USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 523 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 39 THR OG1 : rot 180:sc= 0.288 USER MOD Set 1.2: A 69 THR OG1 : rot 134:sc= 0.299 USER MOD Set 2.1: A 14 THR OG1 : rot -147:sc= 0.879 USER MOD Set 2.2: A 17 SER OG : rot -114:sc= 0.686 USER MOD Single : A 16 THR OG1 : rot -51:sc= 0.285 USER MOD Single : A 21 SER OG : rot 76:sc= 0.692 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 36 TYR OH : rot 12:sc= 0.0173 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -41:sc= 0.543 USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.179) USER MOD Single : A 68 TYR OH : rot 130:sc= -0.436 USER MOD Single : A 71 THR OG1 : rot -25:sc= -0.161 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 89 SER OG : rot 180:sc= -1.98! USER MOD Single : A 91 ASN : amide:sc= -1.19! K(o=-1.2!,f=-0.31) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.929 3.456 -5.082 1.00 0.00 N ATOM 109 CA LEU A 8 8.193 2.260 -5.587 1.00 0.00 C ATOM 110 C LEU A 8 9.083 1.014 -5.653 1.00 0.00 C ATOM 111 O LEU A 8 9.995 0.945 -6.453 1.00 0.00 O ATOM 112 CB LEU A 8 7.688 2.568 -7.012 1.00 0.00 C ATOM 113 CG LEU A 8 6.825 1.400 -7.514 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.575 1.955 -8.199 1.00 0.00 C ATOM 115 CD2 LEU A 8 7.616 0.579 -8.529 1.00 0.00 C ATOM 0 HA LEU A 8 7.374 2.054 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.106 3.490 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.533 2.724 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 8 6.543 0.771 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.959 1.130 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.004 2.551 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.869 2.580 -9.042 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.003 -0.249 -8.884 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.894 1.212 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.517 0.187 -8.057 1.00 0.00 H new ATOM 127 N GLU A 9 8.776 0.044 -4.810 1.00 0.00 N ATOM 128 CA GLU A 9 9.581 -1.223 -4.790 1.00 0.00 C ATOM 129 C GLU A 9 9.023 -2.200 -3.753 1.00 0.00 C ATOM 130 O GLU A 9 8.250 -1.823 -2.901 1.00 0.00 O ATOM 131 CB GLU A 9 11.036 -0.888 -4.389 1.00 0.00 C ATOM 132 CG GLU A 9 11.100 -0.661 -2.874 1.00 0.00 C ATOM 133 CD GLU A 9 12.344 0.165 -2.538 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.530 1.160 -3.213 1.00 0.00 O ATOM 135 OE2 GLU A 9 13.037 -0.251 -1.624 1.00 0.00 O ATOM 0 H GLU A 9 8.007 0.078 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 9 9.538 -1.676 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.702 -1.702 -4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.376 0.003 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.203 -0.143 -2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.133 -1.618 -2.352 1.00 0.00 H new ATOM 142 N VAL A 10 9.412 -3.447 -3.854 1.00 0.00 N ATOM 143 CA VAL A 10 8.909 -4.444 -2.872 1.00 0.00 C ATOM 144 C VAL A 10 9.647 -4.239 -1.562 1.00 0.00 C ATOM 145 O VAL A 10 10.857 -4.123 -1.562 1.00 0.00 O ATOM 146 CB VAL A 10 9.210 -5.855 -3.403 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.713 -6.893 -2.392 1.00 0.00 C ATOM 148 CG2 VAL A 10 8.483 -6.059 -4.733 1.00 0.00 C ATOM 0 H VAL A 10 10.047 -3.810 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 10 7.836 -4.326 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 10 10.284 -5.970 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.925 -7.895 -2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.222 -6.746 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.638 -6.778 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.694 -7.059 -5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.409 -5.947 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.827 -5.317 -5.453 1.00 0.00 H new ATOM 158 N VAL A 11 8.924 -4.202 -0.463 1.00 0.00 N ATOM 159 CA VAL A 11 9.620 -3.995 0.846 1.00 0.00 C ATOM 160 C VAL A 11 9.718 -5.274 1.657 1.00 0.00 C ATOM 161 O VAL A 11 10.581 -5.402 2.502 1.00 0.00 O ATOM 162 CB VAL A 11 8.840 -2.941 1.645 1.00 0.00 C ATOM 163 CG1 VAL A 11 7.491 -3.508 2.058 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.633 -2.566 2.894 1.00 0.00 C ATOM 0 H VAL A 11 7.910 -4.303 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 11 10.639 -3.665 0.644 1.00 0.00 H new ATOM 0 HB VAL A 11 8.688 -2.057 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.939 -2.758 2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.923 -3.781 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.642 -4.392 2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.082 -1.818 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.783 -3.453 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.601 -2.159 2.602 1.00 0.00 H new ATOM 174 N ALA A 12 8.849 -6.202 1.392 1.00 0.00 N ATOM 175 CA ALA A 12 8.898 -7.482 2.159 1.00 0.00 C ATOM 176 C ALA A 12 7.626 -8.295 1.972 1.00 0.00 C ATOM 177 O ALA A 12 6.681 -7.850 1.350 1.00 0.00 O ATOM 178 CB ALA A 12 9.048 -7.161 3.661 1.00 0.00 C ATOM 0 H ALA A 12 8.114 -6.137 0.688 1.00 0.00 H new ATOM 0 HA ALA A 12 9.743 -8.063 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.085 -8.090 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.968 -6.600 3.823 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.197 -6.566 3.993 1.00 0.00 H new ATOM 184 N ALA A 13 7.630 -9.483 2.523 1.00 0.00 N ATOM 185 CA ALA A 13 6.441 -10.356 2.400 1.00 0.00 C ATOM 186 C ALA A 13 6.208 -11.134 3.689 1.00 0.00 C ATOM 187 O ALA A 13 7.135 -11.407 4.428 1.00 0.00 O ATOM 188 CB ALA A 13 6.681 -11.357 1.259 1.00 0.00 C ATOM 0 H ALA A 13 8.408 -9.879 3.051 1.00 0.00 H new ATOM 0 HA ALA A 13 5.567 -9.736 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.812 -12.007 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.840 -10.815 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.561 -11.960 1.483 1.00 0.00 H new ATOM 194 N THR A 14 4.970 -11.473 3.927 1.00 0.00 N ATOM 195 CA THR A 14 4.618 -12.234 5.154 1.00 0.00 C ATOM 196 C THR A 14 4.050 -13.598 4.757 1.00 0.00 C ATOM 197 O THR A 14 3.671 -13.795 3.620 1.00 0.00 O ATOM 198 CB THR A 14 3.537 -11.430 5.895 1.00 0.00 C ATOM 199 OG1 THR A 14 3.121 -10.441 4.973 1.00 0.00 O ATOM 200 CG2 THR A 14 4.146 -10.629 7.060 1.00 0.00 C ATOM 0 H THR A 14 4.183 -11.252 3.317 1.00 0.00 H new ATOM 0 HA THR A 14 5.494 -12.384 5.785 1.00 0.00 H new ATOM 0 HB THR A 14 2.760 -12.102 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.873 -9.626 5.457 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.360 -10.070 7.567 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.617 -11.314 7.765 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.893 -9.936 6.674 1.00 0.00 H new ATOM 208 N PRO A 15 3.997 -14.530 5.694 1.00 0.00 N ATOM 209 CA PRO A 15 3.471 -15.847 5.394 1.00 0.00 C ATOM 210 C PRO A 15 2.159 -15.735 4.626 1.00 0.00 C ATOM 211 O PRO A 15 1.133 -15.427 5.187 1.00 0.00 O ATOM 212 CB PRO A 15 3.254 -16.510 6.772 1.00 0.00 C ATOM 213 CG PRO A 15 3.934 -15.585 7.834 1.00 0.00 C ATOM 214 CD PRO A 15 4.412 -14.322 7.091 1.00 0.00 C ATOM 0 HA PRO A 15 4.144 -16.430 4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.191 -16.623 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.691 -17.508 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.231 -15.324 8.625 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.773 -16.094 8.308 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.960 -13.422 7.508 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.493 -14.202 7.169 1.00 0.00 H new ATOM 222 N THR A 16 2.245 -15.966 3.341 1.00 0.00 N ATOM 223 CA THR A 16 1.035 -15.889 2.468 1.00 0.00 C ATOM 224 C THR A 16 0.564 -14.447 2.331 1.00 0.00 C ATOM 225 O THR A 16 -0.616 -14.176 2.300 1.00 0.00 O ATOM 226 CB THR A 16 -0.116 -16.744 3.059 1.00 0.00 C ATOM 227 OG1 THR A 16 -0.785 -15.904 3.975 1.00 0.00 O ATOM 228 CG2 THR A 16 0.413 -17.918 3.914 1.00 0.00 C ATOM 0 H THR A 16 3.109 -16.207 2.855 1.00 0.00 H new ATOM 0 HA THR A 16 1.306 -16.275 1.485 