USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 657 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 10 LYS NZ :NH3+ 151:sc= 0.846 (180deg=0.465) USER MOD Set 1.2: A 23 HIS : no HD1:sc= -0.254 K(o=0.59,f=-2.4) USER MOD Single : A 5 ASN : amide:sc= -0.0352 K(o=-0.035,f=-1.3!) USER MOD Single : A 8 ASN : amide:sc= 0.671 K(o=0.67,f=-1) USER MOD Single : A 9 CYS SG : rot 180:sc= -0.545 USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.0824) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.0887 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0.955 (180deg=0.924) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0604 K(o=-0.06,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.436 86.689 38.812 1.00 0.00 N ATOM 2 CA VAL A 4 13.992 86.972 38.997 1.00 0.00 C ATOM 3 C VAL A 4 13.778 88.401 39.467 1.00 0.00 C ATOM 4 O VAL A 4 14.578 88.914 40.249 1.00 0.00 O ATOM 5 CB VAL A 4 13.292 85.950 39.924 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.753 86.013 41.391 1.00 0.00 C ATOM 7 CG2 VAL A 4 11.771 86.088 39.911 1.00 0.00 C ATOM 0 HA VAL A 4 13.519 86.861 38.021 1.00 0.00 H new ATOM 0 HB VAL A 4 13.588 84.989 39.504 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.215 85.265 41.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.823 85.814 41.445 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.548 87.004 41.795 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.333 85.346 40.579 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.493 87.087 40.246 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.400 85.929 38.899 1.00 0.00 H new ATOM 17 N ASN A 5 12.689 89.017 38.998 1.00 0.00 N ATOM 18 CA ASN A 5 12.207 90.376 39.261 1.00 0.00 C ATOM 19 C ASN A 5 13.185 91.493 38.841 1.00 0.00 C ATOM 20 O ASN A 5 12.895 92.214 37.892 1.00 0.00 O ATOM 21 CB ASN A 5 11.673 90.489 40.705 1.00 0.00 C ATOM 22 CG ASN A 5 10.786 91.704 40.908 1.00 0.00 C ATOM 23 OD1 ASN A 5 10.244 92.273 39.963 1.00 0.00 O ATOM 24 ND2 ASN A 5 10.590 92.132 42.117 1.00 0.00 N ATOM 0 H ASN A 5 12.060 88.527 38.361 1.00 0.00 H new ATOM 0 HA ASN A 5 11.361 90.554 38.597 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.111 89.588 40.952 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.514 90.539 41.396 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.988 92.939 42.281 1.00 0.00 H new ATOM 0 HD22 ASN A 5 11.038 91.662 42.903 1.00 0.00 H new ATOM 31 N GLU A 6 14.338 91.618 39.507 1.00 0.00 N ATOM 32 CA GLU A 6 15.400 92.591 39.199 1.00 0.00 C ATOM 33 C GLU A 6 16.791 91.915 39.142 1.00 0.00 C ATOM 34 O GLU A 6 17.489 92.061 38.134 1.00 0.00 O ATOM 35 CB GLU A 6 15.345 93.781 40.175 1.00 0.00 C ATOM 36 CG GLU A 6 15.581 93.438 41.658 1.00 0.00 C ATOM 37 CD GLU A 6 15.202 94.612 42.579 1.00 0.00 C ATOM 38 OE1 GLU A 6 16.039 95.509 42.824 1.00 0.00 O ATOM 39 OE2 GLU A 6 14.043 94.632 43.077 1.00 0.00 O ATOM 0 H GLU A 6 14.569 91.025 40.304 1.00 0.00 H new ATOM 0 HA GLU A 6 15.224 92.993 38.201 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.090 94.515 39.867 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.370 94.259 40.082 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.994 92.560 41.927 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.629 93.179 41.810 1.00 0.00 H new ATOM 46 N ALA A 7 17.095 91.068 40.123 1.00 0.00 N ATOM 47 CA ALA A 7 18.354 90.335 40.348 1.00 0.00 C ATOM 48 C ALA A 7 19.602 91.187 40.646 1.00 0.00 C ATOM 49 O ALA A 7 20.019 92.036 39.856 1.00 0.00 O ATOM 50 CB ALA A 7 18.579 89.294 39.242 1.00 0.00 C ATOM 0 H ALA A 7 16.411 90.853 40.849 1.00 0.00 H new ATOM 0 HA ALA A 7 18.211 89.816 41.296 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.513 88.764 39.426 1.00 0.00 H new ATOM 0 HB2 ALA A 7 17.753 88.583 39.238 1.00 0.00 H new ATOM 0 HB3 ALA A 7 18.631 89.795 38.276 1.00 0.00 H new ATOM 56 N ASN A 8 20.263 90.838 41.758 1.00 0.00 N ATOM 57 CA ASN A 8 21.537 91.384 42.228 1.00 0.00 C ATOM 58 C ASN A 8 22.450 90.216 42.665 1.00 0.00 C ATOM 59 O ASN A 8 23.174 89.637 41.849 1.00 0.00 O ATOM 60 CB ASN A 8 21.316 92.377 43.389 1.00 0.00 C ATOM 61 CG ASN A 8 20.876 93.778 42.992 1.00 0.00 C ATOM 62 OD1 ASN A 8 19.920 93.986 42.268 1.00 0.00 O ATOM 63 ND2 ASN A 8 21.549 94.769 43.518 1.00 0.00 N ATOM 0 H ASN A 8 19.898 90.124 42.389 1.00 0.00 H new ATOM 0 HA ASN A 8 22.017 91.935 41.419 1.00 0.00 H new ATOM 0 HB2 ASN A 8 20.567 91.959 44.061 1.00 0.00 H new ATOM 0 HB3 ASN A 8 22.244 92.456 43.955 1.00 0.00 H new ATOM 0 HD21 ASN A 8 21.275 95.732 43.323 1.00 0.00 H new ATOM 0 HD22 ASN A 8 22.348 94.579 44.123 1.00 0.00 H new ATOM 70 N CYS A 9 22.378 89.820 43.939 1.00 0.00 N ATOM 71 CA CYS A 9 23.217 88.804 44.577 1.00 0.00 C ATOM 72 C CYS A 9 22.768 87.382 44.193 1.00 0.00 C ATOM 73 O CYS A 9 22.277 86.654 45.066 1.00 0.00 O ATOM 74 CB CYS A 9 23.221 89.019 46.101 1.00 0.00 C ATOM 75 SG CYS A 9 23.534 90.756 46.488 1.00 0.00 S ATOM 0 H CYS A 9 21.698 90.220 44.585 1.00 0.00 H new ATOM 0 HA CYS A 9 24.240 88.910 44.215 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.263 88.713 46.521 1.00 0.00 H new ATOM 0 HB3 CYS A 9 23.986 88.393 46.561 1.00 0.00 H new ATOM 0 HG CYS A 9 23.532 90.920 47.778 1.00 0.00 H new ATOM 81 N LYS A 10 22.858 87.023 42.908 1.00 0.00 N ATOM 82 CA LYS A 10 22.702 85.672 42.310 1.00 0.00 C ATOM 83 C LYS A 10 21.857 84.709 43.166 1.00 0.00 C ATOM 84 O LYS A 10 22.372 83.829 43.858 1.00 0.00 O ATOM 85 CB LYS A 10 24.091 85.100 41.966 1.00 0.00 C ATOM 86 CG LYS A 10 24.765 85.689 40.711 1.00 0.00 C ATOM 87 CD LYS A 10 25.977 86.606 40.945 1.00 0.00 C ATOM 88 CE LYS A 10 25.589 88.065 41.148 1.00 0.00 C ATOM 89 NZ LYS A 10 26.781 88.937 41.285 1.00 0.00 N ATOM 0 H LYS A 10 23.058 87.720 42.191 1.00 0.00 H new ATOM 0 HA LYS A 10 22.128 85.781 41.390 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.751 85.260 42.819 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.997 84.022 41.833 1.00 0.00 H new ATOM 0 HG2 LYS A 10 25.081 84.862 40.075 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.015 86.251 40.154 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.526 86.257 41.819 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.653 86.531 40.093 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.987 88.402 40.304 1.00 0.00 H new ATOM 0 HE3 LYS A 10 24.968 88.156 42.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.555 89.891 40.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.060 88.990 42.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.565 88.543 40.728 1.00 0.00 H new ATOM 103 N ALA A 11 20.546 84.921 43.130 1.00 0.00 N ATOM 104 CA ALA A 11 19.499 84.148 43.821 1.00 0.00 C ATOM 105 C ALA A 11 19.585 84.051 45.364 1.00 0.00 C ATOM 106 O ALA A 11 18.713 83.427 45.966 1.00 0.00 O ATOM 107 CB ALA A 11 19.349 82.775 43.135 1.00 0.00 C ATOM 0 H ALA A 11 20.152 85.686 42.583 1.00 0.00 H new ATOM 0 HA ALA A 11 18.586 84.733 43.708 1.00 0.00 H new ATOM 0 HB1 ALA A 11 18.576 82.198 43.642 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.070 82.918 42.091 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.296 82.237 43.187 1.00 0.00 H new ATOM 113 N ALA A 12 20.546 84.668 46.044 1.00 0.00 N ATOM 114 CA ALA A 12 20.536 84.805 47.502 1.00 0.00 C ATOM 115 C ALA A 12 19.602 85.948 47.966 1.00 0.00 C ATOM 116 O ALA A 12 18.869 85.793 48.938 1.00 0.00 O ATOM 117 CB ALA A 12 21.974 85.003 48.003 1.00 0.00 C ATOM 0 H ALA A 12 21.360 85.091 45.599 1.00 0.00 H new ATOM 0 HA ALA A 12 20.135 83.890 47.939 1.00 0.00 H new ATOM 0 HB1 ALA A 12 21.970 85.105 49.088 1.00 0.00 H new ATOM 0 HB2 ALA A 12 22.579 84.141 47.722 1.00 0.00 H new ATOM 0 HB3 ALA A 12 22.395 85.903 47.555 1.00 0.00 H new ATOM 123 N MET A 13 19.577 87.059 47.212 1.00 0.00 N ATOM 124 CA MET A 13 18.994 88.358 47.628 1.00 0.00 C ATOM 125 C MET A 13 17.521 88.328 48.093 1.00 0.00 C ATOM 126 O MET A 13 17.144 89.167 48.907 1.00 0.00 O ATOM 127 CB MET A 13 19.129 89.387 46.483 1.00 0.00 C ATOM 128 CG MET A 13 18.368 89.001 45.208 1.00 0.00 C ATOM 129 SD MET A 13 18.075 90.359 44.042 1.00 0.00 S ATOM 130 CE MET A 13 16.815 91.326 44.919 1.00 0.00 C ATOM 0 H MET A 13 19.970 87.086 46.271 1.00 0.00 H new ATOM 0 HA MET A 13 19.572 88.638 48.509 1.00 0.00 H new ATOM 0 HB2 MET A 13 18.767 90.354 46.832 1.00 0.00 H new ATOM 0 HB3 MET A 13 20.185 89.510 46.241 1.00 0.00 H new ATOM 0 HG2 MET A 13 18.925 88.217 44.695 1.00 0.00 H new ATOM 0 HG3 MET A 13 17.406 88.574 45.493 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.398 92.076 44.246 1.00 0.00 H new ATOM 0 HE2 MET A 13 16.020 90.663 45.261 1.00 0.00 H new ATOM 0 HE3 MET A 13 17.269 91.821 45.778 1.00 0.00 H new ATOM 140 N GLU A 14 16.707 87.408 47.585 1.00 0.00 N ATOM 141 CA GLU A 14 15.275 87.271 47.906 1.00 0.00 C ATOM 142 C GLU A 14 14.986 86.035 48.781 1.00 0.00 C ATOM 143 O GLU A 14 13.881 85.846 49.298 1.00 0.00 O ATOM 144 CB GLU A 14 14.496 87.240 46.573 1.00 0.00 C ATOM 145 CG GLU A 14 12.966 87.287 46.653 1.00 0.00 C ATOM 146 CD GLU A 14 12.433 88.627 47.184 1.00 0.00 C ATOM 147 OE1 GLU A 14 12.717 88.990 48.347 1.00 0.00 O ATOM 148 OE2 GLU A 14 11.709 89.319 46.426 1.00 0.00 O ATOM 0 H GLU A 14 17.029 86.710 46.915 1.00 0.00 H new ATOM 0 HA GLU A 14 14.949 88.121 48.505 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.828 88.084 45.968 1.00 0.00 H new ATOM 0 HB3 GLU A 14 14.778 86.333 46.038 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.550 87.104 45.662 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.617 86.482 47.299 1.00 0.00 H new ATOM 155 N ILE A 15 15.986 85.180 48.969 1.00 0.00 N ATOM 156 CA ILE A 15 15.850 83.825 49.514 1.00 0.00 C ATOM 157 C ILE A 15 16.356 83.741 50.962 1.00 0.00 