USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 748 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 89 THR OG1 : rot -130:sc= 0.173 USER MOD Set 1.2: A 92 GLN : amide:sc= 0.778 K(o=0.95,f=0.018) USER MOD Set 2.1: A 44 ASN : amide:sc= -0.494 K(o=-0.2,f=-3.3!) USER MOD Set 2.2: A 56 TYR OH : rot -9:sc= 0.296 USER MOD Set 3.1: A 32 SER OG : rot 99:sc= -1.41! USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 1.05 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.01 F(o=-3.8!,f=-1) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.18 F(o=-1.4,f=-0.18) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -2.05! C(o=-2.9!,f=-2!) USER MOD Single : A 26 ASN : amide:sc= 0.144 X(o=0.14,f=-0.12) USER MOD Single : A 39 GLN :FLIP amide:sc= -2.38 F(o=-3.8!,f=-2.4) USER MOD Single : A 42 SER OG : rot 102:sc= 0.0477 USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-2!,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0318 (180deg=-0.278) USER MOD Single : A 61 SER OG : rot -50:sc= -1.9! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0219 F(o=-0.71,f=-0.022) USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 0.87 (180deg=0.373) USER MOD Single : A 78 MET CE :methyl 148:sc= -2.16! (180deg=-3.37!) USER MOD Single : A 79 GLN :FLIP amide:sc= 0.28 F(o=-4.3!,f=0.28) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.529 F(o=-1.7,f=-0.53) USER MOD Single : A 85 MET CE :methyl 177:sc= -3.2! (180deg=-3.31!) USER MOD Single : A 86 THR OG1 : rot 90:sc= 1.02 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-9.9!) USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= -0.0225 (180deg=-0.24) USER MOD Single : A 98 THR OG1 : rot -36:sc= 0.412 USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= 1.26 (180deg=1.13) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.490 -10.571 -4.420 1.00 0.00 N ATOM 154 CA VAL A 12 -8.354 -10.029 -5.724 1.00 0.00 C ATOM 155 C VAL A 12 -7.052 -9.255 -5.811 1.00 0.00 C ATOM 156 O VAL A 12 -6.693 -8.503 -4.890 1.00 0.00 O ATOM 157 CB VAL A 12 -9.583 -9.132 -6.119 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.758 -7.939 -5.179 1.00 0.00 C ATOM 159 CG2 VAL A 12 -9.494 -8.672 -7.574 1.00 0.00 C ATOM 0 HA VAL A 12 -8.331 -10.850 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.470 -9.756 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.620 -7.351 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.916 -8.297 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.863 -7.317 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.359 -8.054 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.583 -8.091 -7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.477 -9.542 -8.230 1.00 0.00 H new ATOM 169 N VAL A 13 -6.319 -9.506 -6.850 1.00 0.00 N ATOM 170 CA VAL A 13 -5.116 -8.785 -7.122 1.00 0.00 C ATOM 171 C VAL A 13 -5.444 -7.788 -8.207 1.00 0.00 C ATOM 172 O VAL A 13 -6.252 -8.085 -9.087 1.00 0.00 O ATOM 173 CB VAL A 13 -3.951 -9.734 -7.568 1.00 0.00 C ATOM 174 CG1 VAL A 13 -4.284 -10.485 -8.850 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.634 -8.973 -7.707 1.00 0.00 C ATOM 0 H VAL A 13 -6.541 -10.224 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.765 -8.285 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.830 -10.477 -6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.448 -11.130 -9.121 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.176 -11.092 -8.695 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.466 -9.771 -9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.847 -9.661 -8.017 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.745 -8.187 -8.454 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.369 -8.527 -6.748 1.00 0.00 H new ATOM 185 N GLN A 14 -4.911 -6.618 -8.118 1.00 0.00 N ATOM 186 CA GLN A 14 -5.169 -5.618 -9.108 1.00 0.00 C ATOM 187 C GLN A 14 -3.952 -4.739 -9.274 1.00 0.00 C ATOM 188 O GLN A 14 -3.195 -4.514 -8.312 1.00 0.00 O ATOM 189 CB GLN A 14 -6.459 -4.834 -8.768 1.00 0.00 C ATOM 190 CG GLN A 14 -6.441 -4.094 -7.447 1.00 0.00 C ATOM 191 CD GLN A 14 -6.235 -2.617 -7.633 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.016 -2.214 -7.713 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.190 -1.852 -7.753 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.288 -6.324 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.353 -6.088 -10.074 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.647 -4.115 -9.565 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.297 -5.531 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.381 -4.266 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.646 -4.495 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.142 -2.210 -7.683 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.030 -0.859 -7.922 1.00 0.00 H new ATOM 202 N ARG A 15 -3.764 -4.244 -10.453 1.00 0.00 N ATOM 203 CA ARG A 15 -2.582 -3.495 -10.783 1.00 0.00 C ATOM 204 C ARG A 15 -2.889 -2.006 -10.713 1.00 0.00 C ATOM 205 O ARG A 15 -4.002 -1.586 -11.018 1.00 0.00 O ATOM 206 CB ARG A 15 -2.058 -3.935 -12.175 1.00 0.00 C ATOM 207 CG ARG A 15 -3.003 -3.682 -13.348 1.00 0.00 C ATOM 208 CD ARG A 15 -2.654 -2.405 -14.079 1.00 0.00 C ATOM 209 NE ARG A 15 -1.352 -2.535 -14.731 1.00 0.00 N ATOM 210 CZ ARG A 15 -0.645 -1.549 -15.271 1.00 0.00 C ATOM 211 NH1 ARG A 15 -1.076 -0.304 -15.215 1.00 0.00 N ATOM 212 NH2 ARG A 15 0.494 -1.821 -15.889 1.00 0.00 N ATOM 0 H ARG A 15 -4.425 -4.345 -11.223 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.788 -3.696 -10.063 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.119 -3.417 -12.370 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.832 -5.001 -12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.957 -4.522 -14.041 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.029 -3.625 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.420 -2.182 -14.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.636 -1.570 -13.379 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.949 -3.471 -14.775 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.960 -0.091 -14.754 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.525 0.446 -15.633 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.825 -2.784 -15.949 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.041 -1.067 -16.305 1.00 0.00 H new ATOM 226 N VAL A 16 -1.945 -1.227 -10.283 1.00 0.00 N ATOM 227 CA VAL A 16 -2.132 0.195 -10.172 1.00 0.00 C ATOM 228 C VAL A 16 -1.026 0.863 -10.924 1.00 0.00 C ATOM 229 O VAL A 16 0.063 0.301 -11.047 1.00 0.00 O ATOM 230 CB VAL A 16 -2.028 0.728 -8.720 1.00 0.00 C ATOM 231 CG1 VAL A 16 -2.964 1.877 -8.526 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.181 -0.342 -7.649 1.00 0.00 C ATOM 0 H VAL A 16 -1.022 -1.554 -9.998 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.131 0.406 -10.552 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.007 1.086 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.883 2.244 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.706 2.677 -9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.986 1.549 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.095 0.115 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.158 -0.816 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.400 -1.092 -7.770 1.00 0.00 H new ATOM 242 N GLU A 17 -1.273 2.038 -11.404 1.00 0.00 N ATOM 243 CA GLU A 17 -0.257 2.773 -12.077 1.00 0.00 C ATOM 244 C GLU A 17 -0.344 4.221 -11.704 1.00 0.00 C ATOM 245 O GLU A 17 -1.215 4.959 -12.182 1.00 0.00 O ATOM 246 CB GLU A 17 -0.310 2.548 -13.580 1.00 0.00 C ATOM 247 CG GLU A 17 0.827 3.190 -14.344 1.00 0.00 C ATOM 248 CD GLU A 17 0.894 2.704 -15.778 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.660 1.501 -16.029 1.00 0.00 O ATOM 250 OE2 GLU A 17 1.222 3.471 -16.681 1.00 0.00 O ATOM 0 H GLU A 17 -2.175 2.510 -11.341 1.00 0.00 H new ATOM 0 HA GLU A 17 0.718 2.408 -11.755 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.305 1.476 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.254 2.937 -13.961 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.705 4.273 -14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.770 2.971 -13.843 1.00 0.00 H new ATOM 257 N ILE A 18 0.525 4.607 -10.823 1.00 0.00 N ATOM 258 CA ILE A 18 0.575 5.963 -10.354 1.00 0.00 C ATOM 259 C ILE A 18 1.406 6.776 -11.285 1.00 0.00 C ATOM 260 O ILE A 18 2.558 6.444 -11.541 1.00 0.00 O ATOM 261 CB ILE A 18 1.093 6.114 -8.875 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.026 5.907 -7.838 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.783 7.454 -8.644 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.482 4.490 -7.617 1.00 0.00 C ATOM 0 H ILE A 18 1.223 3.992 -10.405 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.452 6.328 -10.339 1.00 0.00 H new ATOM 0 HB ILE A 18 1.829 5.323 -8.735 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.315 6.309 -6.884 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.888 6.499 -8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.124 7.514 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.638 7.543 -9.314 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.081 8.264 -8.842 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.271 4.475 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.863 4.080 -8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.358 3.887 -7.273 1.00 0.00 H new ATOM 276 N HIS A 19 0.811 7.798 -11.811 1.00 0.00 N ATOM 277 CA HIS A 19 1.481 8.676 -12.709 1.00 0.00 C ATOM 278 C HIS A 19 2.041 9.854 -11.942 1.00 0.00 C ATOM 279 O HIS A 19 1.433 10.301 -10.966 1.00 0.00 O ATOM 280 CB HIS A 19 0.530 9.178 -13.796 1.00 0.00 C ATOM 281 CG HIS A 19 -0.112 8.123 -14.635 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.227 6.842 -14.809 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -1.248 8.322 -15.390 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.690 6.234 -15.665 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -1.556 7.174 -15.982 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.161 8.047 -11.627 1.00 0.00 H new ATOM 0 HA HIS A 19 2.291 8.126 -13.188 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.255 9.767 -13.322 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.081 9.852 -14.452 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.793 9.250 -15.484 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.690 5.207 -15.998 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.356 7.038 -16.600 1.00 0.00 H new ATOM 293 N LYS A 20 3.185 10.324 -12.404 1.00 0.00 N ATOM 294 CA LYS A 20 3.942 11.466 -11.854 1.00 0.00 C ATOM 295 C LYS A 20 3.084 12.568 -11.218 1.00 0.00 C ATOM 296 O LYS A 20 2.310 13.262 -11.891 1.00 0.00 O ATOM 297 CB LYS A 20 4.872 12.079 -12.940 1.00 0.00 C ATOM 298 CG LYS A 20 4.198 12.743 -14.167 1.00 0.00 C ATOM 299 CD LYS A 20 3.464 11.767 -15.083 1.00 0.00 C ATOM 300 CE LYS A 20 2.844 12.500 -16.259 1.00 0.00 C ATOM 301 NZ LYS A 20 2.128 11.595 -17.177 1.00 0.00 N ATOM 0 H LYS A 20 3.646 9.908 -13.213 1.00 0.00 H new ATOM 0 HA LYS A 20 4.531 11.045 -11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.505 12.825 -12.459 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.530 11.290 -13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.492 13.496 -13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.959 13.266 -14.747 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.158 11.008 -15.445 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.688 11.247 -14.522 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.153 13.256 -15.887 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.626 13.025 -16.