1.00 0.00 H new ATOM 0 HB THR A 16 -0.724 -17.130 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.134 -15.508 4.591 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.428 -18.489 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.035 -18.566 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.005 -17.527 4.742 1.00 0.00 H new ATOM 236 N SER A 17 1.507 -13.543 2.248 1.00 0.00 N ATOM 237 CA SER A 17 1.142 -12.107 2.112 1.00 0.00 C ATOM 238 C SER A 17 2.295 -11.324 1.492 1.00 0.00 C ATOM 239 O SER A 17 3.444 -11.631 1.727 1.00 0.00 O ATOM 240 CB SER A 17 0.850 -11.539 3.507 1.00 0.00 C ATOM 241 OG SER A 17 1.339 -10.207 3.446 1.00 0.00 O ATOM 0 H SER A 17 2.508 -13.739 2.269 1.00 0.00 H new ATOM 0 HA SER A 17 0.266 -12.019 1.470 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.216 -11.563 3.732 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.353 -12.113 4.285 1.00 0.00 H new ATOM 0 HG SER A 17 2.101 -10.110 4.054 1.00 0.00 H new ATOM 247 N LEU A 18 1.960 -10.324 0.705 1.00 0.00 N ATOM 248 CA LEU A 18 3.034 -9.500 0.052 1.00 0.00 C ATOM 249 C LEU A 18 2.900 -8.013 0.389 1.00 0.00 C ATOM 250 O LEU A 18 1.879 -7.401 0.136 1.00 0.00 O ATOM 251 CB LEU A 18 2.891 -9.669 -1.474 1.00 0.00 C ATOM 252 CG LEU A 18 4.065 -8.974 -2.201 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.382 -9.712 -1.906 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.800 -9.015 -3.707 1.00 0.00 C ATOM 0 H LEU A 18 1.003 -10.045 0.489 1.00 0.00 H new ATOM 0 HA LEU A 18 4.004 -9.840 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.872 -10.728 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.944 -9.243 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 18 4.147 -7.944 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.202 -9.214 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.571 -9.703 -0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.307 -10.743 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.620 -8.528 -4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.723 -10.052 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.868 -8.495 -3.927 1.00 0.00 H new ATOM 266 N LEU A 19 3.948 -7.460 0.959 1.00 0.00 N ATOM 267 CA LEU A 19 3.918 -6.016 1.322 1.00 0.00 C ATOM 268 C LEU A 19 4.589 -5.205 0.208 1.00 0.00 C ATOM 269 O LEU A 19 5.756 -5.422 -0.109 1.00 0.00 O ATOM 270 CB LEU A 19 4.697 -5.820 2.636 1.00 0.00 C ATOM 271 CG LEU A 19 3.732 -5.368 3.733 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.445 -5.423 5.088 1.00 0.00 C ATOM 273 CD2 LEU A 19 3.293 -3.927 3.458 1.00 0.00 C ATOM 0 H LEU A 19 4.815 -7.948 1.185 1.00 0.00 H new ATOM 0 HA LEU A 19 2.888 -5.681 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.185 -6.751 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.483 -5.078 2.499 1.00 0.00 H new ATOM 0 HG LEU A 19 2.861 -6.024 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.760 -5.101 5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.771 -6.444 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.312 -4.763 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.605 -3.601 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.167 -3.276 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.794 -3.877 2.490 1.00 0.00 H new ATOM 285 N ILE A 20 3.847 -4.278 -0.362 1.00 0.00 N ATOM 286 CA ILE A 20 4.424 -3.448 -1.463 1.00 0.00 C ATOM 287 C ILE A 20 4.347 -1.944 -1.204 1.00 0.00 C ATOM 288 O ILE A 20 3.472 -1.458 -0.513 1.00 0.00 O ATOM 289 CB ILE A 20 3.616 -3.754 -2.721 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.158 -3.355 -2.510 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.676 -5.269 -2.980 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.810 -2.207 -3.458 1.00 0.00 C ATOM 0 H ILE A 20 2.881 -4.066 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 20 5.481 -3.698 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 20 4.027 -3.199 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.504 -4.207 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.998 -3.050 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.104 -5.508 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.713 -5.573 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.254 -5.801 -2.127 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.769 -1.917 -3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.457 -1.355 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.956 -2.530 -4.489 1.00 0.00 H new ATOM 304 N SER A 21 5.291 -1.249 -1.788 1.00 0.00 N ATOM 305 CA SER A 21 5.360 0.226 -1.644 1.00 0.00 C ATOM 306 C SER A 21 5.321 0.841 -3.038 1.00 0.00 C ATOM 307 O SER A 21 6.053 0.402 -3.905 1.00 0.00 O ATOM 308 CB SER A 21 6.694 0.569 -0.958 1.00 0.00 C ATOM 309 OG SER A 21 7.457 -0.616 -1.078 1.00 0.00 O ATOM 0 H SER A 21 6.026 -1.654 -2.367 1.00 0.00 H new ATOM 0 HA SER A 21 4.529 0.610 -1.052 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.187 1.412 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.546 0.844 0.086 1.00 0.00 H new ATOM 0 HG SER A 21 7.785 -0.702 -1.998 1.00 0.00 H new ATOM 315 N TRP A 22 4.472 1.846 -3.250 1.00 0.00 N ATOM 316 CA TRP A 22 4.418 2.460 -4.632 1.00 0.00 C ATOM 317 C TRP A 22 4.756 3.948 -4.709 1.00 0.00 C ATOM 318 O TRP A 22 5.139 4.580 -3.746 1.00 0.00 O ATOM 319 CB TRP A 22 3.015 2.284 -5.194 1.00 0.00 C ATOM 320 CG TRP A 22 2.047 3.213 -4.470 1.00 0.00 C ATOM 321 CD1 TRP A 22 1.769 4.437 -4.876 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.326 2.883 -3.424 1.00 0.00 C ATOM 323 NE1 TRP A 22 0.815 4.842 -4.028 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.477 3.912 -3.066 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.331 1.714 -2.692 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.365 3.772 -1.984 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.486 1.575 -1.607 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.360 2.604 -1.255 1.00 0.00 C ATOM 0 H TRP A 22 3.842 2.249 -2.556 1.00 0.00 H new ATOM 0 HA TRP A 22 5.186 1.937 -5.202 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.012 2.501 -6.262 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.695 1.249 -5.078 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.207 4.983 -5.698 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.375 5.760 -4.088 1.00 0.00 H new ATOM 0 HE3 TRP A 22 1.995 0.908 -2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.029 4.578 -1.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.489 0.659 -1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -1.020 2.494 -0.407 1.00 0.00 H new ATOM 415 N VAL A 29 -2.775 13.936 -5.178 1.00 0.00 N ATOM 416 CA VAL A 29 -3.477 12.747 -5.723 1.00 0.00 C ATOM 417 C VAL A 29 -4.813 12.516 -5.047 1.00 0.00 C ATOM 418 O VAL A 29 -4.871 12.199 -3.875 1.00 0.00 O ATOM 419 CB VAL A 29 -2.605 11.500 -5.491 1.00 0.00 C ATOM 420 CG1 VAL A 29 -2.554 10.695 -6.785 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.177 11.913 -5.095 1.00 0.00 C ATOM 0 HA VAL A 29 -3.650 12.925 -6.784 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.034 10.903 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.939 9.807 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.563 10.395 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.123 11.307 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.572 11.021 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.737 12.511 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.209 12.500 -4.177 1.00 0.00 H new ATOM 431 N ARG A 30 -5.873 12.678 -5.792 1.00 0.00 N ATOM 432 CA ARG A 30 -7.202 12.462 -5.192 1.00 0.00 C ATOM 433 C ARG A 30 -7.223 11.077 -4.578 1.00 0.00 C ATOM 434 O ARG A 30 -7.422 10.919 -3.390 1.00 0.00 O ATOM 435 CB ARG A 30 -8.261 12.548 -6.306 1.00 0.00 C ATOM 436 CG ARG A 30 -9.447 13.401 -5.828 1.00 0.00 C ATOM 437 CD ARG A 30 -10.376 13.682 -7.013 1.00 0.00 C ATOM 438 NE ARG A 30 -11.369 14.717 -6.620 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.879 14.694 -5.421 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.280 15.354 -4.470 1.00 0.00 