USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 658 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 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.0782 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -84:sc= 0.792 USER MOD Single : A 28 GLN : amide:sc= -0.0245 K(o=-0.025,f=-0.81) USER MOD Single : A 30 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.11) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -46:sc= 0.531 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.231 F(o=-0.95,f=-0.23) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc=-0.00246 (180deg=-0.097) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -84:sc= -1.33 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.95) USER MOD Single : A 63 SER OG : rot -58:sc= -0.445 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.387 K(o=-0.39,f=-3.9) USER MOD Single : A 74 LYS NZ :NH3+ 154:sc= -0.0398 (180deg=-0.567) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -1.07 F(o=-2.6,f=-1.1) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -11.3! C(o=-13!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 0.99 (180deg=0.673) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.36) USER MOD Single : A 89 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 15:sc= 0.859 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 4.851 23.667 8.063 1.00 0.00 N ATOM 2 CA GLY A 7 5.226 24.863 7.331 1.00 0.00 C ATOM 3 C GLY A 7 4.723 24.850 5.902 1.00 0.00 C ATOM 4 O GLY A 7 3.516 24.865 5.661 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.829 25.739 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.312 24.959 7.330 1.00 0.00 H new ATOM 8 N SER A 8 5.650 24.824 4.949 1.00 0.00 N ATOM 9 CA SER A 8 5.293 24.814 3.535 1.00 0.00 C ATOM 10 C SER A 8 6.021 23.694 2.799 1.00 0.00 C ATOM 11 O SER A 8 6.512 23.884 1.686 1.00 0.00 O ATOM 12 CB SER A 8 5.628 26.163 2.895 1.00 0.00 C ATOM 13 OG SER A 8 4.672 27.147 3.250 1.00 0.00 O ATOM 0 H SER A 8 6.654 24.809 5.131 1.00 0.00 H new ATOM 0 HA SER A 8 4.220 24.638 3.457 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.620 26.484 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.660 26.057 1.811 1.00 0.00 H new ATOM 0 HG SER A 8 4.909 28.000 2.830 1.00 0.00 H new ATOM 19 N SER A 9 6.087 22.525 3.429 1.00 0.00 N ATOM 20 CA SER A 9 6.758 21.374 2.836 1.00 0.00 C ATOM 21 C SER A 9 5.805 20.596 1.933 1.00 0.00 C ATOM 22 O SER A 9 5.784 19.366 1.948 1.00 0.00 O ATOM 23 CB SER A 9 7.304 20.456 3.931 1.00 0.00 C ATOM 24 OG SER A 9 8.208 21.150 4.773 1.00 0.00 O ATOM 0 H SER A 9 5.684 22.350 4.350 1.00 0.00 H new ATOM 0 HA SER A 9 7.588 21.740 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.479 20.062 4.524 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.807 19.602 3.477 1.00 0.00 H new ATOM 0 HG SER A 9 8.542 20.543 5.466 1.00 0.00 H new ATOM 30 N GLY A 10 5.017 21.324 1.147 1.00 0.00 N ATOM 31 CA GLY A 10 4.073 20.686 0.248 1.00 0.00 C ATOM 32 C GLY A 10 2.660 21.203 0.430 1.00 0.00 C ATOM 33 O GLY A 10 2.071 21.058 1.501 1.00 0.00 O ATOM 0 H GLY A 10 5.016 22.344 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.388 20.852 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.087 19.609 0.416 1.00 0.00 H new ATOM 37 N SER A 11 2.115 21.810 -0.620 1.00 0.00 N ATOM 38 CA SER A 11 0.764 22.357 -0.570 1.00 0.00 C ATOM 39 C SER A 11 -0.276 21.244 -0.670 1.00 0.00 C ATOM 40 O SER A 11 0.050 20.102 -0.992 1.00 0.00 O ATOM 41 CB SER A 11 0.557 23.367 -1.700 1.00 0.00 C ATOM 42 OG SER A 11 0.992 24.659 -1.314 1.00 