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.724 12.145 -17.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.791 10.888 -17.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.364 11.113 -16.663 1.00 0.00 H new ATOM 315 N LEU A 21 3.216 12.710 -9.926 1.00 0.00 N ATOM 316 CA LEU A 21 2.541 13.743 -9.205 1.00 0.00 C ATOM 317 C LEU A 21 3.543 14.623 -8.516 1.00 0.00 C ATOM 318 O LEU A 21 4.295 14.176 -7.642 1.00 0.00 O ATOM 319 CB LEU A 21 1.590 13.185 -8.171 1.00 0.00 C ATOM 320 CG LEU A 21 0.912 14.246 -7.286 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.057 15.096 -8.085 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.233 13.622 -6.095 1.00 0.00 C ATOM 0 H LEU A 21 3.799 12.107 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 21 1.962 14.316 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.818 12.608 -8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.136 12.492 -7.531 1.00 0.00 H new ATOM 0 HG LEU A 21 1.697 14.902 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.518 15.835 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.480 15.605 -8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.830 14.459 -8.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.235 14.401 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.529 12.921 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.970 13.092 -5.492 1.00 0.00 H new ATOM 334 N ARG A 22 3.552 15.847 -8.888 1.00 0.00 N ATOM 335 CA ARG A 22 4.432 16.790 -8.309 1.00 0.00 C ATOM 336 C ARG A 22 3.679 17.512 -7.229 1.00 0.00 C ATOM 337 O ARG A 22 2.667 18.157 -7.497 1.00 0.00 O ATOM 338 CB ARG A 22 4.968 17.822 -9.329 1.00 0.00 C ATOM 339 CG ARG A 22 5.760 17.277 -10.529 1.00 0.00 C ATOM 340 CD ARG A 22 4.859 16.601 -11.554 1.00 0.00 C ATOM 341 NE ARG A 22 5.581 16.183 -12.754 1.00 0.00 N ATOM 342 CZ ARG A 22 5.045 16.141 -13.980 1.00 0.00 C ATOM 343 NH1 ARG A 22 3.738 16.399 -14.153 1.00 0.00 N ATOM 344 NH2 ARG A 22 5.807 15.825 -15.029 1.00 0.00 N ATOM 0 H ARG A 22 2.942 16.228 -9.611 1.00 0.00 H new ATOM 0 HA ARG A 22 5.298 16.254 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.120 18.389 -9.713 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.606 18.526 -8.794 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.301 18.094 -11.006 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.505 16.564 -10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.387 15.731 -11.098 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.060 17.286 -11.837 1.00 0.00 H new ATOM 0 HE ARG A 22 6.557 15.905 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.153 16.627 -13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.331 16.367 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.796 15.616 -14.896 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.400 15.793 -15.964 1.00 0.00 H new ATOM 358 N GLN A 23 4.119 17.372 -6.024 1.00 0.00 N ATOM 359 CA GLN A 23 3.527 18.076 -4.936 1.00 0.00 C ATOM 360 C GLN A 23 4.508 19.097 -4.496 1.00 0.00 C ATOM 361 O GLN A 23 5.547 18.749 -3.937 1.00 0.00 O ATOM 362 CB GLN A 23 3.160 17.160 -3.771 1.00 0.00 C ATOM 363 CG GLN A 23 2.067 16.156 -4.081 1.00 0.00 C ATOM 364 CD GLN A 23 1.547 15.459 -2.837 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.060 14.256 -2.992 1.00 0.00 O flip ATOM 366 NE2 GLN A 23 1.564 16.010 -1.742 1.00 0.00 N flip ATOM 0 H GLN A 23 4.898 16.767 -5.765 1.00 0.00 H new ATOM 0 HA GLN A 23 2.592 18.529 -5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.053 16.620 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.843 17.774 -2.928 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.242 16.665 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.450 15.410 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.950 16.950 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.192 15.529 -0.923 1.00 0.00 H new ATOM 375 N GLY A 24 4.228 20.331 -4.803 1.00 0.00 N ATOM 376 CA GLY A 24 5.134 21.393 -4.484 1.00 0.00 C ATOM 377 C GLY A 24 6.415 21.279 -5.277 1.00 0.00 C ATOM 378 O GLY A 24 6.435 21.522 -6.489 1.00 0.00 O ATOM 0 H GLY A 24 3.374 20.626 -5.277 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.660 22.353 -4.691 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.361 21.373 -3.418 1.00 0.00 H new ATOM 382 N GLU A 25 7.468 20.857 -4.618 1.00 0.00 N ATOM 383 CA GLU A 25 8.753 20.713 -5.265 1.00 0.00 C ATOM 384 C GLU A 25 9.145 19.272 -5.433 1.00 0.00 C ATOM 385 O GLU A 25 10.175 18.971 -6.047 1.00 0.00 O ATOM 386 CB GLU A 25 9.839 21.413 -4.491 1.00 0.00 C ATOM 387 CG GLU A 25 9.724 22.905 -4.428 1.00 0.00 C ATOM 388 CD GLU A 25 10.877 23.489 -3.683 1.00 0.00 C ATOM 389 OE1 GLU A 25 12.032 23.311 -4.126 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.662 24.072 -2.608 1.00 0.00 O ATOM 0 H GLU A 25 7.461 20.606 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 25 8.645 21.170 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.845 21.023 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.801 21.158 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.691 23.316 -5.437 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.790 23.183 -3.940 1.00 0.00 H new ATOM 397 N ASN A 26 8.340 18.392 -4.926 1.00 0.00 N ATOM 398 CA ASN A 26 8.697 16.981 -4.878 1.00 0.00 C ATOM 399 C ASN A 26 7.833 16.217 -5.820 1.00 0.00 C ATOM 400 O ASN A 26 6.823 16.715 -6.296 1.00 0.00 O ATOM 401 CB ASN A 26 8.473 16.382 -3.470 1.00 0.00 C ATOM 402 CG ASN A 26 8.483 17.406 -2.375 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.510 17.730 -1.792 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.330 17.926 -2.095 1.00 0.00 N ATOM 0 H ASN A 26 7.424 18.612 -4.534 1.00 0.00 H new ATOM 0 HA ASN A 26 9.751 16.907 -5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.519 15.856 -3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.248 15.642 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.254 18.634 -1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.499 17.628 -2.605 1.00 0.00 H new ATOM 411 N LEU A 27 8.206 15.017 -6.050 1.00 0.00 N ATOM 412 CA LEU A 27 7.453 14.109 -6.842 1.00 0.00 C ATOM 413 C LEU A 27 7.067 13.028 -5.874 1.00 0.00 C ATOM 414 O LEU A 27 7.926 12.496 -5.193 1.00 0.00 O ATOM 415 CB LEU A 27 8.350 13.559 -7.990 1.00 0.00 C ATOM 416 CG LEU A 27 7.704 12.706 -9.120 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.116 11.391 -8.621 1.00 0.00 C ATOM 418 CD2 LEU A 27 6.666 13.506 -9.871 1.00 0.00 C ATOM 0 H LEU A 27 9.071 14.621 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 27 6.581 14.555 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.838 14.412 -8.462 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.134 12.956 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 27 8.512 12.442 -9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.682 10.845 -9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.903 10.790 -8.165 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.342 11.596 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.229 12.889 -10.656 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.884 13.825 -9.182 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.135 14.382 -10.318 1.00 0.00 H new ATOM 430 N ILE A 28 5.800 12.787 -5.720 1.00 0.00 N ATOM 431 CA ILE A 28 5.361 11.758 -4.828 1.00 0.00 C ATOM 432 C ILE A 28 4.319 10.954 -5.542 1.00 0.00 C ATOM 433 O ILE A 28 3.642 11.461 -6.429 1.00 0.00 O ATOM 434 CB ILE A 28 4.721 12.314 -3.513 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.183 13.760 -3.231 1.00 0.00 C ATOM 436 CG2 ILE A 28 5.100 11.405 -2.344 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.723 14.321 -1.913 1.00 0.00 C ATOM 0 H ILE A 28 5.053 13.289 -6.200 1.00 0.00 H new ATOM 0 HA ILE A 28 6.234 11.170 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 28 3.638 12.329 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.272 13.792 -3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.821 14.405 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.656 11.789 -1.426 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.730 10.397 -2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.185 11.380 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.095 15.340 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.634 14.327 -1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.107 13.704 -1.101 1.00 0.00 H new ATOM 449 N LEU A 29 4.154 9.730 -5.132 1.00 0.00 N ATOM 450 CA LEU A 29 3.159 8.853 -5.705 1.00 0.00 C ATOM 451 C LEU A 29 1.803 9.129 -5.072 1.00 0.00 C ATOM 452 O LEU A 29 0.798 8.476 -5.364 1.00 0.00 O ATOM 453 CB LEU A 29 3.563 7.390 -5.510 1.00 0.00 C ATOM 454 CG LEU A 29 4.652 6.806 -6.445 1.00 0.00 C ATOM 455 CD1 LEU A 29 5.963 7.591 -6.416 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.904 5.362 -6.082 1.00 0.00 C ATOM 0 H LEU A 29 4.706 9.304 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 29 3.089 9.044 -6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.907 7.273 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.667 6.779 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 29 4.272 6.884 -7.464 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.680 7.127 -7.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.779 8.618 -6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.366 7.588 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.670 4.950 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.242 5.301 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.982 4.792 -6.197 1.00 0.00 H new ATOM 468 N GLY A 30 1.791 10.090 -4.185 1.00 0.00 N ATOM 469 CA GLY A 30 0.587 10.518 -3.565 1.00 0.00 C ATOM 470 C GLY A 30 0.229 9.772 -2.289 1.00 0.00 C ATOM 471 O GLY A 30 -0.186 10.388 -1.317 1.00 0.00 O ATOM 0 H GLY A 30 2.624 10.592 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.669 11.581 -3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.231 10.407 -4.276 1.00 0.00 H new ATOM 475 N PHE A 31 0.371 8.467 -2.295 1.00 0.00 N ATOM 476 CA PHE A 31 -0.050 7.660 -1.159 1.00 0.00 C ATOM 477 C PHE A 31 1.083 7.438 -0.128 1.00 0.00 C ATOM 478 O PHE A 31 2.267 7.682 -0.421 1.00 0.00 O ATOM 479 CB PHE A 31 -0.621 6.327 -1.655 1.00 0.00 C ATOM 480 CG PHE A 31 0.389 5.408 -2.277 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.760 5.557 -3.600 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.967 4.400 -1.536 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.692 4.715 -4.169 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.892 3.553 -2.095 1.00 0.00 C ATOM 485 CZ PHE A 31 2.261 3.709 -3.414 1.00 0.00 C ATOM 0 H PHE A 31 0.773 7.937 -3.068 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.829 8.211 -0.633 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.092 5.814 -0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.405 6.531 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.315 6.341 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.688 4.274 -0.500 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.976 4.842 -5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.330 2.765 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.992 3.047 -3.855 1.00 0.00 H new ATOM 495 N SER A 32 0.702 6.994 1.059 1.00 0.00 N ATOM 496 CA SER A 32 1.606 6.692 2.145 1.00 0.00 C ATOM 497 C SER A 32 1.580 5.203 2.432 1.00 0.00 C ATOM 498 O SER A 32 0.826 4.453 1.809 1.00 0.00 O ATOM 499 CB SER