USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc= 0.0994 K(o=0.099,f=-3.1!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.007 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0352) USER MOD Single : A 28 MET CE :methyl -170:sc= 0 (180deg=-0.194) USER MOD Single : A 38 SER OG : rot 169:sc= -4! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 163:sc=-4.06e-05 (180deg=-0.353) USER MOD Single : A 48 MET CE :methyl -166:sc= 0 (180deg=-0.104) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.64 K(o=-0.64,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -87:sc= 0.743 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 81 MET CE :methyl -170:sc= -1.4 (180deg=-1.56) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 86 MET CE :methyl 166:sc= -0.379 (180deg=-1.11) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N ASP A 5 -15.619 6.127 -9.708 1.00 0.00 N ATOM 56 CA ASP A 5 -14.717 7.289 -9.496 1.00 0.00 C ATOM 57 C ASP A 5 -13.846 7.035 -8.233 1.00 0.00 C ATOM 58 O ASP A 5 -13.897 7.802 -7.260 1.00 0.00 O ATOM 59 CB ASP A 5 -15.517 8.621 -9.399 1.00 0.00 C ATOM 60 CG ASP A 5 -16.370 8.806 -8.132 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.431 8.153 -8.018 1.00 0.00 O ATOM 62 OD2 ASP A 5 -15.978 9.599 -7.248 1.00 0.00 O ATOM 0 HA ASP A 5 -14.057 7.394 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.812 9.450 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.172 8.692 -10.267 1.00 0.00 H new ATOM 67 N GLN A 6 -13.072 5.935 -8.248 1.00 0.00 N ATOM 68 CA GLN A 6 -12.262 5.485 -7.085 1.00 0.00 C ATOM 69 C GLN A 6 -10.888 6.207 -7.141 1.00 0.00 C ATOM 70 O GLN A 6 -10.307 6.542 -6.102 1.00 0.00 O ATOM 71 CB GLN A 6 -12.121 3.936 -7.092 1.00 0.00 C ATOM 72 CG GLN A 6 -10.846 3.367 -7.759 1.00 0.00 C ATOM 73 CD GLN A 6 -10.940 3.213 -9.288 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.953 3.549 -9.902 1.00 0.00 O ATOM 75 NE2 GLN A 6 -9.900 2.704 -9.931 1.00 0.00 N ATOM 0 H GLN A 6 -12.986 5.328 -9.063 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.753 5.745 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.153 3.585 -6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.989 3.516 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -10.006 4.020 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.626 2.393 -7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.065 2.429 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -9.934 2.587 -10.944 1.00 0.00 H new ATOM 84 N GLN A 7 -10.372 6.410 -8.367 1.00 0.00 N ATOM 85 CA GLN A 7 -9.020 6.984 -8.600 1.00 0.00 C ATOM 86 C GLN A 7 -9.141 8.530 -8.683 1.00 0.00 C ATOM 87 O GLN A 7 -8.208 9.255 -8.318 1.00 0.00 O ATOM 88 CB GLN A 7 -8.387 6.432 -9.910 1.00 0.00 C ATOM 89 CG GLN A 7 -8.886 7.071 -11.226 1.00 0.00 C ATOM 90 CD GLN A 7 -9.975 6.231 -11.914 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.149 6.602 -11.935 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.618 5.093 -12.491 1.00 0.00 N ATOM 0 H GLN A 7 -10.873 6.184 -9.226 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.370 6.699 -7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.307 6.565 -9.852 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.574 5.359 -9.956 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.278 8.066 -11.017 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.044 7.196 -11.907 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -8.643 4.794 -12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.318 4.516 -12.958 1.00 0.00 H new ATOM 101 N ALA A 8 -10.297 9.018 -9.171 1.00 0.00 N ATOM 102 CA ALA A 8 -10.567 10.474 -9.317 1.00 0.00 C ATOM 103 C ALA A 8 -10.157 11.228 -8.022 1.00 0.00 C ATOM 104 O ALA A 8 -9.589 12.324 -8.085 1.00 0.00 O ATOM 105 CB ALA A 8 -12.057 10.678 -9.653 1.00 0.00 C ATOM 0 H ALA A 8 -11.069 8.425 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.972 10.886 -10.132 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.263 11.743 -9.762 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.293 10.166 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.670 10.270 -8.850 1.00 0.00 H new ATOM 111 N GLU A 9 -10.440 10.612 -6.859 1.00 0.00 N ATOM 112 CA GLU A 9 -10.199 11.232 -5.528 1.00 0.00 C ATOM 113 C GLU A 9 -8.678 11.189 -5.214 1.00 0.00 C ATOM 114 O GLU A 9 -8.123 12.142 -4.653 1.00 0.00 O ATOM 115 CB GLU A 9 -11.036 10.545 -4.411 1.00 0.00 C ATOM 116 CG GLU A 9 -10.809 9.028 -4.213 1.00 0.00 C ATOM 117 CD GLU A 9 -11.600 8.450 -3.037 1.00 0.00 C ATOM 118 OE1 GLU A 9 -12.761 8.864 -2.826 1.00 0.00 O ATOM 119 OE2 GLU A 9 -11.063 7.582 -2.314 1.00 0.00 O ATOM 0 H GLU A 9 -10.840 9.675 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.526 12.271 -5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.824 11.048 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.092 10.707 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.091 8.503 -5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.747 8.844 -4.054 1.00 0.00 H new ATOM 126 N ALA A 10 -8.021 10.074 -5.583 1.00 0.00 N ATOM 127 CA ALA A 10 -6.584 9.841 -5.274 1.00 0.00 C ATOM 128 C ALA A 10 -5.715 10.952 -5.924 1.00 0.00 C ATOM 129 O ALA A 10 -4.692 11.363 -5.364 1.00 0.00 O ATOM 130 CB ALA A 10 -6.185 8.436 -5.765 1.00 0.00 C ATOM 0 H ALA A 10 -8.459 9.311 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.416 9.886 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.133 8.258 -5.542 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.795 7.687 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.344 8.368 -6.841 1.00 0.00 H new ATOM 136 N ARG A 11 -6.144 11.423 -7.110 1.00 0.00 N ATOM 137 CA ARG A 11 -5.382 12.407 -7.924 1.00 0.00 C ATOM 138 C ARG A 11 -5.519 13.799 -7.247 1.00 0.00 C ATOM 139 O ARG A 11 -4.561 14.582 -7.219 1.00 0.00 O ATOM 140 CB ARG A 11 -5.908 12.433 -9.387 1.00 0.00 C ATOM 141 CG ARG A 11 -6.393 13.815 -9.884 1.00 0.00 C ATOM 142 CD ARG A 11 -6.703 13.829 -11.393 1.00 0.00 C ATOM 143 NE ARG A 11 -5.548 14.314 -12.189 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.077 13.716 -13.302 1.00 0.00 C ATOM 145 NH1 ARG A 11 -5.889 13.073 -14.130 1.00 0.00 N ATOM 146 NH2 ARG A 11 -3.794 13.795 -13.630 1.00 0.00 N ATOM 0 H ARG A 11 -7.026 11.137 -7.536 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.330 12.126 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.115 12.084 -10.048 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.731 11.723 -9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.287 14.102 -9.331 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.630 14.563 -9.667 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.972 12.824 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.567 14.467 -11.581 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.076 15.161 -11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.888 13.025 -13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.515 12.627 -14.967 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.147 14.314 -13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.455 13.337 -14.476 1.00 0.00 H new ATOM 160 N ALA A 12 -6.717 14.080 -6.700 1.00 0.00 N ATOM 161 CA ALA A 12 -7.012 15.370 -6.020 1.00 0.00 C ATOM 162 C ALA A 12 -6.160 15.493 -4.727 1.00 0.00 C ATOM 163 O ALA A 12 -5.794 16.600 -4.315 1.00 0.00 O ATOM 164 CB ALA A 12 -8.522 15.458 -5.724 1.00 0.00 C ATOM 0 H ALA A 12 -7.504 13.432 -6.713 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.746 16.205 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.741 16.402 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.080 15.403 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.815 14.631 -5.078 1.00 0.00 H new ATOM 170 N PHE A 13 -5.829 14.340 -4.117 1.00 0.00 N ATOM 171 CA PHE A 13 -4.989 14.284 -2.890 1.00 0.00 C ATOM 172 C PHE A 13 -3.584 14.872 -3.196 1.00 0.00 C ATOM 173 O PHE A 13 -3.190 15.897 -2.629 1.00 0.00 O ATOM 174 CB PHE A 13 -4.941 12.817 -2.374 1.00 0.00 C ATOM 175 CG PHE A 13 -4.495 12.655 -0.906 1.00 0.00 C ATOM 176 CD1 PHE A 13 -3.805 13.688 -0.260 1.00 0.00 C ATOM 177 CD2 PHE A 13 -4.779 11.477 -0.205 1.00 0.00 C ATOM 178 CE1 PHE A 13 -3.403 13.542 1.066 1.00 0.00 C ATOM 179 CE2 PHE A 13 -4.376 11.334 1.121 1.00 0.00 C ATOM 180 CZ PHE A 13 -3.688 12.366 1.754 1.00 0.00 C ATOM 0 H PHE A 13 -6.130 13.424 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.417 14.892 -2.093 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.931 12.375 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.263 12.247 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.584 14.602 -0.792 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.313 10.676 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.870 14.341 1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.597 10.423 1.658 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.375 12.254 2.781 1.00 0.00 H new ATOM 190 N LEU A 14 -2.848 14.206 -4.106 1.00 0.00 N ATOM 191 CA LEU A 14 -1.448 14.570 -4.447 1.00 0.00 C ATOM 192 C LEU A 14 -1.458 15.259 -5.839 1.00 0.00 C ATOM 193 O LEU A 14 -1.890 14.667 -6.833 1.00 0.00 O ATOM 194 CB LEU A 14 -0.525 13.314 -4.428 1.00 0.00 C ATOM 195 CG LEU A 14 -1.209 11.920 -4.542 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.935 11.763 -5.893 1.00 0.00 C ATOM 197 CD2 LEU A 14 -0.216 10.757 -4.342 1.00 0.00 C ATOM 0 H LEU A 14 -3.200 13.403 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.044 15.258 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.188 13.407 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.050 13.332 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.942 