C ATOM 158 O ILE A 15 15.688 83.143 51.803 1.00 0.00 O ATOM 159 CB ILE A 15 16.556 82.838 48.553 1.00 0.00 C ATOM 160 CG1 ILE A 15 15.951 82.862 47.124 1.00 0.00 C ATOM 161 CG2 ILE A 15 16.562 81.393 49.083 1.00 0.00 C ATOM 162 CD1 ILE A 15 14.445 82.594 47.014 1.00 0.00 C ATOM 0 H ILE A 15 16.951 85.416 48.739 1.00 0.00 H new ATOM 0 HA ILE A 15 14.798 83.548 49.574 1.00 0.00 H new ATOM 0 HB ILE A 15 17.587 83.188 48.499 1.00 0.00 H new ATOM 0 HG12 ILE A 15 16.157 83.837 46.683 1.00 0.00 H new ATOM 0 HG13 ILE A 15 16.474 82.121 46.519 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.070 80.745 48.368 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.084 81.358 50.039 1.00 0.00 H new ATOM 0 HG23 ILE A 15 15.536 81.051 49.218 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.143 82.638 45.968 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.221 81.606 47.415 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.899 83.348 47.581 1.00 0.00 H new ATOM 174 N VAL A 16 17.487 84.385 51.268 1.00 0.00 N ATOM 175 CA VAL A 16 18.164 84.345 52.579 1.00 0.00 C ATOM 176 C VAL A 16 18.290 85.766 53.134 1.00 0.00 C ATOM 177 O VAL A 16 18.936 86.604 52.513 1.00 0.00 O ATOM 178 CB VAL A 16 19.541 83.669 52.478 1.00 0.00 C ATOM 179 CG1 VAL A 16 20.215 83.541 53.852 1.00 0.00 C ATOM 180 CG2 VAL A 16 19.428 82.250 51.894 1.00 0.00 C ATOM 0 H VAL A 16 17.977 84.970 50.591 1.00 0.00 H new ATOM 0 HA VAL A 16 17.562 83.748 53.264 1.00 0.00 H new ATOM 0 HB VAL A 16 20.138 84.306 51.825 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.186 83.058 53.738 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.351 84.532 54.284 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.587 82.941 54.511 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.419 81.800 51.836 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.791 81.642 52.536 1.00 0.00 H new ATOM 0 HG23 VAL A 16 18.994 82.301 50.895 1.00 0.00 H new ATOM 190 N CYS A 17 17.678 86.034 54.297 1.00 0.00 N ATOM 191 CA CYS A 17 17.679 87.284 55.090 1.00 0.00 C ATOM 192 C CYS A 17 17.099 88.562 54.425 1.00 0.00 C ATOM 193 O CYS A 17 16.396 89.339 55.082 1.00 0.00 O ATOM 194 CB CYS A 17 19.082 87.492 55.677 1.00 0.00 C ATOM 195 SG CYS A 17 18.966 88.385 57.246 1.00 0.00 S ATOM 0 H CYS A 17 17.115 85.317 54.754 1.00 0.00 H new ATOM 0 HA CYS A 17 16.945 87.129 55.881 1.00 0.00 H new ATOM 0 HB2 CYS A 17 19.568 86.528 55.832 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.700 88.051 54.975 1.00 0.00 H new ATOM 0 HG CYS A 17 20.157 88.555 57.737 1.00 0.00 H new ATOM 201 N ARG A 18 17.325 88.739 53.117 1.00 0.00 N ATOM 202 CA ARG A 18 16.887 89.788 52.178 1.00 0.00 C ATOM 203 C ARG A 18 17.292 91.228 52.517 1.00 0.00 C ATOM 204 O ARG A 18 16.959 91.770 53.579 1.00 0.00 O ATOM 205 CB ARG A 18 15.388 89.704 51.815 1.00 0.00 C ATOM 206 CG ARG A 18 14.864 88.326 51.367 1.00 0.00 C ATOM 207 CD ARG A 18 14.579 87.366 52.522 1.00 0.00 C ATOM 208 NE ARG A 18 13.356 86.574 52.297 1.00 0.00 N ATOM 209 CZ ARG A 18 12.519 86.145 53.223 1.00 0.00 C ATOM 210 NH1 ARG A 18 12.798 86.216 54.498 1.00 0.00 N ATOM 211 NH2 ARG A 18 11.379 85.625 52.916 1.00 0.00 N ATOM 0 H ARG A 18 17.899 88.056 52.622 1.00 0.00 H new ATOM 0 HA ARG A 18 17.470 89.542 51.291 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.809 90.024 52.681 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.190 90.420 51.017 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.950 88.466 50.790 1.00 0.00 H new ATOM 0 HG3 ARG A 18 15.595 87.869 50.700 1.00 0.00 H new ATOM 0 HD2 ARG A 18 15.427 86.693 52.651 1.00 0.00 H new ATOM 0 HD3 ARG A 18 14.478 87.933 53.447 1.00 0.00 H new ATOM 0 HE ARG A 18 13.135 86.334 51.331 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.686 86.613 54.804 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.127 85.875 55.187 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.105 85.537 51.937 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.751 85.302 53.652 1.00 0.00 H new ATOM 225 N ARG A 19 17.958 91.865 51.541 1.00 0.00 N ATOM 226 CA ARG A 19 18.213 93.316 51.412 1.00 0.00 C ATOM 227 C ARG A 19 18.200 93.676 49.922 1.00 0.00 C ATOM 228 O ARG A 19 17.212 93.410 49.246 1.00 0.00 O ATOM 229 CB ARG A 19 19.513 93.746 52.156 1.00 0.00 C ATOM 230 CG ARG A 19 19.391 93.874 53.681 1.00 0.00 C ATOM 231 CD ARG A 19 18.332 94.908 54.096 1.00 0.00 C ATOM 232 NE ARG A 19 18.289 95.074 55.552 1.00 0.00 N ATOM 233 CZ ARG A 19 17.521 94.415 56.411 1.00 0.00 C ATOM 234 NH1 ARG A 19 16.685 93.489 56.047 1.00 0.00 N ATOM 235 NH2 ARG A 19 17.582 94.719 57.664 1.00 0.00 N ATOM 0 H ARG A 19 18.364 91.345 50.763 1.00 0.00 H new ATOM 0 HA ARG A 19 17.424 93.884 51.904 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.296 93.021 51.931 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.841 94.705 51.754 1.00 0.00 H new ATOM 0 HG2 ARG A 19 19.134 92.904 54.106 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.357 94.159 54.098 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.553 95.866 53.625 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.353 94.593 53.735 1.00 0.00 H new ATOM 0 HE ARG A 19 18.918 95.772 55.948 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.597 93.240 55.062 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.117 93.011 56.746 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.213 95.455 57.980 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.999 94.223 58.338 1.00 0.00 H new ATOM 249 N GLU A 20 19.267 94.313 49.426 1.00 0.00 N ATOM 250 CA GLU A 20 19.460 94.863 48.084 1.00 0.00 C ATOM 251 C GLU A 20 20.970 95.159 47.895 1.00 0.00 C ATOM 252 O GLU A 20 21.782 94.817 48.761 1.00 0.00 O ATOM 253 CB GLU A 20 18.583 96.135 47.941 1.00 0.00 C ATOM 254 CG GLU A 20 17.393 95.877 46.998 1.00 0.00 C ATOM 255 CD GLU A 20 16.242 96.880 47.175 1.00 0.00 C ATOM 256 OE1 GLU A 20 16.401 97.927 47.837 1.00 0.00 O ATOM 257 OE2 GLU A 20 15.142 96.620 46.624 1.00 0.00 O ATOM 0 H GLU A 20 20.090 94.469 50.008 1.00 0.00 H new ATOM 0 HA GLU A 20 19.154 94.162 47.307 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.216 96.441 48.921 1.00 0.00 H new ATOM 0 HB3 GLU A 20 19.187 96.957 47.555 1.00 0.00 H new ATOM 0 HG2 GLU A 20 17.742 95.915 45.966 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.016 94.869 47.170 1.00 0.00 H new ATOM 264 N PHE A 21 21.367 95.770 46.774 1.00 0.00 N ATOM 265 CA PHE A 21 22.772 96.047 46.435 1.00 0.00 C ATOM 266 C PHE A 21 23.628 94.772 46.449 1.00 0.00 C ATOM 267 O PHE A 21 23.327 93.881 45.650 1.00 0.00 O ATOM 268 CB PHE A 21 23.291 97.258 47.247 1.00 0.00 C ATOM 269 CG PHE A 21 24.249 98.153 46.479 1.00 0.00 C ATOM 270 CD1 PHE A 21 25.404 97.637 45.851 1.00 0.00 C ATOM 271 CD2 PHE A 21 23.959 99.528 46.365 1.00 0.00 C ATOM 272 CE1 PHE A 21 26.259 98.478 45.130 1.00 0.00 C ATOM 273 CE2 PHE A 21 24.815 100.367 45.635 1.00 0.00 C ATOM 274 CZ PHE A 21 25.957 99.854 45.024 1.00 0.00 C ATOM 0 H PHE A 21 20.711 96.093 46.062 1.00 0.00 H new ATOM 0 HA PHE A 21 22.856 96.368 45.397 1.00 0.00 H new ATOM 0 HB2 PHE A 21 22.439 97.853 47.577 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.791 96.893 48.144 1.00 0.00 H new ATOM 0 HD1 PHE A 21 25.629 96.584 45.928 1.00 0.00 H new ATOM 0 HD2 PHE A 21 23.078 99.935 46.839 1.00 0.00 H new ATOM 0 HE1 PHE A 21 27.144 98.078 44.658 1.00 0.00 H new ATOM 0 HE2 PHE A 21 24.587 101.419 45.546 1.00 0.00 H new ATOM 0 HZ PHE A 21 26.612 100.509 44.469 1.00 0.00 H new ATOM 284 N GLY A 22 24.661 94.658 47.288 1.00 0.00 N ATOM 285 CA GLY A 22 25.516 93.475 47.466 1.00 0.00 C ATOM 286 C GLY A 22 26.205 92.958 46.200 1.00 0.00 C ATOM 287 O GLY A 22 26.236 93.641 45.173 1.00 0.00 O ATOM 0 H GLY A 22 24.941 95.428 47.895 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.282 93.711 48.204 1.00 0.00 H new ATOM 0 HA3 GLY A 22 24.910 92.670 47.882 1.00 0.00 H new ATOM 291 N HIS A 23 26.767 91.734 46.254 1.00 0.00 N ATOM 292 CA HIS A 23 27.344 91.083 45.052 1.00 0.00 C ATOM 293 C HIS A 23 27.440 89.546 45.119 1.00 0.00 C ATOM 294 O HIS A 23 27.186 88.893 44.105 1.00 0.00 O ATOM 295 CB HIS A 23 28.716 91.708 44.749 1.00 0.00 C ATOM 296 CG HIS A 23 29.113 91.718 43.282 1.00 0.00 C ATOM 297 ND1 HIS A 23 28.310 91.289 42.219 1.00 0.00 N ATOM 298 CD2 HIS A 23 30.248 92.262 42.778 1.00 0.00 C ATOM 299 CE1 HIS A 23 28.996 91.571 41.103 1.00 0.00 C ATOM 300 NE2 HIS A 23 30.160 92.165 41.408 1.00 0.00 N ATOM 0 H HIS A 23 26.835 91.178 47.106 1.00 0.00 H new ATOM 0 HA HIS A 23 26.643 91.271 44.239 1.00 0.00 H new ATOM 0 HB2 HIS A 23 28.719 92.734 45.117 1.00 0.00 H new ATOM 0 HB3 HIS A 23 29.476 91.166 45.311 1.00 0.00 H new ATOM 0 HD2 HIS A 23 31.064 92.689 43.343 1.00 0.00 H new ATOM 0 HE1 HIS A 23 28.660 91.351 40.100 1.00 0.00 H new ATOM 0 HE2 HIS A 23 30.859 92.489 40.740 1.00 0.00 H new ATOM 308 N LYS A 24 27.800 88.949 46.269 1.00 0.00 N ATOM 309 CA LYS A 24 27.959 87.491 46.474 1.00 0.00 C ATOM 310 C LYS A 24 27.267 86.968 47.751 1.00 0.00 C ATOM 311 O LYS A 24 26.156 86.465 47.633 1.00 0.00 O ATOM 312 CB LYS A 24 29.435 87.026 46.422 1.00 0.00 C ATOM 313 CG LYS A 24 30.124 87.017 45.043 1.00 0.00 C ATOM 314 CD LYS A 24 30.697 88.338 44.511 1.00 0.00 C ATOM 315 CE LYS A 24 31.408 89.202 45.556 1.00 0.00 C ATOM 316 NZ LYS A 24 32.591 88.540 46.159 1.00 0.00 N ATOM 0 H LYS A 24 27.996 89.485 47.114 1.00 0.00 H new ATOM 0 HA LYS A 24 27.443 87.043 45.624 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.015 87.668 47.085 1.00 0.00 H new ATOM 0 HB3 LYS A 24 29.486 86.017 46.831 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.938 86.293 45.082 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.403 86.648 44.313 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.399 88.115 43.708 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.885 88.919 44.073 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.721 90.137 45.092 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.702 89.459 46.