USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 810 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 2 SER OG : rot -37:sc= 1.23 USER MOD Single : A 4 ASN : amide:sc= -0.0124 X(o=-0.012,f=-0.062) USER MOD Single : A 11 GLN : amide:sc= 0.207 K(o=0.21,f=-3.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0.949 (180deg=0.9) USER MOD Single : A 17 TYR OH : rot -30:sc= 0.0733 USER MOD Single : A 19 THR OG1 : rot 175:sc= 1.15 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -150:sc= 0.00406 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0881 (180deg=-0.428) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0485 K(o=-0.048,f=-1.3!) USER MOD Single : A 39 SER OG : rot 15:sc= -0.686! USER MOD Single : A 41 SER OG : rot -160:sc= -2.37! USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.101 (180deg=-0.454) USER MOD Single : A 61 MET CE :methyl -136:sc= -0.548 (180deg=-1.61!) USER MOD Single : A 62 THR OG1 : rot 93:sc= 0.0467 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 152:sc= -0.0715 (180deg=-0.423) USER MOD Single : A 67 ASN : amide:sc= -0.835 K(o=-0.83,f=-3.7!) USER MOD Single : A 72 ASN : amide:sc= -2.59 K(o=-2.6,f=-4.3!) USER MOD Single : A 76 SER OG : rot 35:sc= -0.461 USER MOD Single : A 78 GLN : amide:sc=-0.00677 K(o=-0.0068,f=-1) USER MOD Single : A 79 LYS NZ :NH3+ -130:sc= 1.24 (180deg=0.419) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.17) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0816) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 1.02 (180deg=0.977) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 161:sc= -0.153 (180deg=-0.671) USER MOD ----------------------------------------------------------------- ATOM 14 N SER A 2 -5.168 20.724 -3.416 1.00 0.00 N ATOM 15 CA SER A 2 -5.422 19.671 -4.379 1.00 0.00 C ATOM 16 C SER A 2 -4.206 18.763 -4.532 1.00 0.00 C ATOM 17 O SER A 2 -3.548 18.742 -5.576 1.00 0.00 O ATOM 18 CB SER A 2 -5.809 20.278 -5.728 1.00 0.00 C ATOM 19 OG SER A 2 -6.899 21.178 -5.584 1.00 0.00 O ATOM 0 HA SER A 2 -6.250 19.063 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.954 20.802 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.077 19.484 -6.425 1.00 0.00 H new ATOM 0 HG SER A 2 -7.526 20.829 -4.916 1.00 0.00 H new ATOM 25 N ARG A 3 -3.889 18.034 -3.474 1.00 0.00 N ATOM 26 CA ARG A 3 -2.829 17.044 -3.537 1.00 0.00 C ATOM 27 C ARG A 3 -3.397 15.760 -4.124 1.00 0.00 C ATOM 28 O ARG A 3 -4.548 15.415 -3.856 1.00 0.00 O ATOM 29 CB ARG A 3 -2.233 16.796 -2.144 1.00 0.00 C ATOM 30 CG ARG A 3 -1.020 15.877 -2.152 1.00 0.00 C ATOM 31 CD ARG A 3 0.115 16.451 -2.986 1.00 0.00 C ATOM 32 NE ARG A 3 1.217 15.502 -3.130 1.00 0.00 N ATOM 33 CZ ARG A 3 1.648 15.039 -4.305 1.00 0.00 C ATOM 34 NH1 ARG A 3 1.104 15.475 -5.435 1.00 0.00 N ATOM 35 NH2 ARG A 3 2.640 14.157 -4.356 1.00 0.00 N ATOM 0 H ARG A 3 -4.348 18.109 -2.566 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.023 17.408 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.950 17.752 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.001 16.364 -1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.676 15.719 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.305 14.902 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -0.261 16.724 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.482 17.366 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 3 1.683 15.175 -2.284 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.354 16.166 -5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.436 15.119 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.077 13.830 -3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.965 13.807 -5.257 1.00 0.00 H new ATOM 49 N ASN A 4 -2.618 15.079 -4.958 1.00 0.00 N ATOM 50 CA ASN A 4 -3.078 13.849 -5.593 1.00 0.00 C ATOM 51 C ASN A 4 -1.938 12.844 -5.747 1.00 0.00 C ATOM 52 O ASN A 4 -0.861 13.177 -6.244 1.00 0.00 O ATOM 53 CB ASN A 4 -3.715 14.148 -6.962 1.00 0.00 C ATOM 54 CG ASN A 4 -2.780 14.874 -7.919 1.00 0.00 C ATOM 55 OD1 ASN A 4 -2.020 14.251 -8.657 1.00 0.00 O ATOM 56 ND2 ASN A 4 -2.847 16.199 -7.936 1.00 0.00 N ATOM 0 H ASN A 4 -1.669 15.356 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.834 13.406 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.034 13.211 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.611 14.751 -6.814 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -2.257 16.731 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.489 16.685 -7.310 1.00 0.00 H new ATOM 63 N PRO A 5 -2.158 11.608 -5.273 1.00 0.00 N ATOM 64 CA PRO A 5 -1.238 10.500 -5.448 1.00 0.00 C ATOM 65 C PRO A 5 -1.643 9.633 -6.643 1.00 0.00 C ATOM 66 O PRO A 5 -2.169 10.142 -7.633 1.00 0.00 O ATOM 67 CB PRO A 5 -1.413 9.756 -4.126 1.00 0.00 C ATOM 68 CG PRO A 5 -2.851 9.956 -3.761 1.00 0.00 C ATOM 69 CD PRO A 5 -3.331 11.185 -4.498 1.00 0.00 C ATOM 0 HA PRO A 5 -0.209 10.794 -5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.176 8.698 -4.234 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.751 10.154 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -3.444 9.084 -4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.960 10.086 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.178 10.958 -5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.657 11.964 -3.808 1.00 0.00 H new ATOM 77 N GLU A 6 -1.393 8.331 -6.565 1.00 0.00 N ATOM 78 CA GLU A 6 -1.758 7.429 -7.643 1.00 0.00 C ATOM 79 C GLU A 6 -3.193 6.929 -7.468 1.00 0.00 C ATOM 80 O GLU A 6 -3.557 6.429 -6.402 1.00 0.00 O ATOM 81 CB GLU A 6 -0.795 6.245 -7.686 1.00 0.00 C ATOM 82 CG GLU A 6 -0.653 5.647 -9.071 1.00 0.00 C ATOM 83 CD GLU A 6 -0.074 6.637 -10.059 1.00 0.00 C ATOM 84 OE1 GLU A 6 -0.847 7.415 -10.652 1.00 0.00 O ATOM 85 OE2 GLU A 6 1.160 6.645 -10.240 1.00 0.00 O ATOM 0 H GLU A 6 -0.941 7.881 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.694 7.976 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.185 6.568 -7.333 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.144 5.475 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.012 4.767 -9.022 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.629 5.312 -9.423 1.00 0.00 H new ATOM 92 N VAL A 7 -4.001 7.074 -8.513 1.00 0.00 N ATOM 93 CA VAL A 7 -5.388 6.630 -8.482 1.00 0.00 C ATOM 94 C VAL A 7 -5.662 5.639 -9.613 1.00 0.00 C ATOM 95 O VAL A 7 -5.625 5.995 -10.793 1.00 0.00 O ATOM 96 CB VAL A 7 -6.369 7.818 -8.598 1.00 0.00 C ATOM 97 CG1 VAL A 7 -7.809 7.332 -8.577 1.00 0.00 C ATOM 98 CG2 VAL A 7 -6.130 8.828 -7.482 1.00 0.00 C ATOM 0 H VAL A 7 -3.716 7.498 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.547 6.141 -7.521 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.188 8.313 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.482 8.185 -8.660 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.977 6.655 -9.414 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.002 6.807 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.832 9.656 -7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.277 8.345 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.110 9.207 -7.547 1.00 0.00 H new ATOM 108 N LEU A 8 -5.919 4.394 -9.249 1.00 0.00 N ATOM 109 CA LEU A 8 -6.212 3.355 -10.219 1.00 0.00 C ATOM 110 C LEU A 8 -7.663 2.917 -10.097 1.00 0.00 C ATOM 111 O LEU A 8 -8.251 2.993 -9.022 1.00 0.00 O ATOM 112 CB LEU A 8 -5.288 2.157 -10.004 1.00 0.00 C ATOM 113 CG LEU A 8 -3.815 2.507 -9.830 1.00 0.00 C ATOM 114 CD1 LEU A 8 -3.017 1.279 -9.427 1.00 0.00 C ATOM 115 CD2 LEU A 8 -3.254 3.117 -11.106 1.00 0.00 C ATOM 0 H LEU A 8 -5.930 4.077 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.046 3.755 -11.219 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.624 1.611 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.388 1.482 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.731 3.246 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.968 1.550 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.401 0.889 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.109 0.516 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.201 3.360 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.352 2.404 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.806 4.025 -11.348 1.00 0.00 H new ATOM 127 N TRP A 9 -8.246 2.488 -11.198 1.00 0.00 N ATOM 128 CA TRP A 9 -9.601 1.961 -11.173 1.00 0.00 C ATOM 129 C TRP A 9 -9.657 0.599 -11.844 1.00 0.00 C ATOM 130 O TRP A 9 -8.884 0.309 -12.757 1.00 0.00 O ATOM 131 CB TRP A 9 -10.598 2.923 -11.838 1.00 0.00 C ATOM 132 CG TRP A 9 -10.270 3.251 -13.264 1.00 0.00 C ATOM 133 CD1 TRP A 9 -9.216 3.984 -13.701 1.00 0.00 C ATOM 134 CD2 TRP A 9 -11.008 2.872 -14.432 1.00 0.00 C ATOM 135 NE1 TRP A 9 -9.240 4.088 -15.069 1.00 0.00 N ATOM 136 CE2 TRP A 9 -10.331 3.414 -15.543 1.00 0.00 C ATOM 137 CE3 TRP A 9 -12.170 2.126 -14.653 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -10.778 3.234 -16.848 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -12.613 1.952 -15.950 1.00 0.00 C ATOM 140 CH2 TRP A 9 -11.917 2.503 -17.032 1.00 0.00 C ATOM 0 H TRP A 9 -7.808 2.492 -12.119 1.00 0.00 H new ATOM 0 HA TRP A 9 -9.890 1.853 -10.127 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -11.594 2.483 -11.797 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.634 3.848 -11.262 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.464 4.424 -13.063 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.556 4.586 -15.639 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.711 1.694 -13.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.244 3.657 -17.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.512 1.381 -16.132 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -12.289 2.347 -18.034 1.00 0.00 H new ATOM 151 N ALA A 10 -10.561 -0.230 -11.358 1.00 0.00 N ATOM 152 CA ALA A 10 -10.786 -1.558 -11.910 1.00 0.00 C ATOM 153 C ALA A 10 -12.261 -1.925 -11.784 1.00 0.00 C ATOM 154 O ALA A 10 -12.759 -2.162 -10.686 1.00 0.00 O ATOM 155 CB ALA A 10 -9.912 -2.587 -11.201 1.00 0.00 C ATOM 0 H ALA A 10 -11.163 -0.003 -10.567 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.513 -1.554 -12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.094 -3.574 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.862 -2.324 -11.330 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.155 -2.600 -10.138 1.00 0.00 H new ATOM 161 N GLN A 11 -12.953 -1.960 -12.906 1.00 0.00 N ATOM 162 CA GLN A 11 -14.390 -2.190 -12.909 1.00 0.00 C ATOM 163 C GLN A 11 -14.740 -3.639 -13.226 1.00 0.00 C ATOM 164 O GLN A 11 -13.951 -4.374 -13.815 1.00 0.00 O ATOM 165 CB GLN A 11 -15.106 -1.253 -13.897 1.00 0.00 C ATOM 166 CG GLN A 11 -14.294 -0.844 -15.129 1.00 0.00 C ATOM 167 CD GLN A 11 -13.629 -2.002 -15.853 1.00 0.00 C ATOM 168 OE1 GLN A 11 -12.467 -2.316 -15.601 1.00 0.00 O ATOM 169 NE2 GLN A 11 -14.356 -2.646 -16.745 1.00 0.00 N ATOM 0 H GLN A 11 -12.544 -1.832 -13.832 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.738 -1.971 -11.899 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.022 -1.740 -14.233 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -15.402 -0.350 -13.363 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -14.951 -0.324 -15.826 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.526 -0.133 -14.824 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -15.317 -2.355 -16.926 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.958 -3.435 -17.254 1.00 0.00 H new ATOM 178 N ARG A 12 -15.931 -4.035 -12.808 1.00 0.00 N ATOM 179 CA ARG A 12 -16.464 -5.354 -13.104 1.00 0.00 C ATOM 180 C ARG A 12 -17.876 -5.202 -13.659 1.00 0.00 C ATOM 181 O ARG A 12 -18.335 -4.082 -13.894 1.00 0.00 O ATOM 182 CB ARG A 12 -16.489 -6.223 -11.842 1.00 0.00 C ATOM 183 CG ARG A 12 -15.177 -6.233 -11.073 1.00 0.00 C ATOM 184 CD ARG A 12 -15.201 -7.232 -9.928 1.00 0.00 C ATOM 185 NE ARG A 12 -15.193 -8.610 -10.414 1.00 0.00 N ATOM 186 CZ ARG A 12 -14.452 -9.583 -9.878 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.718 -9.345 -8.798 1.00 0.00 N ATOM 188 NH2 ARG A 12 -14.459 -10.800 -10.414 1.00 0.00 N ATOM 0 H ARG A 12 -16.556 -3.450 -12.253 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.825 -5.843 -13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -17.282 -5.867 -11.184 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -16.742 -7.246 -12.122 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.360 -6.478 -11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.978 -5.236 -10.681 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -14.337 -7.068 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.089 -7.066 -9.319 1.00 0.00 H new ATOM 0 HE ARG A 12 -15.788 -8.842 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.719 -8.417 -8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.153 -10.090 -8.391 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.031 -10.992 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.892 -11.542 -10.003 1.00 0.00 H new ATOM 202 N SER A 13 -18.562 -6.315 -13.857 1.00 0.00 N ATOM 203 CA SER A 13 -19.919 -6.285 -14.391 1.00 0.00 C ATOM 204 C SER A 13 -20.914 -5.813 -13.331 1.00 0.00 C ATOM 205 O SER A 13 -21.985 -5.292 -13.653 1.00 0.00 O ATOM 206 CB SER A 13 -20.312 -7.673 -14.889 1.00 0.00 C ATOM 207 OG SER A 13 -19.256 -8.258 -15.634 1.00 0.00 O ATOM 0 H SER A 13 -18.206 -7.250 -13.658 1.00 0.00 H new ATOM 0 HA SER A 13 -19.944 -5.581 -15.222 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.562 -8.311 -14.041 1.00 0.00 H new ATOM 0 HB3 SER A 13 -21.205 -7.602 -15.510 1.00 0.00 H new ATOM 0 HG SER A 13 -19.527 -9.148 -15.943 1.00 0.00 H new ATOM 213 N ASP A 14 -20.542 -5.983 -12.071 1.00 0.00 N ATOM 214 CA ASP A 14 -21.418 -5.665 -10.950 1.00 0.00 C ATOM 215 C ASP A 14 -20.914 -4.452 -10.168 1.00 0.00 C ATOM 216 O ASP A 14 -21.650 -3.486 -9.957 1.00 0.00 O ATOM 217 CB ASP A 14 -21.544 -6.884 -10.018 1.00 0.00 C ATOM 218 CG ASP A 14 -20.203 -7.371 -9.484 1.00 0.00 C ATOM 219 OD1 ASP A 14 -19.263 -7.547 -10.290 1.00 0.00 O ATOM 220 OD2 ASP A 14 -20.083 -7.577 -8.260 1.00 0.00 O ATOM 0 H ASP A 14 -19.628 -6.344 -11.796 1.00 0.00 H new ATOM 0 HA ASP A 14 -22.400 -5.415 -11.352 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -22.190 -6.627 -9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -22.030 -7.697 -10.557 1.00 0.00 H new ATOM 225 N LYS A 15 -19.654 -4.493 -9.758 1.00 0.00 N ATOM 226 CA LYS A 15 -19.086 -3.444 -8.919 1.00 0.00 C ATOM 227 C LYS A 15 -17.812 -2.880 -9.533 1.00 0.00 C ATOM 228 O LYS A 15 -17.349 -3.351 -10.569 1.00 0.00 O ATOM 229 CB LYS A 15 -18.799 -3.991 -7.517 1.00 0.00 C ATOM 230 CG LYS A 15 -18.014 -5.293 -7.523 1.00 0.00 C ATOM 231 CD LYS A 15 -17.714 -5.780 -6.115 1.00 0.00 C ATOM 232 CE LYS A 15 -17.146 -7.191 -6.130 1.00 0.00 C ATOM 233 NZ LYS A 15 -18.172 -8.201 -6.510 1.00 0.00 N ATOM 0 H LYS A 15 -19.003 -5.243 -9.993 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.813 -2.635 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.243 -3.244 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -19.744 -4.148 -6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.580 -6.056 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.079 -5.151 -8.065 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.004 -5.105 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.626 -5.759 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.313 -7.239 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.748 -7.432 -5.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.719 -9.130 -6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.896 -8.257 -5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.619 -7.922 -7.407 1.00 0.00 H new ATOM 247 N VAL A 16 -17.256 -1.868 -8.890 1.00 0.00 N ATOM 248 CA VAL A 16 -16.026 -1.246 -9.345 1.00 0.00 C ATOM 249 C VAL A 16 -15.101 -0.974 -8.158 1.00 0.00 C ATOM 250 O VAL A 16 -15.561 -0.654 -7.058 1.00 0.00 O ATOM 251 CB VAL A 16 -16.314 0.073 -10.108 1.00 0.00 C ATOM 252 CG1 VAL A 16 -17.016 1.089 -9.213 1.00 0.00 C ATOM 253 CG2 VAL A 16 -15.035 0.660 -10.686 1.00 0.00 C ATOM 0 H VAL A 16 -17.643 -1.456 -8.041 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.534 -1.935 -10.032 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.983 -0.165 -10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.204 2.002 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.963 0.675 -8.866 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -16.384 1.316 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.266 1.584 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.334 0.870 -9.878 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.588 -0.053 -11.379 1.00 0.00 H new ATOM 263 N TYR A 17 -13.805 -1.137 -8.374 1.00 0.00 N ATOM 264 CA TYR A 17 -12.817 -0.859 -7.345 1.00 0.00 C ATOM 265 C TYR A 17 -12.105 0.446 -7.652 1.00 0.00 C ATOM 266 O TYR A 17 -11.753 0.710 -8.805 1.00 0.00 O ATOM 267 CB TYR A 17 -11.776 -1.980 -7.252 1.00 0.00 C ATOM 268 CG TYR A 17 -12.348 -3.369 -7.072 1.00 0.00 C ATOM 269 CD1 TYR A 17 -13.500 -3.594 -6.326 1.00 0.00 C ATOM 270 CD2 TYR A 17 -11.720 -4.462 -7.651 1.00 0.00 C ATOM 271 CE1 TYR A 17 -14.008 -4.868 -6.166 1.00 0.00 C ATOM 272 CE2 TYR A 17 -12.221 -5.738 -7.495 1.00 0.00 C ATOM 273 CZ TYR A 17 -13.366 -5.937 -6.753 1.00 0.00 C ATOM 274 OH TYR A 17 -13.866 -7.211 -6.594 1.00 0.00 O ATOM 0 H TYR A 17 -13.412 -1.462 -9.257 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.342 -0.788 -6.393 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.169 -1.968 -8.157 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.108 -1.767 -6.417 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -14.005 -2.759 -5.864 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.823 -4.312 -8.234 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.904 -5.026 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -11.718 -6.578 -7.952 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.323 -7.277 -5.730 1.00 0.00 H new ATOM 284 N LEU A 18 -11.908 1.260 -6.628 1.00 0.00 N ATOM 285 CA LEU A 18 -11.140 2.483 -6.763 1.00 0.00 C ATOM 286 C LEU A 18 -9.906 2.384 -5.873 1.00 0.00 C ATOM 287 O LEU A 18 -10.014 2.409 -4.650 1.00 0.00 O ATOM 288 CB LEU A 18 -12.005 3.694 -6.373 1.00 0.00 C ATOM 289 CG LEU A 18 -11.592 5.047 -6.971 1.00 0.00 C ATOM 290 CD1 LEU A 18 -10.260 5.522 -6.412 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.528 4.956 -8.488 1.00 0.00 C ATOM 0 H LEU A 18 -12.272 1.093 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.826 2.618 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.034 3.489 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.998 3.784 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.349 5.780 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.000 6.482 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.338 5.633 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.486 4.792 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.234 5.922 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.796 4.201 -8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.508 4.679 -8.878 1.00 0.00 H new ATOM 303 N THR A 19 -8.747 2.263 -6.493 1.00 0.00 N ATOM 304 CA THR A 19 -7.506 2.049 -5.771 1.00 0.00 C ATOM 305 C THR A 19 -6.701 3.342 -5.668 1.00 0.00 C ATOM 306 O THR A 19 -6.064 3.763 -6.629 1.00 0.00 O ATOM 307 CB THR A 19 -6.644 0.978 -6.479 1.00 0.00 C ATOM 308 OG1 THR A 19 -7.370 -0.252 -6.603 1.00 0.00 O ATOM 309 CG2 THR A 19 -5.357 0.728 -5.715 1.00 0.00 C ATOM 0 H THR A 19 -8.639 2.310 -7.506 1.00 0.00 H new ATOM 0 HA THR A 19 -7.765 1.708 -4.769 1.00 0.00 H new ATOM 0 HB THR A 19 -6.399 1.353 -7.473 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.844 -0.891 -7.127 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.768 -0.029 -6.233 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.785 1.654 -5.653 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.593 0.379 -4.709 1.00 0.00 H new ATOM 317 N VAL A 20 -6.728 3.977 -4.510 1.00 0.00 N ATOM 318 CA VAL A 20 -5.934 5.173 -4.305 1.00 0.00 C ATOM 319 C VAL A 20 -4.735 4.864 -3.413 1.00 0.00 C ATOM 320 O VAL A 20 -4.876 4.276 -2.339 1.00 0.00 O ATOM 321 CB VAL A 20 -6.769 6.338 -3.713 1.00 0.00 C ATOM 322 CG1 VAL A 20 -7.370 5.970 -2.363 1.00 0.00 C ATOM 323 CG2 VAL A 20 -5.925 7.603 -3.609 1.00 0.00 C ATOM 0 H VAL A 20 -7.285 3.688 -3.706 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.578 5.500 -5.282 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.598 6.532 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.948 6.811 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.022 5.105 -2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.570 5.730 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.528 8.409 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.069 7.417 -2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.574 7.889 -4.601 1.00 0.00 H new ATOM 333 N ALA A 21 -3.548 5.222 -3.882 1.00 0.00 N ATOM 334 CA ALA A 21 -2.339 5.008 -3.107 1.00 0.00 C ATOM 335 C ALA A 21 -2.234 6.060 -2.018 1.00 0.00 C ATOM 336 O ALA A 21 -1.763 7.172 -2.252 1.00 0.00 O ATOM 337 CB ALA A 21 -1.111 5.037 -4.005 1.00 0.00 C ATOM 0 H ALA A 21 -3.399 5.660 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.389 4.024 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.217 4.875 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.191 4.251 -4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.045 6.006 -4.500 1.00 0.00 H new ATOM 343 N LEU A 22 -2.698 5.702 -0.835 1.00 0.00 N ATOM 344 CA LEU A 22 -2.776 6.639 0.267 1.00 0.00 C ATOM 345 C LEU A 22 -1.755 6.272 1.338 1.00 0.00 C ATOM 346 O LEU A 22 -1.859 5.217 1.965 1.00 0.00 O ATOM 347 CB LEU A 22 -4.190 6.632 0.857 1.00 0.00 C ATOM 348 CG LEU A 22 -4.611 7.920 1.560 1.00 0.00 C ATOM 349 CD1 LEU A 22 -4.712 9.057 0.554 1.00 0.00 C ATOM 350 CD2 LEU A 22 -5.934 7.727 2.280 1.00 0.00 C ATOM 0 H LEU A 22 -3.028 4.763 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.552 7.641 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.899 6.427 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.265 5.809 1.567 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.854 8.176 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.013 9.971 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.743 9.210 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.453 8.806 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.218 8.656 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.703 7.450 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.832 6.936 3.023 1.00 0.00 H new ATOM 362 N PRO A 23 -0.746 7.132 1.548 1.00 0.00 N ATOM 363 CA PRO A 23 0.298 6.895 2.551 1.00 0.00 C ATOM 364 C PRO A 23 -0.275 6.794 3.963 1.00 0.00 C ATOM 365 O PRO A 23 -0.120 5.774 4.636 1.00 0.00 O ATOM 366 CB PRO A 23 1.212 8.121 2.427 1.00 0.00 C ATOM 367 CG PRO A 23 0.391 9.152 1.730 1.00 0.00 C ATOM 368 CD PRO A 23 -0.539 8.395 0.823 1.00 0.00 C ATOM 0 HA PRO A 23 0.816 5.951 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 23 1.535 8.472 3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.112 7.885 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.167 9.756 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.022 9.834 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.476 8.930 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.099 8.229 -0.160 1.00 0.00 H new ATOM 376 N ASP A 24 -0.954 7.844 4.398 1.00 0.00 N ATOM 377 CA ASP A 24 -1.503 7.892 5.745 1.00 0.00 C ATOM 378 C ASP A 24 -2.929 8.423 5.715 1.00 0.00 C ATOM 379 O ASP A 24 -3.156 9.602 5.425 1.00 0.00 O ATOM 380 CB ASP A 24 -0.630 8.765 6.646 1.00 0.00 C ATOM 381 CG ASP A 24 -1.124 8.787 8.075 1.00 0.00 C ATOM 382 OD1 ASP A 24 -1.103 7.724 8.727 1.00 0.00 O ATOM 383 OD2 ASP A 24 -1.521 9.865 8.554 1.00 0.00 O ATOM 0 H ASP A 24 -1.139 8.676 3.837 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.516 6.880 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.395 8.395 6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.611 9.782 6.255 1.00 0.00 H new ATOM 388 N ALA A 25 -3.879 7.542 6.009 1.00 0.00 N ATOM 389 CA ALA A 25 -5.297 7.864 5.919 1.00 0.00 C ATOM 390 C ALA A 25 -5.762 8.718 7.094 1.00 0.00 C ATOM 391 O ALA A 25 -5.689 8.299 8.252 1.00 0.00 O ATOM 392 CB ALA A 25 -6.113 6.583 5.847 1.00 0.00 C ATOM 0 H ALA A 25 -3.688 6.588 6.315 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.450 8.447 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.173 6.830 5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.817 6.012 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.935 5.988 6.743 1.00 0.00 H new ATOM 398 N LYS A 26 -6.247 9.914 6.787 1.00 0.00 N ATOM 399 CA LYS A 26 -6.759 10.826 7.797 1.00 0.00 C ATOM 400 C LYS A 26 -7.986 11.563 7.277 1.00 0.00 C ATOM 401 O LYS A 26 -8.019 11.961 6.113 1.00 0.00 O ATOM 402 CB LYS A 26 -5.682 11.841 8.192 1.00 0.00 C ATOM 403 CG LYS A 26 -4.603 11.278 9.098 1.00 0.00 C ATOM 404 CD LYS A 26 -5.165 10.932 10.465 1.00 0.00 C ATOM 405 CE LYS A 26 -5.722 12.165 11.161 1.00 0.00 C ATOM 406 NZ LYS A 26 -6.307 11.848 12.489 1.00 0.00 N ATOM 0 H LYS A 26 -6.296 10.276 5.835 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.040 10.241 8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.215 12.230 7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.158 12.684 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.170 10.387 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.798 12.005 9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.952 10.185 10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.383 10.486 11.080 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.927 12.901 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.485 12.622 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.673 12.719 12.