11.873 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.403 10.780 -5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.700 12.534 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.216 11.864 -6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.744 9.808 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.565 10.811 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.235 10.829 -3.352 1.00 0.00 H new ATOM 209 N SER A 15 -0.948 16.504 -5.892 1.00 0.00 N ATOM 210 CA SER A 15 -0.947 17.331 -7.127 1.00 0.00 C ATOM 211 C SER A 15 0.060 16.744 -8.154 1.00 0.00 C ATOM 212 O SER A 15 0.361 15.545 -8.129 1.00 0.00 O ATOM 213 CB SER A 15 -0.628 18.799 -6.763 1.00 0.00 C ATOM 214 OG SER A 15 -1.161 19.147 -5.489 1.00 0.00 O ATOM 0 H SER A 15 -0.526 16.968 -5.088 1.00 0.00 H new ATOM 0 HA SER A 15 -1.932 17.313 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.452 18.948 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.039 19.462 -7.524 1.00 0.00 H new ATOM 0 HG SER A 15 -0.941 20.080 -5.286 1.00 0.00 H new ATOM 220 N GLU A 16 0.548 17.603 -9.068 1.00 0.00 N ATOM 221 CA GLU A 16 1.496 17.198 -10.140 1.00 0.00 C ATOM 222 C GLU A 16 2.908 17.022 -9.517 1.00 0.00 C ATOM 223 O GLU A 16 3.668 16.137 -9.928 1.00 0.00 O ATOM 224 CB GLU A 16 1.456 18.223 -11.310 1.00 0.00 C ATOM 225 CG GLU A 16 2.243 17.844 -12.587 1.00 0.00 C ATOM 226 CD GLU A 16 1.805 18.603 -13.844 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.862 18.147 -14.528 1.00 0.00 O ATOM 228 OE2 GLU A 16 2.403 19.656 -14.155 1.00 0.00 O ATOM 0 H GLU A 16 0.302 18.593 -9.091 1.00 0.00 H new ATOM 0 HA GLU A 16 1.208 16.240 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.414 18.384 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.839 19.175 -10.943 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.303 18.030 -12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.131 16.774 -12.765 1.00 0.00 H new ATOM 235 N GLU A 17 3.235 17.881 -8.527 1.00 0.00 N ATOM 236 CA GLU A 17 4.589 17.909 -7.907 1.00 0.00 C ATOM 237 C GLU A 17 4.752 16.627 -7.045 1.00 0.00 C ATOM 238 O GLU A 17 5.795 15.964 -7.092 1.00 0.00 O ATOM 239 CB GLU A 17 4.817 19.225 -7.106 1.00 0.00 C ATOM 240 CG GLU A 17 5.313 20.449 -7.912 1.00 0.00 C ATOM 241 CD GLU A 17 6.471 20.143 -8.868 1.00 0.00 C ATOM 242 OE1 GLU A 17 7.283 19.241 -8.566 1.00 0.00 O ATOM 243 OE2 GLU A 17 6.576 20.807 -9.923 1.00 0.00 O ATOM 0 H GLU A 17 2.586 18.564 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 17 5.363 17.908 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.880 19.495 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.540 19.022 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.480 20.854 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.627 21.226 -7.215 1.00 0.00 H new ATOM 250 N MET A 18 3.704 16.288 -6.271 1.00 0.00 N ATOM 251 CA MET A 18 3.692 15.080 -5.404 1.00 0.00 C ATOM 252 C MET A 18 3.660 13.832 -6.328 1.00 0.00 C ATOM 253 O MET A 18 4.304 12.816 -6.039 1.00 0.00 O ATOM 254 CB MET A 18 2.499 15.106 -4.408 1.00 0.00 C ATOM 255 CG MET A 18 2.582 16.158 -3.286 1.00 0.00 C ATOM 256 SD MET A 18 3.451 15.473 -1.857 1.00 0.00 S ATOM 257 CE MET A 18 2.069 15.029 -0.784 1.00 0.00 C ATOM 0 H MET A 18 2.844 16.835 -6.224 1.00 0.00 H new ATOM 0 HA MET A 18 4.589 15.051 -4.786 1.00 0.00 H new ATOM 0 HB2 MET A 18 1.583 15.277 -4.973 1.00 0.00 H new ATOM 0 HB3 MET A 18 2.412 14.121 -3.950 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.102 17.046 -3.647 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.579 16.472 -2.996 1.00 0.00 H new ATOM 0 HE1 MET A 18 2.451 14.593 0.139 1.00 0.00 H new ATOM 0 HE2 MET A 18 1.488 15.921 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 18 1.432 14.304 -1.292 1.00 0.00 H new ATOM 267 N ILE A 19 2.904 13.929 -7.438 1.00 0.00 N ATOM 268 CA ILE A 19 2.676 12.796 -8.374 1.00 0.00 C ATOM 269 C ILE A 19 4.072 12.389 -8.918 1.00 0.00 C ATOM 270 O ILE A 19 4.328 11.203 -9.167 1.00 0.00 O ATOM 271 CB ILE A 19 1.612 13.150 -9.479 1.00 0.00 C ATOM 272 CG1 ILE A 19 0.150 12.818 -9.039 1.00 0.00 C ATOM 273 CG2 ILE A 19 1.922 12.476 -10.843 1.00 0.00 C ATOM 274 CD1 ILE A 19 -0.957 13.647 -9.709 1.00 0.00 C ATOM 0 H ILE A 19 2.432 14.790 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 19 2.230 11.937 -7.873 1.00 0.00 H new ATOM 0 HB ILE A 19 1.687 14.230 -9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.039 11.764 -9.241 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.076 12.954 -7.960 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.157 12.754 -11.568 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.897 12.807 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.929 11.393 -10.720 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.929 13.332 -9.329 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.806 14.703 -9.487 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.923 13.495 -10.788 1.00 0.00 H new ATOM 286 N ALA A 20 4.955 13.383 -9.129 1.00 0.00 N ATOM 287 CA ALA A 20 6.290 13.167 -9.750 1.00 0.00 C ATOM 288 C ALA A 20 7.105 12.129 -8.932 1.00 0.00 C ATOM 289 O ALA A 20 7.833 11.307 -9.503 1.00 0.00 O ATOM 290 CB ALA A 20 7.020 14.521 -9.849 1.00 0.00 C ATOM 0 H ALA A 20 4.772 14.355 -8.878 1.00 0.00 H new ATOM 0 HA ALA A 20 6.174 12.761 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.000 14.374 -10.303 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.435 15.206 -10.463 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.142 14.942 -8.851 1.00 0.00 H new ATOM 296 N GLU A 21 6.996 12.203 -7.593 1.00 0.00 N ATOM 297 CA GLU A 21 7.786 11.349 -6.666 1.00 0.00 C ATOM 298 C GLU A 21 7.541 9.862 -7.044 1.00 0.00 C ATOM 299 O GLU A 21 8.438 9.020 -6.921 1.00 0.00 O ATOM 300 CB GLU A 21 7.430 11.685 -5.189 1.00 0.00 C ATOM 301 CG GLU A 21 7.371 13.186 -4.817 1.00 0.00 C ATOM 302 CD GLU A 21 8.414 14.051 -5.532 1.00 0.00 C ATOM 303 OE1 GLU A 21 9.560 14.147 -5.040 1.00 0.00 O ATOM 304 OE2 GLU A 21 8.092 14.637 -6.589 1.00 0.00 O ATOM 0 H GLU A 21 6.365 12.849 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 21 8.854 11.543 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.462 11.239 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.163 11.202 -4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.377 13.568 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.507 13.288 -3.740 1.00 0.00 H new ATOM 311 N PHE A 22 6.304 9.555 -7.476 1.00 0.00 N ATOM 312 CA PHE A 22 5.874 8.173 -7.815 1.00 0.00 C ATOM 313 C PHE A 22 6.239 7.877 -9.296 1.00 0.00 C ATOM 314 O PHE A 22 6.427 6.712 -9.670 1.00 0.00 O ATOM 315 CB PHE A 22 4.350 7.995 -7.540 1.00 0.00 C ATOM 316 CG PHE A 22 3.893 8.364 -6.113 1.00 0.00 C ATOM 317 CD1 PHE A 22 4.411 7.682 -5.005 1.00 0.00 C ATOM 318 CD2 PHE A 22 2.976 9.402 -5.910 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.059 8.070 -3.714 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.624 9.786 -4.618 1.00 0.00 C ATOM 321 CZ PHE A 22 3.177 9.131 -3.522 1.00 0.00 C ATOM 0 H PHE A 22 5.570 10.252 -7.602 1.00 0.00 H new ATOM 0 HA PHE A 22 6.396 7.454 -7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.795 8.606 -8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.081 6.957 -7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.086 6.852 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.539 9.907 -6.759 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.470 7.548 -2.862 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.922 10.592 -4.467 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.922 9.446 -2.521 1.00 0.00 H new ATOM 331 N LYS A 23 6.302 8.930 -10.131 1.00 0.00 N ATOM 332 CA LYS A 23 6.575 8.809 -11.589 1.00 0.00 C ATOM 333 C LYS A 23 7.945 8.100 -11.769 1.00 0.00 C ATOM 334 O LYS A 23 8.103 7.246 -12.651 1.00 0.00 O ATOM 335 CB LYS A 23 6.573 10.202 -12.287 1.00 0.00 C ATOM 336 CG LYS A 23 5.242 10.667 -12.924 1.00 0.00 C ATOM 337 CD LYS A 23 5.061 12.198 -13.005 1.00 0.00 C ATOM 338 CE LYS A 23 4.326 12.642 -14.282 1.00 0.00 C ATOM 339 NZ LYS A 23 2.881 12.367 -14.198 1.00 0.00 N ATOM 0 H LYS A 23 6.166 9.892 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 23 5.786 8.222 -12.059 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.876 10.949 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.336 10.192 -13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.174 10.254 -13.930 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.415 10.248 -12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.505 12.541 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.039 12.678 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.486 13.708 -14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.746 12.124 -15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.430 12.600 -15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.731 11.360 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.461 12.947 -13.444 1.00 0.00 H new ATOM 353 N ALA A 24 8.936 8.487 -10.944 1.00 0.00 N ATOM 354 CA ALA A 24 10.332 7.987 -11.061 1.00 0.00 C ATOM 355 C ALA A 24 10.369 6.450 -10.837 1.00 0.00 C ATOM 356 O ALA A 24 10.679 5.681 -11.755 1.00 0.00 O ATOM 357 CB ALA A 24 11.221 8.736 -10.050 1.00 0.00 C ATOM 0 H ALA A 24 8.800 9.150 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 24 10.717 8.177 -12.063 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.246 8.375 -10.130 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.195 9.804 -10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.852 8.559 -9.040 1.00 0.00 H new ATOM 363 N ALA A 25 10.078 6.023 -9.595 1.00 0.00 N ATOM 364 