A 32 1.140 7.395 3.392 1.00 0.00 C ATOM 500 OG SER A 32 -0.134 6.951 3.760 1.00 0.00 O ATOM 0 H SER A 32 -0.277 6.830 1.295 1.00 0.00 H new ATOM 0 HA SER A 32 2.609 7.014 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.844 7.212 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.121 8.472 3.224 1.00 0.00 H new ATOM 0 HG SER A 32 -0.054 6.283 4.472 1.00 0.00 H new ATOM 506 N ILE A 33 2.367 4.772 3.411 1.00 0.00 N ATOM 507 CA ILE A 33 2.402 3.378 3.786 1.00 0.00 C ATOM 508 C ILE A 33 2.441 3.253 5.289 1.00 0.00 C ATOM 509 O ILE A 33 2.724 4.225 5.986 1.00 0.00 O ATOM 510 CB ILE A 33 3.630 2.631 3.216 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.913 2.932 4.014 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.813 2.987 1.782 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.155 2.275 3.477 1.00 0.00 C ATOM 0 H ILE A 33 2.986 5.373 3.954 1.00 0.00 H new ATOM 0 HA ILE A 33 1.502 2.926 3.370 1.00 0.00 H new ATOM 0 HB ILE A 33 3.442 1.561 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.068 4.011 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.766 2.613 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.679 2.459 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.924 2.701 1.220 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.970 4.062 1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.007 2.543 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.026 1.193 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.333 2.612 2.456 1.00 0.00 H new ATOM 525 N GLY A 34 2.205 2.061 5.771 1.00 0.00 N ATOM 526 CA GLY A 34 2.241 1.824 7.193 1.00 0.00 C ATOM 527 C GLY A 34 3.419 0.990 7.565 1.00 0.00 C ATOM 528 O GLY A 34 3.921 1.051 8.676 1.00 0.00 O ATOM 0 H GLY A 34 1.987 1.242 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.282 2.776 7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.324 1.325 7.506 1.00 0.00 H new ATOM 532 N GLY A 35 3.911 0.254 6.611 1.00 0.00 N ATOM 533 CA GLY A 35 5.030 -0.592 6.854 1.00 0.00 C ATOM 534 C GLY A 35 4.772 -1.987 6.447 1.00 0.00 C ATOM 535 O GLY A 35 3.696 -2.282 6.016 1.00 0.00 O ATOM 0 H GLY A 35 3.550 0.227 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.896 -0.211 6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.280 -0.565 7.914 1.00 0.00 H new ATOM 539 N GLY A 36 5.820 -2.801 6.471 1.00 0.00 N ATOM 540 CA GLY A 36 5.687 -4.199 6.157 1.00 0.00 C ATOM 541 C GLY A 36 6.099 -5.097 7.297 1.00 0.00 C ATOM 542 O GLY A 36 5.547 -5.019 8.369 1.00 0.00 O ATOM 0 H GLY A 36 6.768 -2.507 6.706 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.651 -4.410 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.294 -4.429 5.282 1.00 0.00 H new ATOM 546 N ILE A 37 7.127 -5.899 7.073 1.00 0.00 N ATOM 547 CA ILE A 37 7.592 -6.899 8.067 1.00 0.00 C ATOM 548 C ILE A 37 8.138 -6.255 9.329 1.00 0.00 C ATOM 549 O ILE A 37 8.134 -6.848 10.394 1.00 0.00 O ATOM 550 CB ILE A 37 8.669 -7.871 7.507 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.049 -7.185 7.282 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.173 -8.508 6.228 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.083 -6.130 6.224 1.00 0.00 C ATOM 0 H ILE A 37 7.670 -5.889 6.210 1.00 0.00 H new ATOM 0 HA ILE A 37 6.696 -7.472 8.308 1.00 0.00 H new ATOM 0 HB ILE A 37 8.830 -8.642 8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.371 -6.740 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.779 -7.953 7.027 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.933 -9.188 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.257 -9.064 6.430 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.971 -7.732 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.090 -5.720 6.152 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.799 -6.566 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.385 -5.334 6.482 1.00 0.00 H new ATOM 565 N ASP A 38 8.606 -5.037 9.176 1.00 0.00 N ATOM 566 CA ASP A 38 9.174 -4.260 10.263 1.00 0.00 C ATOM 567 C ASP A 38 8.100 -3.852 11.277 1.00 0.00 C ATOM 568 O ASP A 38 8.402 -3.513 12.413 1.00 0.00 O ATOM 569 CB ASP A 38 9.859 -3.037 9.640 1.00 0.00 C ATOM 570 CG ASP A 38 10.342 -1.976 10.613 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.289 -2.219 11.377 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.844 -0.840 10.524 1.00 0.00 O ATOM 0 H ASP A 38 8.604 -4.548 8.281 1.00 0.00 H new ATOM 0 HA ASP A 38 9.900 -4.854 10.818 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.713 -3.382 9.056 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.163 -2.572 8.942 1.00 0.00 H new ATOM 577 N GLN A 39 6.847 -3.943 10.868 1.00 0.00 N ATOM 578 CA GLN A 39 5.725 -3.480 11.715 1.00 0.00 C ATOM 579 C GLN A 39 5.051 -4.645 12.462 1.00 0.00 C ATOM 580 O GLN A 39 5.247 -5.815 12.120 1.00 0.00 O ATOM 581 CB GLN A 39 4.672 -2.768 10.853 1.00 0.00 C ATOM 582 CG GLN A 39 5.255 -1.995 9.738 1.00 0.00 C ATOM 583 CD GLN A 39 6.304 -0.998 10.162 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.323 -0.913 9.366 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.243 -0.395 11.224 1.00 0.00 N flip ATOM 0 H GLN A 39 6.566 -4.327 9.966 1.00 0.00 H new ATOM 0 HA GLN A 39 6.140 -2.792 12.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.981 -3.509 10.450 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.088 -2.098 11.484 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.696 -2.688 9.021 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.455 -1.466 9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.420 -0.492 11.819 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.015 0.205 11.515 1.00 0.00 H new ATOM 594 N ASP A 40 4.281 -4.302 13.488 1.00 0.00 N ATOM 595 CA ASP A 40 3.480 -5.246 14.280 1.00 0.00 C ATOM 596 C ASP A 40 2.101 -5.392 13.737 1.00 0.00 C ATOM 597 O ASP A 40 1.285 -4.494 13.904 1.00 0.00 O ATOM 598 CB ASP A 40 3.383 -4.813 15.734 1.00 0.00 C ATOM 599 CG ASP A 40 4.529 -5.314 16.564 1.00 0.00 C ATOM 600 OD1 ASP A 40 5.556 -4.644 16.657 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.405 -6.396 17.153 1.00 0.00 O ATOM 0 H ASP A 40 4.190 -3.337 13.805 1.00 0.00 H new ATOM 0 HA ASP A 40 3.994 -6.205 14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.352 -3.725 15.784 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.447 -5.178 16.156 1.00 0.00 H new ATOM 606 N PRO A 41 1.775 -6.539 13.101 1.00 0.00 N ATOM 607 CA PRO A 41 0.435 -6.780 12.535 1.00 0.00 C ATOM 608 C PRO A 41 -0.607 -6.816 13.637 1.00 0.00 C ATOM 609 O PRO A 41 -1.792 -6.577 13.427 1.00 0.00 O ATOM 610 CB PRO A 41 0.562 -8.144 11.846 1.00 0.00 C ATOM 611 CG PRO A 41 1.747 -8.794 12.471 1.00 0.00 C ATOM 612 CD PRO A 41 2.678 -7.685 12.868 1.00 0.00 C ATOM 0 HA PRO A 41 0.117 -5.998 11.846 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.337 -8.743 11.992 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.698 -8.030 10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.453 -9.384 13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.231 -9.475 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.244 -7.938 13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.404 -7.471 12.083 1.00 0.00 H new ATOM 620 N SER A 42 -0.118 -7.063 14.818 1.00 0.00 N ATOM 621 CA SER A 42 -0.875 -7.074 16.013 1.00 0.00 C ATOM 622 C SER A 42 -1.447 -5.681 16.290 1.00 0.00 C ATOM 623 O SER A 42 -2.544 -5.540 16.813 1.00 0.00 O ATOM 624 CB SER A 42 0.085 -7.447 17.130 1.00 0.00 C ATOM 625 OG SER A 42 0.955 -8.493 16.705 1.00 0.00 O ATOM 0 H SER A 42 0.869 -7.271 14.969 1.00 0.00 H new ATOM 0 HA SER A 42 -1.705 -7.777 15.938 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.670 -6.575 17.423 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.475 -7.765 18.009 1.00 0.00 H new ATOM 0 HG SER A 42 1.830 -8.117 16.475 1.00 0.00 H new ATOM 631 N GLN A 43 -0.698 -4.647 15.887 1.00 0.00 N ATOM 632 CA GLN A 43 -1.024 -3.295 16.267 1.00 0.00 C ATOM 633 C GLN A 43 -1.224 -2.387 15.084 1.00 0.00 C ATOM 634 O GLN A 43 -1.407 -1.174 15.219 1.00 0.00 O ATOM 635 CB GLN A 43 0.066 -2.797 17.125 1.00 0.00 C ATOM 636 CG GLN A 43 0.207 -3.723 18.252 1.00 0.00 C ATOM 637 CD GLN A 43 1.349 -3.457 19.074 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.363 -3.989 18.619 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 1.314 -2.745 20.070 1.00 0.00 N flip ATOM 0 H GLN A 43 0.132 -4.735 15.300 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.974 -3.299 16.801 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.997 -2.735 16.562 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.158 -1.792 17.482 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.692 -3.673 18.867 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.275 -4.741 17.868 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.429 -2.343 20.379 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.170 -2.554 20.591 1.00 0.00 H new ATOM 648 N ASN A 44 -1.174 -2.974 13.934 1.00 0.00 N ATOM 649 CA ASN A 44 -1.270 -2.226 12.680 1.00 0.00 C ATOM 650 C ASN A 44 -2.649 -2.165 12.100 1.00 0.00 C ATOM 651 O ASN A 44 -3.363 -3.139 12.109 1.00 0.00 O ATOM 652 CB ASN A 44 -0.281 -2.716 11.656 1.00 0.00 C ATOM 653 CG ASN A 44 0.983 -1.883 11.689 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.113 -0.911 10.942 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.884 -2.217 12.540 1.00 0.00 N ATOM 0 H ASN A 44 -1.066 -3.981 13.815 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.014 -1.202 12.951 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.039 -3.761 11.849 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.726 -2.670 10.662 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.743 -1.671 12.614 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.741 -3.028 13.142 1.00 0.00 H new ATOM 662 N PRO A 45 -2.981 -1.024 11.473 1.00 0.00 N ATOM 663 CA PRO A 45 -4.338 -0.722 10.985 1.00 0.00 C ATOM 664 C PRO A 45 -4.791 -1.617 9.832 1.00 0.00 C ATOM 665 O PRO A 45 -5.942 -2.035 9.761 1.00 0.00 O ATOM 666 CB PRO A 45 -4.193 0.717 10.486 1.00 0.00 C ATOM 667 CG PRO A 45 -2.755 0.852 10.132 1.00 0.00 C ATOM 668 CD PRO A 45 -2.033 0.075 11.154 1.00 0.00 C ATOM 0 HA PRO A 45 -5.085 -0.878 11.763 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.832 0.903 9.623 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.480 1.434 11.256 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.558 0.467 9.132 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.444 1.897 10.138 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.085 -0.307 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.805 0.678 12.033 1.00 0.00 H new ATOM 676 N PHE A 46 -3.890 -1.895 8.923 1.00 0.00 N ATOM 677 CA PHE A 46 -4.231 -2.659 7.744 1.00 0.00 C ATOM 678 C PHE A 46 -3.406 -3.910 7.718 1.00 0.00 C ATOM 679 O PHE A 46 -3.198 -4.533 6.675 1.00 0.00 O ATOM 680 CB PHE A 46 -4.006 -1.806 6.488 1.00 0.00 C ATOM 681 CG PHE A 46 -4.648 -0.456 6.610 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.020 -0.304 6.501 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.877 0.656 6.876 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.600 0.936 6.657 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.453 1.893 7.028 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.807 2.034 6.923 1.00 0.00 C ATOM 0 H PHE A 46 -2.914 -1.605 8.975 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.284 -2.941 7.767 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.936 -1.686 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.411 -2.324 