N ATOM 441 NH2 ARG A 30 -12.975 14.014 -5.213 1.00 0.00 N ATOM 0 H ARG A 30 -5.869 12.947 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.412 13.211 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.824 12.986 -7.204 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.604 11.548 -6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.991 12.880 -5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.088 14.338 -5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.797 14.023 -7.871 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.886 12.768 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.649 15.439 -7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.427 15.876 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.664 15.348 -3.525 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.418 13.512 -5.983 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.388 13.985 -4.281 1.00 0.00 H new ATOM 455 N TYR A 31 -7.018 10.088 -5.408 1.00 0.00 N ATOM 456 CA TYR A 31 -7.014 8.695 -4.891 1.00 0.00 C ATOM 457 C TYR A 31 -6.175 7.786 -5.777 1.00 0.00 C ATOM 458 O TYR A 31 -5.884 8.105 -6.915 1.00 0.00 O ATOM 459 CB TYR A 31 -8.449 8.136 -4.829 1.00 0.00 C ATOM 460 CG TYR A 31 -9.354 8.844 -5.834 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.312 8.512 -7.173 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.263 9.787 -5.408 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.170 9.115 -8.070 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.122 10.389 -6.302 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.082 10.058 -7.642 1.00 0.00 C ATOM 466 OH TYR A 31 -11.944 10.659 -8.539 1.00 0.00 O ATOM 0 H TYR A 31 -6.855 10.186 -6.410 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.584 8.720 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.436 7.066 -5.036 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.849 8.261 -3.823 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.603 7.775 -7.521 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.303 10.057 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -10.127 8.847 -9.115 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.831 11.125 -5.952 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.518 11.296 -8.065 1.00 0.00 H new ATOM 476 N TYR A 32 -5.802 6.668 -5.225 1.00 0.00 N ATOM 477 CA TYR A 32 -4.978 5.694 -5.983 1.00 0.00 C ATOM 478 C TYR A 32 -5.807 4.480 -6.357 1.00 0.00 C ATOM 479 O TYR A 32 -6.867 4.258 -5.809 1.00 0.00 O ATOM 480 CB TYR A 32 -3.857 5.201 -5.053 1.00 0.00 C ATOM 481 CG TYR A 32 -2.552 5.944 -5.318 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.311 7.153 -4.712 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.563 5.378 -6.097 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.101 7.787 -4.873 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.354 6.014 -6.257 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.115 7.223 -5.643 1.00 0.00 C ATOM 487 OH TYR A 32 1.100 7.845 -5.779 1.00 0.00 O ATOM 0 H TYR A 32 -6.035 6.386 -4.273 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.592 6.175 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.154 5.343 -4.014 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.705 4.131 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.078 7.610 -4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.740 4.430 -6.584 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.925 8.737 -4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.413 5.562 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 32 1.680 7.307 -6.358 1.00 0.00 H new ATOM 497 N ARG A 33 -5.309 3.716 -7.279 1.00 0.00 N ATOM 498 CA ARG A 33 -6.051 2.505 -7.701 1.00 0.00 C ATOM 499 C ARG A 33 -5.064 1.426 -8.085 1.00 0.00 C ATOM 500 O ARG A 33 -4.585 1.380 -9.200 1.00 0.00 O ATOM 501 CB ARG A 33 -6.928 2.853 -8.904 1.00 0.00 C ATOM 502 CG ARG A 33 -7.654 1.597 -9.400 1.00 0.00 C ATOM 503 CD ARG A 33 -8.628 1.998 -10.508 1.00 0.00 C ATOM 504 NE ARG A 33 -9.534 0.856 -10.804 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.313 0.914 -11.850 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.802 0.693 -13.030 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.575 1.197 -11.681 1.00 0.00 N ATOM 0 H ARG A 33 -4.423 3.876 -7.758 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.678 2.147 -6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.654 3.618 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.315 3.269 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.935 0.868 -9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.191 1.122 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.209 2.867 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.079 2.283 -11.405 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.546 0.037 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.809 0.479 -13.124 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.395 0.734 -13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.938 1.369 -10.743 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.199 1.247 -12.486 1.00 0.00 H new ATOM 521 N ILE A 34 -4.773 0.574 -7.146 1.00 0.00 N ATOM 522 CA ILE A 34 -3.815 -0.514 -7.426 1.00 0.00 C ATOM 523 C ILE A 34 -4.518 -1.763 -7.924 1.00 0.00 C ATOM 524 O ILE A 34 -5.528 -2.174 -7.388 1.00 0.00 O ATOM 525 CB ILE A 34 -3.074 -0.850 -6.133 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.116 0.283 -5.786 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.259 -2.136 -6.358 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.008 0.408 -4.264 1.00 0.00 C ATOM 0 H ILE A 34 -5.158 0.588 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.127 -0.178 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.789 -0.986 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.134 0.089 -6.217 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.472 1.220 -6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.723 -2.391 -5.444 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.932 -2.951 -6.624 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.544 -1.977 -7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.323 1.218 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.992 0.622 -3.846 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.632 -0.527 -3.848 1.00 0.00 H new ATOM 540 N THR A 35 -3.962 -2.340 -8.950 1.00 0.00 N ATOM 541 CA THR A 35 -4.556 -3.565 -9.520 1.00 0.00 C ATOM 542 C THR A 35 -3.466 -4.546 -9.872 1.00 0.00 C ATOM 543 O THR A 35 -2.436 -4.161 -10.401 1.00 0.00 O ATOM 544 CB THR A 35 -5.306 -3.190 -10.801 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.342 -3.267 -11.830 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.726 -1.715 -10.777 1.00 0.00 C ATOM 0 H THR A 35 -3.117 -2.009 -9.417 1.00 0.00 H new ATOM 0 HA THR A 35 -5.231 -4.016 -8.793 1.00 0.00 H new ATOM 0 HB THR A 35 -6.178 -3.833 -10.921 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.759 -3.038 -12.687 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.257 -1.473 -11.698 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.380 -1.537 -9.923 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.840 -1.086 -10.693 1.00 0.00 H new ATOM 554 N TYR A 36 -3.691 -5.797 -9.561 1.00 0.00 N ATOM 555 CA TYR A 36 -2.664 -6.810 -9.879 1.00 0.00 C ATOM 556 C TYR A 36 -3.301 -8.065 -10.433 1.00 0.00 C ATOM 557 O TYR A 36 -4.484 -8.292 -10.262 1.00 0.00 O ATOM 558 CB TYR A 36 -1.886 -7.153 -8.591 1.00 0.00 C ATOM 559 CG TYR A 36 -2.846 -7.241 -7.402 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.455 -6.107 -6.900 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.115 -8.459 -6.811 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.317 -6.191 -5.830 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.977 -8.542 -5.738 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.584 -7.409 -5.239 1.00 0.00 C ATOM 565 OH TYR A 36 -5.443 -7.490 -4.160 1.00 0.00 O ATOM 0 H TYR A 36 -4.533 -6.149 -9.106 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.989 -6.406 -10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.362 -8.100 -8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.129 -6.392 -8.401 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.253 -5.147 -7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.646 -9.354 -7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.788 -5.296 -5.450 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.178 -9.502 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.921 -6.641 -4.058 1.00 0.00 H new ATOM 575 N GLY A 37 -2.507 -8.853 -11.112 1.00 0.00 N ATOM 576 CA GLY A 37 -3.047 -10.113 -11.696 1.00 0.00 C ATOM 577 C GLY A 37 -1.922 -10.928 -12.340 1.00 0.00 C ATOM 578 O GLY A 37 -1.080 -10.390 -13.034 1.00 0.00 O ATOM 0 H GLY A 37 -1.517 -8.679 -11.285 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.533 -10.703 -10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.808 -9.879 -12.441 1.00 0.00 H new ATOM 582 N GLU A 38 -1.929 -12.210 -12.089 1.00 0.00 N ATOM 583 CA GLU A 38 -0.879 -13.071 -12.673 1.00 0.00 C ATOM 584 C GLU A 38 -1.146 -13.321 -14.151 1.00 0.00 C ATOM 585 O GLU A 38 -2.060 -14.040 -14.506 1.00 0.00 O ATOM 586 CB GLU A 38 -0.897 -14.420 -11.940 1.00 0.00 C ATOM 587 CG GLU A 38 -2.249 -14.602 -11.246 1.00 0.00 C ATOM 588 CD GLU A 38 -2.399 -16.060 -10.808 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.918 -16.351 -9.725 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.985 -16.799 -11.581 1.00 0.00 O ATOM 0 H GLU A 38 -2.616 -12.690 -11.507 1.00 0.00 H new ATOM 0 HA GLU A 38 0.086 -12.576 -12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.726 -15.233 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.091 -14.459 -11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.319 -13.941 -10.382 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.058 -14.328 -11.923 1.00 0.00 H new ATOM 597 N THR A 39 -0.347 -12.720 -14.987 1.00 0.00 N ATOM 598 CA THR A 39 -0.542 -12.913 -16.443 1.00 0.00 C ATOM 599 C THR A 39 -0.668 -14.391 -16.779 1.00 0.00 C ATOM 600 O THR A 39 0.319 -15.092 -16.892 1.00 0.00 O ATOM 601 CB THR A 39 0.678 -12.345 -17.170 1.00 0.00 C ATOM 602 OG1 THR A 39 0.652 -10.956 -16.912 1.00 0.00 O ATOM 603 CG2 THR A 39 0.509 -12.460 -18.691 1.00 0.00 C ATOM 0 H THR A 39 0.426 -12.109 -14.724 1.00 0.00 H new ATOM 0 HA THR A 39 -1.456 -12.405 -16.752 1.00 0.00 H new ATOM 0 HB THR A 39 1.578 -12.867 -16.846 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.415 -10.527 -17.352 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.389 -12.050 -19.187 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.393 -13.508 -18.966 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.375 -11.904 -19.002 1.00 0.00 H new ATOM 664 N VAL A 45 -6.417 -10.492 -10.845 1.00 0.00 N ATOM 665 CA VAL A 45 -6.641 -11.046 -9.484 1.00 0.00 C ATOM 666 C VAL A 45 -7.624 -10.180 -8.726 1.00 0.00 C ATOM 667 O VAL A 45 -8.684 -10.628 -8.333 1.00 0.00 O ATOM 668 CB VAL A 45 -5.298 -11.055 -8.720 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.565 -11.038 -7.212 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.517 -12.317 -9.074 1.00 0.00 C ATOM 0 HA VAL A 45 -7.040 -12.057 -9.570 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.720 -10.174 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.617 -11.044 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.124 -10.139 -6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.145 -11.918 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.570 -12.322 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.099 -13.195 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.324 -12.336 -10.147 1.00 0.00 H new ATOM 680 N GLN A 46 -7.251 -8.955 -8.531 1.00 0.00 N ATOM 681 CA GLN A 46 -8.146 -8.021 -7.795 1.00 0.00 C ATOM 682 C GLN A 46 -7.586 -6.604 -7.818 1.00 0.00 C ATOM 683 O GLN A 46 -6.640 -6.318 -8.525 1.00 0.00 O ATOM 684 CB GLN A 46 -8.254 -8.482 -6.328 1.00 0.00 C ATOM 685 CG GLN A 46 -9.704 -8.332 -5.863 1.00 0.00 C ATOM 686 CD GLN A 46 -9.755 -8.393 -4.336 1.00 0.00 C ATOM 687 OE1 GLN A 46 -8.859 -8.904 -3.693 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.785 -7.883 -3.717 1.00 0.00 N ATOM 0 H GLN A 46 -6.367 -8.555 -8.847 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.124 -8.025 -8.276 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -7.935 -9.520 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.593 -7.888 -5.697 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.114 -7.385 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.319 -9.124 -6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.540 -7.453 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.835 -7.915 -2.699 1.00 0.00 H new ATOM 697 N GLU A 47 -8.181 -5.744 -7.042 1.00 0.00 N ATOM 698 CA GLU A 47 -7.699 -4.345 -7.003 1.00 0.00 C ATOM 699 C GLU A 47 -8.340 -3.586 -5.843 1.00 0.00 C ATOM 700 O GLU A 47 -9.175 -4.117 -5.139 1.00 0.00 O ATOM 701 CB GLU A 47 -8.114 -3.658 -8.318 1.00 0.00 C ATOM 702 CG GLU A 47 -9.598 -3.932 -8.588 1.00 0.00 C ATOM 703 CD GLU A 47 -9.731 -5.206 -9.423 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.193 -5.196 -10.518 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.364 -6.119 -8.919 1.00 0.00 O ATOM 0 H GLU A 47 -8.976 -5.951 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.617 -4.343 -6.875 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.937 -2.584 -8.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.508 -4.031 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.137 -4.042 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.046 -3.089 -9.115 1.00 0.00 H new ATOM 712 N PHE A 48 -7.938 -2.361 -5.665 1.00 0.00 N ATOM 713 CA PHE A 48 -8.516 -1.558 -4.558 1.00 0.00 C ATOM 714 C PHE A 48 -7.977 -0.143 -4.597 1.00 0.00 C ATOM 715 O PHE A 48 -6.867 0.085 -5.039 1.00 0.00 O ATOM 716 CB PHE A 48 -8.181 -2.207 -3.194 1.00 0.00 C ATOM 717 CG PHE A 48 -6.710 -2.626 -3.138 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.710 -1.676 -3.015 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.361 -3.967 -3.165 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.389 -2.062 -2.917 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.039 -4.347 -3.068 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.055 -3.397 -2.944 1.00 0.00 C ATOM 0 H PHE A 48 -7.239 -1.884 -6.234 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.599 -1.529 -4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.394 -1.503 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.818 -3.077 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.966 -0.627 -2.996 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.130 -4.719 -3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.615 -1.315 -2.819 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.777 -5.394 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.020 -3.697 -2.868 1.00 0.00 H new ATOM 732 N THR A 49 -8.778 0.785 -4.135 1.00 0.00 N ATOM 733 CA THR A 49 -8.338 2.202 -4.135 1.00 0.00 C ATOM 734 C THR A 49 -8.114 2.728 -2.732 1.00 0.00 C ATOM 735 O THR A 49 -8.698 2.253 -1.777 1.00 0.00 O ATOM 736 CB THR A 49 -9.434 3.038 -4.805 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.505 3.060 -3.883 1.00 0.00 O ATOM 738 CG2 THR A 49 -9.995 2.309 -6.038 1.00 0.00 C ATOM 0 H THR A 49 -9.712 0.618 -3.761 1.00 0.00 H new ATOM 0 HA THR A 49 -7.391 2.270 -4.671 1.00 0.00 H new ATOM 0 HB THR A 49 -9.038 4.014 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.245 3.585 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.772 2.919 -6.499 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.193 2.139 -6.756 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.418 1.352 -5.733 1.00 0.00 H new ATOM 746 N VAL A 50 -7.257 3.705 -2.644 1.00 0.00 N ATOM 747 CA VAL A 50 -6.949 4.306 -1.332 1.00 0.00 C ATOM 748 C VAL A 50 -6.746 5.834 -1.514 1.00 0.00 C ATOM 749 O VAL A 50 -6.328 6.263 -2.566 1.00 0.00 O ATOM 750 CB VAL A 50 -5.636 3.676 -0.815 1.00 0.00 C ATOM 751 CG1 VAL A 50 -5.950 2.710 0.329 