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.027 89.176 46.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.295 87.661 46.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.282 88.318 45.414 1.00 0.00 H new ATOM 330 N GLU A 25 27.907 87.037 48.925 1.00 0.00 N ATOM 331 CA GLU A 25 27.367 86.511 50.199 1.00 0.00 C ATOM 332 C GLU A 25 27.048 87.646 51.203 1.00 0.00 C ATOM 333 O GLU A 25 26.109 88.401 50.936 1.00 0.00 O ATOM 334 CB GLU A 25 28.217 85.353 50.768 1.00 0.00 C ATOM 335 CG GLU A 25 28.260 84.155 49.803 1.00 0.00 C ATOM 336 CD GLU A 25 28.582 82.838 50.514 1.00 0.00 C ATOM 337 OE1 GLU A 25 27.661 82.262 51.148 1.00 0.00 O ATOM 338 OE2 GLU A 25 29.719 82.312 50.386 1.00 0.00 O ATOM 0 H GLU A 25 28.828 87.464 49.025 1.00 0.00 H new ATOM 0 HA GLU A 25 26.402 86.050 49.987 1.00 0.00 H new ATOM 0 HB2 GLU A 25 29.231 85.704 50.958 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.805 85.035 51.726 1.00 0.00 H new ATOM 0 HG2 GLU A 25 27.298 84.065 49.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 29.009 84.340 49.033 1.00 0.00 H new ATOM 345 N GLU A 26 27.760 87.788 52.330 1.00 0.00 N ATOM 346 CA GLU A 26 27.490 88.853 53.328 1.00 0.00 C ATOM 347 C GLU A 26 27.717 90.265 52.755 1.00 0.00 C ATOM 348 O GLU A 26 26.772 91.061 52.696 1.00 0.00 O ATOM 349 CB GLU A 26 28.334 88.668 54.611 1.00 0.00 C ATOM 350 CG GLU A 26 27.905 87.491 55.499 1.00 0.00 C ATOM 351 CD GLU A 26 28.702 87.458 56.819 1.00 0.00 C ATOM 352 OE1 GLU A 26 28.496 88.336 57.686 1.00 0.00 O ATOM 353 OE2 GLU A 26 29.569 86.559 56.973 1.00 0.00 O ATOM 0 H GLU A 26 28.536 87.176 52.582 1.00 0.00 H new ATOM 0 HA GLU A 26 26.436 88.757 53.587 1.00 0.00 H new ATOM 0 HB2 GLU A 26 29.377 88.529 54.326 1.00 0.00 H new ATOM 0 HB3 GLU A 26 28.283 89.585 55.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 26.840 87.568 55.718 1.00 0.00 H new ATOM 0 HG3 GLU A 26 28.053 86.555 54.960 1.00 0.00 H new ATOM 360 N GLU A 27 28.944 90.559 52.307 1.00 0.00 N ATOM 361 CA GLU A 27 29.396 91.764 51.573 1.00 0.00 C ATOM 362 C GLU A 27 30.836 91.543 51.059 1.00 0.00 C ATOM 363 O GLU A 27 31.128 91.680 49.866 1.00 0.00 O ATOM 364 CB GLU A 27 29.438 93.025 52.486 1.00 0.00 C ATOM 365 CG GLU A 27 28.209 93.955 52.551 1.00 0.00 C ATOM 366 CD GLU A 27 27.932 94.724 51.251 1.00 0.00 C ATOM 367 OE1 GLU A 27 28.802 95.526 50.824 1.00 0.00 O ATOM 368 OE2 GLU A 27 26.826 94.573 50.682 1.00 0.00 O ATOM 0 H GLU A 27 29.716 89.910 52.458 1.00 0.00 H new ATOM 0 HA GLU A 27 28.687 91.923 50.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 29.646 92.687 53.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 30.289 93.629 52.170 1.00 0.00 H new ATOM 0 HG2 GLU A 27 27.331 93.361 52.803 1.00 0.00 H new ATOM 0 HG3 GLU A 27 28.352 94.671 53.360 1.00 0.00 H new ATOM 375 N ASP A 28 31.740 91.219 51.978 1.00 0.00 N ATOM 376 CA ASP A 28 33.180 91.493 51.918 1.00 0.00 C ATOM 377 C ASP A 28 33.933 90.541 52.869 1.00 0.00 C ATOM 378 O ASP A 28 33.829 90.677 54.091 1.00 0.00 O ATOM 379 CB ASP A 28 33.335 92.966 52.340 1.00 0.00 C ATOM 380 CG ASP A 28 34.766 93.476 52.483 1.00 0.00 C ATOM 381 OD1 ASP A 28 35.745 92.771 52.160 1.00 0.00 O ATOM 382 OD2 ASP A 28 34.912 94.651 52.912 1.00 0.00 O ATOM 0 H ASP A 28 31.477 90.731 52.834 1.00 0.00 H new ATOM 0 HA ASP A 28 33.599 91.331 50.925 1.00 0.00 H new ATOM 0 HB2 ASP A 28 32.820 93.589 51.608 1.00 0.00 H new ATOM 0 HB3 ASP A 28 32.824 93.106 53.293 1.00 0.00 H new ATOM 387 N ALA A 29 34.637 89.533 52.321 1.00 0.00 N ATOM 388 CA ALA A 29 35.193 88.421 53.118 1.00 0.00 C ATOM 389 C ALA A 29 36.414 87.693 52.500 1.00 0.00 C ATOM 390 O ALA A 29 37.073 86.921 53.191 1.00 0.00 O ATOM 391 CB ALA A 29 34.057 87.414 53.337 1.00 0.00 C ATOM 0 H ALA A 29 34.836 89.465 51.323 1.00 0.00 H new ATOM 0 HA ALA A 29 35.576 88.854 54.042 1.00 0.00 H new ATOM 0 HB1 ALA A 29 34.425 86.572 53.924 1.00 0.00 H new ATOM 0 HB2 ALA A 29 33.239 87.898 53.870 1.00 0.00 H new ATOM 0 HB3 ALA A 29 33.699 87.054 52.372 1.00 0.00 H new ATOM 397 N SER A 30 36.725 87.910 51.218 1.00 0.00 N ATOM 398 CA SER A 30 37.727 87.141 50.466 1.00 0.00 C ATOM 399 C SER A 30 39.049 87.873 50.233 1.00 0.00 C ATOM 400 O SER A 30 39.643 87.792 49.157 1.00 0.00 O ATOM 401 CB SER A 30 37.104 86.560 49.180 1.00 0.00 C ATOM 402 OG SER A 30 36.570 87.539 48.304 1.00 0.00 O ATOM 0 H SER A 30 36.279 88.639 50.661 1.00 0.00 H new ATOM 0 HA SER A 30 38.022 86.305 51.100 1.00 0.00 H new ATOM 0 HB2 SER A 30 37.863 85.987 48.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 36.312 85.863 49.455 1.00 0.00 H new ATOM 0 HG SER A 30 36.195 87.100 47.512 1.00 0.00 H new ATOM 408 N GLU A 31 39.522 88.643 51.226 1.00 0.00 N ATOM 409 CA GLU A 31 40.690 89.526 51.116 1.00 0.00 C ATOM 410 C GLU A 31 41.391 89.735 52.475 1.00 0.00 C ATOM 411 O GLU A 31 40.943 89.210 53.494 1.00 0.00 O ATOM 412 CB GLU A 31 40.216 90.875 50.516 1.00 0.00 C ATOM 413 CG GLU A 31 40.731 91.114 49.087 1.00 0.00 C ATOM 414 CD GLU A 31 42.164 91.644 49.016 1.00 0.00 C ATOM 415 OE1 GLU A 31 42.905 91.666 50.031 1.00 0.00 O ATOM 416 OE2 GLU A 31 42.596 92.054 47.907 1.00 0.00 O ATOM 0 H GLU A 31 39.091 88.668 52.150 1.00 0.00 H new ATOM 0 HA GLU A 31 41.431 89.063 50.465 1.00 0.00 H new ATOM 0 HB2 GLU A 31 39.126 90.901 50.512 1.00 0.00 H new ATOM 0 HB3 GLU A 31 40.552 91.689 51.158 1.00 0.00 H new ATOM 0 HG2 GLU A 31 40.674 90.178 48.531 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.069 91.822 48.588 1.00 0.00 H new ATOM 423 N GLY A 32 42.485 90.504 52.505 1.00 0.00 N ATOM 424 CA GLY A 32 43.114 91.027 53.723 1.00 0.00 C ATOM 425 C GLY A 32 44.205 90.163 54.358 1.00 0.00 C ATOM 426 O GLY A 32 44.685 90.523 55.442 1.00 0.00 O ATOM 0 H GLY A 32 42.972 90.789 51.655 1.00 0.00 H new ATOM 0 HA2 GLY A 32 43.543 92.002 53.493 1.00 0.00 H new ATOM 0 HA3 GLY A 32 42.333 91.190 54.466 1.00 0.00 H new ATOM 430 N VAL A 33 44.624 89.062 53.728 1.00 0.00 N ATOM 431 CA VAL A 33 45.524 88.064 54.350 1.00 0.00 C ATOM 432 C VAL A 33 46.969 88.088 53.820 1.00 0.00 C ATOM 433 O VAL A 33 47.878 88.349 54.609 1.00 0.00 O ATOM 434 CB VAL A 33 44.883 86.661 54.399 1.00 0.00 C ATOM 435 CG1 VAL A 33 43.542 86.714 55.139 1.00 0.00 C ATOM 436 CG2 VAL A 33 44.653 86.023 53.031 1.00 0.00 C ATOM 0 H VAL A 33 44.354 88.830 52.772 1.00 0.00 H new ATOM 0 HA VAL A 33 45.644 88.375 55.388 1.00 0.00 H new ATOM 0 HB VAL A 33 45.606 86.038 54.926 1.00 0.00 H new ATOM 0 HG11 VAL A 33 43.102 85.717 55.166 1.00 0.00 H new ATOM 0 HG12 VAL A 33 43.702 87.067 56.158 1.00 0.00 H new ATOM 0 HG13 VAL A 33 42.867 87.395 54.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 44.200 85.040 53.160 1.00 0.00 H new ATOM 0 HG22 VAL A 33 43.988 86.655 52.442 1.00 0.00 H new ATOM 0 HG23 VAL A 33 45.607 85.918 52.514 1.00 0.00 H new ATOM 446 N THR A 34 47.222 87.888 52.525 1.00 0.00 N ATOM 447 CA THR A 34 48.585 87.866 51.948 1.00 0.00 C ATOM 448 C THR A 34 48.578 88.260 50.472 1.00 0.00 C ATOM 449 O THR A 34 47.694 87.817 49.733 1.00 0.00 O ATOM 450 CB THR A 34 49.282 86.486 52.064 1.00 0.00 C ATOM 451 OG1 THR A 34 48.798 85.681 53.123 1.00 0.00 O ATOM 452 CG2 THR A 34 50.772 86.656 52.319 1.00 0.00 C ATOM 0 H THR A 34 46.487 87.735 51.835 1.00 0.00 H new ATOM 0 HA THR A 34 49.145 88.592 52.538 1.00 0.00 H new ATOM 0 HB THR A 34 49.070 85.996 51.114 1.00 0.00 H new ATOM 0 HG1 THR A 34 49.281 84.829 53.133 1.00 0.00 H new ATOM 0 HG21 THR A 34 51.242 85.676 52.397 1.00 0.00 H new ATOM 0 HG22 THR A 34 51.221 87.209 51.494 1.00 0.00 H new ATOM 0 HG23 THR A 34 50.922 87.205 53.249 1.00 0.00 H new ATOM 460 N THR A 35 49.557 89.046 50.007 1.00 0.00 N ATOM 461 CA THR A 35 49.638 89.560 48.623 1.00 0.00 C ATOM 462 C THR A 35 50.712 88.870 47.771 1.00 0.00 C ATOM 463 O THR A 35 51.692 88.349 48.303 1.00 0.00 O ATOM 464 CB THR A 35 49.794 91.095 48.633 1.00 0.00 C ATOM 465 OG1 THR A 35 49.215 91.651 47.476 1.00 0.00 O ATOM 466 CG2 THR A 35 51.221 91.614 48.731 1.00 0.00 C ATOM 0 H THR A 35 50.335 89.352 50.591 1.00 0.00 H new ATOM 0 HA THR A 35 48.696 89.311 48.134 1.00 0.00 H new ATOM 0 HB THR A 35 49.285 91.405 49.546 1.00 0.00 H new ATOM 0 HG1 THR A 35 49.319 92.625 47.494 1.00 0.00 H new ATOM 0 HG21 THR A 35 51.213 92.704 48.730 1.00 0.00 H new ATOM 0 HG22 THR A 35 51.676 91.256 49.654 1.00 0.00 H new ATOM 0 HG23 THR A 35 51.798 91.255 47.879 1.00 0.00 H new ATOM 474 N GLY A 36 50.548 88.865 46.447 1.00 0.00 N ATOM 475 CA GLY A 36 51.350 88.060 45.502 1.00 0.00 C ATOM 476 C GLY A 36 50.738 86.680 45.226 1.00 0.00 C ATOM 477 O GLY A 36 49.614 86.387 45.661 1.00 0.00 O ATOM 0 H GLY A 36 49.838 89.432 45.983 1.00 0.00 H new ATOM 0 HA2 GLY A 36 51.448 88.603 44.562 1.00 0.00 H new ATOM 0 HA3 GLY A 36 52.355 87.933 45.903 1.00 0.00 H new ATOM 481 N ASP A 37 51.449 85.823 44.496 1.00 0.00 N ATOM 482 CA ASP A 37 50.880 84.623 43.861 1.00 0.00 C ATOM 483 C ASP A 37 50.643 83.473 44.871 1.00 0.00 C ATOM 484 O ASP A 37 51.565 83.127 45.621 1.00 0.00 O ATOM 485 CB ASP A 37 51.800 84.135 42.723 1.00 0.00 C ATOM 486 CG ASP A 37 51.759 85.019 41.478 1.00 0.00 C ATOM 487 OD1 ASP A 37 51.435 86.233 41.594 1.00 0.00 O ATOM 488 OD2 ASP A 37 52.086 84.482 40.392 1.00 0.00 O ATOM 0 H ASP A 37 52.448 85.938 44.323 1.00 0.00 H new ATOM 0 HA ASP A 37 49.909 84.908 43.456 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.825 84.088 43.091 1.00 0.00 H new ATOM 0 HB3 ASP A 37 51.514 83.120 42.447 1.00 0.00 H new ATOM 