5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.640 -1.163 6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.806 0.552 6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.671 1.048 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.835 2.755 7.231 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.259 3.007 7.048 1.00 0.00 H new ATOM 696 N SER A 47 -2.923 -4.276 8.880 1.00 0.00 N ATOM 697 CA SER A 47 -2.168 -5.476 9.005 1.00 0.00 C ATOM 698 C SER A 47 -2.756 -6.303 10.128 1.00 0.00 C ATOM 699 O SER A 47 -2.237 -7.335 10.472 1.00 0.00 O ATOM 700 CB SER A 47 -0.729 -5.138 9.305 1.00 0.00 C ATOM 701 OG SER A 47 0.135 -6.231 9.023 1.00 0.00 O ATOM 0 H SER A 47 -3.045 -3.753 9.747 1.00 0.00 H new ATOM 0 HA SER A 47 -2.206 -6.044 8.075 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.427 -4.273 8.714 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.632 -4.858 10.354 1.00 0.00 H new ATOM 0 HG SER A 47 1.060 -5.978 9.227 1.00 0.00 H new ATOM 782 N LYS A 53 2.379 -9.749 6.659 1.00 0.00 N ATOM 783 CA LYS A 53 2.865 -8.415 6.577 1.00 0.00 C ATOM 784 C LYS A 53 3.280 -8.077 5.178 1.00 0.00 C ATOM 785 O LYS A 53 3.337 -8.938 4.295 1.00 0.00 O ATOM 786 CB LYS A 53 4.027 -8.243 7.521 1.00 0.00 C ATOM 787 CG LYS A 53 3.634 -8.369 8.972 1.00 0.00 C ATOM 788 CD LYS A 53 4.839 -8.354 9.875 1.00 0.00 C ATOM 789 CE LYS A 53 5.702 -9.601 9.703 1.00 0.00 C ATOM 790 NZ LYS A 53 4.967 -10.837 10.082 1.00 0.00 N ATOM 0 HA LYS A 53 2.062 -7.735 6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.788 -8.989 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.479 -7.265 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.966 -7.551 9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.079 -9.295 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.438 -7.468 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.513 -8.280 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.030 -9.676 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.599 -9.509 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.641 -11.620 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.462 -10.680 10.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.283 -11.077 9.336 1.00 0.00 H new ATOM 804 N GLY A 54 3.617 -6.857 5.003 1.00 0.00 N ATOM 805 CA GLY A 54 3.947 -6.328 3.718 1.00 0.00 C ATOM 806 C GLY A 54 3.570 -4.905 3.732 1.00 0.00 C ATOM 807 O GLY A 54 2.872 -4.523 4.605 1.00 0.00 O ATOM 0 H GLY A 54 3.675 -6.175 5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.012 -6.443 3.515 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.413 -6.861 2.932 1.00 0.00 H new ATOM 811 N ILE A 55 4.051 -4.129 2.828 1.00 0.00 N ATOM 812 CA ILE A 55 3.754 -2.717 2.804 1.00 0.00 C ATOM 813 C ILE A 55 2.319 -2.480 2.375 1.00 0.00 C ATOM 814 O ILE A 55 1.872 -3.014 1.375 1.00 0.00 O ATOM 815 CB ILE A 55 4.751 -1.965 1.879 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.177 -2.150 2.404 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.405 -0.487 1.784 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.439 -1.506 3.723 1.00 0.00 C ATOM 0 H ILE A 55 4.665 -4.443 2.076 1.00 0.00 H new ATOM 0 HA ILE A 55 3.870 -2.321 3.813 1.00 0.00 H new ATOM 0 HB ILE A 55 4.679 -2.385 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.384 -3.217 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.876 -1.746 1.671 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.120 0.013 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.400 -0.374 1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.447 -0.039 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.473 -1.688 4.018 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.267 -0.432 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.769 -1.926 4.473 1.00 0.00 H new ATOM 830 N TYR A 56 1.602 -1.733 3.166 1.00 0.00 N ATOM 831 CA TYR A 56 0.233 -1.386 2.885 1.00 0.00 C ATOM 832 C TYR A 56 0.066 0.097 2.970 1.00 0.00 C ATOM 833 O TYR A 56 0.810 0.771 3.702 1.00 0.00 O ATOM 834 CB TYR A 56 -0.743 -2.109 3.843 1.00 0.00 C ATOM 835 CG TYR A 56 -0.166 -2.261 5.219 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.116 -1.209 6.122 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.411 -3.445 5.570 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.492 -1.364 7.345 1.00 0.00 C ATOM 839 CE2 TYR A 56 1.033 -3.615 6.764 1.00 0.00 C ATOM 840 CZ TYR A 56 1.069 -2.571 7.662 1.00 0.00 C ATOM 841 OH TYR A 56 1.727 -2.715 8.848 1.00 0.00 O ATOM 0 H TYR A 56 1.956 -1.341 4.039 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.008 -1.715 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.677 -1.549 3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.985 -3.092 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.559 -0.259 5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.372 -4.273 4.877 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.516 -0.546 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.495 -4.560 7.008 1.00 0.00 H new ATOM 0 HH TYR A 56 1.819 -1.840 9.279 1.00 0.00 H new ATOM 851 N VAL A 57 -0.873 0.590 2.229 1.00 0.00 N ATOM 852 CA VAL A 57 -1.182 1.999 2.168 1.00 0.00 C ATOM 853 C VAL A 57 -2.020 2.405 3.356 1.00 0.00 C ATOM 854 O VAL A 57 -2.994 1.728 3.698 1.00 0.00 O ATOM 855 CB VAL A 57 -1.958 2.315 0.878 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.321 3.763 0.787 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.160 1.915 -0.316 1.00 0.00 C ATOM 0 H VAL A 57 -1.467 0.016 1.630 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.245 2.555 2.178 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.884 1.741 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.868 3.944 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.947 4.035 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.414 4.367 0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.721 2.144 -1.222 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.218 2.463 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.957 0.845 -0.276 1.00 0.00 H new ATOM 867 N THR A 58 -1.649 3.492 3.979 1.00 0.00 N ATOM 868 CA THR A 58 -2.360 3.993 5.108 1.00 0.00 C ATOM 869 C THR A 58 -3.170 5.235 4.731 1.00 0.00 C ATOM 870 O THR A 58 -4.155 5.578 5.384 1.00 0.00 O ATOM 871 CB THR A 58 -1.369 4.290 6.230 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.225 4.964 5.670 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.933 2.994 6.909 1.00 0.00 C ATOM 0 H THR A 58 -0.840 4.052 3.710 1.00 0.00 H new ATOM 0 HA THR A 58 -3.069 3.242 5.456 1.00 0.00 H new ATOM 0 HB THR A 58 -1.843 4.925 6.979 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.419 5.162 6.382 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.226 3.221 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.805 2.492 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.456 2.342 6.177 1.00 0.00 H new ATOM 881 N ARG A 59 -2.749 5.884 3.660 1.00 0.00 N ATOM 882 CA ARG A 59 -3.372 7.069 3.102 1.00 0.00 C ATOM 883 C ARG A 59 -3.020 7.128 1.653 1.00 0.00 C ATOM 884 O ARG A 59 -1.921 6.778 1.299 1.00 0.00 O ATOM 885 CB ARG A 59 -2.795 8.323 3.751 1.00 0.00 C ATOM 886 CG ARG A 59 -3.288 8.645 5.157 1.00 0.00 C ATOM 887 CD ARG A 59 -4.785 8.902 5.211 1.00 0.00 C ATOM 888 NE ARG A 59 -5.274 8.934 6.599 1.00 0.00 N ATOM 889 CZ ARG A 59 -6.494 9.335 6.980 1.00 0.00 C ATOM 890 NH1 ARG A 59 -7.314 9.909 6.115 1.00 0.00 N ATOM 891 NH2 ARG A 59 -6.878 9.187 8.239 1.00 0.00 N ATOM 0 H ARG A 59 -1.928 5.586 3.133 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.448 7.023 3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.710 8.223 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.017 9.174 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.042 7.817 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.760 9.522 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.011 9.850 4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.310 8.124 4.656 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.632 8.626 7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.019 10.049 5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.241 10.211 6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.245 8.767 8.919 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.807 9.493 8.528 1.00 0.00 H new ATOM 905 N VAL A 60 -3.923 7.503 0.802 1.00 0.00 N ATOM 906 CA VAL A 60 -3.618 7.693 -0.495 1.00 0.00 C ATOM 907 C VAL A 60 -3.599 9.164 -0.801 1.00 0.00 C ATOM 908 O VAL A 60 -3.744 10.006 0.092 1.00 0.00 O ATOM 909 CB VAL A 60 -4.606 6.996 -1.412 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.521 5.505 -1.316 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.031 7.480 -1.272 1.00 0.00 C ATOM 0 H VAL A 60 -4.899 7.677 1.040 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.633 7.262 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.296 7.282 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.248 5.055 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.518 5.179 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.734 5.193 -0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.671 6.931 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.373 7.315 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.078 8.544 -1.502 1.00 0.00 H new ATOM 921 N SER A 61 -3.389 9.467 -2.031 1.00 0.00 N ATOM 922 CA SER A 61 -3.467 10.791 -2.502 1.00 0.00 C ATOM 923 C SER A 61 -4.960 11.090 -2.582 1.00 0.00 C ATOM 924 O SER A 61 -5.659 10.435 -3.350 1.00 0.00 O ATOM 925 CB SER A 61 -2.837 10.815 -3.885 1.00 0.00 C ATOM 926 OG SER A 61 -2.361 12.088 -4.254 1.00 0.00 O ATOM 0 H SER A 61 -3.153 8.782 -2.749 1.00 0.00 H new ATOM 0 HA SER A 61 -2.957 11.521 -1.873 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.012 10.103 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.572 10.482 -4.618 1.00 0.00 H new ATOM 0 HG SER A 61 -3.063 12.756 -4.105 1.00 0.00 H new ATOM 932 N GLU A 62 -5.433 12.030 -1.763 1.00 0.00 N ATOM 933 CA GLU A 62 -6.868 12.356 -1.636 1.00 0.00 C ATOM 934 C GLU A 62 -7.519 12.677 -2.981 1.00 0.00 C ATOM 935 O GLU A 62 -8.712 12.440 -3.183 1.00 0.00 O ATOM 936 CB GLU A 62 -7.072 13.520 -0.658 1.00 0.00 C ATOM 937 CG GLU A 62 -6.359 14.803 -1.061 1.00 0.00 C ATOM 938 CD GLU A 62 -6.605 15.934 -0.114 1.00 0.00 C ATOM 939 OE1 GLU A 62 -7.579 16.693 -0.307 1.00 0.00 O ATOM 940 OE2 GLU A 62 -5.826 16.096 0.839 1.00 0.00 O ATOM 0 H GLU A 62 -4.833 12.595 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.359 11.465 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.139 13.723 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.722 13.217 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.287 14.613 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.686 15.095 -2.059 1.00 0.00 H new ATOM 947 N GLY A 63 -6.737 13.212 -3.871 1.00 0.00 N ATOM 948 CA GLY A 63 -7.193 13.536 -5.185 1.00 0.00 C ATOM 949 C GLY A 63 -6.039 13.478 -6.116 1.00 0.00 C ATOM 950 O GLY A 63 -5.797 14.405 -6.893 1.00 0.00 O ATOM 0 H GLY A 63 -5.757 13.437 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.968 12.837 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.638 14.531 -5.196 1.00 0.00 H new ATOM 954 N GLY A 64 -5.297 12.403 -6.018 1.00 0.00 N ATOM 955 CA GLY A 64 -4.103 12.258 -6.794 1.00 0.00 C ATOM 956 C GLY A 64 -4.047 10.949 -7.530 1.00 0.00 C ATOM 957 O GLY A 64 -5.025 10.200 -7.523 1.00 0.00 O ATOM 0 H GLY A 64 -5.505 11.615 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.038 13.077 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.236 