CA ALA A 25 10.142 4.595 -9.186 1.00 0.00 C ATOM 365 C ALA A 25 9.201 3.725 -10.066 1.00 0.00 C ATOM 366 O ALA A 25 9.444 2.524 -10.241 1.00 0.00 O ATOM 367 CB ALA A 25 9.785 4.487 -7.690 1.00 0.00 C ATOM 0 H ALA A 25 9.792 6.651 -8.843 1.00 0.00 H new ATOM 0 HA ALA A 25 11.153 4.215 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.829 3.443 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.495 5.070 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.778 4.872 -7.528 1.00 0.00 H new ATOM 373 N PHE A 26 8.130 4.343 -10.601 1.00 0.00 N ATOM 374 CA PHE A 26 7.081 3.616 -11.369 1.00 0.00 C ATOM 375 C PHE A 26 7.748 2.991 -12.625 1.00 0.00 C ATOM 376 O PHE A 26 7.390 1.884 -13.044 1.00 0.00 O ATOM 377 CB PHE A 26 5.891 4.551 -11.743 1.00 0.00 C ATOM 378 CG PHE A 26 4.892 3.954 -12.763 1.00 0.00 C ATOM 379 CD1 PHE A 26 5.193 3.951 -14.130 1.00 0.00 C ATOM 380 CD2 PHE A 26 3.667 3.435 -12.330 1.00 0.00 C ATOM 381 CE1 PHE A 26 4.264 3.475 -15.052 1.00 0.00 C ATOM 382 CE2 PHE A 26 2.740 2.959 -13.254 1.00 0.00 C ATOM 383 CZ PHE A 26 3.045 2.967 -14.613 1.00 0.00 C ATOM 0 H PHE A 26 7.962 5.346 -10.519 1.00 0.00 H new ATOM 0 HA PHE A 26 6.653 2.824 -10.754 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.349 4.808 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.291 5.480 -12.149 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.149 4.319 -14.471 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.439 3.403 -11.275 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.490 3.500 -16.108 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.785 2.584 -12.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.334 2.578 -15.327 1.00 0.00 H new ATOM 393 N ASP A 27 8.711 3.722 -13.217 1.00 0.00 N ATOM 394 CA ASP A 27 9.463 3.254 -14.412 1.00 0.00 C ATOM 395 C ASP A 27 10.309 2.013 -14.011 1.00 0.00 C ATOM 396 O ASP A 27 10.536 1.117 -14.833 1.00 0.00 O ATOM 397 CB ASP A 27 10.325 4.392 -15.031 1.00 0.00 C ATOM 398 CG ASP A 27 9.618 5.291 -16.060 1.00 0.00 C ATOM 399 OD1 ASP A 27 9.018 6.313 -15.659 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.665 4.980 -17.271 1.00 0.00 O ATOM 0 H ASP A 27 8.993 4.646 -12.890 1.00 0.00 H new ATOM 0 HA ASP A 27 8.764 2.962 -15.195 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.695 5.022 -14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.196 3.942 -15.509 1.00 0.00 H new ATOM 405 N MET A 28 10.790 1.995 -12.752 1.00 0.00 N ATOM 406 CA MET A 28 11.621 0.882 -12.218 1.00 0.00 C ATOM 407 C MET A 28 10.896 -0.451 -12.550 1.00 0.00 C ATOM 408 O MET A 28 11.529 -1.426 -12.971 1.00 0.00 O ATOM 409 CB MET A 28 11.892 1.038 -10.694 1.00 0.00 C ATOM 410 CG MET A 28 13.074 0.223 -10.136 1.00 0.00 C ATOM 411 SD MET A 28 12.840 -0.080 -8.371 1.00 0.00 S ATOM 412 CE MET A 28 12.726 1.606 -7.736 1.00 0.00 C ATOM 0 H MET A 28 10.619 2.741 -12.077 1.00 0.00 H new ATOM 0 HA MET A 28 12.604 0.894 -12.688 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.070 2.092 -10.482 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.990 0.752 -10.153 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.156 -0.725 -10.668 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.007 0.762 -10.300 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.759 1.588 -6.647 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.562 2.195 -8.114 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.788 2.055 -8.063 1.00 0.00 H new ATOM 422 N PHE A 29 9.569 -0.482 -12.325 1.00 0.00 N ATOM 423 CA PHE A 29 8.743 -1.703 -12.520 1.00 0.00 C ATOM 424 C PHE A 29 8.618 -1.974 -14.044 1.00 0.00 C ATOM 425 O PHE A 29 8.805 -3.108 -14.501 1.00 0.00 O ATOM 426 CB PHE A 29 7.351 -1.543 -11.838 1.00 0.00 C ATOM 427 CG PHE A 29 7.389 -1.209 -10.334 1.00 0.00 C ATOM 428 CD1 PHE A 29 8.583 -1.330 -9.613 1.00 0.00 C ATOM 429 CD2 PHE A 29 6.227 -0.795 -9.670 1.00 0.00 C ATOM 430 CE1 PHE A 29 8.612 -1.048 -8.249 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.260 -0.513 -8.306 1.00 0.00 C ATOM 432 CZ PHE A 29 7.452 -0.639 -7.597 1.00 0.00 C ATOM 0 H PHE A 29 9.037 0.327 -12.006 1.00 0.00 H new ATOM 0 HA PHE A 29 9.222 -2.561 -12.048 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.800 -0.757 -12.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.790 -2.467 -11.974 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.486 -1.643 -10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.302 -0.694 -10.218 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.535 -1.147 -7.697 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.361 -0.197 -7.798 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.477 -0.419 -6.540 1.00 0.00 H new ATOM 442 N ASP A 30 8.288 -0.920 -14.814 1.00 0.00 N ATOM 443 CA ASP A 30 8.143 -1.006 -16.291 1.00 0.00 C ATOM 444 C ASP A 30 9.403 -1.701 -16.876 1.00 0.00 C ATOM 445 O ASP A 30 10.536 -1.359 -16.518 1.00 0.00 O ATOM 446 CB ASP A 30 7.880 0.391 -16.925 1.00 0.00 C ATOM 447 CG ASP A 30 7.124 0.395 -18.265 1.00 0.00 C ATOM 448 OD1 ASP A 30 6.332 -0.540 -18.518 1.00 0.00 O ATOM 449 OD2 ASP A 30 7.317 1.338 -19.064 1.00 0.00 O ATOM 0 H ASP A 30 8.114 0.012 -14.439 1.00 0.00 H new ATOM 0 HA ASP A 30 7.268 -1.607 -16.539 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.316 0.991 -16.211 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.839 0.888 -17.071 1.00 0.00 H new ATOM 454 N ALA A 31 9.186 -2.677 -17.778 1.00 0.00 N ATOM 455 CA ALA A 31 10.282 -3.441 -18.431 1.00 0.00 C ATOM 456 C ALA A 31 10.180 -3.307 -19.976 1.00 0.00 C ATOM 457 O ALA A 31 11.198 -3.202 -20.668 1.00 0.00 O ATOM 458 CB ALA A 31 10.211 -4.912 -17.975 1.00 0.00 C ATOM 0 H ALA A 31 8.254 -2.962 -18.078 1.00 0.00 H new ATOM 0 HA ALA A 31 11.250 -3.037 -18.135 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.012 -5.479 -18.450 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.323 -4.963 -16.892 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.248 -5.335 -18.261 1.00 0.00 H new ATOM 464 N ASP A 32 8.934 -3.314 -20.491 1.00 0.00 N ATOM 465 CA ASP A 32 8.660 -3.270 -21.953 1.00 0.00 C ATOM 466 C ASP A 32 8.724 -1.792 -22.426 1.00 0.00 C ATOM 467 O ASP A 32 9.125 -1.507 -23.561 1.00 0.00 O ATOM 468 CB ASP A 32 7.309 -3.955 -22.315 1.00 0.00 C ATOM 469 CG ASP A 32 6.067 -3.047 -22.307 1.00 0.00 C ATOM 470 OD1 ASP A 32 5.950 -2.188 -21.406 1.00 0.00 O ATOM 471 OD2 ASP A 32 5.202 -3.198 -23.198 1.00 0.00 O ATOM 0 H ASP A 32 8.092 -3.350 -19.916 1.00 0.00 H new ATOM 0 HA ASP A 32 9.422 -3.842 -22.482 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.404 -4.398 -23.306 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.141 -4.773 -21.615 1.00 0.00 H new ATOM 476 N GLY A 33 8.352 -0.859 -21.530 1.00 0.00 N ATOM 477 CA GLY A 33 8.461 0.601 -21.792 1.00 0.00 C ATOM 478 C GLY A 33 7.302 1.110 -22.688 1.00 0.00 C ATOM 479 O GLY A 33 7.497 1.417 -23.871 1.00 0.00 O ATOM 0 H GLY A 33 7.970 -1.085 -20.611 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.454 1.142 -20.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.415 0.814 -22.275 1.00 0.00 H new ATOM 483 N GLY A 34 6.083 1.166 -22.115 1.00 0.00 N ATOM 484 CA GLY A 34 4.872 1.617 -22.846 1.00 0.00 C ATOM 485 C GLY A 34 4.174 2.764 -22.072 1.00 0.00 C ATOM 486 O GLY A 34 4.202 3.928 -22.491 1.00 0.00 O ATOM 0 H GLY A 34 5.906 0.904 -21.145 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.147 1.957 -23.844 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.183 0.782 -22.972 1.00 0.00 H new ATOM 490 N GLY A 35 3.571 2.421 -20.916 1.00 0.00 N ATOM 491 CA GLY A 35 2.954 3.416 -20.004 1.00 0.00 C ATOM 492 C GLY A 35 2.370 2.705 -18.756 1.00 0.00 C ATOM 493 O GLY A 35 2.517 3.189 -17.626 1.00 0.00 O ATOM 0 H GLY A 35 3.496 1.458 -20.587 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.698 4.151 -19.698 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.165 3.959 -20.525 1.00 0.00 H new ATOM 497 N ASP A 36 1.706 1.555 -18.982 1.00 0.00 N ATOM 498 CA ASP A 36 1.105 0.731 -17.902 1.00 0.00 C ATOM 499 C ASP A 36 2.018 -0.501 -17.649 1.00 0.00 C ATOM 500 O ASP A 36 2.878 -0.828 -18.475 1.00 0.00 O ATOM 501 CB ASP A 36 -0.362 0.331 -18.232 1.00 0.00 C ATOM 502 CG ASP A 36 -0.985 1.004 -19.468 1.00 0.00 C ATOM 503 OD1 ASP A 36 -0.568 0.685 -20.604 1.00 0.00 O ATOM 504 OD2 ASP A 36 -1.895 1.846 -19.306 1.00 0.00 O ATOM 0 H ASP A 36 1.568 1.167 -19.915 1.00 0.00 H new ATOM 0 HA ASP A 36 1.047 1.316 -16.984 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.400 -0.749 -18.374 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.983 0.561 -17.366 1.00 0.00 H new ATOM 509 N ILE A 37 1.835 -1.154 -16.486 1.00 0.00 N ATOM 510 CA ILE A 37 2.624 -2.346 -16.073 1.00 0.00 C ATOM 511 C ILE A 37 1.849 -3.633 -16.470 1.00 0.00 C ATOM 512 O ILE A 37 0.873 -3.572 -17.229 1.00 0.00 O ATOM 513 CB ILE A 37 3.051 -2.337 -14.558 1.00 0.00 C ATOM 514 CG1 ILE A 37 2.892 -0.967 -13.827 1.00 0.00 C ATOM 515 CG2 ILE A 37 4.476 -2.920 -14.376 1.00 0.00 C ATOM 516 CD1 ILE A 37 3.967 -0.639 -12.777 1.00 0.00 C ATOM 0 H ILE A 37 1.135 -0.874 -15.799 1.00 0.00 H new ATOM 0 HA ILE A 37 3.572 -2.319 -16.610 1.00 0.00 H new ATOM 0 HB ILE A 37 2.332 -2.990 -14.062 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.889 -0.175 -14.576 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.917 -0.948 -13.340 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.745 -2.901 -13.320 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.497 -3.948 -14.738 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.189 -2.321 -14.942 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.757 0.334 -12.334 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.960 -1.402 -11.998 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.947 -0.617 -13.254 1.00 0.00 H new ATOM 528 N SER A 38 2.276 -4.788 -15.926 1.00 0.00 N ATOM 529 CA SER A 38 1.596 -6.091 -16.156 1.00 0.00 C ATOM 530 C SER A 38 1.966 -7.085 -15.021 1.00 0.00 C ATOM 531 O SER A 38 2.400 -6.674 -13.938 1.00 0.00 O ATOM 532 CB SER A 38 1.972 -6.629 -17.555 1.00 0.00 C ATOM 533 OG SER A 38 3.228 -7.299 -17.535 1.00 0.00 O ATOM 0 H SER A 38 3.093 -4.852 -15.319 1.00 0.00 H new ATOM 0 HA SER A 38 0.514 -5.962 -16.133 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.198 -7.314 -17.903 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.010 -5.803 -18.266 1.00 0.00 H new ATOM 0 HG SER A 38 3.357 -7.778 -18.380 1.00 0.00 H new ATOM 539 N THR A 39 1.757 -8.389 -15.283 1.00 0.00 N ATOM 540 CA THR A 39 2.053 -9.478 -14.315 1.00 0.00 C ATOM 541 C THR A 39 3.554 -9.860 -14.436 1.00 0.00 C ATOM 542 O THR A 39 4.348 -9.597 -13.524 1.00 0.00 O ATOM 543 CB THR A 39 1.103 -10.703 -14.501 1.00 0.00 C ATOM 544 OG1 THR A 39 0.404 -10.615 -15.740 1.00 0.00 O ATOM 545 CG2 THR A 39 0.064 -10.903 -13.382 1.00 0.00 C ATOM 0 H THR A 39 1.379 -8.724 -16.169 1.00 0.00 H new ATOM 0 HA THR A 39 1.864 -9.122 -13.302 1.00 0.00 H new ATOM 0 HB THR A 39 1.772 -11.563 -14.473 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.185 -11.392 -15.839 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.546 -11.778 -13.604 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.577 -11.050 -12.431 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.575 -10.022 -13.317 1.00 0.00 H new ATOM 553 N LYS A 40 3.928 -10.482 -15.570 1.00 0.00 N ATOM 554 CA LYS A 40 5.328 -10.912 -15.834 1.00 0.00 C ATOM 555 C LYS A 40 6.277 -9.717 -15.548 1.00 0.00 C ATOM 556 O LYS A 40 7.370 -9.895 -14.997 1.00 0.00 O ATOM 557 CB LYS A 40 5.430 -11.462 -17.286 1.00 0.00 C ATOM 558 CG LYS A 40 6.855 -11.756 -17.820 1.00 0.00 C ATOM 559 CD LYS A 40 7.039 -12.855 -18.894 1.00 0.00 C ATOM 560 CE LYS A 40 6.079 -14.062 -18.826 1.00 0.00 C ATOM 561 NZ LYS A 40 4.960 -13.988 -19.782 1.00 0.00 N ATOM 0 H LYS A 40 3.281 -10.702 -16.327 1.00 0.00 H new ATOM 0 HA LYS A 40 5.632 -11.725 -15.175 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.849 -12.382 -17.343 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.957 -10.744 -17.956 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.252 -10.827 -18.228 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.479 -12.022 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.934 -12.392 -19.875 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.061 -13.229 -18.826 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.645 -14.975 -19.013 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.677 -14.138 -17.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.359 -14.830 -19.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.396 -13.135 -19.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.334 -13.946 -20.752 1.00 0.00 H new ATOM 575 N GLU A 41 5.845 -8.505 -15.944 1.00 0.00 N ATOM 576 CA GLU A 41 6.674 -7.274 -15.845 1.00 0.00 C ATOM 577 C GLU A 41 7.105 -7.071 -14.367 1.00 0.00 C ATOM 578 O GLU A 41 8.294 -6.904 -14.072 1.00 0.00 O ATOM 579 CB GLU A 41 5.924 -6.042 -16.426 1.00 0.00 C ATOM 580 CG GLU A 41 5.684 -5.999 -17.956 1.00 0.00 C ATOM 581 CD GLU A 41 5.496 -4.588 -18.524 1.00 0.00 C ATOM 582 OE1 GLU A 41 5.549 -3.611 -17.745 1.00 0.00 O ATOM 583 OE2 GLU A 41 5.294 -4.452 -19.751 1.00 0.00 O ATOM 0 H GLU A 41 4.919 -8.345 -16.340 1.00 0.00 H new ATOM 0 HA GLU A 41 7.574 -7.387 -16.449 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.954 -5.977 -15.933 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.483 -5.148 -16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.529 -6.471 -18.458 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.801 -6.593 -18.191 1.00 0.00 H new ATOM 590 N LEU A 42 6.118 -7.084 -13.452 1.00 0.00 N ATOM 591 CA LEU A 42 6.341 -6.796 -12.010 1.00 0.00 C ATOM 592 C LEU A 42 7.303 -7.876 -11.445 1.00 0.00 C ATOM 593 O LEU A 42 8.123 -7.594 -10.564 1.00 0.00 O ATOM 594 CB LEU A 42 4.989 -6.763 -11.235 1.00 0.00 C ATOM 595 CG LEU A 42 4.997 -6.137 -9.810 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.669 -4.629 -9.824 1.00 0.00 C ATOM 597 CD2 LEU A 42 4.023 -6.876 -8.870 1.00 0.00 C ATOM 0 H LEU A 42 5.146 -7.292 -13.683 1.00 0.00 H new ATOM 0 HA LEU A 42 6.792 -5.811 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.267 -6.215 -11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.623 -7.786 -11.152 1.00 0.00 H new ATOM 0 HG LEU A 42 6.013 -6.252 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.688 -4.243 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.409 -4.101 -10.426 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.678 -4.476 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.051 -6.416 -7.882 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.012 -6.813 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.317 -7.923 -8.791 1.00 0.00 H new ATOM 609 N GLY A 43 7.168 -9.120 -11.945 1.00 0.00 N ATOM 610 CA GLY A 43 7.932 -10.285 -11.433 1.00 0.00 C ATOM 611 C GLY A 43 9.451 -9.977 -11.395 1.00 0.00 C ATOM 612 O GLY A 43 10.183 -10.520 -10.555 1.00 0.00 O ATOM 0 H GLY A 43 6.533 -9.349 -12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.584 -10.542 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.748 -11.152 -12.067 1.00 0.00 H new ATOM 616 N THR A 44 9.913 -9.111 -12.315 1.00 0.00 N ATOM 617 CA THR A 44 11.355 -8.795 -12.489 1.00 0.00 C ATOM 618 C THR A 44 11.843 -7.975 -11.262 1.00 0.00 C ATOM 619 O THR A 44 12.875 -8.294 -10.661 1.00 0.00 O ATOM 620 CB THR A 44 11.638 -8.075 -13.845 1.00 0.00 C ATOM 621 OG1 THR A 44 11.470 -8.976 -14.937 1.00 0.00 O ATOM 622 CG2 THR A 44 13.032 -7.432 -13.969 1.00 0.00 C ATOM 0 H THR A 44 9.304 -8.608 -12.961 1.00 0.00 H new ATOM 0 HA THR A 44 11.923 -9.724 -12.534 1.00 0.00 H new ATOM 0 HB THR A 44 10.910 -7.264 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.650 -8.507 -15.779 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.129 -6.959 -14.946 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.157 -6.682 -13.188 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.798 -8.200 -13.861 1.00 0.00 H new ATOM 630 N VAL A 45 11.100 -6.903 -10.928 1.00 0.00 N ATOM 631 CA VAL A 45 11.478 -5.943 -9.856 1.00 0.00 C ATOM 632 C VAL A 45 11.481 -6.720 -8.511 1.00 0.00 C ATOM 633 O VAL A 45 12.315 -6.457 -7.634 1.00 0.00 O ATOM 634 CB VAL A 45 10.553 -4.674 -9.852 1.00 0.00 C ATOM 635 CG1 VAL A 45 10.183 -4.206 -8.424 1.00 0.00 C ATOM 636 CG2 VAL A 45 11.135 -3.461 -10.620 1.00 0.00 C ATOM 0 H VAL A 45 10.220 -6.672 -11.389 1.00 0.00 H new ATOM 0 HA VAL A 45 12.476 -5.543 -10.032 1.00 0.00 H new ATOM 0 HB VAL A 45 9.659 -5.015 -10.375 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.543 -3.326 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 45 9.654 -5.005 -7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.092 -3.957 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.434 -2.628 -10.568 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.083 -3.166 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.297 -3.734 -11.663 1.00 0.00 H new ATOM 646 N MET A 46 10.525 -7.653 -8.350 1.00 0.00 N ATOM 647 CA MET A 46 10.321 -8.403 -7.082 1.00 0.00 C ATOM 648 C MET A 46 11.499 -9.402 -6.916 1.00 0.00 C ATOM 649 O MET A 46 11.918 -9.698 -5.790 1.00 0.00 O ATOM 650 CB MET A 46 8.939 -9.116 -7.060 1.00 0.00 C ATOM 651 CG MET A 46 8.878 -10.488 -7.757 1.00 0.00 C ATOM 652 SD MET A 46 7.756 -11.587 -6.865 1.00 0.00 S ATOM 653 CE MET A 46 6.257 -10.585 -6.800 1.00 0.00 C ATOM 0 H MET A 46 9.871 -7.913 -9.088 1.00 0.00 H new ATOM 0 HA MET A 46 10.313 -7.714 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.635 -9.244 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.206 -8.459 -7.528 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.540 -10.367 -8.786 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.874 -10.928 -7.799 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.405 -11.221 -6.560 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.365 -9.818 -6.033 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.094 -10.111 -7.768 1.00 0.00 H new ATOM 663 N ARG A 47 11.999 -9.933 -8.047 1.00 0.00 N ATOM 664 CA ARG A 47 13.095 -10.938 -8.061 1.00 0.00 C ATOM 665 C ARG A 47 14.339 -10.335 -7.352 1.00 0.00 C ATOM 666 O ARG A 47 14.983 -11.005 -6.536 1.00 0.00 O ATOM 667 CB ARG A 47 13.426 -11.367 -9.517 1.00 0.00 C ATOM 668 CG ARG A 47 14.804 -12.044 -9.698 1.00 0.00 C ATOM 669 CD ARG A 47 15.320 -11.993 -11.149 1.00 0.00 C ATOM 670 NE ARG A 47 14.947 -13.208 -11.920 1.00 0.00 N ATOM 671 CZ ARG A 47 14.616 -13.222 -13.228 1.00 0.00 C ATOM 672 NH1 ARG A 47 14.574 -12.137 -14.000 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.314 -14.384 -13.778 1.00 0.00 N ATOM 0 H ARG A 47 11.661 -9.683 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 47 12.780 -11.834 -7.525 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.652 -12.052 -9.863 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.383 -10.487 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 47 15.529 -11.558 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.735 -13.084 -9.380 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.916 -11.111 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 47 16.405 -11.887 -11.144 1.00 0.00 H new ATOM 0 HE ARG A 47 14.941 -14.098 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.801 -11.223 -13.608 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.315 -12.220 -14.983 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.335 -15.235 -13.