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.084 11.166 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.574 11.437 13.102 1.00 0.00 H new ATOM 420 N ASP A 27 -8.994 11.703 8.144 1.00 0.00 N ATOM 421 CA ASP A 27 -10.202 12.493 7.859 1.00 0.00 C ATOM 422 C ASP A 27 -10.705 12.290 6.436 1.00 0.00 C ATOM 423 O ASP A 27 -10.844 13.248 5.671 1.00 0.00 O ATOM 424 CB ASP A 27 -9.937 13.984 8.108 1.00 0.00 C ATOM 425 CG ASP A 27 -9.858 14.332 9.580 1.00 0.00 C ATOM 426 OD1 ASP A 27 -9.100 13.671 10.316 1.00 0.00 O ATOM 427 OD2 ASP A 27 -10.550 15.282 10.007 1.00 0.00 O ATOM 0 H ASP A 27 -8.997 11.271 9.068 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.979 12.140 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.003 14.268 7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.729 14.571 7.643 1.00 0.00 H new ATOM 432 N ILE A 28 -10.968 11.042 6.081 1.00 0.00 N ATOM 433 CA ILE A 28 -11.424 10.722 4.739 1.00 0.00 C ATOM 434 C ILE A 28 -12.912 11.027 4.601 1.00 0.00 C ATOM 435 O ILE A 28 -13.755 10.323 5.159 1.00 0.00 O ATOM 436 CB ILE A 28 -11.167 9.238 4.389 1.00 0.00 C ATOM 437 CG1 ILE A 28 -9.681 8.896 4.548 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.631 8.942 2.967 1.00 0.00 C ATOM 439 CD1 ILE A 28 -9.364 7.439 4.291 1.00 0.00 C ATOM 0 H ILE A 28 -10.874 10.238 6.701 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.856 11.340 4.044 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.738 8.617 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.100 9.512 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.363 9.156 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.444 7.894 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.698 9.148 2.882 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.083 9.573 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.295 7.271 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.918 6.817 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.650 7.179 3.272 1.00 0.00 H new ATOM 451 N SER A 29 -13.232 12.086 3.873 1.00 0.00 N ATOM 452 CA SER A 29 -14.613 12.453 3.643 1.00 0.00 C ATOM 453 C SER A 29 -14.980 12.172 2.192 1.00 0.00 C ATOM 454 O SER A 29 -14.444 12.791 1.267 1.00 0.00 O ATOM 455 CB SER A 29 -14.832 13.930 3.981 1.00 0.00 C ATOM 456 OG SER A 29 -16.209 14.269 3.951 1.00 0.00 O ATOM 0 H SER A 29 -12.550 12.704 3.433 1.00 0.00 H new ATOM 0 HA SER A 29 -15.257 11.858 4.290 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.425 14.143 4.969 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.287 14.552 3.271 1.00 0.00 H new ATOM 0 HG SER A 29 -16.309 15.211 3.700 1.00 0.00 H new ATOM 462 N VAL A 30 -15.881 11.226 1.997 1.00 0.00 N ATOM 463 CA VAL A 30 -16.305 10.842 0.666 1.00 0.00 C ATOM 464 C VAL A 30 -17.740 11.285 0.432 1.00 0.00 C ATOM 465 O VAL A 30 -18.659 10.820 1.107 1.00 0.00 O ATOM 466 CB VAL A 30 -16.212 9.313 0.463 1.00 0.00 C ATOM 467 CG1 VAL A 30 -16.593 8.932 -0.958 1.00 0.00 C ATOM 468 CG2 VAL A 30 -14.816 8.808 0.793 1.00 0.00 C ATOM 0 H VAL A 30 -16.335 10.708 2.749 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.640 11.329 -0.047 1.00 0.00 H new ATOM 0 HB VAL A 30 -16.918 8.840 1.145 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -16.520 7.851 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -17.616 9.251 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -15.917 9.421 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.774 7.729 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.090 9.293 0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.582 9.039 1.832 1.00 0.00 H new ATOM 478 N LYS A 31 -17.932 12.191 -0.515 1.00 0.00 N ATOM 479 CA LYS A 31 -19.262 12.643 -0.856 1.00 0.00 C ATOM 480 C LYS A 31 -19.495 12.441 -2.339 1.00 0.00 C ATOM 481 O LYS A 31 -19.049 13.241 -3.159 1.00 0.00 O ATOM 482 CB LYS A 31 -19.439 14.113 -0.477 1.00 0.00 C ATOM 483 CG LYS A 31 -20.869 14.604 -0.603 1.00 0.00 C ATOM 484 CD LYS A 31 -20.993 16.058 -0.181 1.00 0.00 C ATOM 485 CE LYS A 31 -22.421 16.556 -0.310 1.00 0.00 C ATOM 486 NZ LYS A 31 -23.379 15.698 0.437 1.00 0.00 N ATOM 0 H LYS A 31 -17.183 12.623 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.996 12.061 -0.298 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.103 14.258 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.797 14.723 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -21.204 14.493 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.523 13.987 0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.660 16.168 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -20.335 16.673 -0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.484 17.579 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -22.702 16.582 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -24.286 16.197 0.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -23.529 14.811 -0.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -22.993 15.485 1.379 1.00 0.00 H new ATOM 500 N CYS A 32 -20.167 11.348 -2.671 1.00 0.00 N ATOM 501 CA CYS A 32 -20.415 10.986 -4.060 1.00 0.00 C ATOM 502 C CYS A 32 -21.906 10.808 -4.318 1.00 0.00 C ATOM 503 O CYS A 32 -22.638 10.362 -3.438 1.00 0.00 O ATOM 504 CB CYS A 32 -19.669 9.700 -4.412 1.00 0.00 C ATOM 505 SG CYS A 32 -17.869 9.842 -4.302 1.00 0.00 S ATOM 0 H CYS A 32 -20.553 10.692 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 32 -20.050 11.796 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -20.002 8.904 -3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.939 9.401 -5.425 1.00 0.00 H new ATOM 0 HG CYS A 32 -17.324 8.704 -4.615 1.00 0.00 H new ATOM 511 N GLU A 33 -22.359 11.170 -5.515 1.00 0.00 N ATOM 512 CA GLU A 33 -23.742 10.969 -5.886 1.00 0.00 C ATOM 513 C GLU A 33 -23.820 9.842 -6.906 1.00 0.00 C ATOM 514 O GLU A 33 -22.793 9.454 -7.464 1.00 0.00 O ATOM 515 CB GLU A 33 -24.332 12.274 -6.433 1.00 0.00 C ATOM 516 CG GLU A 33 -24.702 13.261 -5.337 1.00 0.00 C ATOM 517 CD GLU A 33 -25.329 14.537 -5.863 1.00 0.00 C ATOM 518 OE1 GLU A 33 -26.326 14.453 -6.605 1.00 0.00 O ATOM 519 OE2 GLU A 33 -24.835 15.633 -5.520 1.00 0.00 O ATOM 0 H GLU A 33 -21.784 11.603 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.331 10.686 -5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -23.611 12.739 -7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -25.219 12.046 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -25.396 12.782 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -23.807 13.512 -4.767 1.00 0.00 H new ATOM 526 N PRO A 34 -25.019 9.282 -7.158 1.00 0.00 N ATOM 527 CA PRO A 34 -25.198 8.176 -8.119 1.00 0.00 C ATOM 528 C PRO A 34 -24.852 8.579 -9.558 1.00 0.00 C ATOM 529 O PRO A 34 -25.076 7.821 -10.500 1.00 0.00 O ATOM 530 CB PRO A 34 -26.687 7.834 -8.000 1.00 0.00 C ATOM 531 CG PRO A 34 -27.322 9.053 -7.429 1.00 0.00 C ATOM 532 CD PRO A 34 -26.295 9.658 -6.519 1.00 0.00 C ATOM 0 HA PRO A 34 -24.535 7.339 -7.897 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -27.113 7.586 -8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -26.842 6.970 -7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -27.607 9.751 -8.216 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -28.230 8.801 -6.882 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -26.407 10.740 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -26.371 9.262 -5.506 1.00 0.00 H new ATOM 540 N GLN A 35 -24.305 9.777 -9.702 1.00 0.00 N ATOM 541 CA GLN A 35 -23.894 10.312 -10.989 1.00 0.00 C ATOM 542 C GLN A 35 -22.512 10.958 -10.876 1.00 0.00 C ATOM 543 O GLN A 35 -21.949 11.436 -11.858 1.00 0.00 O ATOM 544 CB GLN A 35 -24.926 11.335 -11.464 1.00 0.00 C ATOM 545 CG GLN A 35 -25.126 12.483 -10.483 1.00 0.00 C ATOM 546 CD GLN A 35 -26.408 13.253 -10.732 1.00 0.00 C ATOM 547 OE1 GLN A 35 -27.402 12.692 -11.196 1.00 0.00 O ATOM 548 NE2 GLN A 35 -26.403 14.533 -10.410 1.00 0.00 N ATOM 0 H GLN A 35 -24.133 10.410 -8.921 1.00 0.00 H new ATOM 0 HA GLN A 35 -23.833 9.502 -11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -24.612 11.738 -12.427 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -25.880 10.832 -11.625 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -25.136 12.089 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -24.279 13.165 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -25.559 14.960 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -27.243 15.096 -10.543 1.00 0.00 H new ATOM 557 N GLY A 36 -21.959 10.953 -9.666 1.00 0.00 N ATOM 558 CA GLY A 36 -20.681 11.581 -9.434 1.00 0.00 C ATOM 559 C GLY A 36 -20.748 12.614 -8.333 1.00 0.00 C ATOM 560 O GLY A 36 -21.778 13.250 -8.141 1.00 0.00 O ATOM 0 H GLY A 36 -22.379 10.522 -8.843 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -19.946 10.820 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -20.337 12.054 -10.354 1.00 0.00 H new ATOM 564 N LEU A 37 -19.723 12.659 -7.503 1.00 0.00 N ATOM 565 CA LEU A 37 -19.531 13.760 -6.567 1.00 0.00 C ATOM 566 C LEU A 37 -18.071 13.821 -6.104 1.00 0.00 C ATOM 567 O LEU A 37 -17.246 13.010 -6.531 1.00 0.00 O ATOM 568 CB LEU A 37 -20.519 13.763 -5.409 1.00 0.00 C ATOM 569 CG LEU A 37 -21.447 14.984 -5.329 1.00 0.00 C ATOM 570 CD1 LEU A 37 -22.055 15.098 -3.943 1.00 0.00 C ATOM 571 CD2 LEU A 37 -20.719 16.271 -5.689 1.00 0.00 C ATOM 0 H LEU A 37 -19.001 11.940 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 37 -19.752 14.679 -7.109 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -21.134 12.866 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.958 13.694 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 37 -22.244 14.837 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -22.710 15.968 -3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -22.632 14.200 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -21.260 15.208 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -21.410 17.111 -5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.890 16.425 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.335 16.199 -6.707 1.00 0.00 H new ATOM 583 N PHE A 38 -17.753 14.780 -5.246 1.00 0.00 N ATOM 584 CA PHE A 38 -16.361 15.071 -4.907 1.00 0.00 C ATOM 585 C PHE A 38 -15.978 14.466 -3.553 1.00 0.00 C ATOM 586 O PHE A 38 -16.796 14.362 -2.637 1.00 0.00 O ATOM 587 CB PHE A 38 -16.113 16.588 -4.887 1.00 0.00 C ATOM 588 CG PHE A 38 -16.812 17.313 -3.766 1.00 0.00 C ATOM 589 CD1 PHE A 38 -18.145 17.672 -3.878 1.00 0.00 C ATOM 590 CD2 PHE A 38 -16.132 17.638 -2.600 1.00 0.00 C ATOM 591 CE1 PHE A 38 -18.787 18.337 -2.850 1.00 0.00 C ATOM 592 CE2 PHE A 38 -16.770 18.302 -1.569 1.00 0.00 C ATOM 593 CZ PHE A 38 -18.100 18.652 -1.696 1.00 0.00 C ATOM 0 H PHE A 38 -18.436 15.370 -4.771 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.736 14.617 -5.676 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.041 16.769 -4.809 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.439 17.011 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -18.689 17.430 -4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -15.091 17.369 -2.497 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.827 18.610 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -16.230 18.546 -0.666 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.601 19.172 -0.893 1.00 0.00 H new ATOM 603 N SER A 39 -14.729 14.075 -3.420 1.00 0.00 N ATOM 604 CA SER A 39 -14.252 13.527 -2.170 1.00 0.00 C ATOM 605 C SER A 39 -12.938 14.185 -1.780 1.00 0.00 C ATOM 606 O SER A 39 -12.125 14.533 -2.643 1.00 0.00 O ATOM 607 CB SER A 39 -14.082 12.012 -2.289 1.00 0.00 C ATOM 608 OG SER A 39 -13.732 11.427 -1.044 1.00 0.00 O ATOM 0 H SER A 39 -14.028 14.126 -4.159 1.00 0.00 H new ATOM 0 HA SER A 39 -14.986 13.730 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 39 -15.009 11.569 -2.652 1.00 0.00 H new ATOM 0 HB3 SER A 39 -13.311 11.788 -3.026 1.00 0.00 H new ATOM 0 HG SER A 39 -13.906 12.066 -0.322 1.00 0.00 H new ATOM 614 N PHE A 40 -12.740 14.372 -0.484 1.00 0.00 N ATOM 615 CA PHE A 40 -11.517 14.968 0.020 1.00 0.00 C ATOM 616 C PHE A 40 -11.038 14.233 1.263 1.00 0.00 C ATOM 617 O PHE A 40 -11.813 13.939 2.173 1.00 0.00 O ATOM 618 CB PHE A 40 -11.705 16.466 0.305 1.00 0.00 C ATOM 619 CG PHE A 40 -12.823 16.793 1.263 1.00 0.00 C ATOM 620 CD1 PHE A 40 -14.136 16.864 0.824 1.00 0.00 C ATOM 621 CD2 PHE A 40 -12.555 17.043 2.602 1.00 0.00 C ATOM 622 CE1 PHE A 40 -15.158 17.174 1.701 1.00 0.00 C ATOM 623 CE2 PHE A 40 -13.574 17.356 3.480 1.00 0.00 C ATOM 624 CZ PHE A 40 -14.877 17.421 3.030 1.00 0.00 C ATOM 0 H PHE A 40 -13.414 14.118 0.238 1.00 0.00 H new ATOM 0 HA PHE A 40 -10.752 14.873 -0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -10.773 16.865 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -11.892 16.980 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -14.363 16.675 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -11.538 16.992 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -16.177 17.223 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -13.351 17.550 4.519 1.00 0.00 H new ATOM 0 HZ PHE A 40 -15.675 17.664 3.716 1.00 0.00 H new ATOM 634 N SER A 41 -9.757 13.937 1.287 1.00 0.00 N ATOM 635 CA SER A 41 -9.147 13.200 2.369 1.00 0.00 C ATOM 636 C SER A 41 -7.933 13.969 2.870 1.00 0.00 C ATOM 637 O SER A 41 -7.400 14.818 2.165 1.00 0.00 O ATOM 638 CB SER A 41 -8.739 11.803 1.883 1.00 0.00 C ATOM 639 OG SER A 41 -8.145 11.043 2.919 1.00 0.00 O ATOM 0 H SER A 41 -9.105 14.204 0.549 1.00 0.00 H new ATOM 0 HA SER A 41 -9.859 13.083 3.186 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.616 11.279 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.039 11.896 1.052 1.00 0.00 H new ATOM 0 HG SER A 41 -7.621 10.312 2.529 1.00 0.00 H new ATOM 645 N ALA A 42 -7.504 13.686 4.081 1.00 0.00 N ATOM 646 CA ALA A 42 -6.320 14.320 4.619 1.00 0.00 C ATOM 647 C ALA A 42 -5.166 13.333 4.651 1.00 0.00 C ATOM 648 O ALA A 42 -5.343 12.159 4.974 1.00 0.00 O ATOM 649 CB ALA A 42 -6.597 14.871 6.009 1.00 0.00 C ATOM 0 H ALA A 42 -7.956 13.023 4.710 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.044 15.153 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.696 15.344 6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.399 15.607 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.894 14.057 6.670 1.00 0.00 H new ATOM 655 N LEU A 43 -3.998 13.807 4.270 1.00 0.00 N ATOM 656 CA LEU A 43 -2.789 13.020 4.364 1.00 0.00 C ATOM 657 C LEU A 43 -2.078 13.400 5.643 1.00 0.00 C ATOM 658 O LEU A 43 -1.525 14.496 5.741 1.00 0.00 O ATOM 659 CB LEU A 43 -1.865 13.288 3.177 1.00 0.00 C ATOM 660 CG LEU A 43 -2.520 13.208 1.798 1.00 0.00 C ATOM 661 CD1 LEU A 43 -1.542 13.636 0.718 1.00 0.00 C ATOM 662 CD2 LEU A 43 -3.018 11.798 1.531 1.00 0.00 C ATOM 0 H LEU A 43 -3.861 14.743 3.889 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.049 11.962 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.430 14.280 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.043 12.573 3.211 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.372 13.888 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.026 13.573 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.226 14.663 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.672 12.980 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.482 11.756 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.179 11.103 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.751 11.521 2.289 1.00 0.00 H new ATOM 674 N GLY A 44 -2.098 12.501 6.606 1.00 0.00 N ATOM 675 CA GLY A 44 -1.568 12.802 7.923 1.00 0.00 C ATOM 676 C GLY A 44 -0.067 12.993 7.924 1.00 0.00 C ATOM 677 O GLY A 44 0.447 13.913 8.561 1.00 0.00 O ATOM 0 H GLY A 44 -2.474 11.558 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.044 13.706 8.303 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.827 11.994 8.607 1.00 0.00 H new ATOM 681 N ALA A 45 0.633 12.129 7.199 1.00 0.00 N ATOM 682 CA ALA A 45 2.090 12.173 7.132 1.00 0.00 C ATOM 683 C ALA A 45 2.587 13.452 6.464 1.00 0.00 C ATOM 684 O ALA A 45 3.649 13.965 6.805 1.00 0.00 O ATOM 685 CB ALA A 45 2.620 10.953 6.392 1.00 0.00 C ATOM 0 H ALA A 45 0.212 11.383 6.645 1.00 0.00 H new ATOM 0 HA ALA A 45 2.468 12.166 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.708 10.998 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.315 10.048 6.917 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.217 10.938 5.379 1.00 0.00 H new ATOM 691 N GLN A 46 1.813 13.969 5.518 1.00 0.00 N ATOM 692 CA GLN A 46 2.215 15.163 4.780 1.00 0.00 C ATOM 693 C GLN A 46 1.535 16.412 5.329 1.00 0.00 C ATOM 694 O GLN A 46 1.975 17.533 5.068 1.00 0.00 O ATOM 695 CB GLN A 46 1.890 14.997 3.293 1.00 0.00 C ATOM 696 CG GLN A 46 2.725 13.928 2.609 1.00 0.00 C ATOM 697 CD GLN A 46 2.352 13.728 1.151 1.00 0.00 C ATOM 698 OE1 GLN A 46 1.885 14.651 0.481 1.00 0.00 O ATOM 699 NE2 GLN A 46 2.568 12.521 0.648 1.00 0.00 N ATOM 0 H GLN A 46 0.909 13.584 5.244 1.00 0.00 H new ATOM 0 HA GLN A 46 3.291 15.286 4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.834 14.748 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.046 15.949 2.786 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.778 14.200 2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.605 12.985 3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.956 11.785 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.346 12.328 -0.329 1.00 0.00 H new ATOM 708 N GLY A 47 0.462 16.209 6.085 1.00 0.00 N ATOM 709 CA GLY A 47 -0.287 17.319 6.648 1.00 0.00 C ATOM 710 C GLY A 47 -1.073 18.071 5.593 1.00 0.00 C ATOM 711 O GLY A 47 -1.498 19.201 5.815 1.00 0.00 O ATOM 0 H GLY A 47 0.094 15.287 6.320 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.970 16.945 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.400 18.004 7.145 1.00 0.00 H new ATOM 715 N GLU A 48 -1.275 17.432 4.450 1.00 0.00 N ATOM 716 CA GLU A 48 -1.897 18.086 3.301 1.00 0.00 C ATOM 717 C GLU A 48 -3.191 17.372 2.932 1.00 0.00 C ATOM 718 O GLU A 48 -3.343 16.191 3.224 1.00 0.00 O ATOM 719 CB GLU A 48 -0.925 18.092 2.115 1.00 0.00 C ATOM 720 CG GLU A 48 -1.398 18.910 0.920 1.00 0.00 C ATOM 721 CD GLU A 48 -1.624 20.374 1.255 1.00 0.00 C ATOM 722 OE1 GLU A 48 -0.686 21.029 1.751 1.00 0.00 O ATOM 723 OE2 GLU A 48 -2.744 20.876 1.028 1.00 0.00 O ATOM 0 H GLU A 48 -1.017 16.458 4.290 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.135 19.118 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.036 18.482 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.757 17.064 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.660 18.836 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.325 18.483 0.539 1.00 0.00 H new ATOM 730 N ARG A 49 -4.118 18.074 2.298 1.00 0.00 N ATOM 731 CA ARG A 49 -5.371 17.456 1.891 1.00 0.00 C ATOM 732 C ARG A 49 -5.295 16.970 0.449 1.00 0.00 C ATOM 733 O ARG A 49 -4.806 17.670 -0.439 1.00 0.00 O ATOM 734 CB ARG A 49 -6.559 18.418 2.037 1.00 0.00 C ATOM 735 CG ARG A 49 -6.999 18.674 3.472 1.00 0.00 C ATOM 736 CD ARG A 49 -6.541 20.036 3.978 1.00 0.00 C ATOM 737 NE ARG A 49 -5.135 20.045 4.384 1.00 0.00 N ATOM 738 CZ ARG A 49 -4.268 20.997 4.035 1.00 0.00 C ATOM 739 NH1 ARG A 49 -4.643 21.963 3.212 1.00 0.00 N ATOM 740 NH2 ARG A 49 -3.024 20.977 4.494 1.00 0.00 N ATOM 0 H ARG A 49 -4.029 19.061 2.056 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.530 16.606 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.296 19.370 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.405 18.017 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.085 18.611 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.597 17.894 4.118 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.694 20.780 3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.161 20.332 4.824 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.798 19.279 4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.594 21.979 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.981 22.691 2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.723 20.229 5.119 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.368 21.709 4.222 1.00 0.00 H new ATOM 754 N PHE A 50 -5.782 15.763 0.240 1.00 0.00 N ATOM 755 CA PHE A 50 -5.893 15.179 -1.083 1.00 0.00 C ATOM 756 C PHE A 50 -7.351 15.224 -1.517 1.00 0.00 C ATOM 757 O PHE A 50 -8.245 14.970 -0.713 1.00 0.00 O ATOM 758 CB PHE A 50 -5.355 13.736 -1.048 1.00 0.00 C ATOM 759 CG PHE A 50 -6.046 12.767 -1.976 1.00 0.00 C ATOM 760 CD1 PHE A 50 -5.930 12.888 -3.352 1.00 0.00 C ATOM 761 CD2 PHE A 50 -6.801 11.723 -1.462 1.00 0.00 C ATOM 762 CE1 PHE A 50 -6.554 11.990 -4.196 1.00 0.00 C ATOM 763 CE2 PHE A 50 -7.428 10.824 -2.303 1.00 0.00 C ATOM 764 CZ PHE A 50 -7.304 10.958 -3.672 1.00 0.00 C ATOM 0 H PHE A 50 -6.114 15.155 0.989 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.301 15.740 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.293 13.756 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.438 13.359 -0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.345 13.694 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.900 11.612 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.455 12.096 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.015 10.017 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.793 10.256 -4.331 1.00 0.00 H new ATOM 774 N GLU A 51 -7.602 15.551 -2.771 1.00 0.00 N ATOM 775 CA GLU A 51 -8.975 15.657 -3.243 1.00 0.00 C ATOM 776 C GLU A 51 -9.137 15.037 -4.618 1.00 0.00 C ATOM 777 O GLU A 51 -8.170 14.889 -5.368 1.00 0.00 O ATOM 778 CB GLU A 51 -9.434 17.116 -3.291 1.00 0.00 C ATOM 779 CG GLU A 51 -8.733 17.950 -4.354 1.00 0.00 C ATOM 780 CD GLU A 51 -9.503 19.206 -4.702 1.00 0.00 C ATOM 781 OE1 GLU A 51 -10.533 19.098 -5.397 1.00 0.00 O ATOM 782 OE2 GLU A 51 -9.085 20.307 -4.284 1.00 0.00 O ATOM 0 H GLU A 51 -6.888 15.746 -3.473 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.596 15.111 -2.533 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.508 17.143 -3.473 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.264 17.572 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.739 18.223 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.598 17.349 -5.253 1.00 0.00 H new ATOM 789 N PHE A 52 -10.368 14.666 -4.929 1.00 0.00 N ATOM 790 CA PHE A 52 -10.721 14.201 -6.256 1.00 0.00 C ATOM 791 C PHE A 52 -12.221 14.344 -6.481 1.00 0.00 C ATOM 792 O PHE A 52 -13.032 13.966 -5.634 1.00 0.00 O ATOM 793 CB PHE A 52 -10.271 12.748 -6.481 1.00 0.00 C ATOM 794 CG PHE A 52 -10.925 11.732 -5.582 1.00 0.00 C ATOM 795 CD1 PHE A 52 -10.412 11.461 -4.327 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.044 11.037 -6.005 1.00 0.00 C ATOM 797 CE1 PHE A 52 -11.000 10.515 -3.511 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.642 10.091 -5.195 1.00 0.00 C ATOM 799 CZ PHE A 52 -12.118 9.827 -3.946 1.00 0.00 C ATOM 0 H PHE A 52 -11.147 14.679 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 52 -10.196 14.821 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.473 12.477 -7.517 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -9.191 12.692 -6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.540 11.996 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -12.456 11.237 -6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.587 10.313 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.517 9.560 -5.538 1.00 0.00 H new ATOM 0 HZ PHE A 52 -12.579 9.086 -3.310 1.00 0.00 H new ATOM 809 N SER A 53 -12.582 14.928 -7.609 1.00 0.00 N ATOM 810 CA SER A 53 -13.976 15.050 -7.989 1.00 0.00 C ATOM 811 C SER A 53 -14.261 14.101 -9.142 1.00 0.00 C ATOM 812 O SER A 53 -13.772 14.306 -10.253 1.00 0.00 O ATOM 813 CB SER A 53 -14.297 16.490 -8.399 1.00 0.00 C ATOM 814 OG SER A 53 -13.921 17.409 -7.386 1.00 0.00 O ATOM 0 H SER A 53 -11.925 15.327 -8.280 1.00 0.00 H new ATOM 0 HA SER A 53 -14.605 14.791 -7.137 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.775 16.732 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 53 -15.364 16.584 -8.601 1.00 0.00 H new ATOM 0 HG SER A 53 -14.136 18.320 -7.675 1.00 0.00 H new ATOM 