0.00 O ATOM 0 H SER A 11 2.588 21.935 -1.515 1.00 0.00 H new ATOM 0 HA SER A 11 0.639 22.864 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.105 23.045 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.498 23.401 -1.973 1.00 0.00 H new ATOM 0 HG SER A 11 0.851 25.286 -2.054 1.00 0.00 H new ATOM 48 N SER A 12 -1.530 21.588 -0.393 1.00 0.00 N ATOM 49 CA SER A 12 -2.618 20.619 -0.448 1.00 0.00 C ATOM 50 C SER A 12 -2.354 19.451 0.498 1.00 0.00 C ATOM 51 O SER A 12 -2.595 18.295 0.156 1.00 0.00 O ATOM 52 CB SER A 12 -2.797 20.102 -1.877 1.00 0.00 C ATOM 53 OG SER A 12 -3.008 21.171 -2.784 1.00 0.00 O ATOM 0 H SER A 12 -1.817 22.530 -0.128 1.00 0.00 H new ATOM 0 HA SER A 12 -3.534 21.120 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.914 19.537 -2.176 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.643 19.416 -1.915 1.00 0.00 H new ATOM 0 HG SER A 12 -3.118 20.814 -3.690 1.00 0.00 H new ATOM 59 N GLY A 13 -1.857 19.765 1.690 1.00 0.00 N ATOM 60 CA GLY A 13 -1.568 18.732 2.668 1.00 0.00 C ATOM 61 C GLY A 13 -0.136 18.788 3.164 1.00 0.00 C ATOM 62 O GLY A 13 0.678 17.912 2.873 1.00 0.00 O ATOM 0 H GLY A 13 -1.649 20.716 1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.247 18.837 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.758 17.754 2.226 1.00 0.00 H new ATOM 66 N PRO A 14 0.188 19.839 3.931 1.00 0.00 N ATOM 67 CA PRO A 14 1.532 20.032 4.483 1.00 0.00 C ATOM 68 C PRO A 14 1.864 19.013 5.569 1.00 0.00 C ATOM 69 O PRO A 14 3.013 18.599 5.715 1.00 0.00 O ATOM 70 CB PRO A 14 1.475 21.443 5.073 1.00 0.00 C ATOM 71 CG PRO A 14 0.033 21.669 5.374 1.00 0.00 C ATOM 72 CD PRO A 14 -0.733 20.922 4.318 1.00 0.00 C ATOM 0 HA PRO A 14 2.306 19.903 3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.084 21.521 5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.853 22.183 4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.219 21.305 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.208 22.732 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.674 20.530 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.979 21.563 3.471 1.00 0.00 H new ATOM 80 N VAL A 15 0.849 18.614 6.329 1.00 0.00 N ATOM 81 CA VAL A 15 1.032 17.642 7.400 1.00 0.00 C ATOM 82 C VAL A 15 0.613 16.246 6.954 1.00 0.00 C ATOM 83 O VAL A 15 -0.574 15.923 6.924 1.00 0.00 O ATOM 84 CB VAL A 15 0.228 18.031 8.655 1.00 0.00 C ATOM 85 CG1 VAL A 15 0.390 16.980 9.741 1.00 0.00 C ATOM 86 CG2 VAL A 15 0.657 19.401 9.159 1.00 0.00 C ATOM 0 H VAL A 15 -0.109 18.949 6.223 1.00 0.00 H new ATOM 0 HA VAL A 15 2.094 17.638 7.645 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.827 18.082 8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.185 17.273 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.029 16.019 9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.443 16.893 10.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.079 19.660 10.046 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.717 19.381 9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.483 20.145 8.382 1.00 0.00 H new ATOM 96 N ARG A 16 1.597 15.421 6.609 1.00 0.00 N ATOM 97 CA ARG A 16 1.330 14.059 6.164 1.00 0.00 C ATOM 98 C ARG A 16 1.440 13.076 7.326 1.00 0.00 C ATOM 99 O ARG A 16 0.518 12.303 7.587 1.00 0.00 O ATOM 100 CB ARG A 16 2.305 13.663 5.053 1.00 0.00 C ATOM 101 CG ARG A 16 2.085 14.417 3.752 1.00 0.00 C ATOM 102 CD ARG A 16 3.074 13.983 2.682 1.00 0.00 C ATOM 103 NE ARG A 16 4.417 14.498 2.937 1.00 0.00 N ATOM 104 CZ ARG A 16 5.467 14.226 2.170 1.00 0.00 C ATOM 105 NH1 ARG A 16 