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.971 2.891 -1.951 1.00 0.00 C ATOM 0 H VAL A 50 -6.756 4.111 -3.434 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.760 4.128 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.971 4.465 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.024 2.265 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.437 3.252 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.613 1.923 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.044 2.445 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.644 2.104 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.751 3.565 -2.779 1.00 0.00 H new ATOM 762 N PRO A 51 -7.056 6.641 -0.492 1.00 0.00 N ATOM 763 CA PRO A 51 -6.886 8.099 -0.601 1.00 0.00 C ATOM 764 C PRO A 51 -5.405 8.512 -0.738 1.00 0.00 C ATOM 765 O PRO A 51 -5.027 9.598 -0.344 1.00 0.00 O ATOM 766 CB PRO A 51 -7.452 8.661 0.726 1.00 0.00 C ATOM 767 CG PRO A 51 -7.784 7.448 1.641 1.00 0.00 C ATOM 768 CD PRO A 51 -7.613 6.176 0.797 1.00 0.00 C ATOM 0 HA PRO A 51 -7.391 8.479 -1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.725 9.316 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.345 9.257 0.540 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.121 7.427 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.803 7.522 2.022 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.943 5.467 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.566 5.667 0.654 1.00 0.00 H new ATOM 776 N GLY A 52 -4.596 7.653 -1.304 1.00 0.00 N ATOM 777 CA GLY A 52 -3.151 8.009 -1.456 1.00 0.00 C ATOM 778 C GLY A 52 -2.566 8.417 -0.103 1.00 0.00 C ATOM 779 O GLY A 52 -1.453 8.896 -0.022 1.00 0.00 O ATOM 0 H GLY A 52 -4.865 6.737 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.599 7.159 -1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.043 8.826 -2.169 1.00 0.00 H new ATOM 783 N SER A 53 -3.334 8.222 0.936 1.00 0.00 N ATOM 784 CA SER A 53 -2.841 8.590 2.282 1.00 0.00 C ATOM 785 C SER A 53 -1.770 7.613 2.744 1.00 0.00 C ATOM 786 O SER A 53 -0.859 7.980 3.462 1.00 0.00 O ATOM 787 CB SER A 53 -4.023 8.533 3.262 1.00 0.00 C ATOM 788 OG SER A 53 -4.065 9.833 3.830 1.00 0.00 O ATOM 0 H SER A 53 -4.274 7.826 0.905 1.00 0.00 H new ATOM 0 HA SER A 53 -2.411 9.591 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.954 8.292 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.872 7.769 4.025 1.00 0.00 H new ATOM 0 HG SER A 53 -4.802 9.885 4.474 1.00 0.00 H new ATOM 794 N LYS A 54 -1.901 6.383 2.323 1.00 0.00 N ATOM 795 CA LYS A 54 -0.902 5.363 2.725 1.00 0.00 C ATOM 796 C LYS A 54 0.163 5.211 1.644 1.00 0.00 C ATOM 797 O LYS A 54 -0.088 5.481 0.486 1.00 0.00 O ATOM 798 CB LYS A 54 -1.630 4.017 2.906 1.00 0.00 C ATOM 799 CG LYS A 54 -1.232 3.397 4.250 1.00 0.00 C ATOM 800 CD LYS A 54 -1.972 4.123 5.380 1.00 0.00 C ATOM 801 CE LYS A 54 -1.085 4.146 6.626 1.00 0.00 C ATOM 802 NZ LYS A 54 -1.878 4.539 7.825 1.00 0.00 N ATOM 0 H LYS A 54 -2.653 6.046 1.722 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.420 5.670 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.709 4.167 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.373 3.340 2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.478 2.335 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.155 3.476 4.395 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.219 5.140 5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.913 3.618 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.642 3.162 6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.263 4.847 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.260 4.549 8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.280 5.487 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.648 3.855 7.972 1.00 0.00 H new ATOM 816 N SER A 55 1.330 4.776 2.044 1.00 0.00 N ATOM 817 CA SER A 55 2.430 4.599 1.056 1.00 0.00 C ATOM 818 C SER A 55 2.635 3.135 0.723 1.00 0.00 C ATOM 819 O SER A 55 3.162 2.802 -0.330 1.00 0.00 O ATOM 820 CB SER A 55 3.726 5.141 1.678 1.00 0.00 C ATOM 821 OG SER A 55 3.353 6.401 2.216 1.00 0.00 O ATOM 0 H SER A 55 1.566 4.537 3.007 1.00 0.00 H new ATOM 0 HA SER A 55 2.171 5.132 0.141 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.106 4.474 2.452 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.514 5.244 0.931 1.00 0.00 H new ATOM 0 HG SER A 55 4.132 6.820 2.639 1.00 0.00 H new ATOM 827 N THR A 56 2.209 2.287 1.620 1.00 0.00 N ATOM 828 CA THR A 56 2.364 0.826 1.390 1.00 0.00 C ATOM 829 C THR A 56 1.026 0.113 1.450 1.00 0.00 C ATOM 830 O THR A 56 -0.013 0.730 1.572 1.00 0.00 O ATOM 831 CB THR A 56 3.263 0.252 2.495 1.00 0.00 C ATOM 832 OG1 THR A 56 2.624 0.593 3.710 1.00 0.00 O ATOM 833 CG2 THR A 56 4.617 0.984 2.551 1.00 0.00 C ATOM 0 H THR A 56 1.761 2.544 2.500 1.00 0.00 H new ATOM 0 HA THR A 56 2.798 0.676 0.401 1.00 0.00 H new ATOM 0 HB THR A 56 3.417 -0.813 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.150 0.252 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.230 0.554 3.343 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.130 0.874 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.451 2.042 2.754 1.00 0.00 H new ATOM 841 N ALA A 57 1.082 -1.184 1.355 1.00 0.00 N ATOM 842 CA ALA A 57 -0.163 -1.978 1.400 1.00 0.00 C ATOM 843 C ALA A 57 0.160 -3.460 1.492 1.00 0.00 C ATOM 844 O ALA A 57 1.312 -3.846 1.433 1.00 0.00 O ATOM 845 CB ALA A 57 -0.952 -1.721 0.105 1.00 0.00 C ATOM 0 H ALA A 57 1.940 -1.725 1.248 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.746 -1.687 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.875 -2.300 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.190 -0.660 0.028 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.350 -2.021 -0.753 1.00 0.00 H new ATOM 851 N THR A 58 -0.861 -4.263 1.639 1.00 0.00 N ATOM 852 CA THR A 58 -0.640 -5.729 1.738 1.00 0.00 C ATOM 853 C THR A 58 -1.569 -6.473 0.793 1.00 0.00 C ATOM 854 O THR A 58 -2.712 -6.096 0.617 1.00 0.00 O ATOM 855 CB THR A 58 -0.926 -6.166 3.184 1.00 0.00 C ATOM 856 OG1 THR A 58 -0.248 -7.396 3.343 1.00 0.00 O ATOM 857 CG2 THR A 58 -2.412 -6.516 3.383 1.00 0.00 C ATOM 0 H THR A 58 -1.835 -3.965 1.694 1.00 0.00 H new ATOM 0 HA THR A 58 0.389 -5.961 1.464 1.00 0.00 H new ATOM 0 HB THR A 58 -0.633 -5.370 3.868 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.389 -7.732 4.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.579 -6.821 4.416 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.025 -5.643 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.686 -7.333 2.715 1.00 0.00 H new ATOM 865 N ILE A 59 -1.055 -7.515 0.194 1.00 0.00 N ATOM 866 CA ILE A 59 -1.880 -8.312 -0.749 1.00 0.00 C ATOM 867 C ILE A 59 -1.748 -9.793 -0.446 1.00 0.00 C ATOM 868 O ILE A 59 -0.702 -10.378 -0.643 1.00 0.00 O ATOM 869 CB ILE A 59 -1.377 -8.038 -2.173 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.060 -6.799 -2.724 1.00 0.00 C ATOM 871 CG2 ILE A 59 -1.735 -9.233 -3.082 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.126 -6.119 -3.725 1.00 0.00 C ATOM 0 H ILE A 59 -0.098 -7.846 0.320 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.928 -8.030 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.297 -7.892 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.998 -7.070 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.307 -6.113 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.379 -9.040 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.263 -10.137 -2.697 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.817 -9.367 -3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.609 -5.228 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.200 -5.836 -3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.902 -6.808 -4.540 1.00 0.00 H new ATOM 884 N SER A 60 -2.821 -10.372 0.036 1.00 0.00 N ATOM 885 CA SER A 60 -2.797 -11.819 0.364 1.00 0.00 C ATOM 886 C SER A 60 -3.639 -12.609 -0.633 1.00 0.00 C ATOM 887 O SER A 60 -4.629 -12.111 -1.135 1.00 0.00 O ATOM 888 CB SER A 60 -3.402 -12.004 1.763 1.00 0.00 C ATOM 889 OG SER A 60 -2.369 -12.621 2.513 1.00 0.00 O