.665 1.00 31.34 C ATOM 537 CD1 TYR A 31 4.195 -7.638 -6.841 1.00 43.43 C ATOM 538 CD2 TYR A 31 5.569 -8.955 -5.424 1.00 3.45 C ATOM 539 CE1 TYR A 31 4.134 -8.675 -7.749 1.00 34.11 C ATOM 540 CE2 TYR A 31 5.513 -10.002 -6.325 1.00 53.01 C ATOM 541 CZ TYR A 31 4.795 -9.854 -7.483 1.00 62.42 C ATOM 542 OH TYR A 31 4.752 -10.873 -8.396 1.00 24.22 O ATOM 0 H TYR A 31 7.555 -6.855 -4.285 1.00 65.21 H new ATOM 0 HA TYR A 31 5.894 -5.220 -6.035 1.00 1.51 H new ATOM 0 HB2 TYR A 31 5.233 -7.034 -3.681 1.00 65.35 H new ATOM 0 HB3 TYR A 31 4.032 -6.143 -4.594 1.00 65.35 H new ATOM 0 HD1 TYR A 31 3.667 -6.718 -7.047 1.00 43.43 H new ATOM 0 HD2 TYR A 31 6.130 -9.076 -4.509 1.00 3.45 H new ATOM 0 HE1 TYR A 31 3.571 -8.563 -8.664 1.00 34.11 H new ATOM 0 HE2 TYR A 31 6.030 -10.927 -6.118 1.00 53.01 H new ATOM 0 HH TYR A 31 3.875 -10.883 -8.834 1.00 24.22 H new ATOM 552 N GLY A 32 6.584 -4.370 -2.925 1.00 64.33 N ATOM 553 CA GLY A 32 6.539 -3.238 -2.013 1.00 3.12 C ATOM 554 C GLY A 32 7.747 -3.205 -1.104 1.00 42.35 C ATOM 555 O GLY A 32 8.159 -4.247 -0.601 1.00 44.03 O ATOM 0 H GLY A 32 7.162 -5.149 -2.611 1.00 64.33 H new ATOM 0 HA2 GLY A 32 6.488 -2.311 -2.585 1.00 3.12 H new ATOM 0 HA3 GLY A 32 5.632 -3.291 -1.411 1.00 3.12 H new ATOM 559 N ASN A 33 8.305 -2.008 -0.894 1.00 34.35 N ATOM 560 CA ASN A 33 9.539 -1.821 -0.113 1.00 71.30 C ATOM 561 C ASN A 33 9.375 -2.267 1.336 1.00 0.13 C ATOM 562 O ASN A 33 8.602 -1.678 2.085 1.00 5.41 O ATOM 563 CB ASN A 33 9.962 -0.355 -0.142 1.00 33.41 C ATOM 564 CG ASN A 33 11.259 -0.129 -0.876 1.00 34.15 C ATOM 565 OD1 ASN A 33 12.144 -0.993 -0.907 1.00 4.32 O ATOM 566 ND2 ASN A 33 11.392 1.047 -1.465 1.00 70.35 N ATOM 0 H ASN A 33 7.916 -1.139 -1.260 1.00 34.35 H new ATOM 0 HA ASN A 33 10.307 -2.443 -0.573 1.00 71.30 H new ATOM 0 HB2 ASN A 33 9.176 0.235 -0.615 1.00 33.41 H new ATOM 0 HB3 ASN A 33 10.062 0.009 0.881 1.00 33.41 H new ATOM 0 HD21 ASN A 33 12.250 1.270 -1.970 1.00 70.35 H new ATOM 0 HD22 ASN A 33 10.637 1.731 -1.415 1.00 70.35 H new ATOM 573 N ILE A 34 10.110 -3.309 1.710 1.00 32.30 N ATOM 574 CA ILE A 34 9.959 -3.937 3.015 1.00 70.01 C ATOM 575 C ILE A 34 10.734 -3.194 4.105 1.00 64.12 C ATOM 576 O ILE A 34 11.932 -2.929 3.988 1.00 11.31 O ATOM 577 CB ILE A 34 10.286 -5.478 2.946 1.00 74.50 C ATOM 578 CG1 ILE A 34 10.218 -6.169 4.339 1.00 42.34 C ATOM 579 CG2 ILE A 34 11.616 -5.755 2.237 1.00 44.24 C ATOM 580 CD1 ILE A 34 11.553 -6.337 5.076 1.00 51.15 C ATOM 0 H ILE A 34 10.823 -3.739 1.120 1.00 32.30 H new ATOM 0 HA ILE A 34 8.912 -3.860 3.307 1.00 70.01 H new ATOM 0 HB ILE A 34 9.500 -5.927 2.339 1.00 74.50 H new ATOM 0 HG12 ILE A 34 9.545 -5.593 4.975 1.00 42.34 H new ATOM 0 HG13 ILE A 34 9.770 -7.155 4.211 1.00 42.34 H new ATOM 0 HG21 ILE A 34 11.799 -6.829 2.214 1.00 44.24 H new ATOM 0 HG22 ILE A 34 11.571 -5.372 1.217 1.00 44.24 H new ATOM 0 HG23 ILE A 34 12.425 -5.261 2.775 1.00 44.24 H new ATOM 0 HD11 ILE A 34 11.381 -6.830 6.033 1.00 51.15 H new ATOM 0 HD12 ILE A 34 12.228 -6.943 4.472 1.00 51.15 H new ATOM 0 HD13 ILE A 34 12.000 -5.358 5.247 1.00 51.15 H new ATOM 592 N LEU A 35 9.994 -2.821 5.140 1.00 74.34 N ATOM 593 CA LEU A 35 10.544 -2.190 6.324 1.00 44.32 C ATOM 594 C LEU A 35 10.759 -3.230 7.431 1.00 1.21 C ATOM 595 O LEU A 35 11.745 -3.159 8.167 1.00 1.15 O ATOM 596 CB LEU A 35 9.605 -1.069 6.820 1.00 73.05 C ATOM 597 CG LEU A 35 9.826 0.346 6.234 1.00 55.13 C ATOM 598 CD1 LEU A 35 9.597 0.398 4.727 1.00 71.32 C ATOM 599 CD2 LEU A 35 8.912 1.352 6.928 1.00 55.43 C ATOM 0 H LEU A 35 8.983 -2.951 5.178 1.00 74.34 H new ATOM 0 HA LEU A 35 11.507 -1.750 6.067 1.00 44.32 H new ATOM 0 HB2 LEU A 35 8.579 -1.368 6.605 1.00 73.05 H new ATOM 0 HB3 LEU A 35 9.698 -1.005 7.904 1.00 73.05 H new ATOM 0 HG LEU A 35 10.869 0.605 6.415 1.00 55.13 H new ATOM 0 HD11 LEU A 35 9.765 1.413 4.368 1.00 71.32 H new ATOM 0 HD12 LEU A 35 10.289 -0.282 4.230 1.00 71.32 H new ATOM 0 HD13 LEU A 35 8.573 0.100 4.504 1.00 71.32 H new ATOM 0 HD21 LEU A 35 9.077 2.344 6.507 1.00 55.43 H new ATOM 0 HD22 LEU A 35 7.872 1.062 6.778 1.00 55.43 H new ATOM 0 HD23 LEU A 35 9.134 1.369 7.995 1.00 55.43 H new ATOM 611 N LYS A 36 9.842 -4.209 7.538 1.00 44.43 N ATOM 612 CA LYS A 36 9.933 -5.246 8.577 1.00 4.04 C ATOM 613 C LYS A 36 9.411 -6.602 8.055 1.00 22.34 C ATOM 614 O LYS A 36 8.337 -6.675 7.466 1.00 21.42 O ATOM 615 CB LYS A 36 9.144 -4.765 9.822 1.00 3.42 C ATOM 616 CG LYS A 36 9.329 -5.575 11.111 1.00 4.31 C ATOM 617 CD LYS A 36 8.295 -6.693 11.261 1.00 12.32 C ATOM 618 CE LYS A 36 8.023 -7.014 12.724 1.00 51.40 C ATOM 619 NZ LYS A 36 9.233 -7.524 13.426 1.00 24.02 N ATOM 0 H LYS A 36 9.035 -4.302 6.921 1.00 44.43 H new ATOM 0 HA LYS A 36 10.975 -5.403 8.854 1.00 4.04 H new ATOM 0 HB2 LYS A 36 9.427 -3.732 10.026 1.00 3.42 H new ATOM 0 HB3 LYS A 36 8.083 -4.761 9.572 1.00 3.42 H new ATOM 0 HG2 LYS A 36 10.329 -6.007 11.123 1.00 4.31 H new ATOM 0 HG3 LYS A 36 9.261 -4.906 11.969 1.00 4.31 H new ATOM 0 HD2 LYS A 36 7.366 -6.397 10.774 1.00 12.32 H new ATOM 0 HD3 LYS A 36 8.651 -7.589 10.752 1.00 12.32 H new ATOM 0 HE2 LYS A 36 7.663 -6.118 13.229 1.00 51.40 H new ATOM 0 HE3 LYS A 36 7.228 -7.757 12.789 1.00 51.40 H new ATOM 0 HZ1 LYS A 36 9.131 -8.545 13.596 1.00 24.02 H new ATOM 0 HZ2 LYS A 36 10.073 -7.353 12.838 1.00 24.02 H new ATOM 0 HZ3 LYS A 36 9.341 -7.031 14.335 1.00 24.02 H new ATOM 633 N CYS A 37 10.193 -7.668 8.271 1.00 23.23 N ATOM 634 CA CYS A 37 9.779 -9.034 7.927 1.00 51.35 C ATOM 635 C CYS A 37 9.811 -9.914 9.163 1.00 40.35 C ATOM 636 O CYS A 37 10.858 -10.031 9.809 1.00 45.14 O ATOM 637 CB CYS A 37 10.697 -9.640 6.864 1.00 52.43 C ATOM 638 SG CYS A 37 10.005 -9.647 