5.329 13.449 1.104 1.00 0.00 N ATOM 106 NH2 ARG A 16 6.657 14.732 2.467 1.00 0.00 N ATOM 0 H ARG A 16 2.585 15.672 6.629 1.00 0.00 H new ATOM 0 HA ARG A 16 0.312 14.023 5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.325 13.838 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.212 12.594 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.068 14.247 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.186 15.488 3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.106 12.894 2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.731 14.332 1.708 1.00 0.00 H new ATOM 0 HE ARG A 16 4.556 15.100 3.749 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.415 13.059 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.136 13.241 0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.767 15.331 3.285 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.462 14.522 1.877 1.00 0.00 H new ATOM 120 N ASP A 17 2.573 13.111 8.019 1.00 0.00 N ATOM 121 CA ASP A 17 2.803 12.224 9.153 1.00 0.00 C ATOM 122 C ASP A 17 2.216 10.840 8.889 1.00 0.00 C ATOM 123 O ASP A 17 1.594 10.240 9.766 1.00 0.00 O ATOM 124 CB ASP A 17 2.192 12.816 10.424 1.00 0.00 C ATOM 125 CG ASP A 17 0.677 12.774 10.412 1.00 0.00 C ATOM 126 OD1 ASP A 17 0.060 13.733 9.902 1.00 0.00 O ATOM 127 OD2 ASP A 17 0.107 11.781 10.911 1.00 0.00 O ATOM 0 H ASP A 17 3.346 13.744 7.815 1.00 0.00 H new ATOM 0 HA ASP A 17 3.880 12.123 9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.561 12.267 11.291 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.523 13.848 10.536 1.00 0.00 H new ATOM 132 N THR A 18 2.416 10.340 7.674 1.00 0.00 N ATOM 133 CA THR A 18 1.905 9.029 7.293 1.00 0.00 C ATOM 134 C THR A 18 0.451 8.861 7.719 1.00 0.00 C ATOM 135 O THR A 18 0.074 7.834 8.284 1.00 0.00 O ATOM 136 CB THR A 18 2.745 7.897 7.914 1.00 0.00 C ATOM 137 OG1 THR A 18 2.973 8.161 9.303 1.00 0.00 O ATOM 138 CG2 THR A 18 4.078 7.754 7.195 1.00 0.00 C ATOM 0 H THR A 18 2.929 10.823 6.936 1.00 0.00 H new ATOM 0 HA THR A 18 1.972 8.967 6.207 1.00 0.00 H new ATOM 0 HB THR A 18 2.191 6.964 7.808 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.218 8.667 9.668 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.653 6.948 7.652 1.00 0.00 H new ATOM 0 HG22 THR A 18 3.902 7.524 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.636 8.687 7.273 1.00 0.00 H new ATOM 146 N LYS A 19 -0.362 9.875 7.446 1.00 0.00 N ATOM 147 CA LYS A 19 -1.776 9.840 7.799 1.00 0.00 C ATOM 148 C LYS A 19 -2.614 9.318 6.636 1.00 0.00 C ATOM 149 O LYS A 19 -3.546 8.538 6.832 1.00 0.00 O ATOM 150 CB LYS A 19 -2.257 11.235 8.202 1.00 0.00 C ATOM 151 CG LYS A 19 -3.588 11.232 8.934 1.00 0.00 C ATOM 152 CD LYS A 19 -4.017 12.638 9.320 1.00 0.00 C ATOM 153 CE LYS A 19 -4.901 12.631 10.557 1.00 0.00 C ATOM 154 NZ LYS A 19 -4.100 12.587 11.811 1.00 0.00 N ATOM 0 H LYS A 19 -0.065 10.733 6.981 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.897 9.163 8.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.504 11.700 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.345 11.852 7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.351 10.779 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.510 10.616 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.135 13.251 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.555 13.096 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.530 13.521 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.568 11.770 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.739 12.584 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.519 11.725 11.