ATOM 0 H SER A 60 -3.708 -9.900 0.214 1.00 0.00 H new ATOM 0 HA SER A 60 -1.769 -12.179 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.694 -11.049 2.199 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.296 -12.627 1.731 1.00 0.00 H new ATOM 0 HG SER A 60 -1.923 -13.297 1.961 1.00 0.00 H new ATOM 895 N GLY A 61 -3.228 -13.828 -0.903 1.00 0.00 N ATOM 896 CA GLY A 61 -3.997 -14.678 -1.872 1.00 0.00 C ATOM 897 C GLY A 61 -3.123 -15.034 -3.072 1.00 0.00 C ATOM 898 O GLY A 61 -3.619 -15.387 -4.125 1.00 0.00 O ATOM 0 H GLY A 61 -2.401 -14.268 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.337 -15.588 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.887 -14.146 -2.207 1.00 0.00 H new ATOM 902 N LEU A 62 -1.835 -14.936 -2.876 1.00 0.00 N ATOM 903 CA LEU A 62 -0.887 -15.257 -3.974 1.00 0.00 C ATOM 904 C LEU A 62 -0.184 -16.593 -3.732 1.00 0.00 C ATOM 905 O LEU A 62 -0.494 -17.303 -2.794 1.00 0.00 O ATOM 906 CB LEU A 62 0.168 -14.120 -4.054 1.00 0.00 C ATOM 907 CG LEU A 62 1.230 -14.269 -2.936 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.144 -13.038 -2.955 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.542 -14.366 -1.567 1.00 0.00 C ATOM 0 H LEU A 62 -1.401 -14.647 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.441 -15.339 -4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.656 -14.139 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.327 -13.153 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 62 1.812 -15.174 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.896 -13.131 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.637 -12.966 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.550 -12.141 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.296 -14.471 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.042 -13.463 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.118 -15.233 -1.552 1.00 0.00 H new ATOM 921 N LYS A 63 0.756 -16.900 -4.592 1.00 0.00 N ATOM 922 CA LYS A 63 1.508 -18.176 -4.455 1.00 0.00 C ATOM 923 C LYS A 63 3.027 -17.925 -4.699 1.00 0.00 C ATOM 924 O LYS A 63 3.393 -17.435 -5.749 1.00 0.00 O ATOM 925 CB LYS A 63 0.980 -19.131 -5.551 1.00 0.00 C ATOM 926 CG LYS A 63 1.773 -20.442 -5.534 1.00 0.00 C ATOM 927 CD LYS A 63 0.796 -21.616 -5.446 1.00 0.00 C ATOM 928 CE LYS A 63 1.586 -22.924 -5.434 1.00 0.00 C ATOM 929 NZ LYS A 63 2.178 -23.185 -6.776 1.00 0.00 N ATOM 0 H LYS A 63 1.032 -16.318 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 63 1.375 -18.594 -3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.078 -19.335 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.066 -18.658 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.381 -20.525 -6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.457 -20.457 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.190 -21.534 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.110 -21.599 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.376 -22.872 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.932 -23.749 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.505 -24.171 -6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.460 -23.021 -7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.983 -22.545 -6.930 1.00 0.00 H new ATOM 943 N PRO A 64 3.905 -18.260 -3.727 1.00 0.00 N ATOM 944 CA PRO A 64 5.338 -18.038 -3.921 1.00 0.00 C ATOM 945 C PRO A 64 5.856 -18.753 -5.168 1.00 0.00 C ATOM 946 O PRO A 64 5.783 -19.962 -5.269 1.00 0.00 O ATOM 947 CB PRO A 64 6.011 -18.625 -2.660 1.00 0.00 C ATOM 948 CG PRO A 64 4.877 -19.097 -1.702 1.00 0.00 C ATOM 949 CD PRO A 64 3.542 -18.858 -2.421 1.00 0.00 C ATOM 0 HA PRO A 64 5.555 -16.979 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.661 -19.459 -2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.636 -17.875 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.997 -20.152 -1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.912 -18.544 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.994 -19.791 -2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.900 -18.190 -1.847 1.00 0.00 H new ATOM 957 N GLY A 65 6.365 -17.980 -6.097 1.00 0.00 N ATOM 958 CA GLY A 65 6.899 -18.585 -7.357 1.00 0.00 C ATOM 959 C GLY A 65 5.914 -18.382 -8.512 1.00 0.00 C ATOM 960 O GLY A 65 5.375 -19.333 -9.043 1.00 0.00 O ATOM 0 H GLY A 65 6.433 -16.964 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.858 -18.132 -7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.079 -19.650 -7.208 1.00 0.00 H new ATOM 964 N VAL A 66 5.702 -17.145 -8.880 1.00 0.00 N ATOM 965 CA VAL A 66 4.762 -16.874 -9.992 1.00 0.00 C ATOM 966 C VAL A 66 4.919 -15.451 -10.527 1.00 0.00 C ATOM 967 O VAL A 66 5.260 -14.537 -9.797 1.00 0.00 O ATOM 968 CB VAL A 66 3.335 -17.041 -9.452 1.00 0.00 C ATOM 969 CG1 VAL A 66 3.076 -15.988 -8.367 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.332 -16.848 -10.596 1.00 0.00 C ATOM 0 H VAL A 66 6.137 -16.323 -8.460 1.00 0.00 H new ATOM 0 HA VAL A 66 4.970 -17.567 -10.807 1.00 0.00 H new ATOM 0 HB VAL A 66 3.219 -18.039 -9.029 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.063 -16.104 -7.982 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.791 -16.119 -7.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.190 -14.991 -8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.318 -16.966 -10.215 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.447 -15.849 -11.016 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.517 -17.591 -11.371 1.00 0.00 H new ATOM 980 N ASP A 67 4.674 -15.295 -11.800 1.00 0.00 N ATOM 981 CA ASP A 67 4.796 -13.955 -12.411 1.00 0.00 C ATOM 982 C ASP A 67 3.672 -13.058 -11.919 1.00 0.00 C ATOM 983 O ASP A 67 2.610 -13.538 -11.570 1.00 0.00 O ATOM 984 CB ASP A 67 4.685 -14.107 -13.936 1.00 0.00 C ATOM 985 CG ASP A 67 5.563 -13.057 -14.618 1.00 0.00 C ATOM 986 OD1 ASP A 67 5.544 -11.937 -14.135 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.205 -13.435 -15.585 1.00 0.00 O ATOM 0 H ASP A 67 4.395 -16.041 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 67 5.753 -13.510 -12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.996 -15.108 -14.236 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.648 -13.989 -14.250 1.00 0.00 H new ATOM 992 N TYR A 68 3.911 -11.775 -11.891 1.00 0.00 N ATOM 993 CA TYR A 68 2.857 -10.863 -11.420 1.00 0.00 C ATOM 994 C TYR A 68 2.902 -9.528 -12.147 1.00 0.00 C ATOM 995 O TYR A 68 3.963 -9.003 -12.425 1.00 0.00 O ATOM 996 CB TYR A 68 3.101 -10.616 -9.936 1.00 0.00 C ATOM 997 CG TYR A 68 2.076 -11.403 -9.115 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.740 -11.058 -9.138 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.476 -12.474 -8.340 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.180 -11.774 -8.398 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.556 -13.189 -7.603 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.223 -12.846 -7.625 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.694 -13.560 -6.882 1.00 0.00 O ATOM 0 H TYR A 68 4.785 -11.332 -12.173 1.00 0.00 H new ATOM 0 HA TYR A 68 1.883 -11.314 -11.609 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.112 -10.922 -9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.021 -9.552 -9.715 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.412 -10.223 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.519 -12.754 -8.311 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.223 -11.494 -8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.884 -14.025 -7.003 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.583 -14.518 -7.058 1.00 0.00 H new ATOM 1013 N THR A 69 1.736 -9.012 -12.445 1.00 0.00 N ATOM 1014 CA THR A 69 1.654 -7.710 -13.151 1.00 0.00 C ATOM 1015 C THR A 69 0.940 -6.702 -12.269 1.00 0.00 C ATOM 1016 O THR A 69 -0.254 -6.786 -12.086 1.00 0.00 O ATOM 1017 CB THR A 69 0.849 -7.909 -14.443 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.731 -8.562 -15.333 1.00 0.00 O ATOM 1019 CG2 THR A 69 0.549 -6.562 -15.119 1.00 0.00 C ATOM 0 H THR A 69 0.838 -9.443 -12.226 1.00 0.00 