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.059 -14.430 -14.765 1.00 0.00 H new ATOM 687 N MET A 48 14.674 -9.079 -7.706 1.00 0.00 N ATOM 688 CA MET A 48 15.843 -8.361 -7.130 1.00 0.00 C ATOM 689 C MET A 48 15.766 -8.498 -5.584 1.00 0.00 C ATOM 690 O MET A 48 16.798 -8.577 -4.906 1.00 0.00 O ATOM 691 CB MET A 48 15.891 -6.875 -7.585 1.00 0.00 C ATOM 692 CG MET A 48 16.912 -6.544 -8.690 1.00 0.00 C ATOM 693 SD MET A 48 17.897 -5.107 -8.215 1.00 0.00 S ATOM 694 CE MET A 48 16.630 -3.825 -8.120 1.00 0.00 C ATOM 0 H MET A 48 14.152 -8.533 -8.391 1.00 0.00 H new ATOM 0 HA MET A 48 16.770 -8.805 -7.493 1.00 0.00 H new ATOM 0 HB2 MET A 48 14.899 -6.590 -7.936 1.00 0.00 H new ATOM 0 HB3 MET A 48 16.112 -6.256 -6.716 1.00 0.00 H new ATOM 0 HG2 MET A 48 17.564 -7.401 -8.862 1.00 0.00 H new ATOM 0 HG3 MET A 48 16.393 -6.345 -9.628 1.00 0.00 H new ATOM 0 HE1 MET A 48 17.106 -2.845 -8.084 1.00 0.00 H new ATOM 0 HE2 MET A 48 15.986 -3.884 -8.998 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.031 -3.971 -7.221 1.00 0.00 H new ATOM 704 N LEU A 49 14.534 -8.493 -5.043 1.00 0.00 N ATOM 705 CA LEU A 49 14.285 -8.609 -3.581 1.00 0.00 C ATOM 706 C LEU A 49 15.113 -9.808 -3.046 1.00 0.00 C ATOM 707 O LEU A 49 16.088 -9.632 -2.306 1.00 0.00 O ATOM 708 CB LEU A 49 12.764 -8.777 -3.287 1.00 0.00 C ATOM 709 CG LEU A 49 12.265 -8.411 -1.859 1.00 0.00 C ATOM 710 CD1 LEU A 49 12.043 -6.892 -1.716 1.00 0.00 C ATOM 711 CD2 LEU A 49 10.977 -9.167 -1.471 1.00 0.00 C ATOM 0 H LEU A 49 13.682 -8.409 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 49 14.598 -7.698 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.213 -8.167 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.496 -9.816 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 49 13.053 -8.722 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 49 11.695 -6.669 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 49 12.981 -6.368 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 49 11.296 -6.564 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.672 -8.875 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.184 -8.920 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 49 11.164 -10.241 -1.496 1.00 0.00 H new ATOM 723 N GLY A 50 14.689 -11.036 -3.409 1.00 0.00 N ATOM 724 CA GLY A 50 15.307 -12.283 -2.892 1.00 0.00 C ATOM 725 C GLY A 50 15.124 -13.439 -3.910 1.00 0.00 C ATOM 726 O GLY A 50 16.058 -13.785 -4.646 1.00 0.00 O ATOM 0 H GLY A 50 13.920 -11.195 -4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.368 -12.120 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.853 -12.554 -1.939 1.00 0.00 H new ATOM 730 N GLN A 51 13.921 -14.043 -3.916 1.00 0.00 N ATOM 731 CA GLN A 51 13.607 -15.237 -4.745 1.00 0.00 C ATOM 732 C GLN A 51 12.892 -14.759 -6.038 1.00 0.00 C ATOM 733 O GLN A 51 12.355 -13.647 -6.100 1.00 0.00 O ATOM 734 CB GLN A 51 12.752 -16.249 -3.930 1.00 0.00 C ATOM 735 CG GLN A 51 11.232 -15.965 -3.868 1.00 0.00 C ATOM 736 CD GLN A 51 10.527 -16.535 -2.624 1.00 0.00 C ATOM 737 OE1 GLN A 51 10.511 -15.916 -1.559 1.00 0.00 O ATOM 738 NE2 GLN A 51 9.938 -17.717 -2.724 1.00 0.00 N ATOM 0 H GLN A 51 13.136 -13.723 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 51 14.519 -15.762 -5.029 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.898 -17.242 -4.356 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.137 -16.280 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 51 11.075 -14.887 -3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.761 -16.380 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.956 -18.223 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 51 9.466 -18.122 -1.915 1.00 0.00 H new ATOM 747 N ASN A 52 12.931 -15.605 -7.080 1.00 0.00 N ATOM 748 CA ASN A 52 12.343 -15.338 -8.418 1.00 0.00 C ATOM 749 C ASN A 52 11.064 -16.215 -8.686 1.00 0.00 C ATOM 750 O ASN A 52 11.174 -17.239 -9.371 1.00 0.00 O ATOM 751 CB ASN A 52 13.488 -15.619 -9.442 1.00 0.00 C ATOM 752 CG ASN A 52 14.803 -16.248 -8.889 1.00 0.00 C ATOM 753 OD1 ASN A 52 15.418 -15.734 -7.956 1.00 0.00 O ATOM 754 ND2 ASN A 52 15.261 -17.347 -9.471 1.00 0.00 N ATOM 0 H ASN A 52 13.382 -16.518 -7.022 1.00 0.00 H new ATOM 0 HA ASN A 52 11.989 -14.311 -8.502 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.096 -16.282 -10.213 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.743 -14.678 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.129 -17.772 -9.146 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.745 -17.767 -10.244 1.00 0.00 H new ATOM 761 N PRO A 53 9.840 -15.865 -8.178 1.00 0.00 N ATOM 762 CA PRO A 53 8.592 -16.642 -8.370 1.00 0.00 C ATOM 763 C PRO A 53 8.369 -17.034 -9.857 1.00 0.00 C ATOM 764 O PRO A 53 8.983 -16.457 -10.761 1.00 0.00 O ATOM 765 CB PRO A 53 7.525 -15.680 -7.805 1.00 0.00 C ATOM 766 CG PRO A 53 8.233 -14.804 -6.765 1.00 0.00 C ATOM 767 CD PRO A 53 9.668 -14.697 -7.256 1.00 0.00 C ATOM 0 HA PRO A 53 8.584 -17.611 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.095 -15.069 -8.599 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.705 -16.235 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.766 -13.822 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.187 -15.253 -5.773 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.840 -13.754 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.375 -14.739 -6.427 1.00 0.00 H new ATOM 775 N THR A 54 7.463 -18.002 -10.089 1.00 0.00 N ATOM 776 CA THR A 54 7.130 -18.495 -11.452 1.00 0.00 C ATOM 777 C THR A 54 6.180 -17.476 -12.138 1.00 0.00 C ATOM 778 O THR A 54 5.775 -16.474 -11.535 1.00 0.00 O ATOM 779 CB THR A 54 6.543 -19.942 -11.426 1.00 0.00 C ATOM 780 OG1 THR A 54 7.102 -20.731 -12.474 1.00 0.00 O ATOM 781 CG2 THR A 54 5.009 -20.030 -11.531 1.00 0.00 C ATOM 0 H THR A 54 6.940 -18.466 -9.346 1.00 0.00 H new ATOM 0 HA THR A 54 8.045 -18.568 -12.040 1.00 0.00 H new ATOM 0 HB THR A 54 6.817 -20.322 -10.442 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.724 -21.634 -12.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.702 -21.075 -11.504 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.556 -19.497 -10.695 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.682 -19.580 -12.468 1.00 0.00 H new ATOM 789 N LYS A 55 5.822 -17.757 -13.406 1.00 0.00 N ATOM 790 CA LYS A 55 4.997 -16.845 -14.242 1.00 0.00 C ATOM 791 C LYS A 55 3.514 -17.009 -13.812 1.00 0.00 C ATOM 792 O LYS A 55 2.762 -16.029 -13.750 1.00 0.00 O ATOM 793 CB LYS A 55 5.221 -17.146 -15.755 1.00 0.00 C ATOM 794 CG LYS A 55 6.654 -16.952 -16.310 1.00 0.00 C ATOM 795 CD LYS A 55 7.564 -18.198 -16.229 1.00 0.00 C ATOM 796 CE LYS A 55 6.882 -19.522 -16.628 1.00 0.00 C ATOM 797 NZ LYS A 55 7.796 -20.474 -17.291 1.00 0.00 N ATOM 0 H LYS A 55 6.092 -18.617 -13.883 1.00 0.00 H new ATOM 0 HA LYS A 55 5.289 -15.806 -14.092 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.923 -18.178 -15.942 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.547 -16.510 -16.329 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.584 -16.640 -17.352 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.131 -16.137 -15.765 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.429 -18.042 -16.874 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.939 -18.291 -15.210 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.465 -19.991 -15.737 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.047 -19.306 -17.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.277 -21.342 -17.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.176 -20.044 -18.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.580 -20.707 -16.649 1.00 0.00 H new ATOM 811 N GLU A 56 3.107 -18.263 -13.544 1.00 0.00 N ATOM 812 CA GLU A 56 1.702 -18.607 -13.201 1.00 0.00 C ATOM 813 C GLU A 56 1.369 -17.983 -11.818 1.00 0.00 C ATOM 814 O GLU A 56 0.249 -17.511 -11.591 1.00 0.00 O ATOM 815 CB GLU A 56 1.492 -20.148 -13.256 1.00 0.00 C ATOM 816 CG GLU A 56 0.780 -20.703 -14.513 1.00 0.00 C ATOM 817 CD GLU A 56 1.522 -20.432 -15.825 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.273 -19.434 -15.901 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.356 -21.214 -16.787 1.00 0.00 O ATOM 0 H GLU A 56 3.734 -19.067 -13.557 1.00 0.00 H new ATOM 0 HA GLU A 56 1.007 -18.190 -13.930 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.467 -20.628 -13.176 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.917 -20.446 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.650 -21.779 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.217 -20.266 -14.575 1.00 0.00 H new ATOM 826 N GLU A 57 2.360 -17.992 -10.906 1.00 0.00 N ATOM 827 CA GLU A 57 2.177 -17.515 -9.508 1.00 0.00 C ATOM 828 C GLU A 57 1.737 -16.026 -9.538 1.00 0.00 C ATOM 829 O GLU A 57 0.946 -15.584 -8.696 1.00 0.00 O ATOM 830 CB GLU A 57 3.459 -17.745 -8.657 1.00 0.00 C ATOM 831 CG GLU A 57 3.288 -17.910 -7.126 1.00 0.00 C ATOM 832 CD GLU A 57 2.032 -18.683 -6.714 1.00 0.00 C ATOM 833 OE1 GLU A 57 1.973 -19.911 -6.947 1.00 0.00 O ATOM 834 OE2 GLU A 57 1.099 -18.066 -6.154 1.00 0.00 O ATOM 0 H GLU A 57 3.303 -18.325 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 57 1.393 -18.095 -9.022 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.958 -18.637 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.132 -16.905 -8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.163 -18.422 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.260 -16.922 -6.666 1.00 0.00 H new ATOM 841 