493 N PRO A 38 49.441 82.866 44.929 1.00 0.00 N ATOM 494 CA PRO A 38 49.121 81.779 45.866 1.00 0.00 C ATOM 495 C PRO A 38 49.274 80.376 45.264 1.00 0.00 C ATOM 496 O PRO A 38 49.958 79.532 45.831 1.00 0.00 O ATOM 497 CB PRO A 38 47.680 82.060 46.293 1.00 0.00 C ATOM 498 CG PRO A 38 47.048 82.706 45.052 1.00 0.00 C ATOM 499 CD PRO A 38 48.212 83.411 44.357 1.00 0.00 C ATOM 0 HA PRO A 38 49.819 81.769 46.703 1.00 0.00 H new ATOM 0 HB2 PRO A 38 47.161 81.144 46.575 1.00 0.00 H new ATOM 0 HB3 PRO A 38 47.641 82.727 47.154 1.00 0.00 H new ATOM 0 HG2 PRO A 38 46.592 81.958 44.403 1.00 0.00 H new ATOM 0 HG3 PRO A 38 46.263 83.411 45.327 1.00 0.00 H new ATOM 0 HD2 PRO A 38 48.179 83.242 43.281 1.00 0.00 H new ATOM 0 HD3 PRO A 38 48.159 84.489 44.512 1.00 0.00 H new ATOM 507 N ASP A 39 48.667 80.125 44.098 1.00 0.00 N ATOM 508 CA ASP A 39 48.645 78.835 43.395 1.00 0.00 C ATOM 509 C ASP A 39 49.535 78.900 42.118 1.00 0.00 C ATOM 510 O ASP A 39 49.207 78.319 41.082 1.00 0.00 O ATOM 511 CB ASP A 39 47.187 78.414 43.122 1.00 0.00 C ATOM 512 CG ASP A 39 46.367 78.209 44.404 1.00 0.00 C ATOM 513 OD1 ASP A 39 46.491 77.133 45.032 1.00 0.00 O ATOM 514 OD2 ASP A 39 45.571 79.105 44.764 1.00 0.00 O ATOM 0 H ASP A 39 48.154 80.849 43.595 1.00 0.00 H new ATOM 0 HA ASP A 39 49.079 78.055 44.020 1.00 0.00 H new ATOM 0 HB2 ASP A 39 46.705 79.174 42.508 1.00 0.00 H new ATOM 0 HB3 ASP A 39 47.185 77.489 42.545 1.00 0.00 H new ATOM 519 N CYS A 40 50.622 79.678 42.185 1.00 0.00 N ATOM 520 CA CYS A 40 51.550 79.953 41.083 1.00 0.00 C ATOM 521 C CYS A 40 52.997 80.161 41.584 1.00 0.00 C ATOM 522 O CYS A 40 53.187 80.606 42.721 1.00 0.00 O ATOM 523 CB CYS A 40 51.049 81.187 40.318 1.00 0.00 C ATOM 524 SG CYS A 40 50.520 80.702 38.659 1.00 0.00 S ATOM 0 H CYS A 40 50.890 80.154 43.047 1.00 0.00 H new ATOM 0 HA CYS A 40 51.576 79.089 40.419 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.219 81.647 40.855 1.00 0.00 H new ATOM 0 HB3 CYS A 40 51.841 81.933 40.254 1.00 0.00 H new ATOM 0 HG CYS A 40 50.095 81.749 38.016 1.00 0.00 H new ATOM 530 N PRO A 41 54.024 79.900 40.755 1.00 0.00 N ATOM 531 CA PRO A 41 55.406 79.733 41.209 1.00 0.00 C ATOM 532 C PRO A 41 56.157 81.028 41.541 1.00 0.00 C ATOM 533 O PRO A 41 57.348 80.969 41.872 1.00 0.00 O ATOM 534 CB PRO A 41 56.094 78.931 40.086 1.00 0.00 C ATOM 535 CG PRO A 41 55.335 79.376 38.839 1.00 0.00 C ATOM 536 CD PRO A 41 53.912 79.515 39.356 1.00 0.00 C ATOM 0 HA PRO A 41 55.415 79.220 42.171 1.00 0.00 H new ATOM 0 HB2 PRO A 41 57.157 79.162 40.017 1.00 0.00 H new ATOM 0 HB3 PRO A 41 56.012 77.856 40.248 1.00 0.00 H new ATOM 0 HG2 PRO A 41 55.718 80.317 38.445 1.00 0.00 H new ATOM 0 HG3 PRO A 41 55.406 78.642 38.036 1.00 0.00 H new ATOM 0 HD2 PRO A 41 53.363 80.266 38.788 1.00 0.00 H new ATOM 0 HD3 PRO A 41 53.367 78.577 39.253 1.00 0.00 H new ATOM 544 N PHE A 42 55.512 82.193 41.466 1.00 0.00 N ATOM 545 CA PHE A 42 56.113 83.510 41.776 1.00 0.00 C ATOM 546 C PHE A 42 56.227 83.768 43.290 1.00 0.00 C ATOM 547 O PHE A 42 57.160 84.421 43.747 1.00 0.00 O ATOM 548 CB PHE A 42 55.278 84.595 41.081 1.00 0.00 C ATOM 549 CG PHE A 42 56.067 85.655 40.338 1.00 0.00 C ATOM 550 CD1 PHE A 42 56.859 86.581 41.039 1.00 0.00 C ATOM 551 CD2 PHE A 42 55.981 85.725 38.937 1.00 0.00 C ATOM 552 CE1 PHE A 42 57.554 87.588 40.343 1.00 0.00 C ATOM 553 CE2 PHE A 42 56.677 86.730 38.233 1.00 0.00 C ATOM 554 CZ PHE A 42 57.468 87.658 38.943 1.00 0.00 C ATOM 0 H PHE A 42 54.534 82.259 41.182 1.00 0.00 H new ATOM 0 HA PHE A 42 57.136 83.528 41.401 1.00 0.00 H new ATOM 0 HB2 PHE A 42 54.601 84.111 40.377 1.00 0.00 H new ATOM 0 HB3 PHE A 42 54.659 85.088 41.831 1.00 0.00 H new ATOM 0 HD1 PHE A 42 56.934 86.520 42.115 1.00 0.00 H new ATOM 0 HD2 PHE A 42 55.380 85.007 38.398 1.00 0.00 H new ATOM 0 HE1 PHE A 42 58.152 88.306 40.885 1.00 0.00 H new ATOM 0 HE2 PHE A 42 56.605 86.789 37.157 1.00 0.00 H new ATOM 0 HZ PHE A 42 58.009 88.425 38.408 1.00 0.00 H new ATOM 564 N THR A 43 55.280 83.226 44.068 1.00 0.00 N ATOM 565 CA THR A 43 55.189 83.332 45.540 1.00 0.00 C ATOM 566 C THR A 43 55.215 84.795 46.067 1.00 0.00 C ATOM 567 O THR A 43 54.657 85.711 45.441 1.00 0.00 O ATOM 568 CB THR A 43 56.225 82.407 46.232 1.00 0.00 C ATOM 569 OG1 THR A 43 56.658 81.320 45.445 1.00 0.00 O ATOM 570 CG2 THR A 43 55.681 81.790 47.516 1.00 0.00 C ATOM 0 H THR A 43 54.518 82.674 43.674 1.00 0.00 H new ATOM 0 HA THR A 43 54.200 82.970 45.819 1.00 0.00 H new ATOM 0 HB THR A 43 57.060 83.082 46.421 1.00 0.00 H new ATOM 0 HG1 THR A 43 57.308 80.789 45.950 1.00 0.00 H new ATOM 0 HG21 THR A 43 56.442 81.151 47.964 1.00 0.00 H new ATOM 0 HG22 THR A 43 55.415 82.582 48.216 1.00 0.00 H new ATOM 0 HG23 THR A 43 54.797 81.195 47.288 1.00 0.00 H new ATOM 578 N LYS A 44 55.781 85.017 47.251 1.00 0.00 N ATOM 579 CA LYS A 44 55.933 86.306 47.969 1.00 0.00 C ATOM 580 C LYS A 44 57.113 86.214 48.954 1.00 0.00 C ATOM 581 O LYS A 44 57.724 85.160 49.069 1.00 0.00 O ATOM 582 CB LYS A 44 54.613 86.671 48.678 1.00 0.00 C ATOM 583 CG LYS A 44 54.144 85.663 49.748 1.00 0.00 C ATOM 584 CD LYS A 44 52.671 85.276 49.610 1.00 0.00 C ATOM 585 CE LYS A 44 52.431 84.527 48.297 1.00 0.00 C ATOM 586 NZ LYS A 44 51.096 83.918 48.238 1.00 0.00 N ATOM 0 H LYS A 44 56.181 84.246 47.786 1.00 0.00 H new ATOM 0 HA LYS A 44 56.154 87.104 47.260 1.00 0.00 H new ATOM 0 HB2 LYS A 44 54.729 87.648 49.147 1.00 0.00 H new ATOM 0 HB3 LYS A 44 53.830 86.770 47.926 1.00 0.00 H new ATOM 0 HG2 LYS A 44 54.756 84.764 49.683 1.00 0.00 H new ATOM 0 HG3 LYS A 44 54.309 86.090 50.737 1.00 0.00 H new ATOM 0 HD2 LYS A 44 52.374 84.650 50.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 52.050 86.171 49.643 1.00 0.00 H new ATOM 0 HE2 LYS A 44 52.551 85.216 47.461 1.00 0.00 H new ATOM 0 HE3 LYS A 44 53.187 83.751 48.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 50.987 83.408 47.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 50.983 83.253 49.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 50.372 84.662 48.305 1.00 0.00 H new ATOM 600 N ALA A 45 57.414 87.308 49.661 1.00 0.00 N ATOM 601 CA ALA A 45 58.563 87.400 50.564 1.00 0.00 C ATOM 602 C ALA A 45 58.453 86.489 51.810 1.00 0.00 C ATOM 603 O ALA A 45 58.081 86.933 52.900 1.00 0.00 O ATOM 604 CB ALA A 45 58.756 88.890 50.926 1.00 0.00 C ATOM 0 H ALA A 45 56.860 88.163 49.621 1.00 0.00 H new ATOM 0 HA ALA A 45 59.448 87.022 50.052 1.00 0.00 H new ATOM 0 HB1 ALA A 45 59.607 88.994 51.600 1.00 0.00 H new ATOM 0 HB2 ALA A 45 58.940 89.464 50.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 57.857 89.265 51.416 1.00 0.00 H new ATOM 610 N ILE A 46 58.821 85.204 51.645 1.00 0.00 N ATOM 611 CA ILE A 46 58.914 84.179 52.694 1.00 0.00 C ATOM 612 C ILE A 46 60.391 83.747 52.813 1.00 0.00 C ATOM 613 O ILE A 46 60.777 82.686 52.304 1.00 0.00 O ATOM 614 CB ILE A 46 57.934 83.007 52.397 1.00 0.00 C ATOM 615 CG1 ILE A 46 56.471 83.468 52.180 1.00 0.00 C ATOM 616 CG2 ILE A 46 57.969 81.945 53.507 1.00 0.00 C ATOM 617 CD1 ILE A 46 55.781 84.143 53.377 1.00 0.00 C ATOM 0 H ILE A 46 59.074 84.837 50.727 1.00 0.00 H new ATOM 0 HA ILE A 46 58.605 84.572 53.663 1.00 0.00 H new ATOM 0 HB ILE A 46 58.287 82.572 51.462 1.00 0.00 H new ATOM 0 HG12 ILE A 46 56.453 84.162 51.340 1.00 0.00 H new ATOM 0 HG13 ILE A 46 55.879 82.600 51.890 1.00 0.00 H new ATOM 0 HG21 ILE A 46 57.272 81.143 53.265 1.00 0.00 H new ATOM 0 HG22 ILE A 46 58.977 81.538 53.589 1.00 0.00 H new ATOM 0 HG23 ILE A 46 57.683 82.400 54.455 1.00 0.00 H new ATOM 0 HD11 ILE A 46 54.763 84.420 53.102 1.00 0.00 H new ATOM 0 HD12 ILE A 46 55.754 83.451 54.219 1.00 0.00 H new ATOM 0 HD13 ILE A 46 56.336 85.037 53.660 1.00 0.00 H new ATOM 629 N PRO A 47 61.271 84.602 53.379 1.00 0.00 N ATOM 630 CA PRO A 47 62.715 84.388 53.344 1.00 0.00 C ATOM 631 C PRO A 47 63.154 83.109 54.067 1.00 0.00 C ATOM 632 O PRO A 47 62.528 82.695 55.059 1.00 0.00 O ATOM 633 CB PRO A 47 63.345 85.644 53.945 1.00 0.00 C ATOM 634 CG PRO A 47 62.236 86.206 54.833 1.00 0.00 C ATOM 635 CD PRO A 47 60.977 85.860 54.044 1.00 0.00 C ATOM 0 HA PRO A 47 63.050 84.233 52.318 1.00 0.00 H new ATOM 0 HB2 PRO A 47 64.240 85.409 54.521 1.00 0.00 H new ATOM 0 HB3 PRO A 47 63.640 86.354 53.173 1.00 0.00 H new ATOM 0 HG2 PRO A 47 62.235 85.746 55.821 1.00 0.00 H new ATOM 0 HG3 PRO A 47 62.340 87.281 54.981 1.00 0.00 H new ATOM 0 HD2 PRO A 47 60.114 85.763 54.703 1.00 0.00 H new ATOM 0 HD3 PRO A 47 60.740 86.640 53.321 1.00 0.00 H new ATOM 643 N ARG A 48 64.234 82.500 53.573 1.00 0.00 N ATOM 644 CA ARG A 48 64.854 81.261 54.099 1.00 0.00 C ATOM 645 C ARG A 48 65.622 81.510 55.398 1.00 0.00 C ATOM 646 O ARG A 48 66.845 81.380 55.439 1.00 0.00 O ATOM 647 CB ARG A 48 65.728 80.608 53.005 1.00 0.00 C ATOM 648 CG ARG A 48 64.950 80.059 51.787 1.00 0.00 C ATOM 649 CD ARG A 48 64.448 78.613 51.934 1.00 0.00 C ATOM 650 NE ARG A 48 63.332 78.469 52.886 1.00 0.00 N ATOM 651 CZ ARG A 48 62.809 77.343 53.327 1.00 0.00 C ATOM 652 NH1 ARG A 48 63.248 76.170 52.981 1.00 0.00 N ATOM 653 NH2 ARG A 48 61.785 77.379 54.118 1.00 0.00 N ATOM 0 H ARG A 48 64.729 82.865 52.760 1.00 0.00 H new ATOM 0 HA ARG A 48 64.062 80.559 54.359 1.00 0.00 H new ATOM 0 HB2 ARG A 48 66.452 81.343 52.653 1.00 0.00 H new ATOM 0 HB3 ARG A 48 66.294 79.792 53.453 1.00 0.00 H new ATOM 0 HG2 ARG A 48 64.094 80.707 51.599 1.00 0.00 H new ATOM 0 HG3 ARG A 48 65.592 80.117 50.908 1.00 0.00 H new ATOM 0 HD2 ARG A 48 64.131 78.246 50.958 1.00 0.00 H new ATOM 0 HD3 ARG A 48 65.275 77.981 52.259 1.00 0.00 H new ATOM 0 HE ARG A 48 62.921 79.332 53.241 1.00 0.00 H new ATOM 0 HH11 ARG A 48 64.035 76.090 52.337 1.00 0.00 H new ATOM 0 HH12 ARG A 48 62.805 75.330 53.353 1.00 0.00 H new ATOM 0 HH21 ARG A 48 61.387 78.276 54.397 1.00 0.00 H new ATOM 0 HH22 ARG A 48 61.376 76.510 54.463 1.00 0.00 H new ATOM 667 N GLU A 49 64.926 81.874 56.460 1.00 0.00 N ATOM 668 CA GLU A 49 65.490 82.224 57.781 1.00 0.00 C ATOM 669 C GLU A 49 66.470 81.158 58.330 1.00 0.00 C ATOM 670 O GLU A 49 67.486 81.497 58.920 1.00 0.00 O ATOM 671 CB GLU A 49 64.313 82.433 58.752 1.00 0.00 C ATOM 672 CG GLU A 49 64.690 83.190 60.035 1.00 0.00 C ATOM 673 CD GLU A 49 64.707 84.718 59.834 1.00 0.00 C ATOM 674 OE1 GLU A 49 65.389 85.201 58.898 1.00 0.00 O ATOM 675 OE2 GLU A 49 64.038 85.418 60.631 1.00 0.00 O ATOM 0 H GLU A 49 63.908 81.941 56.440 1.00 0.00 H new ATOM 0 HA GLU A 49 66.081 83.134 57.676 1.00 0.00 H new ATOM 0 HB2 GLU A 49 63.523 82.981 58.238 1.00 0.00 H new ATOM 0 HB3 GLU A 49 63.902 81.461 59.023 1.00 0.00 H new ATOM 0 HG2 GLU A 49 63.981 82.938 60.