12.339 -6.138 1.00 0.00 H new ATOM 961 N PRO A 65 -2.857 10.574 -8.048 1.00 0.00 N ATOM 962 CA PRO A 65 -2.694 9.428 -8.956 1.00 0.00 C ATOM 963 C PRO A 65 -3.019 8.121 -8.285 1.00 0.00 C ATOM 964 O PRO A 65 -3.436 7.180 -8.923 1.00 0.00 O ATOM 965 CB PRO A 65 -1.213 9.465 -9.317 1.00 0.00 C ATOM 966 CG PRO A 65 -0.565 10.183 -8.195 1.00 0.00 C ATOM 967 CD PRO A 65 -1.564 11.187 -7.718 1.00 0.00 C ATOM 0 HA PRO A 65 -3.363 9.496 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.808 8.459 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.050 9.981 -10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.292 9.494 -7.396 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.353 10.671 -8.522 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.469 11.370 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.437 12.147 -8.218 1.00 0.00 H new ATOM 975 N ALA A 66 -2.819 8.085 -6.985 1.00 0.00 N ATOM 976 CA ALA A 66 -3.100 6.918 -6.190 1.00 0.00 C ATOM 977 C ALA A 66 -4.557 6.505 -6.340 1.00 0.00 C ATOM 978 O ALA A 66 -4.843 5.430 -6.877 1.00 0.00 O ATOM 979 CB ALA A 66 -2.749 7.165 -4.736 1.00 0.00 C ATOM 0 H ALA A 66 -2.454 8.873 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.480 6.097 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.969 6.271 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.688 7.401 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.338 8.000 -4.356 1.00 0.00 H new ATOM 985 N GLU A 67 -5.469 7.378 -5.932 1.00 0.00 N ATOM 986 CA GLU A 67 -6.891 7.071 -6.016 1.00 0.00 C ATOM 987 C GLU A 67 -7.380 7.064 -7.478 1.00 0.00 C ATOM 988 O GLU A 67 -8.281 6.307 -7.831 1.00 0.00 O ATOM 989 CB GLU A 67 -7.710 8.022 -5.113 1.00 0.00 C ATOM 990 CG GLU A 67 -7.702 9.498 -5.514 1.00 0.00 C ATOM 991 CD GLU A 67 -8.877 9.897 -6.383 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.801 9.082 -6.575 1.00 0.00 O ATOM 993 OE2 GLU A 67 -8.938 11.060 -6.819 1.00 0.00 O ATOM 0 H GLU A 67 -5.253 8.296 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.050 6.061 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.743 7.676 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.331 7.940 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.703 10.111 -4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.776 9.716 -6.047 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.740 7.888 -8.320 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.068 7.967 -9.742 1.00 0.00 C ATOM 1002 C ILE A 68 -6.760 6.640 -10.462 1.00 0.00 C ATOM 1003 O ILE A 68 -7.511 6.194 -11.342 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.321 9.158 -10.432 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.875 10.517 -9.961 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.345 9.064 -11.960 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.347 10.744 -10.258 1.00 0.00 C ATOM 0 H ILE A 68 -5.986 8.512 -8.033 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.140 8.151 -9.819 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.278 9.085 -10.124 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.718 10.604 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.297 11.312 -10.433 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.813 9.915 -12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.862 8.139 -12.275 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.378 9.071 -12.309 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.645 11.726 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.513 10.694 -11.334 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.941 9.975 -9.763 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.671 6.024 -10.091 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.287 4.774 -10.684 1.00 0.00 C ATOM 1021 C ALA A 69 -6.085 3.629 -10.089 1.00 0.00 C ATOM 1022 O ALA A 69 -6.605 2.783 -10.817 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.816 4.541 -10.510 1.00 0.00 C ATOM 0 H ALA A 69 -5.031 6.371 -9.376 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.504 4.820 -11.751 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.542 3.589 -10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.261 5.346 -10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.574 4.518 -9.447 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.168 3.597 -8.781 1.00 0.00 N ATOM 1030 CA GLY A 70 -6.957 2.570 -8.127 1.00 0.00 C ATOM 1031 C GLY A 70 -6.374 2.093 -6.819 1.00 0.00 C ATOM 1032 O GLY A 70 -6.784 1.062 -6.302 1.00 0.00 O ATOM 0 H GLY A 70 -5.709 4.257 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.961 2.956 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.058 1.719 -8.801 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.424 2.826 -6.290 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.798 2.478 -5.031 1.00 0.00 C ATOM 1038 C LEU A 71 -5.593 3.038 -3.899 1.00 0.00 C ATOM 1039 O LEU A 71 -5.880 4.238 -3.873 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.338 2.967 -5.013 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.478 2.684 -3.779 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.746 1.272 -3.288 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.050 2.714 -4.221 1.00 0.00 C ATOM 0 H LEU A 71 -5.062 3.679 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.779 1.394 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.833 2.529 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.350 4.046 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.696 3.412 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.134 1.070 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.800 1.171 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.497 0.560 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.401 2.516 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.889 1.952 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.817 3.696 -4.634 1.00 0.00 H new ATOM 1055 N GLN A 72 -5.987 2.173 -2.999 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.787 2.540 -1.880 1.00 0.00 C ATOM 1057 C GLN A 72 -6.052 2.299 -0.588 1.00 0.00 C ATOM 1058 O GLN A 72 -5.064 1.567 -0.523 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.093 1.742 -1.862 1.00 0.00 C ATOM 1060 CG GLN A 72 -8.952 1.925 -3.087 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.452 3.338 -3.250 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -8.657 4.164 -3.853 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -10.532 3.691 -2.777 1.00 0.00 N flip ATOM 0 H GLN A 72 -5.752 1.181 -3.032 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.010 3.603 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.856 0.684 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.669 2.031 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.379 1.644 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.804 1.248 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.131 3.010 -2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.828 4.664 -2.853 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.509 2.970 0.405 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.044 2.787 1.751 1.00 0.00 C ATOM 1074 C ILE A 73 -6.416 1.376 2.217 1.00 0.00 C ATOM 1075 O ILE A 73 -7.588 0.994 2.157 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.709 3.812 2.692 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.394 5.241 2.254 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.274 3.585 4.116 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.978 6.295 3.165 1.00 0.00 C ATOM 0 H ILE A 73 -7.234 3.681 0.313 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.963 2.927 1.776 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.788 3.672 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.312 5.369 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.774 5.395 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.754 4.318 4.764 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.561 2.581 4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.192 3.691 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.714 7.285 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.063 6.194 3.190 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.579 6.168 4.171 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.441 0.624 2.667 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.699 -0.727 3.110 1.00 0.00 C ATOM 1093 C GLY A 74 -5.145 -1.752 2.160 1.00 0.00 C ATOM 1094 O GLY A 74 -5.049 -2.942 2.495 1.00 0.00 O ATOM 0 H GLY A 74 -4.468 0.921 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.260 -0.874 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.774 -0.874 3.214 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.783 -1.301 0.976 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.200 -2.170 -0.028 1.00 0.00 C ATOM 1100 C ASP A 75 -2.803 -2.565 0.363 1.00 0.00 C ATOM 1101 O ASP A 75 -1.950 -1.699 0.651 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.178 -1.522 -1.427 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.543 -1.390 -2.075 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.435 -2.173 -1.750 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.728 -0.517 -2.972 1.00 0.00 O ATOM 0 H ASP A 75 -4.883 -0.329 0.683 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.833 -3.055 -0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.728 -0.532 -1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.535 -2.114 -2.079 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.573 -3.863 0.428 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.258 -4.383 0.682 1.00 0.00 C ATOM 1112 C LYS A 76 -0.566 -4.484 -0.663 1.00 0.00 C ATOM 1113 O LYS A 76 -1.046 -5.198 -1.564 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.299 -5.787 1.326 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.045 -5.923 2.660 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.944 -7.374 3.151 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.829 -7.690 4.362 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.436 -7.000 5.610 1.00 0.00 N ATOM 0 H LYS A 76 -3.292 -4.576 0.306 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.737 -3.725 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.755 -6.473 0.612 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.272 -6.120 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.618 -5.246 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.090 -5.641 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.214 -8.042 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.906 -7.588 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.858 -7.422 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.812 -8.766 4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.694 -7.588 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.408 -6.840 5.