820 N LEU A 54 -15.023 13.053 -8.880 1.00 0.00 N ATOM 821 CA LEU A 54 -15.279 12.051 -9.899 1.00 0.00 C ATOM 822 C LEU A 54 -16.744 12.007 -10.283 1.00 0.00 C ATOM 823 O LEU A 54 -17.609 11.685 -9.464 1.00 0.00 O ATOM 824 CB LEU A 54 -14.821 10.665 -9.438 1.00 0.00 C ATOM 825 CG LEU A 54 -13.306 10.466 -9.369 1.00 0.00 C ATOM 826 CD1 LEU A 54 -12.977 9.059 -8.895 1.00 0.00 C ATOM 827 CD2 LEU A 54 -12.668 10.738 -10.724 1.00 0.00 C ATOM 0 H LEU A 54 -15.471 12.875 -7.981 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.702 12.338 -10.778 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.242 10.471 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.238 9.919 -10.114 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.897 11.176 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.895 8.933 -8.851 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.401 8.901 -7.903 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.399 8.333 -9.590 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.590 10.591 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.081 10.053 -11.465 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.876 11.765 -11.024 1.00 0.00 H new ATOM 839 N GLU A 55 -17.012 12.362 -11.529 1.00 0.00 N ATOM 840 CA GLU A 55 -18.321 12.161 -12.108 1.00 0.00 C ATOM 841 C GLU A 55 -18.371 10.771 -12.710 1.00 0.00 C ATOM 842 O GLU A 55 -17.563 10.433 -13.581 1.00 0.00 O ATOM 843 CB GLU A 55 -18.620 13.185 -13.202 1.00 0.00 C ATOM 844 CG GLU A 55 -18.567 14.632 -12.747 1.00 0.00 C ATOM 845 CD GLU A 55 -19.035 15.589 -13.827 1.00 0.00 C ATOM 846 OE1 GLU A 55 -18.206 16.023 -14.651 1.00 0.00 O ATOM 847 OE2 GLU A 55 -20.244 15.900 -13.870 1.00 0.00 O ATOM 0 H GLU A 55 -16.334 12.792 -12.158 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.067 12.280 -11.322 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.907 13.047 -14.015 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -19.610 12.982 -13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -19.189 14.755 -11.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.546 14.883 -12.458 1.00 0.00 H new ATOM 854 N LEU A 56 -19.297 9.962 -12.248 1.00 0.00 N ATOM 855 CA LEU A 56 -19.429 8.619 -12.772 1.00 0.00 C ATOM 856 C LEU A 56 -20.458 8.625 -13.887 1.00 0.00 C ATOM 857 O LEU A 56 -21.439 9.363 -13.828 1.00 0.00 O ATOM 858 CB LEU A 56 -19.781 7.617 -11.668 1.00 0.00 C ATOM 859 CG LEU A 56 -18.711 7.457 -10.574 1.00 0.00 C ATOM 860 CD1 LEU A 56 -18.924 8.463 -9.452 1.00 0.00 C ATOM 861 CD2 LEU A 56 -18.702 6.038 -10.024 1.00 0.00 C ATOM 0 H LEU A 56 -19.965 10.206 -11.517 1.00 0.00 H new ATOM 0 HA LEU A 56 -18.472 8.294 -13.180 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -20.715 7.928 -11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -19.961 6.644 -12.125 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.740 7.653 -11.028 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.154 8.329 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.864 9.474 -9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -19.906 8.308 -9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.937 5.952 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -19.677 5.808 -9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.485 5.337 -10.830 1.00 0.00 H new ATOM 873 N TYR A 57 -20.224 7.809 -14.904 1.00 0.00 N ATOM 874 CA TYR A 57 -20.932 7.942 -16.172 1.00 0.00 C ATOM 875 C TYR A 57 -22.440 7.701 -16.041 1.00 0.00 C ATOM 876 O TYR A 57 -23.200 8.067 -16.937 1.00 0.00 O ATOM 877 CB TYR A 57 -20.318 7.010 -17.220 1.00 0.00 C ATOM 878 CG TYR A 57 -20.836 5.596 -17.179 1.00 0.00 C ATOM 879 CD1 TYR A 57 -20.460 4.714 -16.177 1.00 0.00 C ATOM 880 CD2 TYR A 57 -21.712 5.154 -18.152 1.00 0.00 C ATOM 881 CE1 TYR A 57 -20.946 3.423 -16.149 1.00 0.00 C ATOM 882 CE2 TYR A 57 -22.206 3.865 -18.134 1.00 0.00 C ATOM 883 CZ TYR A 57 -21.818 3.005 -17.129 1.00 0.00 C ATOM 884 OH TYR A 57 -22.310 1.724 -17.098 1.00 0.00 O ATOM 0 H TYR A 57 -19.548 7.046 -14.877 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.815 8.975 -16.498 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -20.506 7.424 -18.211 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -19.237 6.992 -17.082 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -19.777 5.042 -15.408 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.015 5.828 -18.940 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -20.645 2.745 -15.364 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -22.891 3.533 -18.901 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.913 1.587 -17.858 1.00 0.00 H new ATOM 894 N GLY A 58 -22.881 7.088 -14.947 1.00 0.00 N ATOM 895 CA GLY A 58 -24.306 6.938 -14.738 1.00 0.00 C ATOM 896 C GLY A 58 -24.676 5.795 -13.817 1.00 0.00 C ATOM 897 O GLY A 58 -24.124 4.701 -13.919 1.00 0.00 O ATOM 0 H GLY A 58 -22.288 6.699 -14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -24.702 7.866 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -24.790 6.785 -15.703 1.00 0.00 H new ATOM 901 N LYS A 59 -25.606 6.083 -12.906 1.00 0.00 N ATOM 902 CA LYS A 59 -26.235 5.080 -12.045 1.00 0.00 C ATOM 903 C LYS A 59 -25.240 4.316 -11.179 1.00 0.00 C ATOM 904 O LYS A 59 -24.749 3.248 -11.556 1.00 0.00 O ATOM 905 CB LYS A 59 -27.082 4.102 -12.865 1.00 0.00 C ATOM 906 CG LYS A 59 -28.351 4.728 -13.408 1.00 0.00 C ATOM 907 CD LYS A 59 -29.240 3.700 -14.081 1.00 0.00 C ATOM 908 CE LYS A 59 -30.567 4.310 -14.496 1.00 0.00 C ATOM 909 NZ LYS A 59 -31.332 4.824 -13.327 1.00 0.00 N ATOM 0 H LYS A 59 -25.948 7.030 -12.743 1.00 0.00 H new ATOM 0 HA LYS A 59 -26.882 5.636 -11.366 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.487 3.722 -13.695 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.343 3.246 -12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.898 5.206 -12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -28.094 5.510 -14.122 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -28.733 3.295 -14.957 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -29.417 2.867 -13.401 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -30.388 5.124 -15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -31.163 3.562 -15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -32.336 4.916 -13.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -31.236 4.161 -12.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -30.959 5.754 -13.050 1.00 0.00 H new ATOM 923 N ILE A 60 -24.960 4.863 -10.008 1.00 0.00 N ATOM 924 CA ILE A 60 -24.087 4.210 -9.042 1.00 0.00 C ATOM 925 C ILE A 60 -24.883 3.869 -7.788 1.00 0.00 C ATOM 926 O ILE A 60 -25.876 4.530 -7.481 1.00 0.00 O ATOM 927 CB ILE A 60 -22.893 5.109 -8.640 1.00 0.00 C ATOM 928 CG1 ILE A 60 -22.323 5.843 -9.861 1.00 0.00 C ATOM 929 CG2 ILE A 60 -21.801 4.281 -7.963 1.00 0.00 C ATOM 930 CD1 ILE A 60 -21.887 4.916 -10.977 1.00 0.00 C ATOM 0 H ILE A 60 -25.327 5.764 -9.700 1.00 0.00 H new ATOM 0 HA ILE A 60 -23.695 3.308 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 60 -23.256 5.854 -7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -23.076 6.531 -10.245 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -21.471 6.446 -9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.970 4.930 -7.688 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -22.205 3.809 -7.067 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.448 3.512 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -21.495 5.504 -11.807 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -21.111 4.244 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -22.741 4.331 -11.319 1.00 0.00 H new ATOM 942 N MET A 61 -24.459 2.838 -7.075 1.00 0.00 N ATOM 943 CA MET A 61 -25.096 2.472 -5.820 1.00 0.00 C ATOM 944 C MET A 61 -24.481 3.304 -4.704 1.00 0.00 C ATOM 945 O MET A 61 -23.402 2.998 -4.202 1.00 0.00 O ATOM 946 CB MET A 61 -24.933 0.972 -5.548 1.00 0.00 C ATOM 947 CG MET A 61 -26.060 0.366 -4.727 1.00 0.00 C ATOM 948 SD MET A 61 -26.235 1.115 -3.093 1.00 0.00 S ATOM 949 CE MET A 61 -27.647 0.207 -2.470 1.00 0.00 C ATOM 0 H MET A 61 -23.677 2.240 -7.343 1.00 0.00 H new ATOM 0 HA MET A 61 -26.166 2.675 -5.874 1.00 0.00 H new ATOM 0 HB2 MET A 61 -24.867 0.446 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 61 -23.989 0.808 -5.028 1.00 0.00 H new ATOM 0 HG2 MET A 61 -26.997 0.476 -5.272 1.00 0.00 H new ATOM 0 HG3 MET A 61 -25.882 -0.703 -4.612 1.00 0.00 H new ATOM 0 HE1 MET A 61 -28.337 0.896 -1.984 1.00 0.00 H new ATOM 0 HE2 MET A 61 -28.153 -0.291 -3.297 1.00 0.00 H new ATOM 0 HE3 MET A 61 -27.311 -0.538 -1.749 1.00 0.00 H new ATOM 959 N THR A 62 -25.170 4.374 -4.342 1.00 0.00 N ATOM 960 CA THR A 62 -24.629 5.381 -3.442 1.00 0.00 C ATOM 961 C THR A 62 -24.515 4.881 -1.997 1.00 0.00 C ATOM 962 O THR A 62 -23.790 5.460 -1.187 1.00 0.00 O ATOM 963 CB THR A 62 -25.519 6.635 -3.469 1.00 0.00 C ATOM 964 OG1 THR A 62 -26.178 6.734 -4.740 1.00 0.00 O ATOM 965 CG2 THR A 62 -24.698 7.892 -3.230 1.00 0.00 C ATOM 0 H THR A 62 -26.118 4.569 -4.663 1.00 0.00 H new ATOM 0 HA THR A 62 -23.624 5.614 -3.793 1.00 0.00 H new ATOM 0 HB THR A 62 -26.258 6.545 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 62 -27.056 6.301 -4.688 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.352 8.764 -3.254 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.212 7.830 -2.256 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.940 7.985 -4.008 1.00 0.00 H new ATOM 973 N GLU A 63 -25.224 3.808 -1.675 1.00 0.00 N ATOM 974 CA GLU A 63 -25.294 3.337 -0.300 1.00 0.00 C ATOM 975 C GLU A 63 -24.192 2.325 0.007 1.00 0.00 C ATOM 976 O GLU A 63 -23.504 2.439 1.023 1.00 0.00 O ATOM 977 CB GLU A 63 -26.663 2.721 -0.027 1.00 0.00 C ATOM 978 CG GLU A 63 -26.914 2.410 1.436 1.00 0.00 C ATOM 979 CD GLU A 63 -28.258 1.751 1.659 1.00 0.00 C ATOM 980 OE1 GLU A 63 -29.296 2.414 1.433 1.00 0.00 O ATOM 981 OE2 GLU A 63 -28.286 0.568 2.065 1.00 0.00 O ATOM 0 H GLU A 63 -25.756 3.250 -2.343 1.00 0.00 H new ATOM 0 HA GLU A 63 -25.146 4.196 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -27.435 3.404 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -26.760 1.802 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -26.125 1.756 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -26.863 3.332 2.015 1.00 0.00 H new ATOM 988 N TYR A 64 -24.024 1.339 -0.866 1.00 0.00 N ATOM 989 CA TYR A 64 -23.038 0.292 -0.632 1.00 0.00 C ATOM 990 C TYR A 64 -21.669 0.692 -1.162 1.00 0.00 C ATOM 991 O TYR A 64 -21.445 0.745 -2.371 1.00 0.00 O ATOM 992 CB TYR A 64 -23.463 -1.040 -1.260 1.00 0.00 C ATOM 993 CG TYR A 64 -22.408 -2.123 -1.108 1.00 0.00 C ATOM 994 CD1 TYR A 64 -22.181 -2.734 0.122 1.00 0.00 C ATOM 995 CD2 TYR A 64 -21.621 -2.513 -2.186 1.00 0.00 C ATOM 996 CE1 TYR A 64 -21.206 -3.705 0.267 1.00 0.00 C ATOM 997 CE2 TYR A 64 -20.642 -3.481 -2.044 1.00 0.00 C ATOM 998 CZ TYR A 64 -20.440 -4.073 -0.817 1.00 0.00 C ATOM 999 OH TYR A 64 -19.462 -5.032 -0.669 1.00 0.00 O ATOM 0 H TYR A 64 -24.552 1.243 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 64 -22.974 0.160 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -24.391 -1.375 -0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -23.671 -0.888 -2.319 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -22.775 -2.446 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -21.776 -2.053 -3.151 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -21.046 -4.173 1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -20.039 -3.771 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 64 -19.014 -5.177 -1.528 1.00 0.00 H new ATOM 1009 N ARG A 65 -20.766 0.965 -0.238 1.00 0.00 N ATOM 1010 CA ARG A 65 -19.382 1.245 -0.565 1.00 0.00 C ATOM 1011 C ARG A 65 -18.494 0.789 0.587 1.00 0.00 C ATOM 1012 O ARG A 65 -18.726 1.151 1.740 1.00 0.00 O ATOM 1013 CB ARG A 65 -19.188 2.740 -0.856 1.00 0.00 C ATOM 1014 CG ARG A 65 -19.659 3.654 0.266 1.00 0.00 C ATOM 1015 CD ARG A 65 -19.583 5.119 -0.137 1.00 0.00 C ATOM 1016 NE ARG A 65 -19.963 6.009 0.960 1.00 0.00 N ATOM 1017 CZ ARG A 65 -20.549 7.193 0.792 1.00 0.00 C ATOM 1018 NH1 ARG A 65 -20.882 7.607 -0.426 1.00 0.00 N ATOM 1019 NH2 ARG A 65 -20.824 7.953 1.846 1.00 0.00 N ATOM 0 H ARG A 65 -20.973 0.999 0.760 1.00 0.00 H new ATOM 0 HA ARG A 65 -19.102 0.698 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -18.131 2.929 -1.046 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -19.726 2.995 -1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -20.685 3.403 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -19.047 3.488 1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.569 5.354 -0.460 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -20.238 5.295 -0.990 1.00 0.00 H new ATOM 0 HE ARG A 65 -19.767 5.704 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -20.689 7.017 -1.236 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -21.331 8.514 -0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -20.586 7.630 2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -21.273 8.860 1.718 1.00 0.00 H new ATOM 1033 N LYS A 66 -17.499 -0.029 0.284 1.00 0.00 N ATOM 1034 CA LYS A 66 -16.647 -0.580 1.327 1.00 0.00 C ATOM 1035 C LYS A 66 -15.202 -0.138 1.124 1.00 0.00 C ATOM 1036 O LYS A 66 -14.630 -0.321 0.046 1.00 0.00 O ATOM 1037 CB LYS A 66 -16.746 -2.109 1.319 1.00 0.00 C ATOM 1038 CG LYS A 66 -16.828 -2.741 2.702 1.00 0.00 C ATOM 1039 CD LYS A 66 -15.565 -2.510 3.515 1.00 0.00 C ATOM 1040 CE LYS A 66 -15.856 -1.734 4.791 1.00 0.00 C ATOM 1041 NZ LYS A 66 -16.833 -2.437 5.663 1.00 0.00 N ATOM 0 H LYS A 66 -17.263 -0.324 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.984 -0.207 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.626 -2.401 0.747 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.878 -2.514 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.683 -2.329 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.002 -3.812 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.113 -3.469 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.839 -1.963 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.927 -1.579 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.244 -0.748 4.