5.201 1.00 15.03 S ATOM 0 H CYS A 37 11.123 -7.609 8.686 1.00 23.23 H new ATOM 0 HA CYS A 37 8.765 -8.983 7.530 1.00 51.35 H new ATOM 0 HB2 CYS A 37 11.635 -9.085 6.852 1.00 52.43 H new ATOM 0 HB3 CYS A 37 10.937 -10.664 7.149 1.00 52.43 H new ATOM 0 HG CYS A 37 10.860 -10.177 4.378 1.00 15.03 H new ATOM 644 N ASP A 38 8.672 -10.503 9.519 1.00 74.12 N ATOM 645 CA ASP A 38 8.629 -11.390 10.677 1.00 2.45 C ATOM 646 C ASP A 38 7.933 -12.699 10.315 1.00 44.04 C ATOM 647 O ASP A 38 6.823 -12.678 9.812 1.00 71.33 O ATOM 648 CB ASP A 38 7.911 -10.711 11.843 1.00 13.10 C ATOM 649 CG ASP A 38 8.395 -11.208 13.188 1.00 35.54 C ATOM 650 OD1 ASP A 38 7.941 -12.281 13.627 1.00 12.31 O ATOM 651 OD2 ASP A 38 9.231 -10.504 13.801 1.00 5.11 O ATOM 0 H ASP A 38 7.783 -10.386 9.033 1.00 74.12 H new ATOM 0 HA ASP A 38 9.652 -11.612 10.983 1.00 2.45 H new ATOM 0 HB2 ASP A 38 8.062 -9.633 11.781 1.00 13.10 H new ATOM 0 HB3 ASP A 38 6.839 -10.888 11.758 1.00 13.10 H new ATOM 656 N VAL A 39 8.587 -13.831 10.552 1.00 24.31 N ATOM 657 CA VAL A 39 7.957 -15.132 10.306 1.00 50.23 C ATOM 658 C VAL A 39 7.837 -15.942 11.618 1.00 33.02 C ATOM 659 O VAL A 39 8.827 -16.230 12.303 1.00 13.21 O ATOM 660 CB VAL A 39 8.671 -15.919 9.146 1.00 72.24 C ATOM 661 CG1 VAL A 39 10.149 -16.178 9.431 1.00 1.31 C ATOM 662 CG2 VAL A 39 7.950 -17.230 8.818 1.00 52.55 C ATOM 0 H VAL A 39 9.541 -13.880 10.910 1.00 24.31 H new ATOM 0 HA VAL A 39 6.940 -14.959 9.954 1.00 50.23 H new ATOM 0 HB VAL A 39 8.618 -15.271 8.271 1.00 72.24 H new ATOM 0 HG11 VAL A 39 10.590 -16.724 8.597 1.00 1.31 H new ATOM 0 HG12 VAL A 39 10.667 -15.227 9.557 1.00 1.31 H new ATOM 0 HG13 VAL A 39 10.246 -16.768 10.343 1.00 1.31 H new ATOM 0 HG21 VAL A 39 8.475 -17.742 8.012 1.00 52.55 H new ATOM 0 HG22 VAL A 39 7.933 -17.867 9.702 1.00 52.55 H new ATOM 0 HG23 VAL A 39 6.928 -17.015 8.506 1.00 52.55 H new ATOM 672 N LYS A 40 6.589 -16.259 11.981 1.00 3.33 N ATOM 673 CA LYS A 40 6.276 -16.969 13.226 1.00 30.35 C ATOM 674 C LYS A 40 5.624 -18.320 12.919 1.00 24.40 C ATOM 675 O LYS A 40 5.068 -18.503 11.846 1.00 60.54 O ATOM 676 CB LYS A 40 5.295 -16.158 14.086 1.00 0.44 C ATOM 677 CG LYS A 40 5.698 -14.715 14.343 1.00 73.54 C ATOM 678 CD LYS A 40 5.763 -14.419 15.826 1.00 25.01 C ATOM 679 CE LYS A 40 5.888 -12.933 16.090 1.00 1.45 C ATOM 680 NZ LYS A 40 6.050 -12.645 17.537 1.00 13.04 N ATOM 0 H LYS A 40 5.768 -16.031 11.420 1.00 3.33 H new ATOM 0 HA LYS A 40 7.213 -17.112 13.765 1.00 30.35 H new ATOM 0 HB2 LYS A 40 4.320 -16.165 13.600 1.00 0.44 H new ATOM 0 HB3 LYS A 40 5.176 -16.661 15.045 1.00 0.44 H new ATOM 0 HG2 LYS A 40 6.669 -14.520 13.888 1.00 73.54 H new ATOM 0 HG3 LYS A 40 4.982 -14.045 13.867 1.00 73.54 H new ATOM 0 HD2 LYS A 40 4.867 -14.802 16.314 1.00 25.01 H new ATOM 0 HD3 LYS A 40 6.613 -14.941 16.265 1.00 25.01 H new ATOM 0 HE2 LYS A 40 6.743 -12.537 15.542 1.00 1.45 H new ATOM 0 HE3 LYS A 40 5.003 -12.421 15.714 1.00 1.45 H new ATOM 0 HZ1 LYS A 40 6.132 -11.618 17.679 1.00 13.04 H new ATOM 0 HZ2 LYS A 40 5.223 -13.001 18.057 1.00 13.04 H new ATOM 0 HZ3 LYS A 40 6.909 -13.114 17.890 1.00 13.04 H new ATOM 694 N LYS A 41 5.687 -19.264 13.851 1.00 55.31 N ATOM 695 CA LYS A 41 4.963 -20.530 13.689 1.00 41.34 C ATOM 696 C LYS A 41 4.152 -20.851 14.950 1.00 33.40 C ATOM 697 O LYS A 41 4.504 -20.411 16.045 1.00 12.10 O ATOM 698 CB LYS A 41 5.912 -21.704 13.304 1.00 4.11 C ATOM 699 CG LYS A 41 6.692 -22.386 14.451 1.00 71.25 C ATOM 700 CD LYS A 41 7.792 -21.518 15.084 1.00 1.13 C ATOM 701 CE LYS A 41 8.922 -21.205 14.108 1.00 51.40 C ATOM 702 NZ LYS A 41 10.091 -20.570 14.784 1.00 1.34 N ATOM 0 H LYS A 41 6.222 -19.185 14.716 1.00 55.31 H new ATOM 0 HA LYS A 41 4.268 -20.409 12.858 1.00 41.34 H new ATOM 0 HB2 LYS A 41 5.319 -22.466 12.799 1.00 4.11 H new ATOM 0 HB3 LYS A 41 6.635 -21.330 12.579 1.00 4.11 H new ATOM 0 HG2 LYS A 41 5.986 -22.678 15.229 1.00 71.25 H new ATOM 0 HG3 LYS A 41 7.144 -23.302 14.070 1.00 71.25 H new ATOM 0 HD2 LYS A 41 7.355 -20.585 15.440 1.00 1.13 H new ATOM 0 HD3 LYS A 41 8.200 -22.032 15.955 1.00 1.13 H new ATOM 0 HE2 LYS A 41 9.243 -22.125 13.619 1.00 51.40 H new ATOM 0 HE3 LYS A 41 8.552 -20.541 13.327 1.00 51.40 H new ATOM 0 HZ1 LYS A 41 10.834 -20.375 14.083 1.00 1.34 H new ATOM 0 HZ2 LYS A 41 9.793 -19.679 15.229 1.00 1.34 H new ATOM 0 HZ3 LYS A 41 10.462 -21.213 15.512 1.00 1.34 H new ATOM 716 N THR A 42 3.046 -21.570 14.785 1.00 71.23 N ATOM 717 CA THR A 42 2.282 -22.068 15.924 1.00 52.34 C ATOM 718 C THR A 42 2.592 -23.561 16.159 1.00 74.34 C ATOM 719 O THR A 42 3.147 -24.237 15.279 1.00 33.43 O ATOM 720 CB THR A 42 0.748 -21.826 15.743 1.00 71.12 C ATOM 721 OG1 THR A 42 0.035 -22.136 16.948 1.00 71.14 O ATOM 722 CG2 THR A 42 0.165 -22.649 14.601 1.00 61.41 C ATOM 0 H THR A 42 2.659 -21.821 13.875 1.00 71.23 H new ATOM 0 HA THR A 42 2.587 -21.508 16.808 1.00 52.34 H new ATOM 0 HB THR A 42 0.630 -20.769 15.503 1.00 71.12 H new ATOM 0 HG1 THR A 42 -0.922 -21.976 16.812 1.00 71.14 H new ATOM 0 HG21 THR A 42 -0.903 -22.447 14.515 1.00 61.41 H new ATOM 0 HG22 THR A 42 0.662 -22.381 13.669 1.00 61.41 H new ATOM 0 HG23 THR A 42 0.318 -23.709 14.801 1.00 61.41 H new ATOM 730 N VAL A 43 2.218 -24.058 17.345 1.00 41.32 N ATOM 731 CA VAL A 43 2.415 -25.465 17.744 1.00 62.11 C ATOM 732 C VAL A 43 1.408 -26.418 17.066 1.00 14.21 C ATOM 733 O VAL A 43 1.556 -27.637 17.141 1.00 21.13 O ATOM 734 CB VAL A 43 2.353 -25.643 19.294 1.00 53.24 C ATOM 735 CG1 VAL A 43 3.524 -24.936 19.962 1.00 33.31 C ATOM 736 CG2 VAL A 43 1.040 -25.120 19.872 1.00 71.31 C ATOM 0 H VAL A 43 1.766 -23.493 18.064 1.00 41.32 H new ATOM 0 HA VAL A 43 3.414 -25.734 17.401 1.00 