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.929 -6.086 5.672 1.00 0.00 H new ATOM 1132 N ILE A 77 0.517 -3.788 -0.823 1.00 0.00 N ATOM 1133 CA ILE A 77 1.205 -3.780 -2.078 1.00 0.00 C ATOM 1134 C ILE A 77 2.147 -4.972 -2.122 1.00 0.00 C ATOM 1135 O ILE A 77 3.020 -5.113 -1.274 1.00 0.00 O ATOM 1136 CB ILE A 77 2.033 -2.483 -2.362 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.256 -1.167 -2.137 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.515 -2.518 -3.780 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.203 -0.703 -0.701 1.00 0.00 C ATOM 0 H ILE A 77 0.946 -3.215 -0.096 1.00 0.00 H new ATOM 0 HA ILE A 77 0.434 -3.825 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 77 2.855 -2.483 -1.646 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.713 -0.383 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.237 -1.296 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.094 -1.619 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.143 -3.396 -3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.660 -2.565 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.638 0.227 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.717 -1.464 -0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.216 -0.537 -0.335 1.00 0.00 H new ATOM 1151 N MET A 78 1.988 -5.809 -3.112 1.00 0.00 N ATOM 1152 CA MET A 78 2.772 -7.008 -3.217 1.00 0.00 C ATOM 1153 C MET A 78 3.875 -6.830 -4.235 1.00 0.00 C ATOM 1154 O MET A 78 4.826 -7.609 -4.277 1.00 0.00 O ATOM 1155 CB MET A 78 1.900 -8.207 -3.604 1.00 0.00 C ATOM 1156 CG MET A 78 0.769 -8.604 -2.631 1.00 0.00 C ATOM 1157 SD MET A 78 1.303 -9.267 -1.011 1.00 0.00 S ATOM 1158 CE MET A 78 1.640 -7.789 -0.052 1.00 0.00 C ATOM 0 H MET A 78 1.313 -5.679 -3.866 1.00 0.00 H new ATOM 0 HA MET A 78 3.213 -7.203 -2.240 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.451 -7.998 -4.575 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.552 -9.071 -3.733 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.144 -7.729 -2.455 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.142 -9.351 -3.119 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.415 -7.977 0.998 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.691 -7.520 -0.155 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.019 -6.970 -0.415 1.00 0.00 H new ATOM 1168 N GLN A 79 3.795 -5.780 -5.032 1.00 0.00 N ATOM 1169 CA GLN A 79 4.769 -5.565 -6.068 1.00 0.00 C ATOM 1170 C GLN A 79 4.732 -4.108 -6.526 1.00 0.00 C ATOM 1171 O GLN A 79 3.682 -3.559 -6.713 1.00 0.00 O ATOM 1172 CB GLN A 79 4.523 -6.608 -7.195 1.00 0.00 C ATOM 1173 CG GLN A 79 5.508 -6.630 -8.342 1.00 0.00 C ATOM 1174 CD GLN A 79 5.085 -5.764 -9.481 1.00 0.00 C ATOM 1175 OE1 GLN A 79 5.490 -4.542 -9.461 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 4.401 -6.212 -10.384 1.00 0.00 N flip ATOM 0 H GLN A 79 3.066 -5.069 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 79 5.786 -5.723 -5.708 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.510 -7.599 -6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.529 -6.433 -7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.484 -6.301 -7.984 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.626 -7.655 -8.694 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.101 -7.187 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.128 -5.612 -11.163 1.00 0.00 H new ATOM 1185 N VAL A 80 5.897 -3.483 -6.627 1.00 0.00 N ATOM 1186 CA VAL A 80 6.044 -2.088 -7.062 1.00 0.00 C ATOM 1187 C VAL A 80 7.122 -2.047 -8.103 1.00 0.00 C ATOM 1188 O VAL A 80 8.156 -2.613 -7.886 1.00 0.00 O ATOM 1189 CB VAL A 80 6.477 -1.168 -5.865 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.909 0.229 -6.318 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.369 -1.062 -4.855 1.00 0.00 C ATOM 0 H VAL A 80 6.786 -3.933 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 80 5.091 -1.729 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 80 7.346 -1.640 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.197 0.820 -5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.757 0.145 -6.997 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.080 0.718 -6.831 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.686 -0.421 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.485 -0.634 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.131 -2.054 -4.471 1.00 0.00 H new ATOM 1201 N ASN A 81 6.811 -1.501 -9.259 1.00 0.00 N ATOM 1202 CA ASN A 81 7.767 -1.257 -10.362 1.00 0.00 C ATOM 1203 C ASN A 81 8.610 -2.499 -10.687 1.00 0.00 C ATOM 1204 O ASN A 81 9.813 -2.442 -10.898 1.00 0.00 O ATOM 1205 CB ASN A 81 8.636 -0.041 -10.044 1.00 0.00 C ATOM 1206 CG ASN A 81 9.235 0.540 -11.294 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.430 1.266 -11.994 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.374 0.273 -11.663 1.00 0.00 N flip ATOM 0 H ASN A 81 5.862 -1.199 -9.482 1.00 0.00 H new ATOM 0 HA ASN A 81 7.194 -1.041 -11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.036 0.716 -9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.431 -0.329 -9.356 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.977 -0.305 -11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.718 0.629 -12.555 1.00 0.00 H new ATOM 1215 N GLY A 82 7.932 -3.610 -10.717 1.00 0.00 N ATOM 1216 CA GLY A 82 8.522 -4.911 -10.986 1.00 0.00 C ATOM 1217 C GLY A 82 9.546 -5.387 -9.944 1.00 0.00 C ATOM 1218 O GLY A 82 10.264 -6.353 -10.168 1.00 0.00 O ATOM 0 H GLY A 82 6.926 -3.648 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.723 -5.649 -11.052 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.007 -4.879 -11.962 1.00 0.00 H new ATOM 1222 N TRP A 83 9.601 -4.727 -8.821 1.00 0.00 N ATOM 1223 CA TRP A 83 10.647 -4.983 -7.831 1.00 0.00 C ATOM 1224 C TRP A 83 10.235 -5.935 -6.685 1.00 0.00 C ATOM 1225 O TRP A 83 11.112 -6.378 -5.932 1.00 0.00 O ATOM 1226 CB TRP A 83 11.181 -3.624 -7.296 1.00 0.00 C ATOM 1227 CG TRP A 83 10.830 -3.270 -5.857 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.621 -2.862 -5.382 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.715 -3.262 -4.729 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.692 -2.626 -4.040 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.960 -2.859 -3.616 1.00 0.00 C ATOM 1232 CE3 TRP A 83 13.069 -3.562 -4.544 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.495 -2.745 -2.356 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.605 -3.447 -3.275 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.814 -3.039 -2.192 1.00 0.00 C ATOM 0 H TRP A 83 8.936 -4.001 -8.554 1.00 0.00 H new ATOM 0 HA TRP A 83 11.444 -5.524 -8.341 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.267 -3.624 -7.391 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.804 -2.832 -7.943 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.731 -2.742 -5.983 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.917 -2.323 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.683 -3.877 -5.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.887 -2.431 -1.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.649 -3.675 -3.116 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.258 -2.957 -1.211 1.00 0.00 H new ATOM 1246 N ASP A 84 8.923 -6.291 -6.601 1.00 0.00 N ATOM 1247 CA ASP A 84 8.347 -7.088 -5.476 1.00 0.00 C ATOM 1248 C ASP A 84 8.275 -6.253 -4.211 1.00 0.00 C ATOM 1249 O ASP A 84 9.277 -5.761 -3.715 1.00 0.00 O ATOM 1250 CB ASP A 84 9.131 -8.370 -5.216 1.00 0.00 C ATOM 1251 CG ASP A 84 8.601 -9.220 -4.095 1.00 0.00 C ATOM 1252 OD1 ASP A 84 8.729 -8.832 -2.907 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.134 -10.329 -4.375 1.00 0.00 O ATOM 0 H ASP A 84 8.235 -6.035 -7.309 1.00 0.00 H new ATOM 0 HA ASP A 84 7.339 -7.376 -5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.141 -8.964 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.166 -8.107 -4.995 1.00 0.00 H new ATOM 1258 N MET A 85 7.096 -6.105 -3.695 1.00 0.00 N ATOM 1259 CA MET A 85 6.881 -5.268 -2.527 1.00 0.00 C ATOM 1260 C MET A 85 6.288 -6.104 -1.398 1.00 0.00 C ATOM 1261 O MET A 85 6.053 -5.616 -0.285 1.00 0.00 O ATOM 1262 CB MET A 85 5.891 -4.191 -2.900 1.00 0.00 C ATOM 1263 CG MET A 85 5.879 -2.991 -2.002 1.00 0.00 C ATOM 1264 SD MET A 85 7.389 -2.049 -2.168 1.00 0.00 S ATOM 1265 CE MET A 85 6.891 -0.562 -1.369 1.00 0.00 C ATOM 0 H MET A 85 6.253 -6.551 -4.058 1.00 0.00 H new ATOM 0 HA MET A 85 7.826 -4.835 -2.200 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.105 -3.861 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.892 -4.627 -2.910 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.024 -2.360 -2.245 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.757 -3.309 -0.967 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.732 0.130 -1.331 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.072 -0.107 -1.925 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.560 -0.787 -0.355 1.00 0.00 H new ATOM 1275 N THR A 86 6.072 -7.372 -1.687 1.00 0.00 N ATOM 1276 CA THR A 86 5.405 -8.269 -0.758 1.00 0.00 C ATOM 1277 C THR A 86 6.231 -8.532 0.518 1.00 0.00 C ATOM 1278 O THR A 86 5.689 -9.002 1.522 1.00 0.00 O ATOM 1279 CB THR A 86 4.921 -9.590 -1.455 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.249 -10.478 -0.544 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.054 -10.315 -2.112 1.00 0.00 C ATOM 0 H THR A 86 6.351 -7.809 -2.565 1.00 0.00 H new ATOM 0 HA THR A 86 4.506 -7.752 -0.423 1.00 0.00 H new ATOM 0 HB THR A 86 4.207 -9.279 -2.217 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.289 -10.281 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.680 -11.224 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.506 -9.674 -2.868 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.802 -10.576 -1.363 1.00 0.00 H new ATOM 1289 N MET A 87 7.517 -8.214 0.490 1.00 0.00 N ATOM 1290 CA MET A 87 8.342 -8.326 1.672 1.00 0.00 C ATOM 1291 C MET A 87 9.466 -7.291 1.637 1.00 0.00 C ATOM 1292 O MET A 87 10.511 -7.508 1.020 1.00 0.00 O ATOM 1293 CB MET A 87 8.894 -9.751 1.842 1.00 0.00 C ATOM 1294 CG MET A 87 9.612 -9.972 3.160 1.00 0.00 C ATOM 1295 SD MET A 87 10.159 -11.669 3.390 1.00 0.00 S ATOM 1296 CE MET A 87 10.823 -11.565 5.054 1.00 0.00 C ATOM 0 H MET A 87 8.006 -7.877 -0.339 1.00 0.00 H new ATOM 0 HA MET A 87 7.718 -8.121 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.072 -10.462 1.762 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.581 -9.965 1.023 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.475 -9.308 3.212 1.00 0.00 H new ATOM 0 HG3 MET A 87 8.948 -9.697 3.979 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.207 -12.540 5.354 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.631 -10.834 5.078 1.00 0.00 H new ATOM 0 HE3 MET A 87 10.035 -11.258 5.742 1.00 0.00 H new ATOM 1306 N VAL A 88 9.216 -6.151 2.258 1.00 0.00 N ATOM 1307 CA VAL A 88 10.158 -5.051 2.326 1.00 0.00 C ATOM 1308 C VAL A 88 9.833 -4.225 3.567 1.00 0.00 C ATOM 1309 O VAL A 88 8.667 -4.225 4.041 1.00 0.00 O ATOM 1310 CB VAL A 88 10.086 -4.160 1.040 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.699 -3.611 0.821 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.104 -3.035 1.096 1.00 0.00 C ATOM 0 H VAL A 88 8.336 -5.962 2.737 1.00 0.00 H new ATOM 0 HA VAL A 88 11.173 -5.444 2.387 1.00 0.00 H new ATOM 0 HB VAL A 88 10.328 -4.799 0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.688 -2.998 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.995 -4.435 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.409 -3.002 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.031 -2.433 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.906 -2.408 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.107 -3.455 1.173 1.00 0.00 H new ATOM 1322 N THR A 89 10.837 -3.617 4.147 1.00 0.00 N ATOM 1323 CA THR A 89 10.675 -2.793 5.295 1.00 0.00 C ATOM 1324 C THR A 89 10.009 -1.502 4.929 1.00 0.00 C ATOM 1325 O THR A 89 10.055 -1.076 3.775 1.00 0.00 O ATOM 1326 CB THR A 89 12.031 -2.492 5.956 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.000 -2.163 4.950 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.500 -3.658 6.792 1.00 0.00 C ATOM 0 H