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 65.672 82.860 60.373 1.00 0.00 H new ATOM 682 N GLU A 50 66.193 79.867 58.071 1.00 0.00 N ATOM 683 CA GLU A 50 66.989 78.722 58.534 1.00 0.00 C ATOM 684 C GLU A 50 68.006 78.220 57.490 1.00 0.00 C ATOM 685 O GLU A 50 68.737 77.272 57.757 1.00 0.00 O ATOM 686 CB GLU A 50 66.074 77.535 58.910 1.00 0.00 C ATOM 687 CG GLU A 50 64.798 77.859 59.690 1.00 0.00 C ATOM 688 CD GLU A 50 65.008 78.366 61.118 1.00 0.00 C ATOM 689 OE1 GLU A 50 66.147 78.685 61.526 1.00 0.00 O ATOM 690 OE2 GLU A 50 63.973 78.455 61.830 1.00 0.00 O ATOM 0 H GLU A 50 65.384 79.586 57.517 1.00 0.00 H new ATOM 0 HA GLU A 50 67.538 79.087 59.402 1.00 0.00 H new ATOM 0 HB2 GLU A 50 65.788 77.024 57.991 1.00 0.00 H new ATOM 0 HB3 GLU A 50 66.660 76.829 59.498 1.00 0.00 H new ATOM 0 HG2 GLU A 50 64.235 78.610 59.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 64.180 76.962 59.729 1.00 0.00 H new ATOM 697 N TYR A 51 68.006 78.782 56.268 1.00 0.00 N ATOM 698 CA TYR A 51 68.750 78.235 55.123 1.00 0.00 C ATOM 699 C TYR A 51 69.272 79.298 54.144 1.00 0.00 C ATOM 700 O TYR A 51 69.511 79.044 52.963 1.00 0.00 O ATOM 701 CB TYR A 51 67.897 77.147 54.441 1.00 0.00 C ATOM 702 CG TYR A 51 68.642 76.177 53.546 1.00 0.00 C ATOM 703 CD1 TYR A 51 69.692 75.410 54.077 1.00 0.00 C ATOM 704 CD2 TYR A 51 68.272 76.012 52.194 1.00 0.00 C ATOM 705 CE1 TYR A 51 70.360 74.461 53.278 1.00 0.00 C ATOM 706 CE2 TYR A 51 68.929 75.063 51.393 1.00 0.00 C ATOM 707 CZ TYR A 51 69.969 74.277 51.936 1.00 0.00 C ATOM 708 OH TYR A 51 70.599 73.348 51.178 1.00 0.00 O ATOM 0 H TYR A 51 67.487 79.632 56.048 1.00 0.00 H new ATOM 0 HA TYR A 51 69.664 77.780 55.506 1.00 0.00 H new ATOM 0 HB2 TYR A 51 67.387 76.575 55.216 1.00 0.00 H new ATOM 0 HB3 TYR A 51 67.126 77.638 53.847 1.00 0.00 H new ATOM 0 HD1 TYR A 51 69.990 75.549 55.106 1.00 0.00 H new ATOM 0 HD2 TYR A 51 67.482 76.617 51.774 1.00 0.00 H new ATOM 0 HE1 TYR A 51 71.168 73.877 53.692 1.00 0.00 H new ATOM 0 HE2 TYR A 51 68.638 74.934 50.361 1.00 0.00 H new ATOM 0 HH TYR A 51 70.212 73.344 50.278 1.00 0.00 H new ATOM 718 N ALA A 52 69.477 80.529 54.622 1.00 0.00 N ATOM 719 CA ALA A 52 70.115 81.612 53.868 1.00 0.00 C ATOM 720 C ALA A 52 71.649 81.445 53.880 1.00 0.00 C ATOM 721 O ALA A 52 72.386 82.341 54.306 1.00 0.00 O ATOM 722 CB ALA A 52 69.628 82.961 54.425 1.00 0.00 C ATOM 0 H ALA A 52 69.198 80.806 55.563 1.00 0.00 H new ATOM 0 HA ALA A 52 69.827 81.577 52.817 1.00 0.00 H new ATOM 0 HB1 ALA A 52 70.097 83.774 53.871 1.00 0.00 H new ATOM 0 HB2 ALA A 52 68.545 83.028 54.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 69.897 83.038 55.479 1.00 0.00 H new ATOM 728 N ASN A 53 72.121 80.273 53.455 1.00 0.00 N ATOM 729 CA ASN A 53 73.538 79.892 53.415 1.00 0.00 C ATOM 730 C ASN A 53 74.274 80.365 52.146 1.00 0.00 C ATOM 731 O ASN A 53 75.501 80.356 52.096 1.00 0.00 O ATOM 732 CB ASN A 53 73.651 78.370 53.627 1.00 0.00 C ATOM 733 CG ASN A 53 73.003 77.497 52.574 1.00 0.00 C ATOM 734 OD1 ASN A 53 72.425 77.941 51.589 1.00 0.00 O ATOM 735 ND2 ASN A 53 73.065 76.200 52.743 1.00 0.00 N ATOM 0 H ASN A 53 71.506 79.533 53.116 1.00 0.00 H new ATOM 0 HA ASN A 53 74.049 80.411 54.226 1.00 0.00 H new ATOM 0 HB2 ASN A 53 74.708 78.110 53.684 1.00 0.00 H new ATOM 0 HB3 ASN A 53 73.210 78.125 54.593 1.00 0.00 H new ATOM 0 HD21 ASN A 53 72.636 75.576 52.060 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.542 75.814 53.558 1.00 0.00 H new ATOM 742 N LYS A 54 73.515 80.830 51.146 1.00 0.00 N ATOM 743 CA LYS A 54 73.964 81.431 49.890 1.00 0.00 C ATOM 744 C LYS A 54 73.385 82.843 49.724 1.00 0.00 C ATOM 745 O LYS A 54 72.368 83.176 50.339 1.00 0.00 O ATOM 746 CB LYS A 54 73.509 80.554 48.715 1.00 0.00 C ATOM 747 CG LYS A 54 74.164 79.158 48.649 1.00 0.00 C ATOM 748 CD LYS A 54 73.712 78.462 47.369 1.00 0.00 C ATOM 749 CE LYS A 54 74.375 77.097 47.171 1.00 0.00 C ATOM 750 NZ LYS A 54 73.816 76.409 45.985 1.00 0.00 N ATOM 0 H LYS A 54 72.497 80.792 51.200 1.00 0.00 H new ATOM 0 HA LYS A 54 75.052 81.500 49.907 1.00 0.00 H new ATOM 0 HB2 LYS A 54 72.428 80.429 48.772 1.00 0.00 H new ATOM 0 HB3 LYS A 54 73.720 81.082 47.785 1.00 0.00 H new ATOM 0 HG2 LYS A 54 75.250 79.250 48.665 1.00 0.00 H new ATOM 0 HG3 LYS A 54 73.881 78.567 49.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 72.630 78.335 47.392 1.00 0.00 H new ATOM 0 HD3 LYS A 54 73.940 79.099 46.514 1.00 0.00 H new ATOM 0 HE2 LYS A 54 75.451 77.224 47.050 1.00 0.00 H new ATOM 0 HE3 LYS A 54 74.224 76.482 48.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 74.279 75.485 45.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.794 76.270 46.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 73.982 76.988 45.137 1.00 0.00 H new ATOM 764 N TYR A 55 73.977 83.640 48.822 1.00 0.00 N ATOM 765 CA TYR A 55 73.467 84.945 48.341 1.00 0.00 C ATOM 766 C TYR A 55 73.510 86.116 49.349 1.00 0.00 C ATOM 767 O TYR A 55 73.793 87.243 48.948 1.00 0.00 O ATOM 768 CB TYR A 55 72.066 84.771 47.725 1.00 0.00 C ATOM 769 CG TYR A 55 71.914 85.155 46.268 1.00 0.00 C ATOM 770 CD1 TYR A 55 71.819 86.504 45.903 1.00 0.00 C ATOM 771 CD2 TYR A 55 71.739 84.144 45.302 1.00 0.00 C ATOM 772 CE1 TYR A 55 71.529 86.851 44.565 1.00 0.00 C ATOM 773 CE2 TYR A 55 71.450 84.492 43.965 1.00 0.00 C ATOM 774 CZ TYR A 55 71.334 85.839 43.596 1.00 0.00 C ATOM 775 OH TYR A 55 70.997 86.158 42.320 1.00 0.00 O ATOM 0 H TYR A 55 74.863 83.387 48.385 1.00 0.00 H new ATOM 0 HA TYR A 55 74.179 85.258 47.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 71.773 83.727 47.835 1.00 0.00 H new ATOM 0 HB3 TYR A 55 71.361 85.363 48.309 1.00 0.00 H new ATOM 0 HD1 TYR A 55 71.967 87.277 46.643 1.00 0.00 H new ATOM 0 HD2 TYR A 55 71.826 83.105 45.584 1.00 0.00 H new ATOM 0 HE1 TYR A 55 71.456 87.890 44.281 1.00 0.00 H new ATOM 0 HE2 TYR A 55 71.318 83.718 43.224 1.00 0.00 H new ATOM 0 HH TYR A 55 70.905 85.338 41.791 1.00 0.00 H new ATOM 785 N GLY A 56 73.242 85.870 50.635 1.00 0.00 N ATOM 786 CA GLY A 56 73.399 86.831 51.735 1.00 0.00 C ATOM 787 C GLY A 56 74.809 86.871 52.354 1.00 0.00 C ATOM 788 O GLY A 56 75.389 87.956 52.402 1.00 0.00 O ATOM 0 H GLY A 56 72.897 84.964 50.952 1.00 0.00 H new ATOM 0 HA2 GLY A 56 73.149 87.827 51.369 1.00 0.00 H new ATOM 0 HA3 GLY A 56 72.680 86.589 52.517 1.00 0.00 H new ATOM 792 N PRO A 57 75.359 85.740 52.820 1.00 0.00 N ATOM 793 CA PRO A 57 76.732 85.656 53.357 1.00 0.00 C ATOM 794 C PRO A 57 77.790 85.590 52.237 1.00 0.00 C ATOM 795 O PRO A 57 77.493 85.832 51.059 1.00 0.00 O ATOM 796 CB PRO A 57 76.707 84.401 54.243 1.00 0.00 C ATOM 797 CG PRO A 57 75.737 83.471 53.512 1.00 0.00 C ATOM 798 CD PRO A 57 74.691 84.446 52.984 1.00 0.00 C ATOM 0 HA PRO A 57 77.019 86.542 53.923 1.00 0.00 H new ATOM 0 HB2 PRO A 57 77.697 83.955 54.337 1.00 0.00 H new ATOM 0 HB3 PRO A 57 76.363 84.628 55.252 1.00 0.00 H new ATOM 0 HG2 PRO A 57 76.227 82.924 52.706 1.00 0.00 H new ATOM 0 HG3 PRO A 57 75.301 82.730 54.182 1.00 0.00 H new ATOM 0 HD2 PRO A 57 74.284 84.099 52.034 1.00 0.00 H new ATOM 0 HD3 PRO A 57 73.855 84.528 53.678 1.00 0.00 H new ATOM 806 N THR A 58 79.033 85.235 52.576 1.00 0.00 N ATOM 807 CA THR A 58 79.985 84.683 51.585 1.00 0.00 C ATOM 808 C THR A 58 79.488 83.347 51.016 1.00 0.00 C ATOM 809 O THR A 58 78.822 82.592 51.728 1.00 0.00 O ATOM 810 CB THR A 58 81.395 84.512 52.181 1.00 0.00 C ATOM 811 OG1 THR A 58 81.385 84.164 53.559 1.00 0.00 O ATOM 812 CG2 THR A 58 82.156 85.831 52.070 1.00 0.00 C ATOM 0 H THR A 58 79.410 85.316 53.520 1.00 0.00 H new ATOM 0 HA THR A 58 80.046 85.406 50.771 1.00 0.00 H new ATOM 0 HB THR A 58 81.864 83.705 51.617 1.00 0.00 H new ATOM 0 HG1 THR A 58 82.306 84.068 53.879 1.00 0.00 H new ATOM 0 HG21 THR A 58 83.154 85.712 52.491 1.00 0.00 H new ATOM 0 HG22 THR A 58 82.237 86.117 51.021 1.00 0.00 H new ATOM 0 HG23 THR A 58 81.621 86.607 52.618 1.00 0.00 H new ATOM 820 N ILE A 59 79.892 83.034 49.786 1.00 0.00 N ATOM 821 CA ILE A 59 79.458 81.922 48.903 1.00 0.00 C ATOM 822 C ILE A 59 78.054 82.083 48.268 1.00 0.00 C ATOM 823 O ILE A 59 77.151 82.733 48.774 1.00 0.00 O ATOM 824 CB ILE A 59 79.708 80.497 49.482 1.00 0.00 C ATOM 825 CG1 ILE A 59 78.488 79.917 50.271 1.00 0.00 C ATOM 826 CG2 ILE A 59 81.075 80.403 50.187 1.00 0.00 C ATOM 827 CD1 ILE A 59 78.800 79.134 51.552 1.00 0.00 C ATOM 0 H ILE A 59 80.603 83.602 49.325 1.00 0.00 H new ATOM 0 HA ILE A 59 80.144 82.015 48.061 1.00 0.00 H new ATOM 0 HB ILE A 59 79.784 79.809 48.640 1.00 0.00 H new ATOM 0 HG12 ILE A 59 77.828 80.744 50.531 1.00 0.00 H new ATOM 0 HG13 ILE A 59 77.930 79.263 49.601 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.214 79.395 50.578 1.00 0.00 H new ATOM 0 HG22 ILE A 59 81.868 80.629 49.474 1.00 0.00 H new ATOM 0 HG23 ILE A 59 81.111 81.119 51.008 1.00 0.00 H new ATOM 0 HD11 ILE A 59 77.870 78.787 52.002 1.00 0.00 H