62.11 H new ATOM 0 HB VAL A 43 2.412 -26.712 19.498 1.00 53.24 H new ATOM 0 HG11 VAL A 43 3.463 -25.072 21.042 1.00 33.31 H new ATOM 0 HG12 VAL A 43 4.460 -25.357 19.596 1.00 33.31 H new ATOM 0 HG13 VAL A 43 3.488 -23.872 19.727 1.00 33.31 H new ATOM 0 HG21 VAL A 43 1.036 -25.262 20.953 1.00 71.31 H new ATOM 0 HG22 VAL A 43 0.940 -24.059 19.645 1.00 71.31 H new ATOM 0 HG23 VAL A 43 0.206 -25.666 19.431 1.00 71.31 H new ATOM 746 N SER A 44 0.389 -25.849 16.404 1.00 50.04 N ATOM 747 CA SER A 44 -0.612 -26.628 15.673 1.00 65.11 C ATOM 748 C SER A 44 -0.059 -27.091 14.306 1.00 22.00 C ATOM 749 O SER A 44 -0.690 -27.903 13.626 1.00 41.44 O ATOM 750 CB SER A 44 -1.883 -25.772 15.490 1.00 52.05 C ATOM 751 OG SER A 44 -2.970 -26.498 14.916 1.00 1.20 O ATOM 0 H SER A 44 0.239 -24.841 16.363 1.00 50.04 H new ATOM 0 HA SER A 44 -0.860 -27.522 16.245 1.00 65.11 H new ATOM 0 HB2 SER A 44 -2.190 -25.376 16.458 1.00 52.05 H new ATOM 0 HB3 SER A 44 -1.650 -24.917 14.855 1.00 52.05 H new ATOM 0 HG SER A 44 -2.621 -27.187 14.313 1.00 1.20 H new ATOM 757 N GLY A 45 1.119 -26.574 13.917 1.00 43.21 N ATOM 758 CA GLY A 45 1.761 -27.005 12.682 1.00 70.31 C ATOM 759 C GLY A 45 1.651 -25.998 11.549 1.00 55.44 C ATOM 760 O GLY A 45 2.229 -26.200 10.482 1.00 32.12 O ATOM 0 H GLY A 45 1.634 -25.865 14.439 1.00 43.21 H new ATOM 0 HA2 GLY A 45 2.815 -27.201 12.881 1.00 70.31 H new ATOM 0 HA3 GLY A 45 1.316 -27.947 12.362 1.00 70.31 H new ATOM 764 N ALA A 46 0.912 -24.915 11.775 1.00 71.20 N ATOM 765 CA ALA A 46 0.752 -23.864 10.772 1.00 12.22 C ATOM 766 C ALA A 46 1.839 -22.802 10.899 1.00 4.11 C ATOM 767 O ALA A 46 2.257 -22.452 12.003 1.00 33.24 O ATOM 768 CB ALA A 46 -0.621 -23.223 10.876 1.00 34.12 C ATOM 0 H ALA A 46 0.412 -24.741 12.647 1.00 71.20 H new ATOM 0 HA ALA A 46 0.848 -24.331 9.792 1.00 12.22 H new ATOM 0 HB1 ALA A 46 -0.717 -22.444 10.120 1.00 34.12 H new ATOM 0 HB2 ALA A 46 -1.389 -23.980 10.717 1.00 34.12 H new ATOM 0 HB3 ALA A 46 -0.744 -22.785 11.866 1.00 34.12 H new ATOM 774 N ALA A 47 2.284 -22.297 9.757 1.00 44.31 N ATOM 775 CA ALA A 47 3.258 -21.211 9.702 1.00 15.33 C ATOM 776 C ALA A 47 2.570 -19.929 9.254 1.00 72.22 C ATOM 777 O ALA A 47 1.566 -19.981 8.548 1.00 23.21 O ATOM 778 CB ALA A 47 4.416 -21.569 8.769 1.00 23.50 C ATOM 0 H ALA A 47 1.981 -22.627 8.841 1.00 44.31 H new ATOM 0 HA ALA A 47 3.674 -21.055 10.697 1.00 15.33 H new ATOM 0 HB1 ALA A 47 5.130 -20.746 8.743 1.00 23.50 H new ATOM 0 HB2 ALA A 47 4.912 -22.468 9.134 1.00 23.50 H new ATOM 0 HB3 ALA A 47 4.032 -21.748 7.765 1.00 23.50 H new ATOM 784 N PHE A 48 3.070 -18.787 9.710 1.00 73.52 N ATOM 785 CA PHE A 48 2.532 -17.488 9.306 1.00 23.35 C ATOM 786 C PHE A 48 3.677 -16.530 9.034 1.00 14.54 C ATOM 787 O PHE A 48 4.737 -16.625 9.645 1.00 33.31 O ATOM 788 CB PHE A 48 1.652 -16.822 10.393 1.00 41.31 C ATOM 789 CG PHE A 48 0.896 -17.752 11.306 1.00 51.14 C ATOM 790 CD1 PHE A 48 -0.318 -18.297 10.928 1.00 40.11 C ATOM 791 CD2 PHE A 48 1.402 -18.053 12.559 1.00 44.14 C ATOM 792 CE1 PHE A 48 -1.011 -19.133 11.778 1.00 64.10 C ATOM 793 CE2 PHE A 48 0.721 -18.885 13.410 1.00 15.15 C ATOM 794 CZ PHE A 48 -0.492 -19.425 13.024 1.00 22.13 C ATOM 0 H PHE A 48 3.851 -18.731 10.363 1.00 73.52 H new ATOM 0 HA PHE A 48 1.920 -17.679 8.424 1.00 23.35 H new ATOM 0 HB2 PHE A 48 2.290 -16.185 11.006 1.00 41.31 H new ATOM 0 HB3 PHE A 48 0.933 -16.170 9.898 1.00 41.31 H new ATOM 0 HD1 PHE A 48 -0.728 -18.065 9.956 1.00 40.11 H new ATOM 0 HD2 PHE A 48 2.345 -17.627 12.870 1.00 44.14 H new ATOM 0 HE1 PHE A 48 -1.955 -19.557 11.471 1.00 64.10 H new ATOM 0 HE2 PHE A 48 1.132 -19.118 14.381 1.00 15.15 H new ATOM 0 HZ PHE A 48 -1.033 -20.074 13.696 1.00 22.13 H new ATOM 804 N ALA A 49 3.455 -15.598 8.133 1.00 44.13 N ATOM 805 CA ALA A 49 4.373 -14.513 7.924 1.00 5.22 C ATOM 806 C ALA A 49 3.622 -13.198 8.000 1.00 0.20 C ATOM 807 O ALA A 49 2.484 -13.059 7.494 1.00 70.13 O ATOM 808 CB ALA A 49 5.118 -14.652 6.600 1.00 1.13 C ATOM 0 H ALA A 49 2.634 -15.576 7.529 1.00 44.13 H new ATOM 0 HA ALA A 49 5.128 -14.537 8.710 1.00 5.22 H new ATOM 0 HB1 ALA A 49 5.803 -13.813 6.478 1.00 1.13 H new ATOM 0 HB2 ALA A 49 5.683 -15.584 6.596 1.00 1.13 H new ATOM 0 HB3 ALA A 49 4.402 -14.658 5.778 1.00 1.13 H new ATOM 814 N PHE A 50 4.269 -12.256 8.656 1.00 12.04 N ATOM 815 CA PHE A 50 3.774 -10.913 8.831 1.00 73.40 C ATOM 816 C PHE A 50 4.737 -9.975 8.123 1.00 54.22 C ATOM 817 O PHE A 50 5.949 -9.946 8.436 1.00 12.23 O ATOM 818 CB PHE A 50 3.683 -10.580 10.327 1.00 23.31 C ATOM 819 CG PHE A 50 2.862 -9.362 10.640 1.00 42.22 C ATOM 820 CD1 PHE A 50 1.476 -9.442 10.666 1.00 34.23 C ATOM 821 CD2 PHE A 50 3.463 -8.146 10.924 1.00 43.21 C ATOM 822 CE1 PHE A 50 0.712 -8.336 10.968 1.00 2.24 C ATOM 823 CE2 PHE A 50 2.700 -7.035 11.225 1.00 24.22 C ATOM 824 CZ PHE A 50 1.322 -7.131 11.248 1.00 12.14 C ATOM 0 H PHE A 50 5.178 -12.412 9.092 1.00 12.04 H new ATOM 0 HA PHE A 50 2.774 -10.807 8.409 1.00 73.40 H new ATOM 0 HB2 PHE A 50 3.258 -11.435 10.852 1.00 23.31 H new ATOM 0 HB3 PHE A 50 4.690 -10.435 10.717 1.00 23.31 H new ATOM 0 HD1 PHE A 50 0.991 -10.382 10.447 1.00 34.23 H new ATOM 0 HD2 PHE A 50 4.540 -8.066 10.910 1.00 43.21 H new ATOM 0 HE1 PHE A 50 -0.365 -8.413 10.986 1.00 2.24 H new ATOM 0 HE2 PHE A 50 3.180 -6.092 11.442 1.00 24.22 H new ATOM 0 HZ PHE A 50 0.723 -6.264 11.485 1.00 12.14 H new ATOM 834 N ILE A 51 4.209 -9.233 7.155 1.00 1.33 N ATOM 835 CA ILE A 51 5.068 -8.441 6.270 1.00 15.50 C ATOM 836 C ILE A 51 4.671 -6.964 6.294 1.00 42.53 C ATOM 837 O ILE A 51 3.514 -6.635 6.114 1.00 71.44 O ATOM 838 CB ILE A 51 5.037 -8.955 4.798 1.00 44.14 C ATOM 839 CG1 ILE A 51 4.380 -10.352 