THR A 89 11.801 -3.688 3.822 1.00 0.00 H new ATOM 0 HA THR A 89 10.049 -3.337 6.002 1.00 0.00 H new ATOM 0 HB THR A 89 11.910 -1.638 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.811 -2.695 5.090 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.461 -3.417 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.769 -3.862 7.575 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.609 -4.539 6.159 1.00 0.00 H new ATOM 1336 N HIS A 90 9.373 -0.900 5.905 1.00 0.00 N ATOM 1337 CA HIS A 90 8.759 0.407 5.753 1.00 0.00 C ATOM 1338 C HIS A 90 9.782 1.400 5.222 1.00 0.00 C ATOM 1339 O HIS A 90 9.502 2.139 4.306 1.00 0.00 O ATOM 1340 CB HIS A 90 8.230 0.890 7.118 1.00 0.00 C ATOM 1341 CG HIS A 90 7.554 2.232 7.115 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.203 2.403 7.216 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.068 3.474 6.991 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.937 3.695 7.128 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.035 4.391 7.004 1.00 0.00 N ATOM 0 H HIS A 90 9.263 -1.302 6.836 1.00 0.00 H new ATOM 0 HA HIS A 90 7.931 0.334 5.047 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.526 0.149 7.497 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.064 0.925 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.117 3.712 6.897 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.944 4.118 7.155 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.114 5.405 6.931 1.00 0.00 H new ATOM 1353 N ASP A 91 10.963 1.352 5.782 1.00 0.00 N ATOM 1354 CA ASP A 91 12.026 2.293 5.464 1.00 0.00 C ATOM 1355 C ASP A 91 12.470 2.150 4.015 1.00 0.00 C ATOM 1356 O ASP A 91 12.617 3.146 3.300 1.00 0.00 O ATOM 1357 CB ASP A 91 13.207 2.074 6.396 1.00 0.00 C ATOM 1358 CG ASP A 91 14.109 3.282 6.478 1.00 0.00 C ATOM 1359 OD1 ASP A 91 13.858 4.153 7.329 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.072 3.393 5.694 1.00 0.00 O ATOM 0 H ASP A 91 11.225 0.655 6.479 1.00 0.00 H new ATOM 0 HA ASP A 91 11.640 3.303 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.839 1.831 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.784 1.216 6.051 1.00 0.00 H new ATOM 1365 N GLN A 92 12.631 0.907 3.567 1.00 0.00 N ATOM 1366 CA GLN A 92 13.051 0.652 2.190 1.00 0.00 C ATOM 1367 C GLN A 92 11.935 0.947 1.207 1.00 0.00 C ATOM 1368 O GLN A 92 12.168 1.449 0.114 1.00 0.00 O ATOM 1369 CB GLN A 92 13.609 -0.774 2.019 1.00 0.00 C ATOM 1370 CG GLN A 92 15.139 -0.832 2.021 1.00 0.00 C ATOM 1371 CD GLN A 92 15.801 -0.288 3.288 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.894 0.282 3.229 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.209 -0.512 4.432 1.00 0.00 N ATOM 0 H GLN A 92 12.479 0.069 4.129 1.00 0.00 H new ATOM 0 HA GLN A 92 13.867 1.339 1.965 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.228 -1.404 2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.238 -1.192 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.449 -1.868 1.882 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.511 -0.270 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.306 -0.985 4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.651 -0.214 5.302 1.00 0.00 H new ATOM 1382 N ALA A 93 10.729 0.669 1.622 1.00 0.00 N ATOM 1383 CA ALA A 93 9.550 0.940 0.834 1.00 0.00 C ATOM 1384 C ALA A 93 9.305 2.427 0.699 1.00 0.00 C ATOM 1385 O ALA A 93 8.967 2.908 -0.386 1.00 0.00 O ATOM 1386 CB ALA A 93 8.384 0.301 1.483 1.00 0.00 C ATOM 0 H ALA A 93 10.532 0.243 2.527 1.00 0.00 H new ATOM 0 HA ALA A 93 9.699 0.534 -0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.487 0.499 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.547 -0.775 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.258 0.707 2.487 1.00 0.00 H new ATOM 1392 N ARG A 94 9.466 3.164 1.801 1.00 0.00 N ATOM 1393 CA ARG A 94 9.321 4.621 1.792 1.00 0.00 C ATOM 1394 C ARG A 94 10.262 5.208 0.752 1.00 0.00 C ATOM 1395 O ARG A 94 9.881 6.036 -0.062 1.00 0.00 O ATOM 1396 CB ARG A 94 9.638 5.239 3.174 1.00 0.00 C ATOM 1397 CG ARG A 94 8.550 5.166 4.237 1.00 0.00 C ATOM 1398 CD ARG A 94 7.273 5.874 3.813 1.00 0.00 C ATOM 1399 NE ARG A 94 6.429 6.252 4.952 1.00 0.00 N ATOM 1400 CZ ARG A 94 5.416 7.138 4.913 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.169 7.822 3.799 1.00 0.00 N ATOM 1402 NH2 ARG A 94 4.685 7.367 5.999 1.00 0.00 N ATOM 0 H ARG A 94 9.698 2.773 2.714 1.00 0.00 H new ATOM 0 HA ARG A 94 8.285 4.856 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.528 4.747 3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.893 6.288 3.024 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.328 4.121 4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.919 5.611 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.530 6.768 3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.706 5.224 3.146 1.00 0.00 H new ATOM 0 HE ARG A 94 6.626 5.806 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.748 7.676 2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.401 8.493 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.891 6.871 6.866 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.918 8.039 5.965 1.00 0.00 H new ATOM 1416 N LYS A 95 11.417 4.618 0.687 1.00 0.00 N ATOM 1417 CA LYS A 95 12.508 5.035 -0.153 1.00 0.00 C ATOM 1418 C LYS A 95 12.294 4.513 -1.597 1.00 0.00 C ATOM 1419 O LYS A 95 13.222 4.445 -2.396 1.00 0.00 O ATOM 1420 CB LYS A 95 13.787 4.456 0.452 1.00 0.00 C ATOM 1421 CG LYS A 95 15.080 5.081 -0.012 1.00 0.00 C ATOM 1422 CD LYS A 95 16.252 4.388 0.646 1.00 0.00 C ATOM 1423 CE LYS A 95 17.562 5.085 0.344 1.00 0.00 C ATOM 1424 NZ LYS A 95 17.622 6.443 0.931 1.00 0.00 N ATOM 0 H LYS A 95 11.639 3.793 1.244 1.00 0.00 H new ATOM 0 HA LYS A 95 12.573 6.122 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.728 4.552 1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.821 3.390 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.163 5.004 -1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.089 6.143 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.097 4.358 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.303 3.355 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 95 18.387 4.487 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.696 5.152 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.608 6.774 0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.043 7.093 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.258 6.417 1.905 1.00 0.00 H new ATOM 1438 N ARG A 96 11.064 4.145 -1.902 1.00 0.00 N ATOM 1439 CA ARG A 96 10.667 3.704 -3.220 1.00 0.00 C ATOM 1440 C ARG A 96 9.341 4.263 -3.662 1.00 0.00 C ATOM 1441 O ARG A 96 9.172 4.581 -4.820 1.00 0.00 O ATOM 1442 CB ARG A 96 10.754 2.191 -3.428 1.00 0.00 C ATOM 1443 CG ARG A 96 12.106 1.752 -3.971 1.00 0.00 C ATOM 1444 CD ARG A 96 12.044 0.364 -4.554 1.00 0.00 C ATOM 1445 NE ARG A 96 13.296 -0.013 -5.222 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.496 -0.006 -6.553 1.00 0.00 C ATOM 1447 NH1 ARG A 96 12.584 0.524 -7.376 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.631 -0.475 -7.043 1.00 0.00 N ATOM 0 H ARG A 96 10.300 4.145 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 96 11.420 4.133 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.566 1.686 -2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.970 1.877 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.437 2.454 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.846 1.779 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.827 -0.352 -3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.222 0.308 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 96 14.075 -0.303 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 96 11.728 0.928 -6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 96 12.745 0.524 -8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.347 -0.838 -6.414 1.00 0.00 H new ATOM 0 HH22 ARG A 96 14.791 -0.473 -8.050 1.00 0.00 H new ATOM 1462 N LEU A 97 8.406 4.393 -2.764 1.00 0.00 N ATOM 1463 CA LEU A 97 7.121 4.961 -3.148 1.00 0.00 C ATOM 1464 C LEU A 97 6.926 6.406 -2.747 1.00 0.00 C ATOM 1465 O LEU A 97 6.089 7.101 -3.293 1.00 0.00 O ATOM 1466 CB LEU A 97 6.004 4.094 -2.662 1.00 0.00 C ATOM 1467 CG LEU A 97 6.160 3.527 -1.275 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.015 4.587 -0.188 1.00 0.00 C ATOM 1469 CD2 LEU A 97 5.193 2.439 -1.090 1.00 0.00 C ATOM 0 H LEU A 97 8.492 4.125 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 97 7.113 4.979 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.081 4.673 -2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.884 3.265 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 97 7.173 3.137 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.136 4.123 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.778 5.354 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.027 5.043 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.300 2.024 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.182 2.826 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.378 1.658 -1.828 1.00 0.00 H new ATOM 1481 N THR A 98 7.632 6.849 -1.766 1.00 0.00 N ATOM 1482 CA THR A 98 7.516 8.238 -1.428 1.00 0.00 C ATOM 1483 C THR A 98 8.807 8.972 -1.753 1.00 0.00 C ATOM 1484 O THR A 98 9.023 10.128 -1.342 1.00 0.00 O ATOM 1485 CB THR A 98 6.994 8.486 0.022 1.00 0.00 C ATOM 1486 OG1 THR A 98 6.680 9.866 0.222 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.984 8.052 1.064 1.00 0.00 C ATOM 0 H THR A 98 8.276 6.299 -1.197 1.00 0.00 H new ATOM 0 HA THR A 98 6.735 8.666 -2.056 1.00 0.00 H new ATOM 0 HB THR A 98 6.093 7.883 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.323 10.422 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.576 8.245 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.184 6.986 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.912 8.610 0.939 1.00 0.00 H new ATOM 1495 N LYS A 99 9.672 8.282 -2.495 1.00 0.00 N ATOM 1496 CA LYS A 99 10.836 8.911 -3.077 1.00 0.00 C ATOM 1497 C LYS A 99 10.368 9.867 -4.202 1.00 0.00 C ATOM 1498 O LYS A 99 9.192 9.885 -4.545 1.00 0.00 O ATOM 1499 CB LYS A 99 11.784 7.877 -3.674 1.00 0.00 C ATOM 1500 CG LYS A 99 11.158 7.058 -4.783 1.00 0.00 C ATOM 1501 CD LYS A 99 12.189 6.521 -5.762 1.00 0.00 C ATOM 1502 CE LYS A 99 13.288 5.726 -5.092 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.177 5.100 -6.081 1.00 0.00 N ATOM 0 H LYS A 99 9.581 7.287 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 99 11.367 9.453 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.667 8.385 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.123 7.207 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.606 6.225 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.436 7.672 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.689 5.890 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 99 12.632 7.355 -6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.868 6.381 -4.442 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.848 4.956 -4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.692 4.313 -5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.612 4.739 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.857 5.805 -6.432 1.00 0.00 H new ATOM 1517 N ARG A 100 11.286 10.587 -4.819 1.00 0.00 N ATOM 1518 CA ARG A 100 10.893 11.581 -5.819 1.00 0.00 C ATOM 1519 C ARG A 100 11.486 11.296 -7.188 1.00 0.00 C ATOM 1520 O ARG A 100 11.272 12.043 -8.136 1.00 0.00 O ATOM 1521 CB ARG A 100 11.313 12.983 -5.387 1.00 0.00 C