H new ATOM 0 HA THR A 69 2.655 -7.344 -13.381 1.00 0.00 H new ATOM 0 HB THR A 69 -0.078 -8.438 -14.221 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.264 -9.305 -15.769 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.022 -6.732 -16.032 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.030 -5.935 -14.440 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.486 -6.062 -15.365 1.00 0.00 H new ATOM 1027 N ILE A 70 1.691 -5.763 -11.732 1.00 0.00 N ATOM 1028 CA ILE A 70 1.068 -4.735 -10.850 1.00 0.00 C ATOM 1029 C ILE A 70 0.893 -3.417 -11.588 1.00 0.00 C ATOM 1030 O ILE A 70 1.526 -3.178 -12.597 1.00 0.00 O ATOM 1031 CB ILE A 70 1.990 -4.514 -9.636 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.543 -3.267 -8.855 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.426 -4.287 -10.144 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.256 -3.205 -7.494 1.00 0.00 C ATOM 0 H ILE A 70 2.698 -5.670 -11.868 1.00 0.00 H new ATOM 0 HA ILE A 70 0.085 -5.085 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 70 1.944 -5.386 -8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.766 -2.369 -9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.463 -3.290 -8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.091 -4.129 -9.295 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.756 -5.161 -10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.449 -3.410 -10.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.930 -2.317 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.011 -4.095 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.334 -3.159 -7.650 1.00 0.00 H new ATOM 1046 N THR A 71 0.030 -2.583 -11.070 1.00 0.00 N ATOM 1047 CA THR A 71 -0.202 -1.277 -11.727 1.00 0.00 C ATOM 1048 C THR A 71 -0.839 -0.285 -10.767 1.00 0.00 C ATOM 1049 O THR A 71 -1.707 -0.647 -10.000 1.00 0.00 O ATOM 1050 CB THR A 71 -1.168 -1.506 -12.895 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.539 -2.464 -13.715 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.285 -0.254 -13.777 1.00 0.00 C ATOM 0 H THR A 71 -0.517 -2.754 -10.226 1.00 0.00 H new ATOM 0 HA THR A 71 0.753 -0.871 -12.062 1.00 0.00 H new ATOM 0 HB THR A 71 -2.148 -1.785 -12.509 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.430 -2.428 -13.575 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.977 -0.449 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.656 0.579 -13.179 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.305 -0.002 -14.182 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.395 0.955 -10.825 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.978 1.985 -9.911 1.00 0.00 C ATOM 1062 C VAL A 72 -1.349 3.219 -10.705 1.00 0.00 C ATOM 1063 O VAL A 72 -0.535 3.785 -11.423 1.00 0.00 O ATOM 1064 CB VAL A 72 0.038 2.330 -8.760 1.00 0.00 C ATOM 1065 CG1 VAL A 72 1.147 1.295 -8.750 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.665 3.729 -8.937 1.00 0.00 C ATOM 0 H VAL A 72 0.333 1.289 -11.456 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.882 1.589 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.513 2.324 -7.819 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.855 1.528 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.721 0.307 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.663 1.306 -9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.359 3.923 -8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.201 3.770 -9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.122 4.484 -8.932 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.595 3.584 -10.599 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.080 4.770 -11.322 1.00 0.00 C ATOM 1078 C TYR A 73 -3.265 5.930 -10.368 1.00 0.00 C ATOM 1079 O TYR A 73 -3.883 5.792 -9.321 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.435 4.424 -11.959 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.225 3.992 -13.409 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -3.268 3.052 -13.724 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -4.994 4.529 -14.420 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -3.084 2.649 -15.031 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -4.810 4.126 -15.729 1.00 0.00 C ATOM 1086 CZ TYR A 73 -3.852 3.183 -16.044 1.00 0.00 C ATOM 1087 OH TYR A 73 -3.668 2.779 -17.351 1.00 0.00 O ATOM 0 H TYR A 73 -3.296 3.102 -10.036 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.354 5.055 -12.083 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.919 3.625 -11.397 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.098 5.288 -11.919 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.657 2.627 -12.942 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.745 5.269 -14.187 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.332 1.909 -15.262 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.420 4.552 -16.512 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.295 3.257 -17.933 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.712 7.049 -10.742 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.824 8.253 -9.893 1.00 0.00 C ATOM 1099 C ALA A 74 -3.858 9.202 -10.472 1.00 0.00 C ATOM 1100 O ALA A 74 -3.593 9.881 -11.445 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.464 8.950 -9.895 1.00 0.00 C ATOM 0 H ALA A 74 -2.185 7.176 -11.606 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.124 7.972 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.513 9.845 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.708 8.274 -9.496 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.199 9.229 -10.915 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.020 9.244 -9.866 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.078 10.157 -10.390 1.00 0.00 C ATOM 1109 C VAL A 75 -6.164 11.463 -9.602 1.00 0.00 C ATOM 1110 O VAL A 75 -6.400 11.462 -8.400 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.429 9.438 -10.298 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.435 10.162 -11.202 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.262 7.991 -10.776 1.00 0.00 C ATOM 0 H VAL A 75 -5.277 8.695 -9.046 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.824 10.408 -11.420 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.787 9.441 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.401 9.660 -11.146 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.543 11.195 -10.872 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.077 10.145 -12.231 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.220 7.474 -10.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.915 7.987 -11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.533 7.482 -10.146 1.00 0.00 H new ATOM 1123 N THR A 76 -5.973 12.558 -10.306 1.00 0.00 N ATOM 1124 CA THR A 76 -6.035 13.892 -9.653 1.00 0.00 C ATOM 1125 C THR A 76 -7.459 14.417 -9.702 1.00 0.00 C ATOM 1126 O THR A 76 -7.923 15.080 -8.797 1.00 0.00 O ATOM 1127 CB THR A 76 -5.140 14.857 -10.435 1.00 0.00 C ATOM 1128 OG1 THR A 76 -5.247 14.455 -11.786 1.00 0.00 O ATOM 1129 CG2 THR A 76 -3.662 14.643 -10.084 1.00 0.00 C ATOM 0 H THR A 76 -5.777 12.576 -11.307 1.00 0.00 H new ATOM 0 HA THR A 76 -5.707 13.809 -8.617 1.00 0.00 H new ATOM 0 HB THR A 76 -5.436 15.885 -10.224 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.694 15.039 -12.346 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.048 15.341 -10.653 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.513 14.814 -9.018 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.374 13.621 -10.331 1.00 0.00 H new ATOM 1266 N PRO A 87 -0.202 7.548 -15.201 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.304 6.216 -14.604 1.00 0.00 C ATOM 1268 C PRO A 87 0.875 5.350 -15.024 1.00 0.00 C ATOM 1269 O PRO A 87 1.576 5.683 -15.960 1.00 0.00 O ATOM 1270 CB PRO A 87 -1.609 5.624 -15.177 1.00 0.00 C ATOM 1271 CG PRO A 87 -2.234 6.693 -16.124 1.00 0.00 C ATOM 1272 CD PRO A 87 -1.307 7.918 -16.105 1.00 0.00 C ATOM 0 HA PRO A 87 -0.303 6.260 -13.515 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.405 4.702 -15.722 