4.682 1.00 54.01 C ATOM 840 CG2 ILE A 51 6.461 -9.012 4.266 1.00 54.54 C ATOM 841 CD1 ILE A 51 4.144 -10.829 3.263 1.00 53.31 C ATOM 0 H ILE A 51 3.210 -9.161 6.962 1.00 1.33 H new ATOM 0 HA ILE A 51 6.083 -8.553 6.651 1.00 15.50 H new ATOM 0 HB ILE A 51 4.434 -8.263 4.209 1.00 44.14 H new ATOM 0 HG12 ILE A 51 5.011 -11.078 5.194 1.00 54.01 H new ATOM 0 HG13 ILE A 51 3.425 -10.333 5.207 1.00 54.01 H new ATOM 0 HG21 ILE A 51 6.451 -9.370 3.237 1.00 54.54 H new ATOM 0 HG22 ILE A 51 6.902 -8.016 4.299 1.00 54.54 H new ATOM 0 HG23 ILE A 51 7.052 -9.691 4.881 1.00 54.54 H new ATOM 0 HD11 ILE A 51 3.681 -11.816 3.283 1.00 53.31 H new ATOM 0 HD12 ILE A 51 3.485 -10.129 2.749 1.00 53.31 H new ATOM 0 HD13 ILE A 51 5.096 -10.886 2.735 1.00 53.31 H new ATOM 853 N GLU A 52 5.627 -6.082 6.556 1.00 12.30 N ATOM 854 CA GLU A 52 5.349 -4.643 6.637 1.00 33.40 C ATOM 855 C GLU A 52 6.073 -3.866 5.529 1.00 12.34 C ATOM 856 O GLU A 52 7.299 -3.861 5.482 1.00 54.11 O ATOM 857 CB GLU A 52 5.742 -4.092 8.014 1.00 40.25 C ATOM 858 CG GLU A 52 5.009 -4.764 9.178 1.00 63.23 C ATOM 859 CD GLU A 52 5.171 -4.030 10.500 1.00 64.25 C ATOM 860 OE1 GLU A 52 4.736 -2.866 10.593 1.00 31.10 O ATOM 861 OE2 GLU A 52 5.726 -4.614 11.452 1.00 75.33 O ATOM 0 H GLU A 52 6.603 -6.332 6.717 1.00 12.30 H new ATOM 0 HA GLU A 52 4.277 -4.509 6.496 1.00 33.40 H new ATOM 0 HB2 GLU A 52 6.816 -4.216 8.152 1.00 40.25 H new ATOM 0 HB3 GLU A 52 5.539 -3.021 8.038 1.00 40.25 H new ATOM 0 HG2 GLU A 52 3.948 -4.834 8.938 1.00 63.23 H new ATOM 0 HG3 GLU A 52 5.378 -5.784 9.290 1.00 63.23 H new ATOM 868 N PHE A 53 5.301 -3.260 4.610 1.00 2.52 N ATOM 869 CA PHE A 53 5.865 -2.409 3.539 1.00 43.24 C ATOM 870 C PHE A 53 5.529 -0.943 3.777 1.00 3.32 C ATOM 871 O PHE A 53 4.731 -0.623 4.652 1.00 44.33 O ATOM 872 CB PHE A 53 5.343 -2.779 2.146 1.00 23.52 C ATOM 873 CG PHE A 53 5.426 -4.231 1.771 1.00 1.23 C ATOM 874 CD1 PHE A 53 6.419 -5.064 2.260 1.00 41.12 C ATOM 875 CD2 PHE A 53 4.499 -4.754 0.905 1.00 15.05 C ATOM 876 CE1 PHE A 53 6.471 -6.385 1.900 1.00 41.32 C ATOM 877 CE2 PHE A 53 4.544 -6.077 0.531 1.00 73.03 C ATOM 878 CZ PHE A 53 5.528 -6.891 1.034 1.00 52.01 C ATOM 0 H PHE A 53 4.285 -3.342 4.585 1.00 2.52 H new ATOM 0 HA PHE A 53 6.942 -2.576 3.572 1.00 43.24 H new ATOM 0 HB2 PHE A 53 4.301 -2.466 2.076 1.00 23.52 H new ATOM 0 HB3 PHE A 53 5.899 -2.202 1.407 1.00 23.52 H new ATOM 0 HD1 PHE A 53 7.163 -4.666 2.935 1.00 41.12 H new ATOM 0 HD2 PHE A 53 3.721 -4.117 0.511 1.00 15.05 H new ATOM 0 HE1 PHE A 53 7.247 -7.025 2.293 1.00 41.32 H new ATOM 0 HE2 PHE A 53 3.809 -6.473 -0.154 1.00 73.03 H new ATOM 0 HZ PHE A 53 5.563 -7.932 0.749 1.00 52.01 H new ATOM 888 N GLU A 54 6.159 -0.046 3.013 1.00 14.03 N ATOM 889 CA GLU A 54 5.748 1.359 3.003 1.00 22.53 C ATOM 890 C GLU A 54 4.536 1.606 2.080 1.00 74.42 C ATOM 891 O GLU A 54 3.709 2.478 2.363 1.00 53.20 O ATOM 892 CB GLU A 54 6.917 2.298 2.644 1.00 23.51 C ATOM 893 CG GLU A 54 7.483 2.161 1.224 1.00 40.43 C ATOM 894 CD GLU A 54 8.622 3.142 0.939 1.00 35.14 C ATOM 895 OE1 GLU A 54 8.847 4.066 1.762 1.00 24.25 O ATOM 896 OE2 GLU A 54 9.299 2.985 -0.106 1.00 24.12 O ATOM 0 H GLU A 54 6.945 -0.264 2.401 1.00 14.03 H new ATOM 0 HA GLU A 54 5.435 1.594 4.020 1.00 22.53 H new ATOM 0 HB2 GLU A 54 6.585 3.327 2.783 1.00 23.51 H new ATOM 0 HB3 GLU A 54 7.726 2.125 3.354 1.00 23.51 H new ATOM 0 HG2 GLU A 54 7.843 1.142 1.079 1.00 40.43 H new ATOM 0 HG3 GLU A 54 6.682 2.322 0.502 1.00 40.43 H new ATOM 903 N ASP A 55 4.411 0.823 0.993 1.00 44.45 N ATOM 904 CA ASP A 55 3.386 1.094 -0.021 1.00 22.22 C ATOM 905 C ASP A 55 2.402 -0.052 -0.185 1.00 41.31 C ATOM 906 O ASP A 55 2.771 -1.203 -0.410 1.00 33.44 O ATOM 907 CB ASP A 55 4.007 1.434 -1.379 1.00 50.21 C ATOM 908 CG ASP A 55 4.428 2.887 -1.467 1.00 24.33 C ATOM 909 OD1 ASP A 55 3.645 3.754 -1.014 1.00 22.23 O ATOM 910 OD2 ASP A 55 5.500 3.172 -2.037 1.00 2.41 O ATOM 0 H ASP A 55 4.998 0.012 0.799 1.00 44.45 H new ATOM 0 HA ASP A 55 2.835 1.960 0.346 1.00 22.22 H new ATOM 0 HB2 ASP A 55 4.873 0.795 -1.551 1.00 50.21 H new ATOM 0 HB3 ASP A 55 3.289 1.217 -2.170 1.00 50.21 H new ATOM 915 N ALA A 56 1.128 0.306 -0.046 1.00 65.50 N ATOM 916 CA ALA A 56 0.016 -0.633 -0.104 1.00 42.13 C ATOM 917 C ALA A 56 -0.439 -1.045 -1.524 1.00 15.05 C ATOM 918 O ALA A 56 -0.683 -2.221 -1.770 1.00 33.40 O ATOM 919 CB ALA A 56 -1.142 -0.062 0.687 1.00 2.44 C ATOM 0 H ALA A 56 0.837 1.271 0.112 1.00 65.50 H new ATOM 0 HA ALA A 56 0.380 -1.563 0.334 1.00 42.13 H new ATOM 0 HB1 ALA A 56 -1.983 -0.755 0.653 1.00 2.44 H new ATOM 0 HB2 ALA A 56 -0.837 0.087 1.723 1.00 2.44 H new ATOM 0 HB3 ALA A 56 -1.441 0.893 0.256 1.00 2.44 H new ATOM 925 N ARG A 57 -0.576 -0.086 -2.455 1.00 50.35 N ATOM 926 CA ARG A 57 -1.262 -0.360 -3.740 1.00 22.52 C ATOM 927 C ARG A 57 -0.403 -1.177 -4.735 1.00 44.11 C ATOM 928 O ARG A 57 -0.949 -1.847 -5.608 1.00 12.31 O ATOM 929 CB ARG A 57 -1.834 0.934 -4.392 1.00 73.14 C ATOM 930 CG ARG A 57 -0.868 1.755 -5.258 1.00 22.21 C ATOM 931 CD ARG A 57 0.106 2.588 -4.446 1.00 21.40 C ATOM 932 NE ARG A 57 1.463 2.480 -4.971 1.00 62.11 N ATOM 933 CZ ARG A 57 2.482 3.260 -4.618 1.00 63.21 C ATOM 934 NH1 ARG A 57 2.317 4.244 -3.743 1.00 64.54 N ATOM 935 NH2 ARG A 57 3.677 3.036 -5.142 1.00 3.43 N ATOM 0 H ARG A 57 -0.231 0.868 -2.351 1.00 50.35 H new ATOM 0 HA ARG A 57 -2.110 -0.996 -3.486 1.00 22.52 H new ATOM 0 HB2 ARG A 57 -2.689 0.655 -5.007 1.00 73.14 H new ATOM 0 HB3 ARG A 57 -2.209 1.578 -3.597 1.00 73.14 H new ATOM 0 HG2 ARG A 57 -0.307 1.080 -5.904 1.00 22.21 H new ATOM 0 HG3 ARG A 57 -1.444 2.413 -5.908 1.00 22.21 H new ATOM 0 HD2 ARG A 57 -0.208 3.632 -4.457 1.00 