ATOM 1522 CG ARG A 100 12.815 13.124 -5.134 1.00 0.00 C ATOM 1523 CD ARG A 100 13.262 14.553 -5.326 1.00 0.00 C ATOM 1524 NE ARG A 100 13.031 14.973 -6.722 1.00 0.00 N ATOM 1525 CZ ARG A 100 12.287 16.022 -7.098 1.00 0.00 C ATOM 1526 NH1 ARG A 100 11.852 16.882 -6.185 1.00 0.00 N ATOM 1527 NH2 ARG A 100 12.018 16.227 -8.385 1.00 0.00 N ATOM 0 H ARG A 100 12.290 10.511 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 100 9.807 11.521 -5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.015 13.695 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.774 13.251 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.049 12.799 -4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.365 12.472 -5.813 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.717 15.207 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.320 14.648 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 100 13.472 14.422 -7.458 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.084 16.743 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.285 17.682 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.379 15.584 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.451 17.027 -8.666 1.00 0.00 H new ATOM 1541 N SER A 101 12.234 10.253 -7.284 1.00 0.00 N ATOM 1542 CA SER A 101 12.910 9.939 -8.517 1.00 0.00 C ATOM 1543 C SER A 101 12.026 9.201 -9.519 1.00 0.00 C ATOM 1544 O SER A 101 12.103 9.441 -10.725 1.00 0.00 O ATOM 1545 CB SER A 101 14.112 9.115 -8.193 1.00 0.00 C ATOM 1546 OG SER A 101 14.988 9.823 -7.339 1.00 0.00 O ATOM 0 H SER A 101 12.401 9.592 -6.525 1.00 0.00 H new ATOM 0 HA SER A 101 13.189 10.878 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.803 8.185 -7.716 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.632 8.844 -9.112 1.00 0.00 H new ATOM 0 HG SER A 101 15.769 9.266 -7.137 1.00 0.00 H new ATOM 1552 N GLU A 102 11.189 8.335 -9.025 1.00 0.00 N ATOM 1553 CA GLU A 102 10.388 7.487 -9.885 1.00 0.00 C ATOM 1554 C GLU A 102 9.031 8.102 -10.117 1.00 0.00 C ATOM 1555 O GLU A 102 8.250 8.285 -9.205 1.00 0.00 O ATOM 1556 CB GLU A 102 10.347 6.048 -9.336 1.00 0.00 C ATOM 1557 CG GLU A 102 11.743 5.413 -9.332 1.00 0.00 C ATOM 1558 CD GLU A 102 11.834 4.019 -8.739 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.470 3.048 -9.419 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.398 3.870 -7.619 1.00 0.00 O ATOM 0 H GLU A 102 11.037 8.191 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 102 10.850 7.414 -10.869 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.945 6.054 -8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.672 5.444 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.107 5.375 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.417 6.067 -8.779 1.00 0.00 H new ATOM 1567 N GLU A 103 8.803 8.444 -11.362 1.00 0.00 N ATOM 1568 CA GLU A 103 7.634 9.175 -11.797 1.00 0.00 C ATOM 1569 C GLU A 103 6.361 8.328 -11.845 1.00 0.00 C ATOM 1570 O GLU A 103 5.432 8.551 -11.091 1.00 0.00 O ATOM 1571 CB GLU A 103 7.897 9.941 -13.133 1.00 0.00 C ATOM 1572 CG GLU A 103 8.557 9.160 -14.274 1.00 0.00 C ATOM 1573 CD GLU A 103 9.985 8.798 -14.016 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.866 9.663 -14.153 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.234 7.647 -13.603 1.00 0.00 O ATOM 0 H GLU A 103 9.443 8.216 -12.123 1.00 0.00 H new ATOM 0 HA GLU A 103 7.444 9.923 -11.027 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.943 10.325 -13.495 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.524 10.804 -12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.988 8.248 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.502 9.754 -15.186 1.00 0.00 H new ATOM 1582 N VAL A 104 6.318 7.401 -12.746 1.00 0.00 N ATOM 1583 CA VAL A 104 5.226 6.519 -12.885 1.00 0.00 C ATOM 1584 C VAL A 104 5.682 5.095 -12.731 1.00 0.00 C ATOM 1585 O VAL A 104 6.635 4.642 -13.406 1.00 0.00 O ATOM 1586 CB VAL A 104 4.425 6.759 -14.202 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.302 6.901 -15.395 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.409 5.672 -14.449 1.00 0.00 C ATOM 0 H VAL A 104 7.067 7.239 -13.420 1.00 0.00 H new ATOM 0 HA VAL A 104 4.521 6.729 -12.081 1.00 0.00 H new ATOM 0 HB VAL A 104 3.904 7.705 -14.054 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.688 7.066 -16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.972 7.749 -15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.889 5.992 -15.525 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.874 5.878 -15.376 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.917 4.711 -14.529 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.701 5.640 -13.621 1.00 0.00 H new ATOM 1598 N VAL A 105 5.043 4.410 -11.826 1.00 0.00 N ATOM 1599 CA VAL A 105 5.399 3.068 -11.461 1.00 0.00 C ATOM 1600 C VAL A 105 4.169 2.162 -11.448 1.00 0.00 C ATOM 1601 O VAL A 105 3.049 2.608 -11.152 1.00 0.00 O ATOM 1602 CB VAL A 105 6.074 3.032 -10.062 1.00 0.00 C ATOM 1603 CG1 VAL A 105 7.425 3.742 -10.080 1.00 0.00 C ATOM 1604 CG2 VAL A 105 5.180 3.694 -9.047 1.00 0.00 C ATOM 0 H VAL A 105 4.243 4.777 -11.310 1.00 0.00 H new ATOM 0 HA VAL A 105 6.105 2.705 -12.208 1.00 0.00 H new ATOM 0 HB VAL A 105 6.235 1.988 -9.794 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.872 3.699 -9.087 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.084 3.251 -10.796 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.285 4.783 -10.371 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.658 3.666 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.006 4.730 -9.336 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.228 3.165 -9.001 1.00 0.00 H new ATOM 1614 N ARG A 106 4.380 0.920 -11.793 1.00 0.00 N ATOM 1615 CA ARG A 106 3.336 -0.078 -11.809 1.00 0.00 C ATOM 1616 C ARG A 106 3.358 -0.903 -10.552 1.00 0.00 C ATOM 1617 O ARG A 106 4.341 -1.555 -10.230 1.00 0.00 O ATOM 1618 CB ARG A 106 3.462 -0.894 -13.079 1.00 0.00 C ATOM 1619 CG ARG A 106 3.132 -0.001 -14.241 1.00 0.00 C ATOM 1620 CD ARG A 106 3.521 -0.505 -15.600 1.00 0.00 C ATOM 1621 NE ARG A 106 3.071 0.496 -16.570 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.797 1.085 -17.513 1.00 0.00 C ATOM 1623 NH1 ARG A 106 4.991 0.622 -17.841 1.00 0.00 N ATOM 1624 NH2 ARG A 106 3.309 2.162 -18.122 1.00 0.00 N ATOM 0 H ARG A 106 5.294 0.565 -12.075 1.00 0.00 H new ATOM 0 HA ARG A 106 2.355 0.396 -11.819 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.473 -1.290 -13.178 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.786 -1.748 -13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.057 0.180 -14.238 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.618 0.961 -14.081 1.00 0.00 H new ATOM 0 HD2 ARG A 106 4.600 -0.648 -15.665 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.059 -1.472 -15.800 1.00 0.00 H new ATOM 0 HE ARG A 106 2.090 0.771 -16.515 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.367 -0.199 -17.367 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.536 1.086 -18.568 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.391 2.523 -17.862 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.853 2.627 -18.849 1.00 0.00 H new ATOM 1638 N LEU A 107 2.307 -0.807 -9.816 1.00 0.00 N ATOM 1639 CA LEU A 107 2.193 -1.445 -8.541 1.00 0.00 C ATOM 1640 C LEU A 107 1.142 -2.525 -8.625 1.00 0.00 C ATOM 1641 O LEU A 107 0.233 -2.438 -9.428 1.00 0.00 O ATOM 1642 CB LEU A 107 1.706 -0.426 -7.524 1.00 0.00 C ATOM 1643 CG LEU A 107 2.291 0.981 -7.602 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.681 1.844 -6.542 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.775 0.971 -7.457 1.00 0.00 C ATOM 0 H LEU A 107 1.481 -0.272 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 107 3.160 -1.859 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.623 -0.346 -7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.910 -0.820 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 107 2.056 1.386 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.103 2.847 -6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.602 1.894 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.893 1.420 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.153 1.991 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.043 0.542 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.215 0.373 -8.255 1.00 0.00 H new ATOM 1657 N LEU A 108 1.270 -3.520 -7.821 1.00 0.00 N ATOM 1658 CA LEU A 108 0.291 -4.561 -7.717 1.00 0.00 C ATOM 1659 C LEU A 108 -0.131 -4.729 -6.297 1.00 0.00 C ATOM 1660 O LEU A 108 0.715 -4.917 -5.408 1.00 0.00 O ATOM 1661 CB LEU A 108 0.819 -5.869 -8.246 1.00 0.00 C ATOM 1662 CG LEU A 108 0.318 -6.271 -9.617 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.868 -5.359 -10.692 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.659 -7.709 -9.904 1.00 0.00 C ATOM 0 H LEU A 108 2.071 -3.642 -7.202 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.568 -4.270 -8.322 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.907 -5.814 -8.278 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.560 -6.657 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.767 -6.169 -9.622 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.490 -5.674 -11.665 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.554 -4.334 -10.495 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.957 -5.412 -10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.291 -7.980 -10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.741 -7.840 -9.871 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.193 -8.350 -9.156 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.413 -4.662 -6.067 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.936 -4.793 -4.722 1.00 0.00 C ATOM 1678 C VAL A 109 -2.916 -5.944 -4.644 1.00 0.00 C ATOM 1679 O VAL A 109 -3.567 -6.286 -5.647 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.603 -3.483 -4.193 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.647 -2.310 -4.243 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.874 -3.156 -4.935 1.00 0.00 C ATOM 0 H VAL A 109 -2.120 -4.518 -6.788 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.081 -4.995 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.863 -3.668 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.147 -1.417 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.775 -2.525 -3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.330 -2.142 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.303 -2.238 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.653 -3.021 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.586 -3.972 -4.814 1.00 0.00 H new ATOM 1692 N THR A 110 -2.997 -6.565 -3.501 1.00 0.00 N ATOM 1693 CA THR A 110 -3.941 -7.618 -3.297 1.00 0.00 C ATOM 1694 C THR A 110 -4.869 -7.216 -2.184 1.00 0.00 C ATOM 1695 O THR A 110 -4.434 -6.731 -1.121 1.00 0.00 O ATOM 1696 CB THR A 110 -3.275 -8.982 -2.973 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.420 -8.864 -1.834 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.474 -9.504 -4.150 1.00 0.00 C ATOM 0 H THR A 110 -2.413 -6.355 -2.692 1.00 0.00 H new ATOM 0 HA THR A 110 -4.487 -7.763 -4.229 1.00 0.00 H new ATOM 0 HB THR A 110 -4.075 -9.690 -2.757 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.009 -9.733 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.022 -10.460 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.133 -9.638 -5.008 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.690 -8.790 -4.402 1.00 0.00 H new