new ATOM 0 HD12 ILE A 59 79.428 78.277 51.310 1.00 0.00 H new ATOM 0 HD13 ILE A 59 79.324 79.781 52.255 1.00 0.00 H new ATOM 839 N GLY A 60 77.874 81.453 47.094 1.00 0.00 N ATOM 840 CA GLY A 60 76.557 81.186 46.505 1.00 0.00 C ATOM 841 C GLY A 60 75.788 82.350 45.866 1.00 0.00 C ATOM 842 O GLY A 60 74.652 82.124 45.456 1.00 0.00 O ATOM 0 H GLY A 60 78.649 81.113 46.524 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.685 80.416 45.744 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.926 80.761 47.285 1.00 0.00 H new ATOM 846 N ASP A 61 76.343 83.559 45.755 1.00 0.00 N ATOM 847 CA ASP A 61 75.761 84.645 44.939 1.00 0.00 C ATOM 848 C ASP A 61 76.124 84.491 43.442 1.00 0.00 C ATOM 849 O ASP A 61 75.589 83.619 42.755 1.00 0.00 O ATOM 850 CB ASP A 61 76.084 86.027 45.558 1.00 0.00 C ATOM 851 CG ASP A 61 75.247 87.181 44.972 1.00 0.00 C ATOM 852 OD1 ASP A 61 74.671 87.032 43.882 1.00 0.00 O ATOM 853 OD2 ASP A 61 75.238 88.281 45.581 1.00 0.00 O ATOM 0 H ASP A 61 77.209 83.820 46.226 1.00 0.00 H new ATOM 0 HA ASP A 61 74.674 84.569 44.959 1.00 0.00 H new ATOM 0 HB2 ASP A 61 75.918 85.980 46.634 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.141 86.244 45.407 1.00 0.00 H new ATOM 858 N LYS A 62 77.051 85.290 42.913 1.00 0.00 N ATOM 859 CA LYS A 62 77.151 85.581 41.460 1.00 0.00 C ATOM 860 C LYS A 62 77.858 84.523 40.590 1.00 0.00 C ATOM 861 O LYS A 62 77.838 84.672 39.370 1.00 0.00 O ATOM 862 CB LYS A 62 77.760 86.981 41.239 1.00 0.00 C ATOM 863 CG LYS A 62 76.990 88.051 42.043 1.00 0.00 C ATOM 864 CD LYS A 62 77.363 89.507 41.746 1.00 0.00 C ATOM 865 CE LYS A 62 76.588 90.376 42.743 1.00 0.00 C ATOM 866 NZ LYS A 62 76.745 91.820 42.473 1.00 0.00 N ATOM 0 H LYS A 62 77.762 85.761 43.472 1.00 0.00 H new ATOM 0 HA LYS A 62 76.121 85.548 41.105 1.00 0.00 H new ATOM 0 HB2 LYS A 62 78.807 86.978 41.541 1.00 0.00 H new ATOM 0 HB3 LYS A 62 77.735 87.230 40.178 1.00 0.00 H new ATOM 0 HG2 LYS A 62 75.924 87.923 41.853 1.00 0.00 H new ATOM 0 HG3 LYS A 62 77.150 87.865 43.105 1.00 0.00 H new ATOM 0 HD2 LYS A 62 78.437 89.660 41.853 1.00 0.00 H new ATOM 0 HD3 LYS A 62 77.104 89.771 40.721 1.00 0.00 H new ATOM 0 HE2 LYS A 62 75.531 90.115 42.703 1.00 0.00 H new ATOM 0 HE3 LYS A 62 76.932 90.159 43.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 76.203 92.365 43.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 77.751 92.078 42.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 76.392 92.035 41.519 1.00 0.00 H new ATOM 880 N ILE A 63 78.430 83.478 41.197 1.00 0.00 N ATOM 881 CA ILE A 63 79.331 82.441 40.628 1.00 0.00 C ATOM 882 C ILE A 63 79.056 82.093 39.149 1.00 0.00 C ATOM 883 O ILE A 63 79.979 82.081 38.345 1.00 0.00 O ATOM 884 CB ILE A 63 79.299 81.130 41.453 1.00 0.00 C ATOM 885 CG1 ILE A 63 79.240 81.336 42.990 1.00 0.00 C ATOM 886 CG2 ILE A 63 80.531 80.268 41.088 1.00 0.00 C ATOM 887 CD1 ILE A 63 78.931 80.051 43.759 1.00 0.00 C ATOM 0 H ILE A 63 78.266 83.311 42.190 1.00 0.00 H new ATOM 0 HA ILE A 63 80.318 82.900 40.680 1.00 0.00 H new ATOM 0 HB ILE A 63 78.369 80.626 41.188 1.00 0.00 H new ATOM 0 HG12 ILE A 63 80.194 81.737 43.333 1.00 0.00 H new ATOM 0 HG13 ILE A 63 78.479 82.082 43.221 1.00 0.00 H new ATOM 0 HG21 ILE A 63 80.513 79.344 41.666 1.00 0.00 H new ATOM 0 HG22 ILE A 63 80.507 80.031 40.024 1.00 0.00 H new ATOM 0 HG23 ILE A 63 81.442 80.821 41.316 1.00 0.00 H new ATOM 0 HD11 ILE A 63 78.904 80.264 44.828 1.00 0.00 H new ATOM 0 HD12 ILE A 63 77.964 79.661 43.442 1.00 0.00 H new ATOM 0 HD13 ILE A 63 79.705 79.311 43.556 1.00 0.00 H new ATOM 899 N ARG A 64 77.793 81.786 38.809 1.00 0.00 N ATOM 900 CA ARG A 64 77.253 81.793 37.426 1.00 0.00 C ATOM 901 C ARG A 64 75.829 82.364 37.358 1.00 0.00 C ATOM 902 O ARG A 64 75.419 82.882 36.313 1.00 0.00 O ATOM 903 CB ARG A 64 77.249 80.396 36.784 1.00 0.00 C ATOM 904 CG ARG A 64 78.640 79.766 36.579 1.00 0.00 C ATOM 905 CD ARG A 64 79.056 78.840 37.725 1.00 0.00 C ATOM 906 NE ARG A 64 78.288 77.590 37.661 1.00 0.00 N ATOM 907 CZ ARG A 64 78.155 76.635 38.569 1.00 0.00 C ATOM 908 NH1 ARG A 64 78.726 76.689 39.735 1.00 0.00 N ATOM 909 NH2 ARG A 64 77.428 75.607 38.271 1.00 0.00 N ATOM 0 H ARG A 64 77.095 81.518 39.503 1.00 0.00 H new ATOM 0 HA ARG A 64 77.929 82.439 36.866 1.00 0.00 H new ATOM 0 HB2 ARG A 64 76.653 79.729 37.407 1.00 0.00 H new ATOM 0 HB3 ARG A 64 76.750 80.459 35.817 1.00 0.00 H new ATOM 0 HG2 ARG A 64 78.643 79.203 35.646 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.380 80.560 36.475 1.00 0.00 H new ATOM 0 HD2 ARG A 64 80.123 78.625 37.662 1.00 0.00 H new ATOM 0 HD3 ARG A 64 78.886 79.333 38.682 1.00 0.00 H new ATOM 0 HE ARG A 64 77.783 77.434 36.789 1.00 0.00 H new ATOM 0 HH11 ARG A 64 79.305 77.491 39.983 1.00 0.00 H new ATOM 0 HH12 ARG A 64 78.595 75.929 40.403 1.00 0.00 H new ATOM 0 HH21 ARG A 64 76.977 75.549 37.358 1.00 0.00 H new ATOM 0 HH22 ARG A 64 77.306 74.855 38.949 1.00 0.00 H new ATOM 923 N LEU A 65 75.070 82.290 38.452 1.00 0.00 N ATOM 924 CA LEU A 65 73.680 82.729 38.556 1.00 0.00 C ATOM 925 C LEU A 65 73.565 84.200 39.013 1.00 0.00 C ATOM 926 O LEU A 65 72.572 84.605 39.626 1.00 0.00 O ATOM 927 CB LEU A 65 72.856 81.736 39.413 1.00 0.00 C ATOM 928 CG LEU A 65 72.832 80.243 39.008 1.00 0.00 C ATOM 929 CD1 LEU A 65 72.789 80.016 37.489 1.00 0.00 C ATOM 930 CD2 LEU A 65 73.993 79.425 39.571 1.00 0.00 C ATOM 0 H LEU A 65 75.424 81.905 39.328 1.00 0.00 H new ATOM 0 HA LEU A 65 73.238 82.715 37.560 1.00 0.00 H new ATOM 0 HB2 LEU A 65 73.229 81.794 40.436 1.00 0.00 H new ATOM 0 HB3 LEU A 65 71.825 82.090 39.429 1.00 0.00 H new ATOM 0 HG LEU A 65 71.901 79.892 39.454 1.00 0.00 H new ATOM 0 HD11 LEU A 65 72.774 78.946 37.281 1.00 0.00 H new ATOM 0 HD12 LEU A 65 71.892 80.478 37.077 1.00 0.00 H new ATOM 0 HD13 LEU A 65 73.671 80.463 37.029 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.903 78.390 39.241 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.936 79.839 39.214 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.970 79.462 40.660 1.00 0.00 H new ATOM 942 N GLY A 66 74.593 85.005 38.740 1.00 0.00 N ATOM 943 CA GLY A 66 74.512 86.461 38.801 1.00 0.00 C ATOM 944 C GLY A 66 73.779 87.048 37.586 1.00 0.00 C ATOM 945 O GLY A 66 73.066 86.355 36.855 1.00 0.00 O ATOM 0 H GLY A 66 75.513 84.659 38.468 1.00 0.00 H new ATOM 0 HA2 GLY A 66 73.995 86.757 39.714 1.00 0.00 H new ATOM 0 HA3 GLY A 66 75.518 86.878 38.854 1.00 0.00 H new ATOM 949 N ASP A 67 73.970 88.349 37.357 1.00 0.00 N ATOM 950 CA ASP A 67 73.450 89.083 36.198 1.00 0.00 C ATOM 951 C ASP A 67 74.494 90.059 35.615 1.00 0.00 C ATOM 952 O ASP A 67 74.590 90.179 34.391 1.00 0.00 O ATOM 953 CB ASP A 67 72.155 89.788 36.652 1.00 0.00 C ATOM 954 CG ASP A 67 71.444 90.585 35.569 1.00 0.00 C ATOM 955 OD1 ASP A 67 71.299 90.099 34.428 1.00 0.00 O ATOM 956 OD2 ASP A 67 70.986 91.707 35.872 1.00 0.00 O ATOM 0 H ASP A 67 74.507 88.940 37.992 1.00 0.00 H new ATOM 0 HA ASP A 67 73.228 88.400 35.378 1.00 0.00 H new ATOM 0 HB2 ASP A 67 71.467 89.037 37.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.394 90.458 37.478 1.00 0.00 H new ATOM 961 N THR A 68 75.328 90.688 36.447 1.00 0.00 N ATOM 962 CA THR A 68 76.443 91.563 35.985 1.00 0.00 C ATOM 963 C THR A 68 77.788 90.838 35.858 1.00 0.00 C ATOM 964 O THR A 68 78.675 91.283 35.115 1.00 0.00 O ATOM 965 CB THR A 68 76.586 92.780 36.916 1.00 0.00 C ATOM 966 OG1 THR A 68 77.505 93.711 36.384 1.00 0.00 O ATOM 967 CG2 THR A 68 77.077 92.439 38.329 1.00 0.00 C ATOM 0 H THR A 68 75.261 90.614 37.462 1.00 0.00 H new ATOM 0 HA THR A 68 76.175 91.888 34.980 1.00 0.00 H new ATOM 0 HB THR A 68 75.577 93.187 36.986 1.00 0.00 H new ATOM 0 HG1 THR A 68 77.581 94.478 36.989 1.00 0.00 H new ATOM 0 HG21 THR A 68 77.150 93.352 38.919 1.00 0.00 H new ATOM 0 HG22 THR A 68 76.373 91.755 38.804 1.00 0.00 H new ATOM 0 HG23 THR A 68 78.057 91.966 38.269 1.00 0.00 H new ATOM 975 N ASP A 69 77.985 89.742 36.608 1.00 0.00 N ATOM 976 CA ASP A 69 79.306 89.168 36.879 1.00 0.00 C ATOM 977 C ASP A 69 79.675 87.982 35.959 1.00 0.00 C ATOM 978 O ASP A 69 78.828 87.468 35.222 1.00 0.00 O ATOM 979 CB ASP A 69 79.425 88.835 38.382 1.00 0.00 C ATOM 980 CG ASP A 69 80.660 89.485 38.987 1.00 0.00 C ATOM 981 OD1 ASP A 69 81.743 89.352 38.377 1.00 0.00 O ATOM 982 OD2 ASP A 69 80.521 90.175 40.037 1.00 0.00 O ATOM 0 H ASP A 69 77.222 89.227 37.046 1.00 0.00 H new ATOM 0 HA ASP A 69 80.053 89.922 36.632 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.534 89.180 38.906 1.00 0.00 H new ATOM 0 HB3 ASP A 69 79.475 87.754 38.516 1.00 0.00 H new ATOM 987 N LEU A 70 80.955 87.585 35.960 1.00 0.00 N ATOM 988 CA LEU A 70 81.511 86.665 34.957 1.00 0.00 C ATOM 989 C LEU A 70 81.466 85.188 35.370 1.00 0.00 C ATOM 990 O LEU A 70 80.505 84.484 35.046 1.00 0.00 O ATOM 991 CB LEU A 70 82.902 87.151 34.471 1.00 0.00 C ATOM 992 CG LEU A 70 82.954 88.581 33.913 1.00 0.00 C ATOM 993 CD1 LEU A 70 84.327 88.823 33.275 1.00 0.00 C ATOM 994 CD2 LEU A 70 81.903 88.876 32.850 1.00 0.00 C ATOM 0 H LEU A 70 81.634 87.892 36.656 1.00 0.00 H new ATOM 0 HA LEU A 70 80.848 86.697 34.092 1.00 0.00 H new ATOM 0 HB2 LEU A 70 83.602 87.081 35.304 1.00 0.00 H new ATOM 0 HB3 LEU A 70 83.255 86.467 33.699 1.00 0.00 H new ATOM 0 HG LEU A 70 82.760 89.237 34.762 1.00 0.00 H new ATOM 0 HD11 LEU A 70 84.370 89.837 32.877 1.00 0.00 H new ATOM 0 HD12 LEU A 70 85.105 88.695 34.