21.40 H new ATOM 0 HD3 ARG A 57 0.089 2.261 -3.406 1.00 21.40 H new ATOM 0 HE ARG A 57 1.645 1.751 -5.661 1.00 62.11 H new ATOM 0 HH11 ARG A 57 1.399 4.411 -3.331 1.00 64.54 H new ATOM 0 HH12 ARG A 57 3.108 4.833 -3.483 1.00 64.54 H new ATOM 0 HH21 ARG A 57 3.808 2.274 -5.807 1.00 3.43 H new ATOM 0 HH22 ARG A 57 4.467 3.626 -4.881 1.00 3.43 H new ATOM 949 N ASP A 58 0.924 -1.113 -4.605 1.00 52.33 N ATOM 950 CA ASP A 58 1.828 -1.932 -5.430 1.00 4.41 C ATOM 951 C ASP A 58 1.924 -3.377 -4.891 1.00 72.12 C ATOM 952 O ASP A 58 2.170 -4.328 -5.637 1.00 73.43 O ATOM 953 CB ASP A 58 3.208 -1.270 -5.510 1.00 44.14 C ATOM 954 CG ASP A 58 3.358 -0.352 -6.710 1.00 42.12 C ATOM 955 OD1 ASP A 58 2.510 0.550 -6.889 1.00 1.11 O ATOM 956 OD2 ASP A 58 4.341 -0.504 -7.461 1.00 31.41 O ATOM 0 H ASP A 58 1.400 -0.505 -3.939 1.00 52.33 H new ATOM 0 HA ASP A 58 1.418 -1.994 -6.438 1.00 4.41 H new ATOM 0 HB2 ASP A 58 3.384 -0.699 -4.599 1.00 44.14 H new ATOM 0 HB3 ASP A 58 3.974 -2.044 -5.554 1.00 44.14 H new ATOM 961 N ALA A 59 1.707 -3.509 -3.578 1.00 24.42 N ATOM 962 CA ALA A 59 1.640 -4.800 -2.875 1.00 23.03 C ATOM 963 C ALA A 59 0.353 -5.573 -3.208 1.00 14.35 C ATOM 964 O ALA A 59 0.276 -6.810 -3.056 1.00 64.51 O ATOM 965 CB ALA A 59 1.765 -4.563 -1.382 1.00 5.10 C ATOM 0 H ALA A 59 1.570 -2.709 -2.961 1.00 24.42 H new ATOM 0 HA ALA A 59 2.469 -5.421 -3.214 1.00 23.03 H new ATOM 0 HB1 ALA A 59 1.716 -5.517 -0.857 1.00 5.10 H new ATOM 0 HB2 ALA A 59 2.719 -4.080 -1.169 1.00 5.10 H new ATOM 0 HB3 ALA A 59 0.950 -3.921 -1.046 1.00 5.10 H new ATOM 971 N ALA A 60 -0.678 -4.815 -3.599 1.00 75.32 N ATOM 972 CA ALA A 60 -1.970 -5.352 -4.006 1.00 32.43 C ATOM 973 C ALA A 60 -1.863 -6.344 -5.186 1.00 65.13 C ATOM 974 O ALA A 60 -2.696 -7.238 -5.293 1.00 74.34 O ATOM 975 CB ALA A 60 -2.921 -4.212 -4.335 1.00 73.20 C ATOM 0 H ALA A 60 -0.632 -3.797 -3.640 1.00 75.32 H new ATOM 0 HA ALA A 60 -2.366 -5.923 -3.166 1.00 32.43 H new ATOM 0 HB1 ALA A 60 -3.885 -4.619 -4.639 1.00 73.20 H new ATOM 0 HB2 ALA A 60 -3.053 -3.583 -3.455 1.00 73.20 H new ATOM 0 HB3 ALA A 60 -2.507 -3.616 -5.148 1.00 73.20 H new ATOM 981 N ASP A 61 -0.836 -6.190 -6.045 1.00 24.12 N ATOM 982 CA ASP A 61 -0.556 -7.144 -7.131 1.00 33.24 C ATOM 983 C ASP A 61 -0.092 -8.491 -6.576 1.00 32.25 C ATOM 984 O ASP A 61 -0.543 -9.551 -7.043 1.00 32.34 O ATOM 985 CB ASP A 61 0.483 -6.579 -8.109 1.00 13.03 C ATOM 986 CG ASP A 61 -0.132 -5.607 -9.102 1.00 31.44 C ATOM 987 OD1 ASP A 61 -0.371 -4.442 -8.724 1.00 71.24 O ATOM 988 OD2 ASP A 61 -0.384 -6.009 -10.262 1.00 72.22 O ATOM 0 H ASP A 61 -0.184 -5.407 -6.005 1.00 24.12 H new ATOM 0 HA ASP A 61 -1.486 -7.303 -7.676 1.00 33.24 H new ATOM 0 HB2 ASP A 61 1.270 -6.074 -7.549 1.00 13.03 H new ATOM 0 HB3 ASP A 61 0.954 -7.400 -8.650 1.00 13.03 H new ATOM 993 N ALA A 62 0.765 -8.441 -5.556 1.00 24.31 N ATOM 994 CA ALA A 62 1.233 -9.636 -4.862 1.00 62.03 C ATOM 995 C ALA A 62 0.090 -10.347 -4.161 1.00 5.12 C ATOM 996 O ALA A 62 -0.037 -11.572 -4.276 1.00 72.42 O ATOM 997 CB ALA A 62 2.316 -9.275 -3.862 1.00 52.42 C ATOM 0 H ALA A 62 1.152 -7.571 -5.190 1.00 24.31 H new ATOM 0 HA ALA A 62 1.649 -10.315 -5.606 1.00 62.03 H new ATOM 0 HB1 ALA A 62 2.655 -10.177 -3.352 1.00 52.42 H new ATOM 0 HB2 ALA A 62 3.155 -8.816 -4.384 1.00 52.42 H new ATOM 0 HB3 ALA A 62 1.916 -8.573 -3.130 1.00 52.42 H new ATOM 1003 N ILE A 63 -0.767 -9.590 -3.465 1.00 21.24 N ATOM 1004 CA ILE A 63 -1.902 -10.212 -2.781 1.00 63.15 C ATOM 1005 C ILE A 63 -2.948 -10.724 -3.797 1.00 11.31 C ATOM 1006 O ILE A 63 -3.611 -11.712 -3.520 1.00 10.51 O ATOM 1007 CB ILE A 63 -2.501 -9.302 -1.652 1.00 63.21 C ATOM 1008 CG1 ILE A 63 -3.190 -10.139 -0.522 1.00 43.13 C ATOM 1009 CG2 ILE A 63 -3.455 -8.248 -2.213 1.00 54.10 C ATOM 1010 CD1 ILE A 63 -4.634 -10.570 -0.755 1.00 35.15 C ATOM 0 H ILE A 63 -0.700 -8.577 -3.363 1.00 21.24 H new ATOM 0 HA ILE A 63 -1.532 -11.091 -2.253 1.00 63.15 H new ATOM 0 HB ILE A 63 -1.658 -8.777 -1.201 1.00 63.21 H new ATOM 0 HG12 ILE A 63 -2.593 -11.035 -0.354 1.00 43.13 H new ATOM 0 HG13 ILE A 63 -3.156 -9.556 0.398 1.00 43.13 H new ATOM 0 HG21 ILE A 63 -3.846 -7.640 -1.397 1.00 54.10 H new ATOM 0 HG22 ILE A 63 -2.920 -7.610 -2.916 1.00 54.10 H new ATOM 0 HG23 ILE A 63 -4.280 -8.741 -2.727 1.00 54.10 H new ATOM 0 HD11 ILE A 63 -4.986 -11.141 0.104 1.00 35.15 H new ATOM 0 HD12 ILE A 63 -5.260 -9.688 -0.886 1.00 35.15 H new ATOM 0 HD13 ILE A 63 -4.689 -11.190 -1.650 1.00 35.15 H new ATOM 1022 N LYS A 64 -3.092 -10.096 -4.979 1.00 64.43 N ATOM 1023 CA LYS A 64 -4.036 -10.624 -5.966 1.00 74.12 C ATOM 1024 C LYS A 64 -3.484 -11.860 -6.701 1.00 54.42 C ATOM 1025 O LYS A 64 -4.269 -12.686 -7.161 1.00 31.13 O ATOM 1026 CB LYS A 64 -4.579 -9.550 -6.949 1.00 32.34 C ATOM 1027 CG LYS A 64 -3.566 -8.927 -7.908 1.00 3.42 C ATOM 1028 CD LYS A 64 -3.427 -9.679 -9.226 1.00 0.22 C ATOM 1029 CE LYS A 64 -2.385 -9.035 -10.132 1.00 62.15 C ATOM 1030 NZ LYS A 64 -2.828 -7.714 -10.642 1.00 25.14 N ATOM 0 H LYS A 64 -2.587 -9.256 -5.262 1.00 64.43 H new ATOM 0 HA LYS A 64 -4.900 -10.954 -5.390 1.00 74.12 H new ATOM 0 HB2 LYS A 64 -5.376 -10.001 -7.541 1.00 32.34 H new ATOM 0 HB3 LYS A 64 -5.031 -8.749 -6.363 1.00 32.34 H new ATOM 0 HG2 LYS A 64 -3.861 -7.899 -8.116 1.00 3.42 H new ATOM 0 HG3 LYS A 64 -2.593 -8.887 -7.419 1.00 3.42 H new ATOM 0 HD2 LYS A 64 -3.148 -10.714 -9.027 1.00 0.22 H new ATOM 0 HD3 LYS A 64 -4.390 -9.701 -9.736 1.00 0.22 H new ATOM 0 HE2 LYS A 64 -1.451 -8.916 -9.582 1.00 62.15 H new ATOM 0 HE3 LYS A 64 -2.178 -9.697 -10.973 1.00 62.15 H new ATOM 0 HZ1 LYS A 64 -2.960 -7.766 -11.672 1.00 25.14 H new ATOM 0 HZ2 LYS A 64 -3.727 -7.451 -10.190 1.00 