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.482 13.422 11.857 1.00 0.00 H new ATOM 168 N TRP A 20 -2.276 9.753 5.428 1.00 0.00 N ATOM 169 CA TRP A 20 -2.997 9.328 4.233 1.00 0.00 C ATOM 170 C TRP A 20 -2.417 8.031 3.679 1.00 0.00 C ATOM 171 O TRP A 20 -2.919 7.484 2.697 1.00 0.00 O ATOM 172 CB TRP A 20 -2.946 10.421 3.165 1.00 0.00 C ATOM 173 CG TRP A 20 -1.610 10.536 2.496 1.00 0.00 C ATOM 174 CD1 TRP A 20 -0.527 11.239 2.943 1.00 0.00 C ATOM 175 CD2 TRP A 20 -1.215 9.932 1.260 1.00 0.00 C ATOM 176 NE1 TRP A 20 0.516 11.108 2.059 1.00 0.00 N ATOM 177 CE2 TRP A 20 0.120 10.310 1.018 1.00 0.00 C ATOM 178 CE3 TRP A 20 -1.859 9.106 0.334 1.00 0.00 C ATOM 179 CZ2 TRP A 20 0.819 9.891 -0.110 1.00 0.00 C ATOM 180 CZ3 TRP A 20 -1.164 8.691 -0.785 1.00 0.00 C ATOM 181 CH2 TRP A 20 0.164 9.083 -1.000 1.00 0.00 C ATOM 0 H TRP A 20 -1.508 10.400 5.249 1.00 0.00 H new ATOM 0 HA TRP A 20 -4.036 9.150 4.511 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -3.706 10.217 2.410 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.199 11.378 3.622 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.496 11.813 3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.436 11.536 2.161 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -2.882 8.798 0.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.842 10.193 -0.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -1.653 8.053 -1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.681 8.741 -1.885 1.00 0.00 H new ATOM 192 N LEU A 21 -1.357 7.544 4.314 1.00 0.00 N ATOM 193 CA LEU A 21 -0.708 6.310 3.885 1.00 0.00 C ATOM 194 C LEU A 21 -1.017 5.168 4.847 1.00 0.00 C ATOM 195 O LEU A 21 -0.174 4.305 5.096 1.00 0.00 O ATOM 196 CB LEU A 21 0.805 6.514 3.786 1.00 0.00 C ATOM 197 CG LEU A 21 1.295 7.341 2.597 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.689 7.887 2.865 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.283 6.505 1.325 1.00 0.00 C ATOM 0 H LEU A 21 -0.928 7.985 5.128 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.098 6.047 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.147 6.994 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.281 5.535 3.742 1.00 0.00 H new ATOM 0 HG LEU A 21 0.617 8.184 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.021 8.473 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.667 8.521 3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.379 7.059 3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.635 7.110 0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.938 5.643 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.268 6.163 1.124 1.00 0.00 H new ATOM 211 N THR A 22 -2.232 5.168 5.386 1.00 0.00 N ATOM 212 CA THR A 22 -2.654 4.132 6.321 1.00 0.00 C ATOM 213 C THR A 22 -3.693 3.212 5.690 1.00 0.00 C ATOM 214 O THR A 22 -4.379 3.593 4.740 1.00 0.00 O ATOM 215 CB THR A 22 -3.239 4.741 7.609 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.078 5.856 7.286 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.129 5.190 8.547 1.00 0.00 C ATOM 0 H THR A 22 -2.942 5.874 5.191 1.00 0.00 H new ATOM 0 HA THR A 22 -1.765 3.553 6.573 1.00 0.00 H new ATOM 0 HB THR A 22 -3.830 3.975 8.111 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.528 6.661 7.184 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.566 5.617 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.509 4.334 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.515 5.942 8.051 1.00 0.00 H new ATOM 225 N LEU A 23 -3.805 2.000 