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 84.483 88.109 32.466 1.00 0.00 H new ATOM 0 HD21 LEU A 70 82.009 89.906 32.509 1.00 0.00 H new ATOM 0 HD22 LEU A 70 82.039 88.199 32.007 1.00 0.00 H new ATOM 0 HD23 LEU A 70 80.908 88.734 33.273 1.00 0.00 H new ATOM 1006 N ILE A 71 82.533 84.662 36.002 1.00 0.00 N ATOM 1007 CA ILE A 71 82.626 83.289 36.519 1.00 0.00 C ATOM 1008 C ILE A 71 83.719 83.188 37.606 1.00 0.00 C ATOM 1009 O ILE A 71 84.581 84.069 37.703 1.00 0.00 O ATOM 1010 CB ILE A 71 82.827 82.259 35.375 1.00 0.00 C ATOM 1011 CG1 ILE A 71 82.478 80.823 35.828 1.00 0.00 C ATOM 1012 CG2 ILE A 71 84.249 82.307 34.781 1.00 0.00 C ATOM 1013 CD1 ILE A 71 82.137 79.872 34.672 1.00 0.00 C ATOM 0 H ILE A 71 83.381 85.203 36.171 1.00 0.00 H new ATOM 0 HA ILE A 71 81.676 83.037 36.991 1.00 0.00 H new ATOM 0 HB ILE A 71 82.133 82.546 34.585 1.00 0.00 H new ATOM 0 HG12 ILE A 71 83.320 80.414 36.386 1.00 0.00 H new ATOM 0 HG13 ILE A 71 81.631 80.864 36.513 1.00 0.00 H new ATOM 0 HG21 ILE A 71 84.336 81.567 33.985 1.00 0.00 H new ATOM 0 HG22 ILE A 71 84.441 83.300 34.375 1.00 0.00 H new ATOM 0 HG23 ILE A 71 84.977 82.087 35.562 1.00 0.00 H new ATOM 0 HD11 ILE A 71 81.904 78.884 35.070 1.00 0.00 H new ATOM 0 HD12 ILE A 71 81.275 80.257 34.127 1.00 0.00 H new ATOM 0 HD13 ILE A 71 82.990 79.799 33.997 1.00 0.00 H new ATOM 1025 N ALA A 72 83.719 82.069 38.328 1.00 0.00 N ATOM 1026 CA ALA A 72 84.607 81.686 39.435 1.00 0.00 C ATOM 1027 C ALA A 72 84.290 82.398 40.762 1.00 0.00 C ATOM 1028 O ALA A 72 84.411 83.618 40.884 1.00 0.00 O ATOM 1029 CB ALA A 72 86.088 81.735 39.041 1.00 0.00 C ATOM 0 H ALA A 72 83.035 81.336 38.139 1.00 0.00 H new ATOM 0 HA ALA A 72 84.391 80.638 39.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 86.701 81.443 39.894 1.00 0.00 H new ATOM 0 HB2 ALA A 72 86.267 81.049 38.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 86.350 82.748 38.735 1.00 0.00 H new ATOM 1035 N GLU A 73 83.928 81.582 41.762 1.00 0.00 N ATOM 1036 CA GLU A 73 83.679 81.912 43.163 1.00 0.00 C ATOM 1037 C GLU A 73 82.916 83.229 43.427 1.00 0.00 C ATOM 1038 O GLU A 73 81.993 83.558 42.691 1.00 0.00 O ATOM 1039 CB GLU A 73 84.957 81.678 43.980 1.00 0.00 C ATOM 1040 CG GLU A 73 86.221 82.459 43.579 1.00 0.00 C ATOM 1041 CD GLU A 73 87.459 81.615 43.859 1.00 0.00 C ATOM 1042 OE1 GLU A 73 87.715 80.642 43.106 1.00 0.00 O ATOM 1043 OE2 GLU A 73 88.173 81.908 44.844 1.00 0.00 O ATOM 0 H GLU A 73 83.791 80.586 41.590 1.00 0.00 H new ATOM 0 HA GLU A 73 82.930 81.215 43.539 1.00 0.00 H new ATOM 0 HB2 GLU A 73 84.736 81.912 45.021 1.00 0.00 H new ATOM 0 HB3 GLU A 73 85.193 80.615 43.935 1.00 0.00 H new ATOM 0 HG2 GLU A 73 86.179 82.719 42.521 1.00 0.00 H new ATOM 0 HG3 GLU A 73 86.274 83.395 44.136 1.00 0.00 H new ATOM 1050 N ILE A 74 83.224 83.929 44.534 1.00 0.00 N ATOM 1051 CA ILE A 74 82.622 85.222 44.885 1.00 0.00 C ATOM 1052 C ILE A 74 83.746 86.256 44.981 1.00 0.00 C ATOM 1053 O ILE A 74 83.883 87.104 44.100 1.00 0.00 O ATOM 1054 CB ILE A 74 81.771 85.141 46.173 1.00 0.00 C ATOM 1055 CG1 ILE A 74 80.684 84.039 46.132 1.00 0.00 C ATOM 1056 CG2 ILE A 74 81.129 86.496 46.492 1.00 0.00 C ATOM 1057 CD1 ILE A 74 79.602 84.219 45.070 1.00 0.00 C ATOM 0 H ILE A 74 83.908 83.605 45.218 1.00 0.00 H new ATOM 0 HA ILE A 74 81.920 85.526 44.108 1.00 0.00 H new ATOM 0 HB ILE A 74 82.466 84.867 46.967 1.00 0.00 H new ATOM 0 HG12 ILE A 74 81.172 83.078 45.969 1.00 0.00 H new ATOM 0 HG13 ILE A 74 80.204 83.991 47.109 1.00 0.00 H new ATOM 0 HG21 ILE A 74 80.536 86.412 47.403 1.00 0.00 H new ATOM 0 HG22 ILE A 74 81.909 87.244 46.635 1.00 0.00 H new ATOM 0 HG23 ILE A 74 80.485 86.797 45.666 1.00 0.00 H new ATOM 0 HD11 ILE A 74 78.893 83.393 45.129 1.00 0.00 H new ATOM 0 HD12 ILE A 74 79.078 85.160 45.240 1.00 0.00 H new ATOM 0 HD13 ILE A 74 80.061 84.233 44.082 1.00 0.00 H new ATOM 1069 N GLU A 75 84.584 86.152 46.013 1.00 0.00 N ATOM 1070 CA GLU A 75 85.690 87.091 46.265 1.00 0.00 C ATOM 1071 C GLU A 75 87.027 86.375 46.510 1.00 0.00 C ATOM 1072 O GLU A 75 88.053 86.932 46.109 1.00 0.00 O ATOM 1073 CB GLU A 75 85.318 87.984 47.464 1.00 0.00 C ATOM 1074 CG GLU A 75 84.460 89.191 47.049 1.00 0.00 C ATOM 1075 CD GLU A 75 85.271 90.282 46.343 1.00 0.00 C ATOM 1076 OE1 GLU A 75 86.391 90.604 46.810 1.00 0.00 O ATOM 1077 OE2 GLU A 75 84.784 90.884 45.359 1.00 0.00 O ATOM 0 H GLU A 75 84.518 85.408 46.707 1.00 0.00 H new ATOM 0 HA GLU A 75 85.832 87.701 45.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 84.775 87.392 48.201 1.00 0.00 H new ATOM 0 HB3 GLU A 75 86.229 88.338 47.947 1.00 0.00 H new ATOM 0 HG2 GLU A 75 83.662 88.853 46.388 1.00 0.00 H new ATOM 0 HG3 GLU A 75 83.984 89.614 47.934 1.00 0.00 H new ATOM 1084 N LYS A 76 87.012 85.206 47.157 1.00 0.00 N ATOM 1085 CA LYS A 76 88.153 84.269 47.327 1.00 0.00 C ATOM 1086 C LYS A 76 87.688 83.054 48.145 1.00 0.00 C ATOM 1087 O LYS A 76 87.809 83.035 49.372 1.00 0.00 O ATOM 1088 CB LYS A 76 89.369 84.976 47.957 1.00 0.00 C ATOM 1089 CG LYS A 76 89.115 85.889 49.173 1.00 0.00 C ATOM 1090 CD LYS A 76 90.205 86.950 49.341 1.00 0.00 C ATOM 1091 CE LYS A 76 89.973 88.053 48.300 1.00 0.00 C ATOM 1092 NZ LYS A 76 91.049 89.070 48.329 1.00 0.00 N ATOM 0 H LYS A 76 86.164 84.859 47.604 1.00 0.00 H new ATOM 0 HA LYS A 76 88.485 83.916 46.351 1.00 0.00 H new ATOM 0 HB2 LYS A 76 90.085 84.210 48.256 1.00 0.00 H new ATOM 0 HB3 LYS A 76 89.848 85.575 47.182 1.00 0.00 H new ATOM 0 HG2 LYS A 76 88.148 86.379 49.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 89.061 85.281 50.076 1.00 0.00 H new ATOM 0 HD2 LYS A 76 90.176 87.367 50.348 1.00 0.00 H new ATOM 0 HD3 LYS A 76 91.191 86.505 49.208 1.00 0.00 H new ATOM 0 HE2 LYS A 76 89.919 87.609 47.306 1.00 0.00 H new ATOM 0 HE3 LYS A 76 89.013 88.534 48.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 90.857 89.799 47.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 91.084 89.511 49.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 91.962 88.615 48.125 1.00 0.00 H new ATOM 1106 N ASP A 77 87.068 82.081 47.477 1.00 0.00 N ATOM 1107 CA ASP A 77 86.218 81.076 48.123 1.00 0.00 C ATOM 1108 C ASP A 77 86.191 79.695 47.430 1.00 0.00 C ATOM 1109 O ASP A 77 86.098 79.596 46.216 1.00 0.00 O ATOM 1110 CB ASP A 77 84.757 81.585 48.187 1.00 0.00 C ATOM 1111 CG ASP A 77 84.590 82.915 48.910 1.00 0.00 C ATOM 1112 OD1 ASP A 77 84.426 82.849 50.161 1.00 0.00 O ATOM 1113 OD2 ASP A 77 84.580 83.970 48.223 1.00 0.00 O ATOM 0 H ASP A 77 87.141 81.966 46.466 1.00 0.00 H new ATOM 0 HA ASP A 77 86.661 80.936 49.109 1.00 0.00 H new ATOM 0 HB2 ASP A 77 84.375 81.686 47.171 1.00 0.00 H new ATOM 0 HB3 ASP A 77 84.144 80.834 48.685 1.00 0.00 H new ATOM 1118 N PHE A 78 86.086 78.612 48.228 1.00 0.00 N ATOM 1119 CA PHE A 78 85.729 77.261 47.740 1.00 0.00 C ATOM 1120 C PHE A 78 84.292 77.152 47.186 1.00 0.00 C ATOM 1121 O PHE A 78 83.940 76.158 46.560 1.00 0.00 O ATOM 1122 CB PHE A 78 85.918 76.242 48.879 1.00 0.00 C ATOM 1123 CG PHE A 78 87.298 75.620 48.994 1.00 0.00 C ATOM 1124 CD1 PHE A 78 88.280 76.210 49.810 1.00 0.00 C ATOM 1125 CD2 PHE A 78 87.577 74.396 48.348 1.00 0.00 C ATOM 1126 CE1 PHE A 78 89.530 75.585 49.975 1.00 0.00 C ATOM 1127 CE2 PHE A 78 88.827 73.772 48.514 1.00 0.00 C ATOM 1128 CZ PHE A 78 89.797 74.373 49.335 1.00 0.00 C ATOM 0 H PHE A 78 86.247 78.649 49.235 1.00 0.00 H new ATOM 0 HA PHE A 78 86.396 77.049 46.904 1.00 0.00 H new ATOM 0 HB2 PHE A 78 85.683 76.734 49.823 1.00 0.00 H new ATOM 0 HB3 PHE A 78 85.190 75.441 48.748 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.074 77.144 50.311 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.826 73.936 47.723 1.00 0.00 H new ATOM 0 HE1 PHE A 78 90.284 76.043 50.598 1.00 0.00 H new ATOM 0 HE2 PHE A 78 89.040 72.838 48.014 1.00 0.00 H new ATOM 0 HZ PHE A 78 90.755 73.894 49.472 1.00 0.00 H new ATOM 1138 N ALA A 79 83.460 78.192 47.380 1.00 0.00 N ATOM 1139 CA ALA A 79 82.165 78.425 46.727 1.00 0.00 C ATOM 1140 C ALA A 79 80.997 77.452 47.005 1.00 0.00 C ATOM 1141 O ALA A 79 79.924 77.662 46.438 1.00 0.00 O ATOM 1142 CB ALA A 79 82.425 78.681 45.238 1.00 0.00 C ATOM 0 H ALA A 79 83.691 78.936 48.038 1.00 0.00 H new ATOM 0 HA ALA A 79 81.747 79.304 47.218 1.00 0.00 H new ATOM 0 HB1 ALA A 79 81.478 78.857 44.728 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.066 79.555 45.126 1.00 0.00 H new ATOM 0 HB3 ALA A 79 82.916 77.812 44.800 1.00 0.00 H new ATOM 1148 N LEU A 80 81.147 76.479 47.926 1.00 0.00 N ATOM 1149 CA LEU A 80 80.155 75.461 48.330 1.00 0.00 C ATOM 1150 C LEU A 80 79.803 74.457 47.206 1.00 0.00 C ATOM 1151 O LEU A 80 79.159 74.829 46.228 1.00 0.00 O ATOM 1152 CB LEU A 80 78.900 76.151 48.920 1.00 0.00 C ATOM 1153 CG LEU A 80 78.030 75.348 49.921 1.00 0.00 C ATOM 1154 CD1 LEU A 80 76.768 76.158 50.251 1.00 0.00 C ATOM 1155 CD2 LEU A 80 77.535 73.995 49.409 1.00 0.00 C ATOM 0 H LEU A 80 82.021 76.376 48.441 1.00 0.00 H new ATOM 0 HA LEU A 80 80.615 74.851 49.107 1.00 0.00 H new ATOM 0 HB2 LEU A 80 79.225 77.065 49.418 1.00 0.00 H new ATOM 0 HB3 LEU A 80 78.262 76.451 48.089 1.00 0.00 H new ATOM 0 HG LEU A 80 78.682 75.169 50.776 1.00 0.00 H new ATOM 0 HD11 LEU A 80 76.151 75.599 50.955 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.053 77.111 50.696 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.203 76.339 49.337 1.00 0.00 H new ATOM 0 HD21 LEU A 80 76.936 73.511 50.181 1.00 0.00 H new ATOM 0 HD22 LEU A 80 76.926 74.144 48.517 1.00 0.00 H new ATOM 0 HD23 LEU A 80 78.389 73.364 49.164 1.00 0.00 H new ATOM 1167 N TYR A 81 80.124 73.175 47.396 1.00 0.00 N ATOM 1168 CA TYR A 81 79.956 72.082 46.431 1.00 0.00 C ATOM 1169 C TYR A 81 80.875 72.201 45.198 1.00 0.00 C ATOM 1170 O TYR A 81 80.960 73.239 44.554 1.00 0.00 O ATOM 1171 CB TYR A 81 78.464 71.905 46.061 1.00 0.00 C ATOM 1172 CG TYR A 81 77.989 70.477 45.906 1.00 0.00 C ATOM 1173 CD1 TYR A 81 77.731 69.713 47.059 1.00 0.00 C ATOM 1174 CD2 TYR A 81 77.749 69.923 44.629 1.00 0.00 C ATOM 1175 CE1 TYR A 81 77.228 68.410 46.950 1.00 0.00 C ATOM 1176 CE2 