25.14 H new ATOM 0 HZ3 LYS A 64 -2.107 -6.997 -10.421 1.00 25.14 H new ATOM 1044 N GLU A 65 -2.156 -12.012 -6.819 1.00 41.24 N ATOM 1045 CA GLU A 65 -1.640 -13.259 -7.392 1.00 61.54 C ATOM 1046 C GLU A 65 -1.476 -14.371 -6.336 1.00 52.23 C ATOM 1047 O GLU A 65 -1.363 -15.547 -6.695 1.00 20.13 O ATOM 1048 CB GLU A 65 -0.363 -13.072 -8.224 1.00 0.13 C ATOM 1049 CG GLU A 65 0.850 -12.585 -7.457 1.00 33.13 C ATOM 1050 CD GLU A 65 2.129 -12.766 -8.247 1.00 75.31 C ATOM 1051 OE1 GLU A 65 2.252 -12.169 -9.334 1.00 63.24 O ATOM 1052 OE2 GLU A 65 3.023 -13.504 -7.775 1.00 12.23 O ATOM 0 H GLU A 65 -1.454 -11.326 -6.541 1.00 41.24 H new ATOM 0 HA GLU A 65 -2.408 -13.588 -8.092 1.00 61.54 H new ATOM 0 HB2 GLU A 65 -0.115 -14.023 -8.696 1.00 0.13 H new ATOM 0 HB3 GLU A 65 -0.573 -12.364 -9.025 1.00 0.13 H new ATOM 0 HG2 GLU A 65 0.723 -11.531 -7.208 1.00 33.13 H new ATOM 0 HG3 GLU A 65 0.926 -13.128 -6.515 1.00 33.13 H new ATOM 1059 N LYS A 66 -1.445 -14.020 -5.037 1.00 12.51 N ATOM 1060 CA LYS A 66 -1.463 -15.056 -3.983 1.00 35.32 C ATOM 1061 C LYS A 66 -2.889 -15.224 -3.379 1.00 62.50 C ATOM 1062 O LYS A 66 -3.080 -15.946 -2.404 1.00 23.31 O ATOM 1063 CB LYS A 66 -0.435 -14.753 -2.877 1.00 74.24 C ATOM 1064 CG LYS A 66 0.990 -14.478 -3.379 1.00 34.20 C ATOM 1065 CD LYS A 66 1.601 -15.636 -4.174 1.00 21.10 C ATOM 1066 CE LYS A 66 2.848 -15.176 -4.923 1.00 52.53 C ATOM 1067 NZ LYS A 66 3.329 -16.179 -5.912 1.00 33.22 N ATOM 0 H LYS A 66 -1.408 -13.059 -4.697 1.00 12.51 H new ATOM 0 HA LYS A 66 -1.182 -15.999 -4.452 1.00 35.32 H new ATOM 0 HB2 LYS A 66 -0.778 -13.888 -2.309 1.00 74.24 H new ATOM 0 HB3 LYS A 66 -0.406 -15.596 -2.187 1.00 74.24 H new ATOM 0 HG2 LYS A 66 0.978 -13.586 -4.005 1.00 34.20 H new ATOM 0 HG3 LYS A 66 1.630 -14.259 -2.524 1.00 34.20 H new ATOM 0 HD2 LYS A 66 1.857 -16.453 -3.499 1.00 21.10 H new ATOM 0 HD3 LYS A 66 0.868 -16.025 -4.881 1.00 21.10 H new ATOM 0 HE2 LYS A 66 2.633 -14.239 -5.437 1.00 52.53 H new ATOM 0 HE3 LYS A 66 3.642 -14.970 -4.205 1.00 52.53 H new ATOM 0 HZ1 LYS A 66 4.177 -15.815 -6.391 1.00 33.22 H new ATOM 0 HZ2 LYS A 66 3.562 -17.066 -5.422 1.00 33.22 H new ATOM 0 HZ3 LYS A 66 2.584 -16.358 -6.615 1.00 33.22 H new ATOM 1081 N ASP A 67 -3.858 -14.554 -4.013 1.00 13.44 N ATOM 1082 CA ASP A 67 -5.319 -14.641 -3.744 1.00 72.42 C ATOM 1083 C ASP A 67 -5.841 -16.073 -3.959 1.00 23.51 C ATOM 1084 O ASP A 67 -5.280 -16.807 -4.782 1.00 73.23 O ATOM 1085 CB ASP A 67 -6.047 -13.632 -4.645 1.00 70.12 C ATOM 1086 CG ASP A 67 -7.560 -13.631 -4.501 1.00 22.22 C ATOM 1087 OD1 ASP A 67 -8.076 -13.145 -3.467 1.00 50.41 O ATOM 1088 OD2 ASP A 67 -8.232 -14.132 -5.420 1.00 40.11 O ATOM 0 H ASP A 67 -3.646 -13.901 -4.767 1.00 13.44 H new ATOM 0 HA ASP A 67 -5.513 -14.394 -2.700 1.00 72.42 H new ATOM 0 HB2 ASP A 67 -5.674 -12.632 -4.424 1.00 70.12 H new ATOM 0 HB3 ASP A 67 -5.794 -13.844 -5.684 1.00 70.12 H new ATOM 1093 N GLY A 68 -6.922 -16.471 -3.257 1.00 61.52 N ATOM 1094 CA GLY A 68 -7.202 -17.886 -3.088 1.00 13.14 C ATOM 1095 C GLY A 68 -7.129 -18.353 -1.652 1.00 73.13 C ATOM 1096 O GLY A 68 -6.812 -19.511 -1.392 1.00 21.31 O ATOM 0 H GLY A 68 -7.591 -15.841 -2.814 1.00 61.52 H new ATOM 0 HA2 GLY A 68 -8.196 -18.100 -3.480 1.00 13.14 H new ATOM 0 HA3 GLY A 68 -6.494 -18.461 -3.684 1.00 13.14 H new ATOM 1100 N CYS A 69 -7.345 -17.409 -0.720 1.00 41.43 N ATOM 1101 CA CYS A 69 -7.342 -17.705 0.714 1.00 43.20 C ATOM 1102 C CYS A 69 -8.405 -18.755 1.073 1.00 53.30 C ATOM 1103 O CYS A 69 -9.574 -18.662 0.669 1.00 45.22 O ATOM 1104 CB CYS A 69 -7.615 -16.406 1.492 1.00 63.03 C ATOM 1105 SG CYS A 69 -7.953 -16.623 3.253 1.00 61.22 S ATOM 0 H CYS A 69 -7.525 -16.430 -0.941 1.00 41.43 H new ATOM 0 HA CYS A 69 -6.367 -18.111 0.983 1.00 43.20 H new ATOM 0 HB2 CYS A 69 -6.754 -15.747 1.382 1.00 63.03 H new ATOM 0 HB3 CYS A 69 -8.465 -15.899 1.035 1.00 63.03 H new ATOM 0 HG CYS A 69 -8.039 -15.459 3.825 1.00 61.22 H new ATOM 1111 N ASP A 70 -7.958 -19.738 1.857 1.00 63.30 N ATOM 1112 CA ASP A 70 -8.746 -20.918 2.186 1.00 12.52 C ATOM 1113 C ASP A 70 -8.674 -21.289 3.661 1.00 51.50 C ATOM 1114 O ASP A 70 -7.575 -21.348 4.258 1.00 1.14 O ATOM 1115 CB ASP A 70 -8.317 -22.093 1.320 1.00 70.10 C ATOM 1116 CG ASP A 70 -9.188 -22.255 0.090 1.00 21.34 C ATOM 1117 OD1 ASP A 70 -10.290 -22.824 0.219 1.00 21.21 O ATOM 1118 OD2 ASP A 70 -8.760 -21.853 -1.012 1.00 13.23 O ATOM 0 H ASP A 70 -7.031 -19.733 2.283 1.00 63.30 H new ATOM 0 HA ASP A 70 -9.787 -20.672 1.978 1.00 12.52 H new ATOM 0 HB2 ASP A 70 -7.281 -21.954 1.012 1.00 70.10 H new ATOM 0 HB3 ASP A 70 -8.354 -23.008 1.911 1.00 70.10 H new ATOM 1123 N PHE A 71 -9.867 -21.582 4.192 1.00 64.24 N ATOM 1124 CA PHE A 71 -10.128 -21.893 5.601 1.00 32.32 C ATOM 1125 C PHE A 71 -11.214 -22.992 5.697 1.00 42.25 C ATOM 1126 O PHE A 71 -12.055 -23.076 4.797 1.00 42.24 O ATOM 1127 CB PHE A 71 -10.531 -20.635 6.392 1.00 51.43 C ATOM 1128 CG PHE A 71 -10.502 -20.828 7.896 1.00 75.15 C ATOM 1129 CD1 PHE A 71 -9.311 -21.120 8.553 1.00 44.21 C ATOM 1130 CD2 PHE A 71 -11.664 -20.739 8.644 1.00 12.23 C ATOM 1131 CE1 PHE A 71 -9.284 -21.313 9.923 1.00 33.12 C ATOM 1132 CE2 PHE A 71 -11.642 -20.935 10.013 1.00 74.32 C ATOM 1133 CZ PHE A 71 -10.451 -21.221 10.652 1.00 22.32 C ATOM 0 H PHE A 71 -10.714 -21.610 3.625 1.00 64.24 H new ATOM 0 HA PHE A 71 -9.209 -22.267 6.052 1.00 32.32 H new ATOM 0 HB2 PHE A 71 -9.860 -19.818 6.126 1.00 51.43 H new ATOM 0 HB3 PHE A 71 -11.535 -20.333 6.092 1.00 51.43 H new ATOM 0 HD1 PHE A 71 -8.395 -21.197 7.986 1.00 44.21 H new ATOM 0 HD2 PHE A 71 -12.599 -20.514 8.152 1.00 12.23 H new ATOM 0 HE1 PHE A 71 -8.351 -21.535 10.420 1.00 33.12 H new