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.663 -2.176 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.799 -2.162 5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.721 -3.465 5.551 1.00 0.00 H new ATOM 1055 N ASN A 67 -14.629 0.444 2.168 1.00 0.00 N ATOM 1056 CA ASN A 67 -13.258 0.930 2.140 1.00 0.00 C ATOM 1057 C ASN A 67 -12.306 -0.090 2.764 1.00 0.00 C ATOM 1058 O ASN A 67 -12.360 -0.345 3.968 1.00 0.00 O ATOM 1059 CB ASN A 67 -13.156 2.250 2.918 1.00 0.00 C ATOM 1060 CG ASN A 67 -13.999 3.373 2.334 1.00 0.00 C ATOM 1061 OD1 ASN A 67 -14.989 3.144 1.643 1.00 0.00 O ATOM 1062 ND2 ASN A 67 -13.624 4.608 2.636 1.00 0.00 N ATOM 0 H ASN A 67 -15.103 0.592 3.059 1.00 0.00 H new ATOM 0 HA ASN A 67 -12.976 1.088 1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.462 2.077 3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -12.113 2.566 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.163 5.403 2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.797 4.763 3.212 1.00 0.00 H new ATOM 1069 N VAL A 68 -11.453 -0.684 1.944 1.00 0.00 N ATOM 1070 CA VAL A 68 -10.399 -1.562 2.440 1.00 0.00 C ATOM 1071 C VAL A 68 -9.042 -0.931 2.148 1.00 0.00 C ATOM 1072 O VAL A 68 -8.907 -0.184 1.184 1.00 0.00 O ATOM 1073 CB VAL A 68 -10.473 -2.976 1.816 1.00 0.00 C ATOM 1074 CG1 VAL A 68 -11.765 -3.675 2.217 1.00 0.00 C ATOM 1075 CG2 VAL A 68 -10.346 -2.911 0.300 1.00 0.00 C ATOM 0 H VAL A 68 -11.468 -0.575 0.930 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.537 -1.679 3.515 1.00 0.00 H new ATOM 0 HB VAL A 68 -9.635 -3.557 2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.796 -4.667 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.807 -3.767 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.617 -3.092 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.401 -3.918 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.156 -2.307 -0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.389 -2.462 0.034 1.00 0.00 H new ATOM 1085 N GLY A 69 -8.041 -1.198 2.974 1.00 0.00 N ATOM 1086 CA GLY A 69 -6.758 -0.562 2.756 1.00 0.00 C ATOM 1087 C GLY A 69 -5.587 -1.310 3.355 1.00 0.00 C ATOM 1088 O GLY A 69 -5.674 -1.841 4.461 1.00 0.00 O ATOM 0 H GLY A 69 -8.090 -1.829 3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.596 -0.454 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.787 0.443 3.177 1.00 0.00 H new ATOM 1092 N LEU A 70 -4.489 -1.350 2.608 1.00 0.00 N ATOM 1093 CA LEU A 70 -3.232 -1.913 3.092 1.00 0.00 C ATOM 1094 C LEU A 70 -2.148 -0.835 3.043 1.00 0.00 C ATOM 1095 O LEU A 70 -1.875 -0.166 4.039 1.00 0.00 O ATOM 1096 CB LEU A 70 -2.819 -3.128 2.247 1.00 0.00 C ATOM 1097 CG LEU A 70 -3.817 -4.287 2.230 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.367 -5.360 1.251 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.978 -4.874 3.624 1.00 0.00 C ATOM 0 H LEU A 70 -4.444 -0.995 1.653 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.363 -2.250 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.656 -2.797 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.864 -3.499 2.618 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.784 -3.904 1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.088 -6.178 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.301 -4.934 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.389 -5.738 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.692 -5.697 3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.015 -5.242 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.343 -4.104 4.303 1.00 0.00 H new ATOM 1111 N ARG A 71 -1.555 -0.665 1.867 1.00 0.00 N ATOM 1112 CA ARG A 71 -0.648 0.448 1.596 1.00 0.00 C ATOM 1113 C ARG A 71 -1.365 1.447 0.711 1.00 0.00 C ATOM 1114 O ARG A 71 -0.802 2.448 0.267 1.00 0.00 O ATOM 1115 CB ARG A 71 0.618 -0.049 0.895 1.00 0.00 C ATOM 1116 CG ARG A 71 1.709 -0.517 1.840 1.00 0.00 C ATOM 1117 CD ARG A 71 2.338 0.652 2.577 1.00 0.00 C ATOM 1118 NE ARG A 71 3.534 0.251 3.312 1.00 0.00 N ATOM 1119 CZ ARG A 71 4.772 0.604 2.963 1.00 0.00 C ATOM 1120 NH1 ARG A 71 4.974 1.396 1.915 1.00 0.00 N ATOM 1121 NH2 ARG A 71 5.807 0.178 3.677 1.00 0.00 N ATOM 0 H ARG A 71 -1.688 -1.293 1.074 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.356 0.917 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.353 -0.870 0.229 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.013 0.753 0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.292 -1.222 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.476 -1.051 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.596 1.435 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.612 1.078 3.269 1.00 0.00 H new ATOM 0 HE ARG A 71 3.416 -0.333 4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.180 1.737 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.923 1.663 1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.655 -0.418 4.491 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.755 0.447 3.412 1.00 0.00 H new ATOM 1135 N ASN A 72 -2.622 1.135 0.465 1.00 0.00 N ATOM 1136 CA ASN A 72 -3.454 1.859 -0.466 1.00 0.00 C ATOM 1137 C ASN A 72 -4.907 1.620 -0.099 1.00 0.00 C ATOM 1138 O ASN A 72 -5.234 0.575 0.463 1.00 0.00 O ATOM 1139 CB ASN A 72 -3.181 1.384 -1.900 1.00 0.00 C ATOM 1140 CG ASN A 72 -3.397 -0.117 -2.088 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -3.229 -0.917 -1.164 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -3.758 -0.510 -3.294 1.00 0.00 N ATOM 0 H ASN A 72 -3.100 0.355 0.917 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.230 2.925 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -3.831 1.927 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.155 1.633 -2.169 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.907 -1.501 -3.484 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.889 0.177 -4.036 1.00 0.00 H new ATOM 1149 N ILE A 73 -5.764 2.577 -0.395 1.00 0.00 N ATOM 1150 CA ILE A 73 -7.168 2.458 -0.050 1.00 0.00 C ATOM 1151 C ILE A 73 -7.982 2.095 -1.281 1.00 0.00 C ATOM 1152 O ILE A 73 -8.032 2.849 -2.252 1.00 0.00 O ATOM 1153 CB ILE A 73 -7.722 3.763 0.565 1.00 0.00 C ATOM 1154 CG1 ILE A 73 -6.890 4.184 1.782 1.00 0.00 C ATOM 1155 CG2 ILE A 73 -9.183 3.587 0.958 1.00 0.00 C ATOM 1156 CD1 ILE A 73 -6.871 3.162 2.902 1.00 0.00 C ATOM 0 H ILE A 73 -5.515 3.443 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.253 1.668 0.696 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.655 4.550 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.866 4.374 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.282 5.124 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.558 4.515 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.770 3.335 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.268 2.785 1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.261 3.535 3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.888 2.988 3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.450 2.227 2.534 1.00 0.00 H new ATOM 1168 N ILE A 74 -8.596 0.927 -1.239 1.00 0.00 N ATOM 1169 CA ILE A 74 -9.435 0.465 -2.324 1.00 0.00 C ATOM 1170 C ILE A 74 -10.900 0.597 -1.936 1.00 0.00 C ATOM 1171 O ILE A 74 -11.353 0.004 -0.953 1.00 0.00 O ATOM 1172 CB ILE A 74 -9.134 -1.005 -2.688 1.00 0.00 C ATOM 1173 CG1 ILE A 74 -7.643 -1.188 -2.980 1.00 0.00 C ATOM 1174 CG2 ILE A 74 -9.972 -1.444 -3.885 1.00 0.00 C ATOM 1175 CD1 ILE A 74 -7.244 -2.628 -3.209 1.00 0.00 C ATOM 0 H ILE A 74 -8.527 0.277 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.222 1.084 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.399 -1.632 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.379 -0.602 -3.860 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.066 -0.788 -2.146 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -9.746 -2.483 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.030 -1.350 -3.642 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.739 -0.813 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.174 -2.682 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.476 -3.216 -2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.794 -3.027 -4.062 1.00 0.00 H new ATOM 1187 N PHE A 75 -11.628 1.384 -2.700 1.00 0.00 N ATOM 1188 CA PHE A 75 -13.050 1.550 -2.484 1.00 0.00 C ATOM 1189 C PHE A 75 -13.811 0.571 -3.362 1.00 0.00 C ATOM 1190 O PHE A 75 -13.672 0.587 -4.583 1.00 0.00 O ATOM 1191 CB PHE A 75 -13.487 2.979 -2.818 1.00 0.00 C ATOM 1192 CG PHE A 75 -12.703 4.050 -2.113 1.00 0.00 C ATOM 1193 CD1 PHE A 75 -12.897 4.301 -0.766 1.00 0.00 C ATOM 1194 CD2 PHE A 75 -11.777 4.814 -2.807 1.00 0.00 C ATOM 1195 CE1 PHE A 75 -12.181 5.295 -0.123 1.00 0.00 C ATOM 1196 CE2 PHE A 75 -11.058 5.806 -2.169 1.00 0.00 C ATOM 1197 CZ PHE A 75 -11.261 6.047 -0.827 1.00 0.00 C ATOM 0 H PHE A 75 -11.255 1.923 -3.482 1.00 0.00 H new ATOM 0 HA PHE A 75 -13.268 1.356 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -13.399 3.130 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -14.541 3.092 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -13.615 3.715 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.616 4.631 -3.859 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.341 5.483 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.338 6.392 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.701 6.823 -0.327 1.00 0.00 H new ATOM 1207 N SER A 76 -14.593 -0.292 -2.742 1.00 0.00 N ATOM 1208 CA SER A 76 -15.412 -1.232 -3.485 1.00 0.00 C ATOM 1209 C SER A 76 -16.865 -0.771 -3.496 1.00 0.00 C ATOM 1210 O SER A 76 -17.567 -0.858 -2.487 1.00 0.00 O ATOM 1211 CB SER A 76 -15.283 -2.645 -2.899 1.00 0.00 C ATOM 1212 OG SER A 76 -15.416 -2.640 -1.484 1.00 0.00 O ATOM 0 H SER A 76 -14.679 -0.362 -1.728 1.00 0.00 H new ATOM 0 HA SER A 76 -15.058 -1.266 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 76 -16.046 -3.291 -3.334 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.315 -3.066 -3.172 1.00 0.00 H new ATOM 0 HG SER A 76 -16.065 -1.956 -1.219 1.00 0.00 H new ATOM 1218 N ILE A 77 -17.296 -0.242 -4.631 1.00 0.00 N ATOM 1219 CA ILE A 77 -18.650 0.277 -4.767 1.00 0.00 C ATOM 1220 C ILE A 77 -19.365 -0.443 -5.899 1.00 0.00 C ATOM 1221 O ILE A 77 -18.771 -0.725 -6.935 1.00 0.00 O ATOM 1222 CB ILE A 77 -18.682 1.801 -5.066 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -17.710 2.584 -4.177 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -20.094 2.350 -4.896 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -16.329 2.731 -4.776 1.00 0.00 C ATOM 0 H ILE A 77 -16.727 -0.160 -5.474 1.00 0.00 H new ATOM 0 HA ILE A 77 -19.147 0.106 -3.812 1.00 0.00 H new ATOM 0 HB ILE A 77 -18.364 1.930 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.122 3.575 -3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.628 2.082 -3.213 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -20.097 3.419 -5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -20.768 1.840 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -20.428 2.184 -3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -15.694 3.296 -4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.897 1.744 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.399 3.260 -5.727 1.00 0.00 H new ATOM 1237 N GLN A 78 -20.631 -0.759 -5.697 1.00 0.00 N ATOM 1238 CA GLN A 78 -21.442 -1.325 -6.763 1.00 0.00 C ATOM 1239 C GLN A 78 -22.067 -0.206 -7.580 1.00 0.00 C ATOM 1240 O GLN A 78 -22.296 0.889 -7.070 1.00 0.00 O ATOM 1241 CB GLN A 78 -22.550 -2.224 -6.206 1.00 0.00 C ATOM 1242 CG GLN A 78 -22.065 -3.540 -5.630 1.00 0.00 C ATOM 1243 CD GLN A 78 -23.216 -4.433 -5.206 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -24.303 -4.377 -5.778 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -22.990 -5.267 -4.207 1.00 0.00 N ATOM 0 H GLN A 78 -21.119 -0.635 -4.810 1.00 0.00 H new ATOM 0 HA GLN A 78 -20.792 -1.932 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -23.087 -1.678 -5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -23.265 -2.432 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -21.458 -4.059 -6.372 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -21.422 -3.345 -4.772 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -22.076 -5.286 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -23.730 -5.892 -3.887 1.00 0.00 H new ATOM 1254 N LYS A 79 -22.317 -0.461 -8.849 1.00 0.00 N ATOM 1255 CA LYS A 79 -23.093 0.473 -9.638 1.00 0.00 C ATOM 1256 C LYS A 79 -24.559 0.084 -9.543 1.00 0.00 C ATOM 1257 O LYS A 79 -24.872 -1.044 -9.164 1.00 0.00 O ATOM 1258 CB LYS A 79 -22.605 0.538 -11.092 1.00 0.00 C ATOM 1259 CG LYS A 79 -22.468 -0.809 -11.780 1.00 0.00 C ATOM 1260 CD LYS A 79 -21.773 -0.663 -13.127 1.00 0.00 C ATOM 1261 CE LYS A 79 -21.492 -2.013 -13.763 1.00 0.00 C ATOM 1262 NZ LYS A 79 -22.738 -2.715 -14.166 1.00 0.00 N ATOM 0 H LYS A 79 -22.000 -1.292 -9.348 1.00 0.00 H new ATOM 0 HA LYS A 79 -22.963 1.479 -9.240 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -23.298 1.154 -11.665 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.638 1.041 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -21.901 -1.490 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.454 -1.252 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.396 -0.068 -13.795 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.837 -0.120 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -20.856 -1.875 -14.637 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.938 -2.635 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.722 -3.688 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -23.561 -2.212 -13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.804 -2.737 -15.204 1.00 0.00 H new ATOM 1276 N GLU A 80 -25.443 1.017 -9.875 1.00 0.00 N ATOM 1277 CA GLU A 80 -26.877 0.851 -9.630 1.00 0.00 C ATOM 1278 C GLU A 80 -27.412 -0.445 -10.236 1.00 0.00 C ATOM 1279 O GLU A 80 -28.225 -1.134 -9.618 1.00 0.00 O ATOM 1280 CB GLU A 80 -27.651 2.042 -10.192 1.00 0.00 C ATOM 1281 CG GLU A 80 -29.134 2.034 -9.860 1.00 0.00 C ATOM 1282 CD GLU A 80 -29.398 2.326 -8.398 1.00 0.00 C ATOM 1283 OE1 GLU A 80 -29.426 1.375 -7.585 1.00 0.00 O ATOM 1284 OE2 GLU A 80 -29.581 3.509 -8.053 1.00 0.00 O ATOM 0 H GLU A 80 -25.194 1.902 -10.317 1.00 0.00 H new ATOM 0 HA GLU A 80 -27.019 0.799 -8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -27.209 2.962 -9.808 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -27.533 2.059 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -29.645 2.775 -10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -29.556 1.062 -10.116 1.00 0.00 H new ATOM 1427 N LEU A 88 -16.056 4.360 -17.097 1.00 0.00 N ATOM 1428 CA LEU A 88 -16.445 4.586 -15.712 1.00 0.00 C ATOM 1429 C LEU A 88 -16.644 6.078 -15.472 1.00 0.00 C ATOM 1430 O LEU A 88 -17.614 6.504 -14.840 1.00 0.00 O ATOM 1431 CB LEU A 88 -15.378 4.042 -14.758 1.00 0.00 C ATOM 1432 CG LEU A 88 -15.683 4.225 -13.269 1.00 0.00 C ATOM 1433 CD1 LEU A 88 -16.903 3.413 -12.866 1.00 0.00 C ATOM 1434 CD2 LEU A 88 -14.477 3.840 -12.427 1.00 0.00 C ATOM 0 HA LEU A 88 -17.380 4.060 -15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.243 2.979 -14.957 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.430 4.531 -14.981 1.00 0.00 H new ATOM 0 HG LEU A 88 -15.903 5.278 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -17.102 3.558 -11.804 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -17.766 3.742 -13.445 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -16.717 2.357 -13.060 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -14.712 3.976 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -14.224 2.796 -12.610 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.630 4.471 -12.695 1.00 0.00 H new ATOM 1446 N LEU A 89 -15.717 6.860 -16.003 1.00 0.00 N ATOM 1447 CA LEU A 89 -15.718 8.305 -15.840 1.00 0.00 C ATOM 1448 C LEU A 89 -16.655 8.966 -16.839 1.00 0.00 C ATOM 1449 O LEU A 89 -16.468 8.846 -18.050 1.00 0.00 O ATOM 1450 CB LEU A 89 -14.301 8.882 -15.999 1.00 0.00 C ATOM 1451 CG LEU A 89 -13.280 8.473 -14.926 1.00 0.00 C ATOM 1452 CD1 LEU A 89 -13.872 8.622 -13.531 1.00 0.00 C ATOM 1453 CD2 LEU A 89 -12.771 7.054 -15.156 1.00 0.00 C ATOM 0 H LEU A 89 -14.939 6.508 -16.562 1.00 0.00 H new ATOM 0 HA LEU A 89 -16.072 8.518 -14.831 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.915 8.580 -16.973 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -14.372 9.970 -16.008 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.426 9.146 -15.006 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.131 8.327 -12.788 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.157 9.661 -13.366 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.752 7.985 -13.439 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.051 6.796 -14.380 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.608 6.357 -15.121 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.290 6.994 -16.132 1.00 0.00 H new ATOM 1465 N LYS A 90 -17.683 9.626 -16.315 1.00 0.00 N ATOM 1466 CA LYS A 90 -18.604 10.430 -17.124 1.00 0.00 C ATOM 1467 C LYS A 90 -17.823 11.429 -17.989 1.00 0.00 C ATOM 1468 O LYS A 90 -18.258 11.818 -19.076 1.00 0.00 O ATOM 1469 CB LYS A 90 -19.561 11.182 -16.189 1.00 0.00 C ATOM 1470 CG LYS A 90 -20.419 12.238 -16.868 1.00 0.00 C ATOM 1471 CD LYS A 90 -21.125 13.097 -15.833 1.00 0.00 C ATOM 1472 CE LYS A 90 -21.819 14.291 -16.464 1.00 0.00 C ATOM 1473 NZ LYS A 90 -22.303 15.254 -15.439 1.00 0.00 N ATOM 0 H LYS A 90 -17.904 9.621 -15.319 1.00 0.00 H new ATOM 0 HA LYS A 90 -19.172 9.775 -17.785 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -20.216 10.458 -15.705 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.977 11.660 -15.402 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -19.797 12.865 -17.506 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -21.155 11.758 -17.513 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -21.858 12.492 -15.299 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -20.401 13.446 -15.096 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -21.130 14.796 -17.141 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -22.661 13.946 -17.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -22.844 16.011 -15.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -22.914 14.759 -14.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -21.490 15.666 -14.938 1.00 0.00 H new ATOM 1487 N SER A 91 -16.664 11.839 -17.485 1.00 0.00 N ATOM 1488 CA SER A 91 -15.778 12.742 -18.193 1.00 0.00 C ATOM 1489 C SER A 91 -15.014 11.986 -19.276 1.00 0.00 C ATOM 1490 O SER A 91 -13.845 11.639 -19.110 1.00 0.00 O ATOM 1491 CB SER A 91 -14.799 13.386 -17.208 1.00 0.00 C ATOM 1492 OG SER A 91 -15.471 13.790 -16.027 1.00 0.00 O ATOM 0 H SER A 91 -16.316 11.551 -16.571 1.00 0.00 H new ATOM 0 HA SER A 91 -16.371 13.524 -18.666 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.008 12.679 -16.959 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.321 14.248 -17.673 1.00 0.00 H new ATOM 0 HG SER A 91 -14.829 14.198 -15.409 1.00 0.00 H new ATOM 1498 N GLU A 92 -15.707 11.701 -20.368 1.00 0.00 N ATOM 1499 CA GLU A 92 -15.131 10.963 -21.490 1.00 0.00 C ATOM 1500 C GLU A 92 -14.035 11.752 -22.203 1.00 0.00 C ATOM 1501 O GLU A 92 -13.309 11.196 -23.027 1.00 0.00 O ATOM 1502 CB GLU A 92 -16.214 10.611 -22.504 1.00 0.00 C ATOM 1503 CG GLU A 92 -17.331 9.755 -21.942 1.00 0.00 C ATOM 1504 CD GLU A 92 -18.280 9.297 -23.025 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -19.161 10.091 -23.417 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -18.130 8.154 -23.509 1.00 0.00 O ATOM 0 H GLU A 92 -16.681 11.972 -20.505 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.688 10.058 -21.073 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -16.641 11.533 -22.899 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.755 10.087 -23.343 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.906 8.887 -21.438 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -17.881 10.321 -21.191 1.00 0.00 H new ATOM 1513 N GLU A 93 -13.932 13.036 -21.889 1.00 0.00 N ATOM 1514 CA GLU A 93 -12.980 13.927 -22.543 1.00 0.00 C ATOM 1515 C GLU A 93 -11.538 13.454 -22.346 1.00 0.00 C ATOM 1516 O GLU A 93 -10.991 12.726 -23.177 1.00 0.00 O ATOM 1517 CB GLU A 93 -13.148 15.349 -22.005 1.00 0.00 C ATOM 1518 CG GLU A 93 -14.534 15.926 -22.241 1.00 0.00 C ATOM 1519 CD GLU A 93 -14.747 17.241 -21.525 1.00 0.00 C ATOM 1520 OE1 GLU A 93 -14.113 18.244 -21.908 1.00 0.00 O ATOM 1521 OE2 GLU A 93 -15.563 17.281 -20.582 1.00 0.00 O ATOM 0 H GLU A 93 -14.503 13.490 -21.176 1.00 0.00 H new ATOM 0 HA GLU A 93 -13.187 13.916 -23.613 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.939 15.351 -20.935 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.408 15.997 -22.475 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.686 16.070 -23.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.284 15.209 -21.906 1.00 0.00 H new ATOM 1528 N LYS A 94 -10.928 13.868 -21.246 1.00 0.00 N ATOM 1529 CA LYS A 94 -9.566 13.470 -20.925 1.00 0.00 C ATOM 1530 C LYS A 94 -9.435 13.231 -19.431 1.00 0.00 C ATOM 1531 O LYS A 94 -9.688 14.130 -18.630 1.00 0.00 O ATOM 1532 CB LYS A 94 -8.554 14.539 -21.364 1.00 0.00 C ATOM 1533 CG LYS A 94 -8.420 14.697 -22.873 1.00 0.00 C ATOM 1534 CD LYS A 94 -7.967 13.407 -23.536 1.00 0.00 C ATOM 1535 CE LYS A 94 -7.742 13.596 -25.030 1.00 0.00 C ATOM 1536 NZ LYS A 94 -6.557 14.449 -25.316 1.00 0.00 N ATOM 0 H LYS A 94 -11.358 14.484 -20.556 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.349 12.549 -21.466 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.847 15.497 -20.935 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.577 14.290 -20.949 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.378 15.005 -23.293 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.705 15.490 -23.094 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.045 13.061 -23.069 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.716 12.632 -23.375 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.609 12.622 -25.502 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.629 14.048 -25.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.341 14.413 -26.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.761 15.431 -25.