TYR A 81 77.226 68.618 44.519 1.00 0.00 C ATOM 1177 CZ TYR A 81 76.946 67.855 45.677 1.00 0.00 C ATOM 1178 OH TYR A 81 76.404 66.620 45.598 1.00 0.00 O ATOM 0 H TYR A 81 80.530 72.853 48.274 1.00 0.00 H new ATOM 0 HA TYR A 81 80.284 71.167 46.924 1.00 0.00 H new ATOM 0 HB2 TYR A 81 77.859 72.388 46.828 1.00 0.00 H new ATOM 0 HB3 TYR A 81 78.276 72.434 45.127 1.00 0.00 H new ATOM 0 HD1 TYR A 81 77.922 70.134 48.035 1.00 0.00 H new ATOM 0 HD2 TYR A 81 77.965 70.497 43.740 1.00 0.00 H new ATOM 0 HE1 TYR A 81 77.054 67.825 47.841 1.00 0.00 H new ATOM 0 HE2 TYR A 81 77.038 68.197 43.542 1.00 0.00 H new ATOM 0 HH TYR A 81 76.269 66.381 44.657 1.00 0.00 H new ATOM 1188 N GLY A 82 81.571 71.120 44.854 1.00 0.00 N ATOM 1189 CA GLY A 82 82.706 71.132 43.915 1.00 0.00 C ATOM 1190 C GLY A 82 83.891 70.371 44.490 1.00 0.00 C ATOM 1191 O GLY A 82 83.719 69.220 44.906 1.00 0.00 O ATOM 0 H GLY A 82 81.364 70.192 45.223 1.00 0.00 H new ATOM 0 HA2 GLY A 82 82.405 70.684 42.968 1.00 0.00 H new ATOM 0 HA3 GLY A 82 82.997 72.161 43.703 1.00 0.00 H new ATOM 1195 N ASP A 83 85.058 71.018 44.562 1.00 0.00 N ATOM 1196 CA ASP A 83 86.310 70.607 45.251 1.00 0.00 C ATOM 1197 C ASP A 83 86.103 70.410 46.766 1.00 0.00 C ATOM 1198 O ASP A 83 86.591 71.165 47.610 1.00 0.00 O ATOM 1199 CB ASP A 83 87.389 71.649 44.929 1.00 0.00 C ATOM 1200 CG ASP A 83 88.782 71.317 45.458 1.00 0.00 C ATOM 1201 OD1 ASP A 83 89.084 70.141 45.787 1.00 0.00 O ATOM 1202 OD2 ASP A 83 89.628 72.241 45.447 1.00 0.00 O ATOM 0 H ASP A 83 85.173 71.922 44.104 1.00 0.00 H new ATOM 0 HA ASP A 83 86.632 69.631 44.886 1.00 0.00 H new ATOM 0 HB2 ASP A 83 87.446 71.769 43.847 1.00 0.00 H new ATOM 0 HB3 ASP A 83 87.080 72.610 45.340 1.00 0.00 H new ATOM 1207 N GLU A 84 85.251 69.441 47.099 1.00 0.00 N ATOM 1208 CA GLU A 84 84.591 69.263 48.383 1.00 0.00 C ATOM 1209 C GLU A 84 83.943 67.860 48.472 1.00 0.00 C ATOM 1210 O GLU A 84 84.055 67.221 49.535 1.00 0.00 O ATOM 1211 CB GLU A 84 83.528 70.365 48.532 1.00 0.00 C ATOM 1212 CG GLU A 84 83.085 70.588 49.986 1.00 0.00 C ATOM 1213 CD GLU A 84 82.148 71.791 50.068 1.00 0.00 C ATOM 1214 OE1 GLU A 84 80.917 71.629 49.846 1.00 0.00 O ATOM 1215 OE2 GLU A 84 82.624 72.913 50.362 1.00 0.00 O ATOM 0 H GLU A 84 84.989 68.714 46.433 1.00 0.00 H new ATOM 0 HA GLU A 84 85.319 69.338 49.191 1.00 0.00 H new ATOM 0 HB2 GLU A 84 83.924 71.299 48.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 82.657 70.105 47.930 1.00 0.00 H new ATOM 0 HG2 GLU A 84 82.581 69.698 50.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 83.957 70.752 50.619 1.00 0.00 H new ATOM 1222 N SER A 85 83.322 67.349 47.389 1.00 0.00 N ATOM 1223 CA SER A 85 82.784 65.965 47.294 1.00 0.00 C ATOM 1224 C SER A 85 82.452 65.453 45.866 1.00 0.00 C ATOM 1225 O SER A 85 82.805 64.321 45.535 1.00 0.00 O ATOM 1226 CB SER A 85 81.498 65.870 48.133 1.00 0.00 C ATOM 1227 OG SER A 85 81.025 64.548 48.233 1.00 0.00 O ATOM 0 H SER A 85 83.175 67.892 46.538 1.00 0.00 H new ATOM 0 HA SER A 85 83.593 65.332 47.659 1.00 0.00 H new ATOM 0 HB2 SER A 85 81.688 66.263 49.132 1.00 0.00 H new ATOM 0 HB3 SER A 85 80.727 66.497 47.685 1.00 0.00 H new ATOM 0 HG SER A 85 80.209 64.533 48.775 1.00 0.00 H new ATOM 1233 N VAL A 86 81.763 66.242 45.039 1.00 0.00 N ATOM 1234 CA VAL A 86 81.181 65.853 43.724 1.00 0.00 C ATOM 1235 C VAL A 86 80.438 64.499 43.743 1.00 0.00 C ATOM 1236 O VAL A 86 79.302 64.448 44.199 1.00 0.00 O ATOM 1237 CB VAL A 86 82.172 65.995 42.540 1.00 0.00 C ATOM 1238 CG1 VAL A 86 81.447 65.961 41.187 1.00 0.00 C ATOM 1239 CG2 VAL A 86 82.938 67.311 42.577 1.00 0.00 C ATOM 0 H VAL A 86 81.579 67.219 45.266 1.00 0.00 H new ATOM 0 HA VAL A 86 80.404 66.595 43.538 1.00 0.00 H new ATOM 0 HB VAL A 86 82.855 65.152 42.645 1.00 0.00 H new ATOM 0 HG11 VAL A 86 82.174 66.063 40.382 1.00 0.00 H new ATOM 0 HG12 VAL A 86 80.919 65.013 41.081 1.00 0.00 H new ATOM 0 HG13 VAL A 86 80.732 66.782 41.137 1.00 0.00 H new ATOM 0 HG21 VAL A 86 83.618 67.360 41.727 1.00 0.00 H new ATOM 0 HG22 VAL A 86 82.235 68.143 42.528 1.00 0.00 H new ATOM 0 HG23 VAL A 86 83.510 67.373 43.503 1.00 0.00 H new ATOM 1249 N PHE A 87 81.026 63.440 43.175 1.00 0.00 N ATOM 1250 CA PHE A 87 80.441 62.106 42.957 1.00 0.00 C ATOM 1251 C PHE A 87 81.562 61.109 42.595 1.00 0.00 C ATOM 1252 O PHE A 87 82.568 61.514 42.007 1.00 0.00 O ATOM 1253 CB PHE A 87 79.438 62.140 41.787 1.00 0.00 C ATOM 1254 CG PHE A 87 77.975 61.878 42.112 1.00 0.00 C ATOM 1255 CD1 PHE A 87 77.602 60.788 42.926 1.00 0.00 C ATOM 1256 CD2 PHE A 87 76.978 62.689 41.538 1.00 0.00 C ATOM 1257 CE1 PHE A 87 76.244 60.520 43.166 1.00 0.00 C ATOM 1258 CE2 PHE A 87 75.612 62.407 41.769 1.00 0.00 C ATOM 1259 CZ PHE A 87 75.250 61.320 42.586 1.00 0.00 C ATOM 0 H PHE A 87 81.985 63.492 42.832 1.00 0.00 H new ATOM 0 HA PHE A 87 79.930 61.802 43.870 1.00 0.00 H new ATOM 0 HB2 PHE A 87 79.508 63.119 41.312 1.00 0.00 H new ATOM 0 HB3 PHE A 87 79.756 61.404 41.049 1.00 0.00 H new ATOM 0 HD1 PHE A 87 78.362 60.158 43.365 1.00 0.00 H new ATOM 0 HD2 PHE A 87 77.257 63.529 40.919 1.00 0.00 H new ATOM 0 HE1 PHE A 87 75.964 59.693 43.801 1.00 0.00 H new ATOM 0 HE2 PHE A 87 74.848 63.024 41.320 1.00 0.00 H new ATOM 0 HZ PHE A 87 74.208 61.102 42.766 1.00 0.00 H new ATOM 1269 N GLY A 88 81.374 59.815 42.855 1.00 0.00 N ATOM 1270 CA GLY A 88 82.328 58.766 42.476 1.00 0.00 C ATOM 1271 C GLY A 88 81.784 57.333 42.560 1.00 0.00 C ATOM 1272 O GLY A 88 80.583 57.118 42.741 1.00 0.00 O ATOM 0 H GLY A 88 80.549 59.460 43.339 1.00 0.00 H new ATOM 0 HA2 GLY A 88 82.663 58.952 41.456 1.00 0.00 H new ATOM 0 HA3 GLY A 88 83.205 58.844 43.119 1.00 0.00 H new ATOM 1276 N GLY A 89 82.676 56.357 42.403 1.00 0.00 N ATOM 1277 CA GLY A 89 82.384 54.927 42.374 1.00 0.00 C ATOM 1278 C GLY A 89 83.628 54.056 42.630 1.00 0.00 C ATOM 1279 O GLY A 89 84.620 54.539 43.181 1.00 0.00 O ATOM 0 H GLY A 89 83.670 56.553 42.287 1.00 0.00 H new ATOM 0 HA2 GLY A 89 81.627 54.701 43.125 1.00 0.00 H new ATOM 0 HA3 GLY A 89 81.958 54.668 41.405 1.00 0.00 H new ATOM 1283 N GLY A 90 83.576 52.779 42.231 1.00 0.00 N ATOM 1284 CA GLY A 90 84.712 51.849 42.305 1.00 0.00 C ATOM 1285 C GLY A 90 84.438 50.629 43.200 1.00 0.00 C ATOM 1286 O GLY A 90 85.003 50.528 44.286 1.00 0.00 O ATOM 0 H GLY A 90 82.733 52.356 41.842 1.00 0.00 H new ATOM 0 HA2 GLY A 90 84.959 51.506 41.300 1.00 0.00 H new ATOM 0 HA3 GLY A 90 85.585 52.381 42.684 1.00 0.00 H new ATOM 1290 N LYS A 91 83.576 49.720 42.745 1.00 0.00 N ATOM 1291 CA LYS A 91 83.180 48.490 43.453 1.00 0.00 C ATOM 1292 C LYS A 91 83.100 47.300 42.495 1.00 0.00 C ATOM 1293 O LYS A 91 82.489 47.414 41.429 1.00 0.00 O ATOM 1294 CB LYS A 91 81.825 48.679 44.157 1.00 0.00 C ATOM 1295 CG LYS A 91 81.738 49.912 45.064 1.00 0.00 C ATOM 1296 CD LYS A 91 80.463 49.895 45.927 1.00 0.00 C ATOM 1297 CE LYS A 91 80.635 48.914 47.094 1.00 0.00 C ATOM 1298 NZ LYS A 91 79.355 48.599 47.756 1.00 0.00 N ATOM 0 H LYS A 91 83.114 49.818 41.841 1.00 0.00 H new ATOM 0 HA LYS A 91 83.945 48.283 44.201 1.00 0.00 H new ATOM 0 HB2 LYS A 91 81.044 48.747 43.399 1.00 0.00 H new ATOM 0 HB3 LYS A 91 81.614 47.791 44.753 1.00 0.00 H new ATOM 0 HG2 LYS A 91 82.615 49.951 45.711 1.00 0.00 H new ATOM 0 HG3 LYS A 91 81.752 50.815 44.453 1.00 0.00 H new ATOM 0 HD2 LYS A 91 80.258 50.895 46.309 1.00 0.00 H new ATOM 0 HD3 LYS A 91 79.606 49.604 45.319 1.00 0.00 H new ATOM 0 HE2 LYS A 91 81.088 47.993 46.727 1.00 0.00 H new ATOM 0 HE3 LYS A 91 81.324 49.339 47.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 79.523 47.933 48.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 78.934 49.473 48.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 78.705 48.168 47.068 1.00 0.00 H new ATOM 1312 N VAL A 92 83.632 46.140 42.893 1.00 0.00 N ATOM 1313 CA VAL A 92 83.715 44.898 42.082 1.00 0.00 C ATOM 1314 C VAL A 92 82.651 43.851 42.501 1.00 0.00 C ATOM 1315 O VAL A 92 82.855 42.647 42.443 1.00 0.00 O ATOM 1316 CB VAL A 92 85.186 44.410 42.014 1.00 0.00 C ATOM 1317 CG1 VAL A 92 85.435 43.140 41.186 1.00 0.00 C ATOM 1318 CG2 VAL A 92 86.033 45.499 41.337 1.00 0.00 C ATOM 0 H VAL A 92 84.035 46.025 43.823 1.00 0.00 H new ATOM 0 HA VAL A 92 83.439 45.104 41.048 1.00 0.00 H new ATOM 0 HB VAL A 92 85.446 44.192 43.050 1.00 0.00 H new ATOM 0 HG11 VAL A 92 86.496 42.893 41.209 1.00 0.00 H new ATOM 0 HG12 VAL A 92 84.861 42.314 41.605 1.00 0.00 H new ATOM 0 HG13 VAL A 92 85.125 43.311 40.155 1.00 0.00 H new ATOM 0 HG21 VAL A 92 87.071 45.171 41.282 1.00 0.00 H new ATOM 0 HG22 VAL A 92 85.656 45.680 40.331 1.00 0.00 H new ATOM 0 HG23 VAL A 92 85.974 46.419 41.918 1.00 0.00 H new ATOM 1328 N ILE A 93 81.470 44.326 42.927 1.00 0.00 N ATOM 1329 CA ILE A 93 80.239 43.552 43.186 1.00 0.00 C ATOM 1330 C ILE A 93 79.051 44.295 42.575 1.00 0.00 C ATOM 1331 O ILE A 93 78.122 43.658 42.021 1.00 0.00 O ATOM 1332 CB ILE A 93 80.028 43.292 44.696 1.00 0.00 C ATOM 1333 CG1 ILE A 93 81.233 42.619 45.419 1.00 0.00 C ATOM 1334 CG2 ILE A 93 78.809 42.365 44.881 1.00 0.00 C ATOM 1335 CD1 ILE A 93 82.252 43.615 45.996 1.00 0.00 C ATOM 0 H ILE A 93 81.338 45.320 43.112 1.00 0.00 H new ATOM 0 HA ILE A 93 80.332 42.572 42.719 1.00 0.00 H new ATOM 0 HB ILE A 93 79.892 44.277 45.143 1.00 0.00 H new ATOM 0 HG12 ILE A 93 80.855 41.993 46.227 1.00 0.00 H new ATOM 0 HG13 ILE A 93 81.743 41.960 44.717 1.00 0.00 H new ATOM 0 HG21 ILE A 93 78.653 42.176 45.943 1.00 0.00 H new ATOM 0 HG22 ILE A 93 77.922 42.842 44.463 1.00 0.00 H new ATOM 0 HG23 ILE A 93 78.989 41.421 44.367 1.00 0.00 H new ATOM 0 HD11 ILE A 93 83.060 43.068 46.483 1.00 0.00 H new ATOM 0 HD12 ILE A 93 82.661 44.225 45.190 1.00 0.00 H new ATOM 0 HD13 ILE A 93 81.759 44.259 46.725 1.00 0.00 H new TER 1347 ILE A 93