ATOM 0 HE2 PHE A 71 -12.557 -20.864 10.583 1.00 74.32 H new ATOM 0 HZ PHE A 71 -10.434 -21.372 11.721 1.00 22.32 H new ATOM 1143 N GLU A 72 -11.136 -23.861 6.747 1.00 44.35 N ATOM 1144 CA GLU A 72 -12.083 -24.999 6.987 1.00 51.10 C ATOM 1145 C GLU A 72 -11.861 -26.208 6.066 1.00 4.11 C ATOM 1146 O GLU A 72 -12.663 -26.537 5.191 1.00 44.03 O ATOM 1147 CB GLU A 72 -13.576 -24.585 6.969 1.00 54.55 C ATOM 1148 CG GLU A 72 -13.978 -23.597 8.059 1.00 24.04 C ATOM 1149 CD GLU A 72 -15.431 -23.168 7.957 1.00 34.21 C ATOM 1150 OE1 GLU A 72 -15.771 -22.456 6.988 1.00 5.01 O ATOM 1151 OE2 GLU A 72 -16.227 -23.527 8.851 1.00 2.41 O ATOM 0 H GLU A 72 -10.408 -23.793 7.459 1.00 44.35 H new ATOM 0 HA GLU A 72 -11.836 -25.313 8.001 1.00 51.10 H new ATOM 0 HB2 GLU A 72 -13.805 -24.146 5.998 1.00 54.55 H new ATOM 0 HB3 GLU A 72 -14.188 -25.481 7.067 1.00 54.55 H new ATOM 0 HG2 GLU A 72 -13.805 -24.050 9.035 1.00 24.04 H new ATOM 0 HG3 GLU A 72 -13.339 -22.716 7.999 1.00 24.04 H new ATOM 1158 N GLY A 73 -10.698 -26.822 6.265 1.00 31.11 N ATOM 1159 CA GLY A 73 -10.355 -28.088 5.622 1.00 4.15 C ATOM 1160 C GLY A 73 -9.476 -27.943 4.394 1.00 41.51 C ATOM 1161 O GLY A 73 -8.946 -28.934 3.902 1.00 1.34 O ATOM 0 H GLY A 73 -9.967 -26.457 6.876 1.00 31.11 H new ATOM 0 HA2 GLY A 73 -9.846 -28.724 6.346 1.00 4.15 H new ATOM 0 HA3 GLY A 73 -11.275 -28.600 5.338 1.00 4.15 H new ATOM 1165 N ASN A 74 -9.303 -26.725 3.911 1.00 70.31 N ATOM 1166 CA ASN A 74 -8.209 -26.426 3.008 1.00 42.44 C ATOM 1167 C ASN A 74 -7.381 -25.329 3.651 1.00 64.21 C ATOM 1168 O ASN A 74 -7.929 -24.322 4.068 1.00 31.13 O ATOM 1169 CB ASN A 74 -8.725 -26.016 1.618 1.00 41.33 C ATOM 1170 CG ASN A 74 -7.619 -25.977 0.570 1.00 63.23 C ATOM 1171 OD1 ASN A 74 -6.634 -26.709 0.660 1.00 21.21 O ATOM 1172 ND2 ASN A 74 -7.783 -25.141 -0.441 1.00 40.32 N ATOM 0 H ASN A 74 -9.905 -25.931 4.129 1.00 70.31 H new ATOM 0 HA ASN A 74 -7.594 -27.311 2.846 1.00 42.44 H new ATOM 0 HB2 ASN A 74 -9.497 -26.717 1.300 1.00 41.33 H new ATOM 0 HB3 ASN A 74 -9.193 -25.034 1.684 1.00 41.33 H new ATOM 0 HD21 ASN A 74 -7.080 -25.088 -1.178 1.00 40.32 H new ATOM 0 HD22 ASN A 74 -8.612 -24.549 -0.484 1.00 40.32 H new ATOM 1179 N LYS A 75 -6.096 -25.575 3.832 1.00 55.01 N ATOM 1180 CA LYS A 75 -5.210 -24.622 4.499 1.00 60.31 C ATOM 1181 C LYS A 75 -4.506 -23.717 3.492 1.00 13.33 C ATOM 1182 O LYS A 75 -3.566 -24.181 2.840 1.00 73.22 O ATOM 1183 CB LYS A 75 -4.156 -25.364 5.354 1.00 12.12 C ATOM 1184 CG LYS A 75 -4.597 -25.771 6.769 1.00 10.41 C ATOM 1185 CD LYS A 75 -5.545 -26.971 6.789 1.00 31.43 C ATOM 1186 CE LYS A 75 -6.956 -26.576 7.208 1.00 72.41 C ATOM 1187 NZ LYS A 75 -7.005 -26.072 8.607 1.00 4.02 N ATOM 0 H LYS A 75 -5.635 -26.432 3.526 1.00 55.01 H new ATOM 0 HA LYS A 75 -5.828 -24.002 5.148 1.00 60.31 H new ATOM 0 HB2 LYS A 75 -3.851 -26.263 4.818 1.00 12.12 H new ATOM 0 HB3 LYS A 75 -3.274 -24.729 5.439 1.00 12.12 H new ATOM 0 HG2 LYS A 75 -3.714 -26.005 7.363 1.00 10.41 H new ATOM 0 HG3 LYS A 75 -5.087 -24.923 7.247 1.00 10.41 H new ATOM 0 HD2 LYS A 75 -5.575 -27.426 5.799 1.00 31.43 H new ATOM 0 HD3 LYS A 75 -5.161 -27.725 7.475 1.00 31.43 H new ATOM 0 HE2 LYS A 75 -7.332 -25.807 6.533 1.00 72.41 H new ATOM 0 HE3 LYS A 75 -7.617 -27.437 7.110 1.00 72.41 H new ATOM 0 HZ1 LYS A 75 -7.964 -26.198 8.988 1.00 4.02 H new ATOM 0 HZ2 LYS A 75 -6.328 -26.603 9.191 1.00 4.02 H new ATOM 0 HZ3 LYS A 75 -6.757 -25.062 8.621 1.00 4.02 H new ATOM 1201 N LEU A 76 -4.931 -22.435 3.364 1.00 12.44 N ATOM 1202 CA LEU A 76 -4.247 -21.519 2.419 1.00 31.05 C ATOM 1203 C LEU A 76 -4.624 -20.041 2.620 1.00 5.02 C ATOM 1204 O LEU A 76 -5.111 -19.416 1.700 1.00 62.31 O ATOM 1205 CB LEU A 76 -4.581 -21.933 0.963 1.00 24.13 C ATOM 1206 CG LEU A 76 -3.384 -22.263 0.055 1.00 0.01 C ATOM 1207 CD1 LEU A 76 -3.862 -22.982 -1.196 1.00 62.42 C ATOM 1208 CD2 LEU A 76 -2.624 -21.001 -0.329 1.00 61.01 C ATOM 0 H LEU A 76 -5.710 -22.025 3.879 1.00 12.44 H new ATOM 0 HA LEU A 76 -3.179 -21.607 2.618 1.00 31.05 H new ATOM 0 HB2 LEU A 76 -5.235 -22.804 0.997 1.00 24.13 H new ATOM 0 HB3 LEU A 76 -5.149 -21.126 0.500 1.00 24.13 H new ATOM 0 HG LEU A 76 -2.707 -22.914 0.608 1.00 0.01 H new ATOM 0 HD11 LEU A 76 -3.008 -23.211 -1.833 1.00 62.42 H new ATOM 0 HD12 LEU A 76 -4.364 -23.908 -0.914 1.00 62.42 H new ATOM 0 HD13 LEU A 76 -4.558 -22.343 -1.739 1.00 62.42 H new ATOM 0 HD21 LEU A 76 -1.783 -21.264 -0.971 1.00 61.01 H new ATOM 0 HD22 LEU A 76 -3.290 -20.323 -0.863 1.00 61.01 H new ATOM 0 HD23 LEU A 76 -2.254 -20.511 0.572 1.00 61.01 H new ATOM 1220 N ARG A 77 -4.300 -19.438 3.759 1.00 51.00 N ATOM 1221 CA ARG A 77 -4.766 -18.067 4.028 1.00 41.33 C ATOM 1222 C ARG A 77 -3.706 -17.046 3.584 1.00 22.01 C ATOM 1223 O ARG A 77 -2.587 -17.049 4.049 1.00 53.31 O ATOM 1224 CB ARG A 77 -5.172 -17.930 5.539 1.00 24.42 C ATOM 1225 CG ARG A 77 -4.895 -16.581 6.245 1.00 13.43 C ATOM 1226 CD ARG A 77 -5.748 -15.418 5.736 1.00 0.51 C ATOM 1227 NE ARG A 77 -6.766 -14.990 6.712 1.00 35.52 N ATOM 1228 CZ ARG A 77 -6.728 -13.838 7.411 1.00 32.12 C ATOM 1229 NH1 ARG A 77 -5.719 -12.976 7.266 1.00 65.13 N ATOM 1230 NH2 ARG A 77 -7.722 -13.546 8.249 1.00 71.34 N ATOM 0 H ARG A 77 -3.733 -19.856 4.497 1.00 51.00 H new ATOM 0 HA ARG A 77 -5.659 -17.852 3.442 1.00 41.33 H new ATOM 0 HB2 ARG A 77 -6.240 -18.136 5.618 1.00 24.42 H new ATOM 0 HB3 ARG A 77 -4.655 -18.711 6.096 1.00 24.42 H new ATOM 0 HG2 ARG A 77 -5.067 -16.702 7.315 1.00 13.43 H new ATOM 0 HG3 ARG A 77 -3.843 -16.327 6.118 1.00 13.43 H new ATOM 0 HD2 ARG A 77 -5.100 -14.574 5.499 1.00 0.51 H new ATOM 0 HD3 ARG A 77 -6.240 -15.712 4.809 1.00 0.51 H new ATOM 0 HE ARG A 77 -7.559 -15.612 6.870 1.00 35.52 H new ATOM 0 HH11 ARG A 77 -4.960 -13.184 6.618 1.00 65.13 H new ATOM 0 HH12 ARG A 77 -5.707 -12.109 7.804 1.00 65.13 H new ATOM 0 HH21 ARG A 77 -8.504 -14.192 8.358 1.00 71.34 H new ATOM 0 HH22 ARG A 77 -7.701 -12.676 8.782 1.00 71.34 H new ATOM 1244 N VAL A 78 -4.051 -16.230 2.593 1.00 24.12 N ATOM 1245 CA VAL A 78 -3.239 -15.068 2.235 1.00 20.22 C ATOM 1246 C VAL A 78 -4.158 -13.850 2.203 1.00 35.52 C ATOM 1247 O VAL A 78 -5.094 -13.822 1.401 1.00 0.34 O ATOM 1248 CB VAL A 78 -2.554 -15.210 0.841 1.00 2.45 C ATOM 1249 CG1 VAL A 78 -1.461 -14.163 0.668 1.00 11.50 C ATOM 1250 CG2 VAL A 78 -1.990 -16.610 0.598 1.00 62.23 C ATOM 0 H VAL A 78 -4.888 -16.351 2.022 1.00 24.12 H new ATOM 0 HA VAL A 78 -2.445 -14.971 2.975 1.00 20.22 H new ATOM 0 HB VAL A 78 -3.331 -15.045 0.095 1.00 2.45 H new ATOM 0 HG11 VAL A 78 -0.996 -14.280 -0.311 1.00 11.50 H new ATOM 0 HG12 VAL A 78 -1.896 -13.167 0.746 1.00 11.50 H new ATOM 0 HG13 VAL A 78 -0.707 -14.292 1.445 1.00 11.50 H new ATOM 0 HG21 VAL A 78 -1.526 -16.649 -0.387 1.00 62.23 H new ATOM 0 HG22 VAL A 78 -1.245 -16.839 1.360 1.00 62.23 H new ATOM 0 HG23 VAL A 78 -2.797 -17.341 0.648 1.00 62.23 H new ATOM 1260 N GLU A 79 -3.915 -12.853 3.061 1.00 44.44 N ATOM 1261 CA GLU A 79 -4.807 -11.693 3.101 1.00 32.42 C ATOM 1262 C GLU A 79 -4.087 -10.422 3.557 1.00 62.23 C ATOM 1263 O GLU A 79 -3.220 -10.458 4.448 1.00 65.01 O ATOM 1264 CB GLU A 79 -5.989 -11.998 4.029 1.00 25.43 C ATOM 1265 CG GLU A 79 -7.123 -10.991 3.959 1.00 51.23 C ATOM 1266 CD GLU A 79 -8.179 -11.265 4.998 1.00 14.44 C ATOM 1267 OE1 GLU A 79 -8.034 -10.770 6.142 1.00 64.15 O ATOM 1268 OE2 GLU A 79 -9.138 -11.995 4.688 1.00 14.33 O ATOM 0 H GLU A 79 -3.134 -12.825 3.717 1.00 44.44 H new ATOM 0 HA GLU A 79 -5.164 -11.507 2.088 1.00 32.42 H new ATOM 0 HB2 GLU A 79 -6.381 -12.985 3.784 1.00 25.43 H new ATOM 0 HB3 GLU A 79 -5.625 -12.045 5.055 1.00 25.43 H new ATOM 0 HG2 GLU A 79 -6.726 -9.986 4.101 1.00 51.23 H new ATOM 0 HG3 GLU A 79 -7.573 -11.019 2.967 1.00 51.23 H new ATOM 1275 N VAL A 80 -4.432 -9.299 2.927 1.00 63.41 N ATOM 1276 CA VAL A 80 -4.016 -7.996 3.425 1.00 32.10 C ATOM 1277 C VAL A 80 -5.058 -7.387 4.375 1.00 43.31 C ATOM 1278 O VAL A 80 -6.233 -7.257 4.028 1.00 23.21 O ATOM 1279 CB VAL A 80 -3.681 -6.991 2.293 1.00 44.33 C ATOM 1280 CG1 VAL A 80 -2.399 -7.410 1.611 1.00 32.31 C ATOM 1281 CG2 VAL A 80 -4.795 -6.855 1.256 1.00 52.51 C ATOM 0 H VAL A 80 -4.995 -9.269 2.077 1.00 63.41 H new ATOM 0 HA VAL A 80 -3.097 -8.180 3.982 1.00 32.10 H new ATOM 0 HB VAL A 80 -3.568 -6.013 2.760 1.00 44.33 H new ATOM 0 HG11 VAL A 80 -2.163 -6.704 0.815 1.00 32.31 H new ATOM 0 HG12 VAL A 80 -1.587 -7.422 2.338 1.00 32.31 H new ATOM 0 HG13 VAL A 80 -2.521 -8.407 1.187 1.00 32.31 H new ATOM 0 HG21 VAL A 80 -4.496 -6.137 0.493 1.00 52.51 H new ATOM 0 HG22 VAL A 80 -4.979 -7.823 0.791 1.00 52.51 H new ATOM 0 HG23 VAL A 80 -5.706 -6.508 1.744 1.00 52.51 H new ATOM 1291 N PRO A 81 -4.641 -7.010 5.600 1.00 64.13 N ATOM 1292 CA PRO A 81 -5.444 -6.146 6.471 1.00 20.32 C ATOM 1293 C PRO A 81 -5.265 -4.636 6.189 1.00 71.24 C ATOM 1294 O PRO A 81 -5.676 -3.808 7.007 1.00 3.44 O ATOM 1295 CB PRO A 81 -4.932 -6.496 7.873 1.00 54.42 C ATOM 1296 CG PRO A 81 -3.529 -6.958 7.685 1.00 1.45 C ATOM 1297 CD PRO A 81 -3.430 -7.507 6.283 1.00 11.31 C ATOM 0 HA PRO A 81 -6.511 -6.316 6.323 1.00 20.32 H new ATOM 0 HB2 PRO A 81 -4.974 -5.629 8.533 1.00 54.42 H new ATOM 0 HB3 PRO A 81 -5.543 -7.275 8.330 1.00 54.42 H new ATOM 0 HG2 PRO A 81 -2.829 -6.134 7.827 1.00 1.45 H new ATOM 0 HG3 PRO A 81 -3.273 -7.723 8.418 1.00 1.45 H new ATOM 0 HD2 PRO A 81 -2.524 -7.161 5.785 1.00 11.31 H new ATOM 0 HD3 PRO A 81 -3.396 -8.596 6.286 1.00 11.31 H new ATOM 1305 N PHE A 82 -4.650 -4.265 5.049 1.00 11.11 N ATOM 1306 CA PHE A 82 -4.527 -2.844 4.696 1.00 52.23 C ATOM 1307 C PHE A 82 -5.558 -2.417 3.637 1.00 74.33 C ATOM 1308 O PHE A 82 -5.855 -1.225 3.521 1.00 22.02 O ATOM 1309 CB PHE A 82 -3.070 -2.448 4.273 1.00 70.24 C ATOM 1310 CG PHE A 82 -2.451 -3.115 3.043 1.00 73.14 C ATOM 1311 CD1 PHE A 82 -3.023 -3.005 1.788 1.00 51.44 C ATOM 1312 CD2 PHE A 82 -1.258 -3.799 3.157 1.00 63.12 C ATOM 1313 CE1 PHE A 82 -2.428 -3.565 0.681 1.00 4.11 C ATOM 1314 CE2 PHE A 82 -0.647 -4.347 2.055 1.00 1.41 C ATOM 1315 CZ PHE A 82 -1.237 -4.237 0.816 1.00 54.01 C ATOM 0 H PHE A 82 -4.242 -4.913 4.375 1.00 11.11 H new ATOM 0 HA PHE A 82 -4.750 -2.289 5.607 1.00 52.23 H new ATOM 0 HB2 PHE A 82 -3.056 -1.371 4.106 1.00 70.24 H new ATOM 0 HB3 PHE A 82 -2.415 -2.647 5.121 1.00 70.24 H new ATOM 0 HD1 PHE A 82 -3.954 -2.469 1.675 1.00 51.44 H new ATOM 0 HD2 PHE A 82 -0.797 -3.905 4.128 1.00 63.12 H new ATOM 0 HE1 PHE A 82 -2.895 -3.477 -0.289 1.00 4.11 H new ATOM 0 HE2 PHE A 82 0.295 -4.864 2.161 1.00 1.41 H new ATOM 0 HZ PHE A 82 -0.764 -4.678 -0.049 1.00 54.01 H new ATOM 1325 N ASN A 83 -6.095 -3.416 2.896 1.00 61.21 N ATOM 1326 CA ASN A 83 -6.946 -3.222 1.684 1.00 61.41 C ATOM 1327 C ASN A 83 -6.172 -2.580 0.509 1.00 34.02 C ATOM 1328 O ASN A 83 -5.769 -3.291 -0.413 1.00 43.32 O ATOM 1329 CB ASN A 83 -8.248 -2.449 1.975 1.00 21.12 C ATOM 1330 CG ASN A 83 -9.462 -3.343 2.200 1.00 2.23 C ATOM 1331 OD1 ASN A 83 -9.572 -4.436 1.442 1.00 51.22 O flip ATOM 1332 ND2 ASN A 83 -10.324 -3.032 3.018 1.00 43.44 N flip ATOM 0 H ASN A 83 -5.950 -4.400 3.123 1.00 61.21 H new ATOM 0 HA ASN A 83 -7.235 -4.227 1.377 1.00 61.41 H new ATOM 0 HB2 ASN A 83 -8.099 -1.826 2.857 1.00 21.12 H new ATOM 0 HB3 ASN A 83 -8.454 -1.777 1.142 1.00 21.12 H new ATOM 0 HD21 ASN A 83 -10.211 -2.190 3.583 1.00 43.44 H new ATOM 0 HD22 ASN A 83 -11.153 -3.616 3.132 1.00 43.44 H new