N LEU A 58 2.284 -15.259 -10.499 1.00 0.00 N ATOM 842 CA LEU A 58 2.050 -13.794 -10.599 1.00 0.00 C ATOM 843 C LEU A 58 0.569 -13.549 -11.000 1.00 0.00 C ATOM 844 O LEU A 58 -0.057 -12.587 -10.540 1.00 0.00 O ATOM 845 CB LEU A 58 3.080 -13.191 -11.598 1.00 0.00 C ATOM 846 CG LEU A 58 4.490 -12.858 -11.030 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.539 -12.844 -12.160 1.00 0.00 C ATOM 848 CD2 LEU A 58 4.531 -11.519 -10.262 1.00 0.00 C ATOM 0 H LEU A 58 2.897 -15.627 -11.226 1.00 0.00 H new ATOM 0 HA LEU A 58 2.204 -13.290 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.202 -13.891 -12.425 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.656 -12.277 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 58 4.727 -13.646 -10.315 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.519 -12.609 -11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.573 -13.823 -12.637 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.268 -12.089 -12.898 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.541 -11.343 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.244 -10.707 -10.930 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.838 -11.560 -9.422 1.00 0.00 H new ATOM 860 N ASP A 59 0.024 -14.446 -11.842 1.00 0.00 N ATOM 861 CA ASP A 59 -1.351 -14.316 -12.392 1.00 0.00 C ATOM 862 C ASP A 59 -2.351 -14.196 -11.209 1.00 0.00 C ATOM 863 O ASP A 59 -3.362 -13.490 -11.306 1.00 0.00 O ATOM 864 CB ASP A 59 -1.699 -15.490 -13.353 1.00 0.00 C ATOM 865 CG ASP A 59 -3.134 -15.510 -13.905 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.771 -14.436 -13.976 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.630 -16.602 -14.261 1.00 0.00 O ATOM 0 H ASP A 59 0.516 -15.280 -12.163 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.419 -13.413 -12.999 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.008 -15.460 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.521 -16.428 -12.827 1.00 0.00 H new ATOM 872 N ALA A 60 -2.066 -14.918 -10.109 1.00 0.00 N ATOM 873 CA ALA A 60 -2.968 -14.988 -8.929 1.00 0.00 C ATOM 874 C ALA A 60 -2.850 -13.685 -8.091 1.00 0.00 C ATOM 875 O ALA A 60 -3.827 -13.237 -7.480 1.00 0.00 O ATOM 876 CB ALA A 60 -2.618 -16.239 -8.100 1.00 0.00 C ATOM 0 H ALA A 60 -1.213 -15.467 -10.007 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.005 -15.072 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.276 -16.297 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.748 -17.130 -8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.582 -16.176 -7.766 1.00 0.00 H new ATOM 882 N ILE A 61 -1.639 -13.097 -8.075 1.00 0.00 N ATOM 883 CA ILE A 61 -1.320 -11.907 -7.241 1.00 0.00 C ATOM 884 C ILE A 61 -2.184 -10.742 -7.799 1.00 0.00 C ATOM 885 O ILE A 61 -2.732 -9.943 -7.028 1.00 0.00 O ATOM 886 CB ILE A 61 0.228 -11.620 -7.193 1.00 0.00 C ATOM 887 CG1 ILE A 61 0.950 -12.394 -6.045 1.00 0.00 C ATOM 888 CG2 ILE A 61 0.550 -10.104 -7.096 1.00 0.00 C ATOM 889 CD1 ILE A 61 2.007 -11.598 -5.261 1.00 0.00 C ATOM 0 H ILE A 61 -0.853 -13.426 -8.635 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.571 -12.063 -6.192 1.00 0.00 H new ATOM 0 HB ILE A 61 0.615 -11.989 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.196 -12.750 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.429 -13.275 -6.472 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.630 -9.963 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.141 -9.589 -7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.105 -9.695 -6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.443 -12.233 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.790 -11.264 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.538 -10.731 -4.795 1.00 0.00 H new ATOM 901 N ILE A 62 -2.292 -10.660 -9.138 1.00 0.00 N ATOM 902 CA ILE A 62 -2.987 -9.548 -9.841 1.00 0.00 C ATOM 903 C ILE A 62 -4.508 -9.780 -9.624 1.00 0.00 C ATOM 904 O ILE A 62 -5.241 -8.843 -9.279 1.00 0.00 O ATOM 905 CB ILE A 62 -2.543 -9.437 -11.348 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.194 -8.669 -11.525 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.638 -8.800 -12.247 1.00 0.00 C ATOM 908 CD1 ILE A 62 -0.876 -8.194 -12.953 1.00 0.00 C ATOM 0 H ILE A 62 -1.902 -11.360 -9.770 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.716 -8.574 -9.434 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.390 -10.465 -11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.203 -7.800 -10.867 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.383 -9.315 -11.188 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.280 -8.748 -13.275 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.541 -9.410 -12.208 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.863 -7.795 -11.890 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.082 -7.674 -12.959 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.826 -9.055 -13.620 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.659 -7.516 -13.294 1.00 0.00 H new ATOM 920 N GLU A 63 -4.968 -11.024 -9.857 1.00 0.00 N ATOM 921 CA GLU A 63 -6.399 -11.401 -9.694 1.00 0.00 C ATOM 922 C GLU A 63 -6.881 -10.892 -8.308 1.00 0.00 C ATOM 923 O GLU A 63 -8.036 -10.477 -8.154 1.00 0.00 O ATOM 924 CB GLU A 63 -6.589 -12.932 -9.894 1.00 0.00 C ATOM 925 CG GLU A 63 -7.918 -13.381 -10.550 1.00 0.00 C ATOM 926 CD GLU A 63 -9.010 -13.774 -9.550 1.00 0.00 C ATOM 927 OE1 GLU A 63 -8.989 -13.275 -8.403 1.00 0.00 O ATOM 928 OE2 GLU A 63 -9.897 -14.581 -9.908 1.00 0.00 O ATOM 0 H GLU A 63 -4.372 -11.794 -10.161 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.017 -10.930 -10.459 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.765 -13.302 -10.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.508 -13.416 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.291 -12.573 -11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.719 -14.229 -11.205 1.00 0.00 H new ATOM 935 N GLU A 64 -5.978 -10.933 -7.310 1.00 0.00 N ATOM 936 CA GLU A 64 -6.303 -10.567 -5.906 1.00 0.00 C ATOM 937 C GLU A 64 -6.457 -9.024 -5.826 1.00 0.00 C ATOM 938 O GLU A 64 -7.414 -8.515 -5.230 1.00 0.00 O ATOM 939 CB GLU A 64 -5.228 -11.138 -4.936 1.00 0.00 C ATOM 940 CG GLU A 64 -5.536 -12.511 -4.294 1.00 0.00 C ATOM 941 CD GLU A 64 -5.123 -12.622 -2.823 1.00 0.00 C ATOM 942 OE1 GLU A 64 -5.176 -11.602 -2.100 1.00 0.00 O ATOM 943 OE2 GLU A 64 -4.746 -13.731 -2.382 1.00 0.00 O ATOM 0 H GLU A 64 -5.008 -11.218 -7.446 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.248 -11.011 -5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.287 -11.219 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.072 -10.415 -4.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.605 -12.706 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.026 -13.288 -4.863 1.00 0.00 H new ATOM 950 N VAL A 65 -5.507 -8.297 -6.443 1.00 0.00 N ATOM 951 CA VAL A 65 -5.473 -6.809 -6.418 1.00 0.00 C ATOM 952 C VAL A 65 -6.034 -6.308 -7.777 1.00 0.00 C ATOM 953 O VAL A 65 -5.270 -5.910 -8.666 1.00 0.00 O ATOM 954 CB VAL A 65 -4.040 -6.261 -6.083 1.00 0.00 C ATOM 955 CG1 VAL A 65 -2.925 -6.959 -6.899 1.00 0.00 C ATOM 956 CG2 VAL A 65 -3.885 -4.731 -6.269 1.00 0.00 C ATOM 0 H VAL A 65 -4.742 -8.715 -6.972 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.099 -6.420 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.927 -6.492 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.957 -6.539 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.931 -8.028 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.101 -6.802 -7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.867 -4.435 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.093 -4.468 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.586 -4.212 -5.615 1.00 0.00 H new ATOM 966 N ASP A 66 -7.372 -6.333 -7.924 1.00 0.00 N ATOM 967 CA ASP A 66 -8.059 -5.886 -9.166 1.00 0.00 C ATOM 968 C ASP A 66 -9.581 -5.765 -8.875 1.00 0.00 C ATOM 969 O ASP A 66 -10.369 -6.624 -9.287 1.00 0.00 O ATOM 970 CB ASP A 66 -7.750 -6.829 -10.364 1.00 0.00 C ATOM 971 CG ASP A 66 -6.773 -6.283 -11.419 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.699 -5.047 -11.595 1.00 0.00 O ATOM 973 OD2 ASP A 66 -6.072 -7.091 -12.069 1.00 0.00 O ATOM 0 H ASP A 66 -8.009 -6.659 -7.197 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.682 -4.907 -9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.345 -7.762 -9.971 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.689 -7.073 -10.860 1.00 0.00 H new ATOM 978 N GLU A 67 -9.963 -4.686 -8.161 1.00 0.00 N ATOM 979 CA GLU A 67 -11.390 -4.382 -7.867 1.00 0.00 C ATOM 980 C GLU A 67 -12.133 -4.182 -9.216 1.00 0.00 C ATOM 981 O GLU A 67 -13.298 -4.573 -9.359 1.00 0.00 O ATOM 982 CB GLU A 67 -11.512 -3.164 -6.905 1.00 0.00 C ATOM 983 CG GLU A 67 -11.232 -1.771 -7.516 1.00 0.00 C ATOM 984 CD GLU A 67 -9.816 -1.245 -7.257 1.00 0.00 C ATOM 985 OE1 GLU A 67 -9.591 -0.604 -6.206 1.00 0.00 O ATOM 986 OE2 GLU A 67 -8.923 -1.469 -8.104 1.00 0.00 O ATOM 0 H GLU A 67 -9.307 -4.007 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.862 -5.212 -7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.519 -3.158 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.824 -3.316 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.399 -1.818 -8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.952 -1.058 -7.113 1.00 0.00 H new ATOM 993 N ASP A 68 -11.432 -3.596 -10.205 1.00 0.00 N ATOM 994 CA ASP A 68 -11.996 -3.335 -11.556 1.00 0.00 C ATOM 995 C ASP A 68 -11.908 -4.638 -12.394 1.00 0.00 C ATOM 996 O ASP A 68 -12.898 -5.085 -12.986 1.00 0.00 O ATOM 997 CB ASP A 68 -11.296 -2.129 -12.249 1.00 0.00 C ATOM 998 CG ASP A 68 -9.815 -1.911 -11.893 1.00 0.00 C ATOM 999 OD1 ASP A 68 -8.960 -2.706 -12.343 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -9.506 -0.948 -11.157 1.00 0.00 O ATOM 0 H ASP A 68 -10.465 -3.290 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.044 -3.050 -11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.374 -2.261 -13.328 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.846 -1.222 -11.998 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.711 -5.261 -12.414 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.481 -6.532 -13.147 1.00 0.00 C ATOM 1007 C GLY A 69 -9.915 -6.240 -14.560 1.00 0.00 C ATOM 1008 O GLY A 69 -10.255 -6.927 -15.532 1.00 0.00 O ATOM 0 H GLY A 69 -9.885 -4.907 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.785 -7.160 -12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.415 -7.087 -13.229 1.00 0.00 H new ATOM 1012 N SER A 70 -9.048 -5.213 -14.654 1.00 0.00 N ATOM 1013 CA SER A 70 -8.364 -4.833 -15.918 1.00 0.00 C ATOM 1014 C SER A 70 -7.283 -5.890 -16.270 1.00 0.00 C ATOM 1015 O SER A 70 -7.106 -6.259 -17.437 1.00 0.00 O ATOM 1016 CB SER A 70 -7.772 -3.412 -15.774 1.00 0.00 C ATOM 1017 OG SER A 70 -7.123 -3.243 -14.518 1.00 0.00 O ATOM 0 H SER A 70 -8.799 -4.621 -13.861 1.00 0.00 H new ATOM 0 HA SER A 70 -9.076 -4.813 -16.743 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.061 -3.229 -16.580 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.567 -2.673 -15.877 1.00 0.00 H new ATOM 0 HG SER A 70 -7.777 -2.954 -13.848 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.577 -6.392 -15.236 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.528 -7.428 -15.411 1.00 0.00 C ATOM 1025 C GLY A 71 -4.121 -6.804 -15.221 1.00 0.00 C ATOM 1026 O GLY A 71 -3.200 -7.462 -14.720 1.00 0.00 O ATOM 0 H GLY A 71 -6.712 -6.099 -14.268 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.677 -8.232 -14.691 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.606 -7.871 -16.404 1.00 0.00 H new ATOM 1030 N THR A 72 -3.977 -5.529 -15.630 1.00 0.00 N ATOM 1031 CA THR A 72 -2.701 -4.774 -15.527 1.00 0.00 C ATOM 1032 C THR A 72 -2.758 -3.868 -14.266 1.00 0.00 C ATOM 1033 O THR A 72 -3.709 -3.944 -13.476 1.00 0.00 O ATOM 1034 CB THR A 72 -2.385 -3.974 -16.831 1.00 0.00 C ATOM 1035 OG1 THR A 72 -3.576 -3.413 -17.377 1.00 0.00 O ATOM 1036 CG2 THR A 72 -1.687 -4.782 -17.942 1.00 0.00 C ATOM 0 H THR A 72 -4.738 -4.988 -16.042 1.00 0.00 H new ATOM 0 HA THR A 72 -1.874 -5.475 -15.417 1.00 0.00 H new ATOM 0 HB THR A 72 -1.684 -3.204 -16.508 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.359 -2.914 -18.192 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.511 -4.139 -18.804 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.735 -5.162 -17.572 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.321 -5.618 -18.237 1.00 0.00 H new ATOM 1044 N ILE A 73 -1.747 -2.995 -14.103 1.00 0.00 N ATOM 1045 CA ILE A 73 -1.648 -2.055 -12.953 1.00 0.00 C ATOM 1046 C ILE A 73 -1.220 -0.685 -13.548 1.00 0.00 C ATOM 1047 O ILE A 73 -0.027 -0.361 -13.591 1.00 0.00 O ATOM 1048 CB ILE A 73 -0.705 -2.608 -11.819 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -1.291 -3.867 -11.105 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -0.338 -1.525 -10.769 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -0.285 -4.719 -10.314 1.00 0.00 C ATOM 0 H ILE A 73 -0.972 -2.915 -14.761 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.602 -1.936 -12.439 1.00 0.00 H new ATOM 0 HB ILE A 73 0.209 -2.908 -12.332 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.077 -3.541 -10.424 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.763 -4.500 -11.856 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.313 -1.959 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.178 -0.701 -11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.247 -1.153 -10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.802 -5.565 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.490 -5.085 -10.987 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.171 -4.111 -9.532 1.00 0.00 H new ATOM 1063 N ASP A 74 -2.210 0.116 -13.986 1.00 0.00 N ATOM 1064 CA ASP A 74 -1.965 1.458 -14.580 1.00 0.00 C ATOM 1065 C ASP A 74 -1.469 2.421 -13.465 1.00 0.00 C ATOM 1066 O ASP A 74 -1.583 2.123 -12.268 1.00 0.00 O ATOM 1067 CB ASP A 74 -3.225 1.997 -15.317 1.00 0.00 C ATOM 1068 CG ASP A 74 -4.053 0.955 -16.089 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -3.493 -0.090 -16.487 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -5.266 1.180 -16.297 1.00 0.00 O ATOM 0 H ASP A 74 -3.196 -0.140 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.189 1.382 -15.341 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.873 2.476 -14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.909 2.771 -16.016 1.00 0.00 H new ATOM 1075 N PHE A 75 -0.946 3.592 -13.874 1.00 0.00 N ATOM 1076 CA PHE A 75 -0.371 4.594 -12.936 1.00 0.00 C ATOM 1077 C PHE A 75 -1.500 5.106 -12.001 1.00 0.00 C ATOM 1078 O PHE A 75 -1.256 5.429 -10.833 1.00 0.00 O ATOM 1079 CB PHE A 75 0.307 5.753 -13.724 1.00 0.00 C ATOM 1080 CG PHE A 75 0.880 6.893 -12.858 1.00 0.00 C ATOM 1081 CD1 PHE A 75 2.156 6.782 -12.292 1.00 0.00 C ATOM 1082 CD2 PHE A 75 0.134 8.057 -12.641 1.00 0.00 C ATOM 1083 CE1 PHE A 75 2.680 7.823 -11.530 1.00 0.00 C ATOM 1084 CE2 PHE A 75 0.661 9.098 -11.879 1.00 0.00 C ATOM 1085 CZ PHE A 75 1.933 8.980 -11.325 1.00 0.00 C ATOM 0 H PHE A 75 -0.907 3.875 -14.853 1.00 0.00 H new ATOM 0 HA PHE A 75 0.405 4.135 -12.324 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.114 5.337 -14.327 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.422 6.176 -14.415 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.737 5.885 -12.447 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.855 8.149 -13.066 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.666 7.733 -11.098 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.083 9.996 -11.718 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.341 9.787 -10.735 1.00 0.00 H new ATOM 1095 N GLU A 76 -2.728 5.198 -12.545 1.00 0.00 N ATOM 1096 CA GLU A 76 -3.898 5.767 -11.823 1.00 0.00 C ATOM 1097 C GLU A 76 -4.307 4.811 -10.669 1.00 0.00 C ATOM 1098 O GLU A 76 -4.798 5.258 -9.625 1.00 0.00 O ATOM 1099 CB GLU A 76 -5.072 6.059 -12.803 1.00 0.00 C ATOM 1100 CG GLU A 76 -5.096 5.289 -14.147 1.00 0.00 C ATOM 1101 CD GLU A 76 -4.712 6.136 -15.365 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -5.393 7.149 -15.637 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -3.728 5.790 -16.056 1.00 0.00 O ATOM 0 H GLU A 76 -2.944 4.884 -13.491 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.625 6.726 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.005 5.850 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.064 7.126 -13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.414 4.441 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.096 4.883 -14.302 1.00 0.00 H new ATOM 1110 N GLU A 77 -4.125 3.496 -10.890 1.00 0.00 N ATOM 1111 CA GLU A 77 -4.508 2.438 -9.918 1.00 0.00 C ATOM 1112 C GLU A 77 -3.471 2.393 -8.763 1.00 0.00 C ATOM 1113 O GLU A 77 -3.836 2.217 -7.594 1.00 0.00 O ATOM 1114 CB GLU A 77 -4.656 1.050 -10.608 1.00 0.00 C ATOM 1115 CG GLU A 77 -5.365 -0.055 -9.790 1.00 0.00 C ATOM 1116 CD GLU A 77 -5.933 -1.177 -10.661 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -6.255 -0.923 -11.843 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -6.058 -2.321 -10.170 1.00 0.00 O ATOM 0 H GLU A 77 -3.708 3.130 -11.746 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.485 2.684 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.204 1.189 -11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.661 0.693 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.659 -0.480 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.173 0.392 -9.211 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.180 2.547 -9.110 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.063 2.520 -8.129 1.00 0.00 C ATOM 1127 C PHE A 78 -1.232 3.707 -7.142 1.00 0.00 C ATOM 1128 O PHE A 78 -0.870 3.606 -5.964 1.00 0.00 O ATOM 1129 CB PHE A 78 0.311 2.549 -8.867 1.00 0.00 C ATOM 1130 CG PHE A 78 1.534 2.182 -8.002 1.00 0.00 C ATOM 1131 CD1 PHE A 78 1.387 1.382 -6.863 1.00 0.00 C ATOM 1132 CD2 PHE A 78 2.814 2.605 -8.380 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.507 0.985 -6.134 1.00 0.00 C ATOM 1134 CE2 PHE A 78 3.931 2.209 -7.649 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.777 1.397 -6.529 1.00 0.00 C ATOM 0 H PHE A 78 -1.875 2.693 -10.072 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.087 1.594 -7.554 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.265 1.862 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.463 3.548 -9.277 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.402 1.071 -6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.936 3.242 -9.244 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.390 0.358 -5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.916 2.532 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.644 1.086 -5.965 1.00 0.00 H new ATOM 1145 N LEU A 79 -1.761 4.836 -7.649 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.888 6.096 -6.869 1.00 0.00 C ATOM 1147 C LEU A 79 -3.077 5.942 -5.881 1.00 0.00 C ATOM 1148 O LEU A 79 -3.057 6.506 -4.780 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.079 7.319 -7.816 1.00 0.00 C ATOM 1150 CG LEU A 79 -0.803 7.928 -8.468 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -1.135 8.927 -9.595 1.00 0.00 C ATOM 1152 CD2 LEU A 79 0.093 8.608 -7.412 1.00 0.00 C ATOM 0 H LEU A 79 -2.112 4.908 -8.604 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.974 6.280 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.757 7.022 -8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.577 8.107 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.260 7.094 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.210 9.322 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.701 8.419 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.729 9.747 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.976 9.024 -7.897 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.463 9.408 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.400 7.873 -6.668 1.00 0.00 H new ATOM 1164 N VAL A 80 -4.118 5.199 -6.302 1.00 0.00 N ATOM 1165 CA VAL A 80 -5.336 4.960 -5.481 1.00 0.00 C ATOM 1166 C VAL A 80 -4.906 4.146 -4.230 1.00 0.00 C ATOM 1167 O VAL A 80 -5.381 4.408 -3.117 1.00 0.00 O ATOM 1168 CB VAL A 80 -6.480 4.282 -6.315 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -6.567 2.745 -6.142 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -7.876 4.878 -6.014 1.00 0.00 C ATOM 0 H VAL A 80 -4.146 4.746 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.771 5.904 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.198 4.497 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.383 2.356 -6.752 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.628 2.290 -6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.751 2.507 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.627 4.370 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.109 4.743 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.877 5.942 -6.252 1.00 0.00 H new ATOM 1180 N MET A 81 -3.985 3.185 -4.425 1.00 0.00 N ATOM 1181 CA MET A 81 -3.472 2.310 -3.336 1.00 0.00 C ATOM 1182 C MET A 81 -2.869 3.217 -2.229 1.00 0.00 C ATOM 1183 O MET A 81 -3.420 3.320 -1.127 1.00 0.00 O ATOM 1184 CB MET A 81 -2.440 1.279 -3.875 1.00 0.00 C ATOM 1185 CG MET A 81 -3.022 -0.059 -4.370 1.00 0.00 C ATOM 1186 SD MET A 81 -2.109 -0.633 -5.819 1.00 0.00 S ATOM 1187 CE MET A 81 -3.432 -1.370 -6.802 1.00 0.00 C ATOM 0 H MET A 81 -3.572 2.987 -5.336 1.00 0.00 H new ATOM 0 HA MET A 81 -4.288 1.723 -2.914 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.890 1.740 -4.696 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.718 1.069 -3.085 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.967 -0.804 -3.577 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.076 0.064 -4.619 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.001 -1.921 -7.638 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.012 -2.051 -6.179 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.083 -0.584 -7.183 1.00 0.00 H new ATOM 1197 N MET A 82 -1.714 3.841 -2.532 1.00 0.00 N ATOM 1198 CA MET A 82 -0.949 4.650 -1.545 1.00 0.00 C ATOM 1199 C MET A 82 -1.885 5.701 -0.887 1.00 0.00 C ATOM 1200 O MET A 82 -1.691 6.075 0.276 1.00 0.00 O ATOM 1201 CB MET A 82 0.278 5.310 -2.236 1.00 0.00 C ATOM 1202 CG MET A 82 1.583 4.491 -2.203 1.00 0.00 C ATOM 1203 SD MET A 82 2.682 5.074 -0.891 1.00 0.00 S ATOM 1204 CE MET A 82 2.393 3.848 0.401 1.00 0.00 C ATOM 0 H MET A 82 -1.283 3.804 -3.456 1.00 0.00 H new ATOM 0 HA MET A 82 -0.570 4.005 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.022 5.510 -3.277 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.463 6.274 -1.763 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.351 3.437 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.088 4.567 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.007 4.084 1.270 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.341 3.860 0.685 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.657 2.858 0.029 1.00 0.00 H new ATOM 1214 N VAL A 83 -2.876 6.190 -1.656 1.00 0.00 N ATOM 1215 CA VAL A 83 -3.784 7.286 -1.222 1.00 0.00 C ATOM 1216 C VAL A 83 -4.540 6.800 0.044 1.00 0.00 C ATOM 1217 O VAL A 83 -4.551 7.484 1.077 1.00 0.00 O ATOM 1218 CB VAL A 83 -4.734 7.757 -2.382 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -6.211 7.875 -1.935 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -4.321 9.099 -3.035 1.00 0.00 C ATOM 0 H VAL A 83 -3.075 5.842 -2.594 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.212 8.178 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.632 6.967 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.821 8.204 -2.777 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.565 6.904 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.289 8.600 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.028 9.352 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.323 9.886 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.321 9.005 -3.459 1.00 0.00 H new ATOM 1230 N ARG A 84 -5.196 5.629 -0.061 1.00 0.00 N ATOM 1231 CA ARG A 84 -6.067 5.074 1.010 1.00 0.00 C ATOM 1232 C ARG A 84 -5.286 5.112 2.351 1.00 0.00 C ATOM 1233 O ARG A 84 -5.788 5.627 3.359 1.00 0.00 O ATOM 1234 CB ARG A 84 -6.511 3.626 0.655 1.00 0.00 C ATOM 1235 CG ARG A 84 -8.034 3.439 0.460 1.00 0.00 C ATOM 1236 CD ARG A 84 -8.387 2.107 -0.230 1.00 0.00 C ATOM 1237 NE ARG A 84 -8.418 2.243 -1.708 1.00 0.00 N ATOM 1238 CZ ARG A 84 -8.122 1.254 -2.575 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -7.266 0.294 -2.251 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -8.711 1.185 -3.761 1.00 0.00 N ATOM 0 H ARG A 84 -5.142 5.035 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.972 5.675 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.003 3.320 -0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.176 2.955 1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.528 3.483 1.430 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.424 4.266 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.657 1.348 0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.358 1.761 0.124 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.682 3.149 -2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.820 0.296 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.054 -0.447 -2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.400 1.887 -4.030 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.475 0.430 -4.405 1.00 0.00 H new ATOM 1254 N GLN A 85 -4.070 4.536 2.356 1.00 0.00 N ATOM 1255 CA GLN A 85 -3.247 4.384 3.586 1.00 0.00 C ATOM 1256 C GLN A 85 -2.933 5.796 4.152 1.00 0.00 C ATOM 1257 O GLN A 85 -2.907 5.992 5.374 1.00 0.00 O ATOM 1258 CB GLN A 85 -1.959 3.569 3.273 1.00 0.00 C ATOM 1259 CG GLN A 85 -2.014 2.055 3.594 1.00 0.00 C ATOM 1260 CD GLN A 85 -0.974 1.583 4.624 1.00 0.00 C ATOM 1261 OE1 GLN A 85 -0.320 0.556 4.447 1.00 0.00 O ATOM 1262 NE2 GLN A 85 -0.801 2.311 5.718 1.00 0.00 N ATOM 0 H GLN A 85 -3.626 4.163 1.517 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.793 3.826 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -1.728 3.687 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -1.132 4.008 3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.010 1.811 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -1.871 1.495 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -1.347 3.161 5.857 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -0.121 2.021 6.421 1.00 0.00 H new ATOM 1271 N MET A 86 -2.701 6.765 3.247 1.00 0.00 N ATOM 1272 CA MET A 86 -2.282 8.142 3.620 1.00 0.00 C ATOM 1273 C MET A 86 -3.402 8.765 4.497 1.00 0.00 C ATOM 1274 O MET A 86 -3.120 9.460 5.480 1.00 0.00 O ATOM 1275 CB MET A 86 -1.973 9.002 2.361 1.00 0.00 C ATOM 1276 CG MET A 86 -0.507 9.449 2.198 1.00 0.00 C ATOM 1277 SD MET A 86 -0.439 11.200 1.761 1.00 0.00 S ATOM 1278 CE MET A 86 -1.050 11.165 0.063 1.00 0.00 C ATOM 0 H MET A 86 -2.796 6.624 2.241 1.00 0.00 H new ATOM 0 HA MET A 86 -1.354 8.110 4.191 1.00 0.00 H new ATOM 0 HB2 MET A 86 -2.260 8.434 1.476 1.00 0.00 H new ATOM 0 HB3 MET A 86 -2.603 9.891 2.388 1.00 0.00 H new ATOM 0 HG2 MET A 86 0.040 9.276 3.125 1.00 0.00 H new ATOM 0 HG3 MET A 86 -0.021 8.854 1.425 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.300 12.177 -0.255 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.280 10.759 -0.593 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.940 10.538 0.009 1.00 0.00 H new ATOM 1288 N LYS A 87 -4.668 8.505 4.122 1.00 0.00 N ATOM 1289 CA LYS A 87 -5.856 9.110 4.781 1.00 0.00 C ATOM 1290 C LYS A 87 -5.755 8.850 6.309 1.00 0.00 C ATOM 1291 O LYS A 87 -5.072 7.916 6.747 1.00 0.00 O ATOM 1292 CB LYS A 87 -7.188 8.525 4.232 1.00 0.00 C ATOM 1293 CG LYS A 87 -7.802 9.283 3.032 1.00 0.00 C ATOM 1294 CD LYS A 87 -8.773 10.422 3.406 1.00 0.00 C ATOM 1295 CE LYS A 87 -9.640 10.943 2.242 1.00 0.00 C ATOM 1296 NZ LYS A 87 -10.697 9.981 1.884 1.00 0.00 N ATOM 0 H LYS A 87 -4.903 7.873 3.357 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.864 10.179 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.016 7.490 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.918 8.508 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.993 9.699 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.331 8.568 2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.431 10.073 4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.196 11.254 3.811 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.092 11.895 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.009 11.132 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.262 10.362 1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.264 9.081 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.313 9.820 2.706 1.00 0.00 H new