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.740 14.100 -24.776 1.00 0.00 H new ATOM 1550 N PRO A 95 -9.057 12.012 -19.035 1.00 0.00 N ATOM 1551 CA PRO A 95 -8.847 11.669 -17.633 1.00 0.00 C ATOM 1552 C PRO A 95 -7.601 12.339 -17.069 1.00 0.00 C ATOM 1553 O PRO A 95 -6.667 12.668 -17.811 1.00 0.00 O ATOM 1554 CB PRO A 95 -8.673 10.142 -17.640 1.00 0.00 C ATOM 1555 CG PRO A 95 -9.059 9.698 -19.012 1.00 0.00 C ATOM 1556 CD PRO A 95 -8.806 10.869 -19.915 1.00 0.00 C ATOM 0 HA PRO A 95 -9.674 12.004 -17.007 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.644 9.864 -17.414 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -9.303 9.673 -16.885 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -8.472 8.833 -19.321 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.107 9.400 -19.045 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -7.786 10.871 -20.300 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.473 10.867 -20.777 1.00 0.00 H new ATOM 1564 N ALA A 96 -7.593 12.546 -15.761 1.00 0.00 N ATOM 1565 CA ALA A 96 -6.447 13.131 -15.085 1.00 0.00 C ATOM 1566 C ALA A 96 -5.260 12.177 -15.137 1.00 0.00 C ATOM 1567 O ALA A 96 -5.441 10.963 -15.111 1.00 0.00 O ATOM 1568 CB ALA A 96 -6.806 13.453 -13.646 1.00 0.00 C ATOM 0 H ALA A 96 -8.372 12.316 -15.144 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.169 14.054 -15.593 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.943 13.891 -13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.634 14.161 -13.627 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.099 12.538 -13.131 1.00 0.00 H new ATOM 1574 N PRO A 97 -4.030 12.717 -15.196 1.00 0.00 N ATOM 1575 CA PRO A 97 -2.806 11.910 -15.328 1.00 0.00 C ATOM 1576 C PRO A 97 -2.607 10.930 -14.175 1.00 0.00 C ATOM 1577 O PRO A 97 -1.950 9.897 -14.330 1.00 0.00 O ATOM 1578 CB PRO A 97 -1.680 12.950 -15.330 1.00 0.00 C ATOM 1579 CG PRO A 97 -2.286 14.175 -14.741 1.00 0.00 C ATOM 1580 CD PRO A 97 -3.728 14.155 -15.153 1.00 0.00 C ATOM 0 HA PRO A 97 -2.842 11.290 -16.223 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.827 12.610 -14.742 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.317 13.136 -16.341 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.189 14.176 -13.655 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.787 15.073 -15.106 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -4.361 14.681 -14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.879 14.630 -16.122 1.00 0.00 H new ATOM 1588 N TYR A 98 -3.176 11.252 -13.021 1.00 0.00 N ATOM 1589 CA TYR A 98 -3.045 10.399 -11.852 1.00 0.00 C ATOM 1590 C TYR A 98 -4.084 9.288 -11.865 1.00 0.00 C ATOM 1591 O TYR A 98 -4.107 8.447 -10.973 1.00 0.00 O ATOM 1592 CB TYR A 98 -3.139 11.216 -10.554 1.00 0.00 C ATOM 1593 CG TYR A 98 -4.401 12.048 -10.397 1.00 0.00 C ATOM 1594 CD1 TYR A 98 -5.564 11.493 -9.877 1.00 0.00 C ATOM 1595 CD2 TYR A 98 -4.416 13.395 -10.739 1.00 0.00 C ATOM 1596 CE1 TYR A 98 -6.706 12.255 -9.705 1.00 0.00 C ATOM 1597 CE2 TYR A 98 -5.555 14.163 -10.575 1.00 0.00 C ATOM 1598 CZ TYR A 98 -6.697 13.588 -10.056 1.00 0.00 C ATOM 1599 OH TYR A 98 -7.831 14.353 -9.887 1.00 0.00 O ATOM 0 H TYR A 98 -3.730 12.095 -12.871 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.057 9.939 -11.889 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.068 10.532 -9.708 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.277 11.881 -10.500 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -5.577 10.449 -9.602 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.523 13.850 -11.140 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.600 11.807 -9.298 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.550 15.207 -10.852 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.654 15.270 -10.183 1.00 0.00 H new ATOM 1609 N ILE A 99 -4.935 9.282 -12.886 1.00 0.00 N ATOM 1610 CA ILE A 99 -5.947 8.249 -13.030 1.00 0.00 C ATOM 1611 C ILE A 99 -5.543 7.246 -14.090 1.00 0.00 C ATOM 1612 O ILE A 99 -5.359 7.579 -15.261 1.00 0.00 O ATOM 1613 CB ILE A 99 -7.337 8.846 -13.339 1.00 0.00 C ATOM 1614 CG1 ILE A 99 -7.966 9.303 -12.033 1.00 0.00 C ATOM 1615 CG2 ILE A 99 -8.241 7.837 -14.049 1.00 0.00 C ATOM 1616 CD1 ILE A 99 -8.894 10.485 -12.180 1.00 0.00 C ATOM 0 H ILE A 99 -4.941 9.984 -13.626 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.022 7.730 -12.074 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.218 9.693 -14.015 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.520 8.471 -11.597 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -7.174 9.561 -11.331 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.210 8.294 -14.249 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.781 7.535 -14.990 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.377 6.961 -13.415 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -9.302 10.750 -11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.342 11.333 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.709 10.226 -12.856 1.00 0.00 H new ATOM 1628 N LYS A 100 -5.384 6.023 -13.644 1.00 0.00 N ATOM 1629 CA LYS A 100 -5.003 4.915 -14.512 1.00 0.00 C ATOM 1630 C LYS A 100 -5.711 3.643 -14.073 1.00 0.00 C ATOM 1631 O LYS A 100 -6.378 3.629 -13.048 1.00 0.00 O ATOM 1632 CB LYS A 100 -3.484 4.709 -14.490 1.00 0.00 C ATOM 1633 CG LYS A 100 -2.702 5.793 -15.217 1.00 0.00 C ATOM 1634 CD LYS A 100 -1.204 5.614 -15.040 1.00 0.00 C ATOM 1635 CE LYS A 100 -0.772 5.912 -13.613 1.00 0.00 C ATOM 1636 NZ LYS A 100 -0.924 7.353 -13.275 1.00 0.00 N ATOM 0 H LYS A 100 -5.514 5.759 -12.667 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.303 5.155 -15.532 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.148 4.666 -13.454 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.252 3.744 -14.940 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.949 5.771 -16.278 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.999 6.772 -14.841 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.925 4.593 -15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.674 6.274 -15.727 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.365 5.313 -12.922 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.269 5.616 -13.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.603 7.517 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.352 7.925 -13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.924 7.626 -13.361 1.00 0.00 H new ATOM 1650 N VAL A 101 -5.568 2.580 -14.845 1.00 0.00 N ATOM 1651 CA VAL A 101 -6.210 1.315 -14.520 1.00 0.00 C ATOM 1652 C VAL A 101 -5.346 0.511 -13.555 1.00 0.00 C ATOM 1653 O VAL A 101 -4.128 0.451 -13.710 1.00 0.00 O ATOM 1654 CB VAL A 101 -6.467 0.475 -15.793 1.00 0.00 C ATOM 1655 CG1 VAL A 101 -7.214 -0.810 -15.464 1.00 0.00 C ATOM 1656 CG2 VAL A 101 -7.239 1.285 -16.823 1.00 0.00 C ATOM 0 H VAL A 101 -5.014 2.566 -15.701 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.167 1.544 -14.050 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.498 0.205 -16.214 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.380 -1.379 -16.379 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.624 -1.406 -14.768 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.174 -0.566 -15.009 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.410 0.676 -17.711 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.197 1.590 -16.402 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.664 2.170 -17.095 1.00 0.00 H new ATOM 1666 N ASP A 102 -5.975 -0.069 -12.540 1.00 0.00 N ATOM 1667 CA ASP A 102 -5.282 -0.982 -11.635 1.00 0.00 C ATOM 1668 C ASP A 102 -5.008 -2.292 -12.360 1.00 0.00 C ATOM 1669 O ASP A 102 -5.836 -3.197 -12.361 1.00 0.00 O ATOM 1670 CB ASP A 102 -6.118 -1.245 -10.372 1.00 0.00 C ATOM 1671 CG ASP A 102 -5.357 -2.001 -9.293 1.00 0.00 C ATOM 1672 OD1 ASP A 102 -4.583 -2.926 -9.628 1.00 0.00 O ATOM 1673 OD2 ASP A 102 -5.536 -1.671 -8.100 1.00 0.00 O ATOM 0 H ASP A 102 -6.961 0.075 -12.322 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.341 -0.526 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.460 -0.293 -9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.007 -1.813 -10.645 1.00 0.00 H new ATOM 1678 N TRP A 103 -3.852 -2.375 -12.999 1.00 0.00 N ATOM 1679 CA TRP A 103 -3.497 -3.546 -13.792 1.00 0.00 C ATOM 1680 C TRP A 103 -3.053 -4.716 -12.918 1.00 0.00 C ATOM 1681 O TRP A 103 -2.710 -5.785 -13.428 1.00 0.00 O ATOM 1682 CB TRP A 103 -2.385 -3.206 -14.789 1.00 0.00 C ATOM 1683 CG TRP A 103 -2.802 -2.242 -15.858 1.00 0.00 C ATOM 1684 CD1 TRP A 103 -3.672 -2.483 -16.884 1.00 0.00 C ATOM 1685 CD2 TRP A 103 -2.355 -0.889 -16.019 1.00 0.00 C ATOM 1686 NE1 TRP A 103 -3.793 -1.364 -17.672 1.00 0.00 N ATOM 1687 CE2 TRP A 103 -2.994 -0.373 -17.162 1.00 0.00 C ATOM 1688 CE3 TRP A 103 -1.473 -0.066 -15.310 1.00 0.00 C ATOM 1689 CZ2 TRP A 103 -2.786 0.930 -17.605 1.00 0.00 C ATOM 1690 CZ3 TRP A 103 -1.267 1.228 -15.753 1.00 0.00 C ATOM 1691 CH2 TRP A 103 -1.918 1.715 -16.894 1.00 0.00 C ATOM 0 H TRP A 103 -3.140 -1.644 -12.985 1.00 0.00 H new ATOM 0 HA TRP A 103 -4.395 -3.846 -14.332 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -1.539 -2.786 -14.245 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -2.038 -4.126 -15.259 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -4.189 -3.416 -17.051 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.381 -1.283 -18.501 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -0.962 -0.435 -14.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.292 1.309 -18.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.593 1.874 -15.210 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -1.732 2.728 -17.219 1.00 0.00 H new ATOM 1702 N ASN A 104 -3.056 -4.522 -11.607 1.00 0.00 N ATOM 1703 CA ASN A 104 -2.568 -5.546 -10.695 1.00 0.00 C ATOM 1704 C ASN A 104 -3.724 -6.282 -10.029 1.00 0.00 C ATOM 1705 O ASN A 104 -3.579 -7.430 -9.605 1.00 0.00 O ATOM 1706 CB ASN A 104 -1.658 -4.928 -9.628 1.00 0.00 C ATOM 1707 CG ASN A 104 -0.484 -4.168 -10.224 1.00 0.00 C ATOM 1708 OD1 ASN A 104 -0.560 -2.960 -10.446 1.00 0.00 O ATOM 1709 ND2 ASN A 104 0.612 -4.864 -10.496 1.00 0.00 N ATOM 0 H ASN A 104 -3.388 -3.671 -11.153 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.992 -6.264 -11.279 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -2.244 -4.252 -9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.281 -5.717 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 104 1.424 -4.399 -10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 104 0.643 -5.864 -10.300 1.00 0.00 H new ATOM 1716 N LYS A 105 -4.864 -5.617 -9.919 1.00 0.00 N ATOM 1717 CA LYS A 105 -6.040 -6.221 -9.303 1.00 0.00 C ATOM 1718 C LYS A 105 -7.197 -6.336 -10.282 1.00 0.00 C ATOM 1719 O LYS A 105 -8.280 -6.802 -9.924 1.00 0.00 O ATOM 1720 CB LYS A 105 -6.455 -5.419 -8.073 1.00 0.00 C ATOM 1721 CG LYS A 105 -5.470 -5.567 -6.931 1.00 0.00 C ATOM 1722 CD LYS A 105 -5.700 -4.550 -5.832 1.00 0.00 C ATOM 1723 CE LYS A 105 -4.656 -4.697 -4.740 1.00 0.00 C ATOM 1724 NZ LYS A 105 -3.274 -4.670 -5.295 1.00 0.00 N ATOM 0 H LYS A 105 -5.002 -4.661 -10.247 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.774 -7.233 -8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.542 -4.366 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.441 -5.747 -7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.549 -6.571 -6.515 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.455 -5.460 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.660 -3.543 -6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.696 -4.682 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.773 -3.893 -4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.816 -5.634 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.599 -4.450 -4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.045 -5.599 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.211 -3.942 -6.035 1.00 0.00 H new ATOM 1738 N TRP A 106 -6.973 -5.916 -11.517 1.00 0.00 N ATOM 1739 CA TRP A 106 -7.950 -6.112 -12.565 1.00 0.00 C ATOM 1740 C TRP A 106 -7.789 -7.516 -13.140 1.00 0.00 C ATOM 1741 O TRP A 106 -6.675 -7.955 -13.429 1.00 0.00 O ATOM 1742 CB TRP A 106 -7.793 -5.026 -13.636 1.00 0.00 C ATOM 1743 CG TRP A 106 -8.111 -5.468 -15.027 1.00 0.00 C ATOM 1744 CD1 TRP A 106 -7.207 -5.839 -15.971 1.00 0.00 C ATOM 1745 CD2 TRP A 106 -9.403 -5.579 -15.634 1.00 0.00 C ATOM 1746 NE1 TRP A 106 -7.852 -6.179 -17.134 1.00 0.00 N ATOM 1747 CE2 TRP A 106 -9.202 -6.028 -16.952 1.00 0.00 C ATOM 1748 CE3 TRP A 106 -10.709 -5.346 -15.193 1.00 0.00 C ATOM 1749 CZ2 TRP A 106 -10.257 -6.248 -17.834 1.00 0.00 C ATOM 1750 CZ3 TRP A 106 -11.755 -5.566 -16.068 1.00 0.00 C ATOM 1751 CH2 TRP A 106 -11.526 -6.012 -17.376 1.00 0.00 C ATOM 0 H TRP A 106 -6.122 -5.438 -11.814 1.00 0.00 H new ATOM 0 HA TRP A 106 -8.960 -6.025 -12.164 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -8.439 -4.187 -13.380 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -6.767 -4.658 -13.612 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -6.137 -5.863 -15.827 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.400 -6.493 -17.993 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -10.897 -5.000 -14.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -10.081 -6.592 -18.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -12.768 -5.391 -15.738 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -12.366 -6.173 -18.036 1.00 0.00 H new