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.301 5.373 -14.373 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -2.331 6.300 -17.136 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.236 6.964 -15.790 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.938 8.149 -17.104 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.831 8.804 -15.746 1.00 0.00 H new ATOM 1280 N ILE A 88 1.091 4.253 -14.334 1.00 0.00 N ATOM 1281 CA ILE A 88 2.234 3.397 -14.729 1.00 0.00 C ATOM 1282 C ILE A 88 1.987 1.937 -14.389 1.00 0.00 C ATOM 1283 O ILE A 88 1.521 1.615 -13.314 1.00 0.00 O ATOM 1284 CB ILE A 88 3.486 3.883 -13.995 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.726 3.312 -14.667 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.440 3.381 -12.541 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.971 3.782 -13.917 1.00 0.00 C ATOM 0 H ILE A 88 0.539 3.928 -13.540 1.00 0.00 H new ATOM 0 HA ILE A 88 2.363 3.470 -15.809 1.00 0.00 H new ATOM 0 HB ILE A 88 3.521 4.972 -14.020 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.681 2.223 -14.673 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.771 3.635 -15.707 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.328 3.723 -12.010 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.550 3.773 -12.049 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.409 2.291 -12.533 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.861 3.374 -14.397 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.017 4.871 -13.934 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.925 3.437 -12.884 1.00 0.00 H new ATOM 1299 N SER A 89 2.304 1.082 -15.331 1.00 0.00 N ATOM 1300 CA SER A 89 2.111 -0.373 -15.117 1.00 0.00 C ATOM 1301 C SER A 89 3.402 -1.112 -15.423 1.00 0.00 C ATOM 1302 O SER A 89 4.089 -0.792 -16.372 1.00 0.00 O ATOM 1303 CB SER A 89 1.017 -0.865 -16.076 1.00 0.00 C ATOM 1304 OG SER A 89 0.129 0.238 -16.186 1.00 0.00 O ATOM 0 H SER A 89 2.689 1.337 -16.240 1.00 0.00 H new ATOM 0 HA SER A 89 1.825 -0.559 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.432 -1.141 -17.046 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.510 -1.747 -15.684 1.00 0.00 H new ATOM 0 HG SER A 89 -0.607 0.006 -16.790 1.00 0.00 H new ATOM 1310 N ILE A 90 3.720 -2.088 -14.618 1.00 0.00 N ATOM 1311 CA ILE A 90 4.972 -2.841 -14.870 1.00 0.00 C ATOM 1312 C ILE A 90 4.865 -4.289 -14.406 1.00 0.00 C ATOM 1313 O ILE A 90 4.047 -4.630 -13.565 1.00 0.00 O ATOM 1314 CB ILE A 90 6.109 -2.163 -14.097 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.685 -1.919 -12.655 1.00 0.00 C ATOM 1316 CG2 ILE A 90 6.414 -0.801 -14.751 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.821 -1.214 -11.914 1.00 0.00 C ATOM 0 H ILE A 90 3.175 -2.390 -13.811 1.00 0.00 H new ATOM 0 HA ILE A 90 5.162 -2.841 -15.943 1.00 0.00 H new ATOM 0 HB ILE A 90 6.989 -2.807 -14.117 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.782 -1.310 -12.626 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.447 -2.864 -12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.222 -0.310 -14.209 1.00 0.00 H new ATOM 0 HG22 ILE A 90 6.714 -0.954 -15.788 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.523 -0.175 -14.720 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.525 -1.035 -10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.712 -1.841 -11.933 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.036 -0.262 -12.399 1.00 0.00 H new ATOM 1329 N ASN A 91 5.702 -5.115 -14.972 1.00 0.00 N ATOM 1330 CA ASN A 91 5.692 -6.542 -14.603 1.00 0.00 C ATOM 1331 C ASN A 91 6.743 -6.833 -13.542 1.00 0.00 C ATOM 1332 O ASN A 91 7.680 -6.079 -13.368 1.00 0.00 O ATOM 1333 CB ASN A 91 6.028 -7.351 -15.857 1.00 0.00 C ATOM 1334 CG ASN A 91 6.661 -6.425 -16.896 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.092 -6.160 -17.935 1.00 0.00 O ATOM 1336 ND2 ASN A 91 7.837 -5.911 -16.653 1.00 0.00 N ATOM 0 H ASN A 91 6.392 -4.853 -15.676 1.00 0.00 H new ATOM 0 HA ASN A 91 4.712 -6.807 -14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.713 -8.162 -15.609 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.126 -7.809 -16.262 1.00 0.00 H new ATOM 0 HD21 ASN A 91 8.273 -5.290 -17.335 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.319 -6.130 -15.781 1.00 0.00 H new ATOM 1343 N TYR A 92 6.571 -7.925 -12.848 1.00 0.00 N ATOM 1344 CA TYR A 92 7.553 -8.276 -11.799 1.00 0.00 C ATOM 1345 C TYR A 92 7.354 -9.703 -11.321 1.00 0.00 C ATOM 1346 O TYR A 92 6.252 -10.109 -11.008 1.00 0.00 O ATOM 1347 CB TYR A 92 7.352 -7.328 -10.608 1.00 0.00 C ATOM 1348 CG TYR A 92 8.505 -7.514 -9.616 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.536 -8.603 -8.762 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.536 -6.600 -9.568 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.582 -8.771 -7.879 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.582 -6.768 -8.684 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.614 -7.854 -7.833 1.00 0.00 C ATOM 1354 OH TYR A 92 11.660 -8.023 -6.950 1.00 0.00 O ATOM 0 H TYR A 92 5.798 -8.580 -12.965 1.00 0.00 H new ATOM 0 HA TYR A 92 8.557 -8.183 -12.213 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.316 -6.295 -10.953 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.400 -7.535 -10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.735 -9.327 -8.787 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.525 -5.745 -10.228 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.594 -9.626 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.382 -6.043 -8.658 1.00 0.00 H new ATOM 0 HH TYR A 92 12.298 -7.286 -7.053 1.00 0.00 H new ATOM 1364 N ARG A 93 8.425 -10.440 -11.275 1.00 0.00 N ATOM 1365 CA ARG A 93 8.317 -11.841 -10.819 1.00 0.00 C ATOM 1366 C ARG A 93 8.469 -11.913 -9.309 1.00 0.00 C ATOM 1367 O ARG A 93 9.494 -11.535 -8.775 1.00 0.00 O ATOM 1368 CB ARG A 93 9.441 -12.657 -11.474 1.00 0.00 C ATOM 1369 CG ARG A 93 9.138 -12.824 -12.965 1.00 0.00 C ATOM 1370 CD ARG A 93 10.455 -12.974 -13.736 1.00 0.00 C ATOM 1371 NE ARG A 93 10.943 -11.622 -14.133 1.00 0.00 N ATOM 1372 CZ ARG A 93 10.499 -11.078 -15.231 1.00 0.00 C ATOM 1373 NH1 ARG A 93 10.738 -11.669 -16.370 1.00 0.00 N ATOM 1374 NH2 ARG A 93 9.832 -9.959 -15.156 1.00 0.00 N ATOM 0 H ARG A 93 9.363 -10.132 -11.532 1.00 0.00 H new ATOM 0 HA ARG A 93 7.341 -12.239 -11.098 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.398 -12.153 -11.339 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.524 -13.633 -10.996 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.508 -13.699 -13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.583 -11.961 -13.334 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.199 -13.476 -13.117 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.305 -13.594 -14.620 1.00 0.00 H new ATOM 0 HE ARG A 93 11.618 -11.127 -13.550 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.265 -12.542 -16.391 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.398 -11.258 -17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.666 -9.524 -14.248 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.477 -9.519 -16.005 1.00 0.00 H new ATOM 1388 N THR A 94 7.443 -12.401 -8.644 1.00 0.00 N ATOM 1389 CA THR A 94 7.511 -12.506 -7.152 1.00 0.00 C ATOM 1390 C THR A 94 7.340 -13.949 -6.699 1.00 0.00 C ATOM 1391 O THR A 94 6.688 -14.673 -7.433 1.00 0.00 O ATOM 1392 CB THR A 94 6.376 -11.662 -6.551 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.688 -11.118 -7.658 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.935 -10.436 -5.798 1.00 0.00 C ATOM 1395 OXT THR A 94 7.869 -14.250 -5.640 1.00 0.00 O ATOM 0 H THR A 94 6.573 -12.726 -9.066 1.00 0.00 H new ATOM 0 HA THR A 94 8.485 -12.149 -6.818 1.00 0.00 H new ATOM 0 HB THR A 94 5.777 -12.278 -5.880 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.944 -10.565 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.110 -9.857 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.586 -10.771 -4.990 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.504 -9.814 -6.488 1.00 0.00 H new