6.223 1.00 0.00 N ATOM 226 CA LEU A 23 -4.762 1.025 5.712 1.00 0.00 C ATOM 227 C LEU A 23 -5.261 0.115 6.829 1.00 0.00 C ATOM 228 O LEU A 23 -4.507 -0.244 7.733 1.00 0.00 O ATOM 229 CB LEU A 23 -4.124 0.187 4.603 1.00 0.00 C ATOM 230 CG LEU A 23 -4.058 0.840 3.221 1.00 0.00 C ATOM 231 CD1 LEU A 23 -3.246 -0.017 2.264 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.459 1.074 2.675 1.00 0.00 C ATOM 0 H LEU A 23 -3.245 1.669 7.009 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.614 1.569 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.110 -0.073 4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.680 -0.747 4.515 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.562 1.806 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.210 0.464 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.233 -0.132 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.712 -0.998 2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.393 1.539 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.981 0.121 2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.008 1.730 3.351 1.00 0.00 H new ATOM 244 N GLU A 24 -6.536 -0.255 6.759 1.00 0.00 N ATOM 245 CA GLU A 24 -7.134 -1.125 7.765 1.00 0.00 C ATOM 246 C GLU A 24 -6.530 -2.525 7.702 1.00 0.00 C ATOM 247 O GLU A 24 -6.399 -3.110 6.627 1.00 0.00 O ATOM 248 CB GLU A 24 -8.650 -1.203 7.568 1.00 0.00 C ATOM 249 CG GLU A 24 -9.381 0.068 7.965 1.00 0.00 C ATOM 250 CD GLU A 24 -10.728 0.204 7.282 1.00 0.00 C ATOM 251 OE1 GLU A 24 -11.406 -0.828 7.099 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.104 1.342 6.931 1.00 0.00 O ATOM 0 H GLU A 24 -7.174 0.034 6.017 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.923 -0.701 8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.861 -1.422 6.521 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.042 -2.035 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.523 0.078 9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.763 0.931 7.716 1.00 0.00 H new ATOM 259 N VAL A 25 -6.162 -3.057 8.864 1.00 0.00 N ATOM 260 CA VAL A 25 -5.572 -4.388 8.943 1.00 0.00 C ATOM 261 C VAL A 25 -6.649 -5.461 9.057 1.00 0.00 C ATOM 262 O VAL A 25 -7.527 -5.386 9.918 1.00 0.00 O ATOM 263 CB VAL A 25 -4.614 -4.507 10.143 1.00 0.00 C ATOM 264 CG1 VAL A 25 -3.996 -5.896 10.198 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.536 -3.437 10.072 1.00 0.00 C ATOM 0 H VAL A 25 -6.262 -2.586 9.763 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.009 -4.540 8.022 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.186 -4.354 11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.322 -5.961 11.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.785 -6.641 10.300 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.438 -6.082 9.281 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.868 -3.536 10.928 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.966 -3.556 9.151 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.000 -2.451 10.087 1.00 0.00 H new ATOM 275 N CYS A 26 -6.576 -6.460 8.184 1.00 0.00 N ATOM 276 CA CYS A 26 -7.544 -7.550 8.186 1.00 0.00 C ATOM 277 C CYS A 26 -7.617 -8.210 9.560 1.00 0.00 C ATOM 278 O CYS A 26 -6.719 -8.956 9.949 1.00 0.00 O ATOM 279 CB CYS A 26 -7.175 -8.590 7.127 1.00 0.00 C ATOM 280 SG CYS A 26 -8.441 -9.875 6.873 1.00 0.00 S ATOM 0 H CYS A 26 -5.856 -6.537 7.466 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.523 -7.133 7.950 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.995 -8.081 6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.239 -9.069 7.414 1.00 0.00 H new ATOM 285 N ARG A 27 -8.693 -7.931 10.288 1.00 0.00 N ATOM 286 CA ARG A 27 -8.883 -8.496 11.619 1.00 0.00 C ATOM 287 C ARG A 27 -8.535 -9.982 11.632 1.00 0.00 C ATOM 288 O ARG A 27 -7.727 -10.432 12.444 1.00 0.00 O ATOM 289 CB ARG A 27 -10.328 -8.295 12.080 1.00 0.00 C ATOM 290 CG ARG A 27 -10.575 -8.730 13.515 1.00 0.00 C ATOM 291 CD ARG A 27 -12.009 -8.460 13.940 1.00 0.00 C ATOM 292 NE ARG A 27 -12.431 -9.333 15.032 1.00 0.00 N ATOM 293 CZ ARG A 27 -13.639 -9.290 15.583 1.00 0.00 C ATOM 294 NH1 ARG A 27 -14.540 -8.422 15.146 1.00 0.00 N ATOM 295 NH2 ARG A 27 -13.948 -10.118 16.573 1.00 0.00 N ATOM 0 H ARG A 27 -9.447 -7.317 9.979 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.215 -7.977 12.306 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.590 -7.242 11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.992 -8.854 11.420 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.359 -9.793 13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.892 -8.201 14.179 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.105 -7.420 14.250 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -12.672 -8.601 13.087 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.761 -10.013 15.391 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.307 -7.785 14.385 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -15.467 -8.391 15.571 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.258 -10.788 16.912 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -14.876 -10.084 16.995 1.00 0.00 H new ATOM 309 N GLN A 28 -9.152 -10.737 10.729 1.00 0.00 N ATOM 310 CA GLN A 28 -8.908 -12.172 10.638 1.00 0.00 C ATOM 311 C GLN A 28 -7.415 -12.465 10.545 1.00 0.00 C ATOM 312 O GLN A 28 -6.864 -13.202 11.364 1.00 0.00 O ATOM 313 CB GLN A 28 -9.632 -12.758 9.425 1.00 0.00 C ATOM 314 CG GLN A 28 -11.138 -12.857 9.604 1.00 0.00 C ATOM 315 CD GLN A 28 -11.790 -13.759 8.575 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.284 -13.921 7.464 1.00 0.00 O ATOM 317 NE2 GLN A 28 -12.921 -14.353 8.939 1.00 0.00 N ATOM 0 H GLN A 28 -9.824 -10.379 10.050 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.295 -12.639 11.543 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.418 -12.141 8.552 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.233 -13.751 9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.357 -13.234 10.603 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.574 -11.860 9.536 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.306 -14.191 9.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.405 -14.971 8.288 1.00 0.00 H new ATOM 326 N PHE A 29 -6.764 -11.885 9.542 1.00 0.00 N ATOM 327 CA PHE A 29 -5.334 -12.086 9.341 1.00 0.00 C ATOM 328 C PHE A 29 -4.597 -12.130 10.676 1.00 0.00 C ATOM 329 O PHE A 29 -3.876 -13.083 10.967 1.00 0.00 O ATOM 330 CB PHE A 29 -4.759 -10.971 8.465 1.00 0.00 C ATOM 331 CG PHE A 29 -3.260 -10.887 8.508 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.481 -11.967 8.126 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.630 -9.728 8.931 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.101 -11.893 8.166 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.250 -9.647 8.973 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.485 -10.731 8.589 1.00 0.00 C ATOM 0 H PHE A 29 -7.204 -11.272 8.856 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.195 -13.043 8.838 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.077 -11.129 7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.178 -10.017 8.784 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.957 -12.877 7.793 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.224 -8.877 9.232 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.505 -12.743 7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.771 -8.738 9.305 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.593 -10.670 8.619 1.00 0.00 H new ATOM 346 N GLN A 30 -4.786 -11.091 11.483 1.00 0.00 N ATOM 347 CA GLN A 30 -4.139 -11.010 12.787 1.00 0.00 C ATOM 348 C GLN A 30 -4.257 -12.333 13.537 1.00 0.00 C ATOM 349 O GLN A 30 -3.262 -12.876 14.018 1.00 0.00 O ATOM 350 CB GLN A 30 -4.756 -9.883 13.617 1.00 0.00 C ATOM 351 CG GLN A 30 -4.067 -8.541 13.429 1.00 0.00 C ATOM 352 CD GLN A 30 -2.670 -8.514 14.017 1.00 0.00 C ATOM 353 OE1 GLN A 30 -2.492 -8.280 15.213 1.00 0.00 O ATOM 354 NE2 GLN A 30 -1.669 -8.756 13.178 1.00 0.00 N ATOM 0 H GLN A 30 -5.381 -10.294 11.257 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.082 -10.797 12.627 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.808 -9.782 13.352 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.718 -10.157 14.671 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.014 -8.310 12.365 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.668 -7.760 13.895 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.862 -8.945 12.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.707 -8.753 13.517 1.00 0.00 H new ATOM 363 N ARG A 31 -5.479 -12.846 13.633 1.00 0.00 N ATOM 364 CA ARG A 31 -5.727 -14.104 14.325 1.00 0.00 C ATOM 365 C ARG A 31 -5.265 -15.289 13.482 1.00 0.00 C ATOM 366 O ARG A 31 -4.980 -16.364 14.007 1.00 0.00 O ATOM 367 CB ARG A 31 -7.215 -14.247 14.651 1.00 0.00 C ATOM 368 CG ARG A 31 -7.744 -13.158 15.571 1.00 0.00 C ATOM 369 CD ARG A 31 -9.027 -13.588 16.264 1.00 0.00 C ATOM 370 NE ARG A 31 -8.765 -14.262 17.533 1.00 0.00 N ATOM 371 CZ ARG A 31 -9.625 -15.087 18.118 1.00 0.00 C ATOM 372 NH1 ARG A 31 -10.797 -15.340 17.552 1.00 0.00 N ATOM 373 NH2 ARG A 31 -9.314 -15.661 19.273 1.00 0.00 N ATOM 0 H ARG A 31 -6.313 -12.409 13.240 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.157 -14.096 15.254 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.785 -14.235 13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.385 -15.218 15.116 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.990 -12.914 16.319 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.927 -12.251 14.995 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.654 -12.714 16.441 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.587 -14.255 15.608 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.872 -14.089 17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.040 -14.900 16.664 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.455 -15.974 18.004 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.414 -15.469 19.712 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.975 -16.295 19.722 1.00 0.00 H new ATOM 387 N GLY A 32 -5.194 -15.084 12.170 1.00 0.00 N ATOM 388 CA GLY A 32 -4.767 -16.143 11.275 1.00 0.00 C ATOM 389 C GLY A 32 -5.925 -16.982 10.775 1.00 0.00 C ATOM 390 O GLY A 32 -5.774 -18.178 10.523 1.00 0.00 O ATOM 0 H GLY A 32 -5.425 -14.203 11.711 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.245 -15.706 10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.054 -16.785 11.791 1.00 0.00 H new ATOM 394 N THR A 33 -7.089 -16.356 10.632 1.00 0.00 N ATOM 395 CA THR A 33 -8.280 -17.053 10.162 1.00 0.00 C ATOM 396 C THR A 33 -8.778 -16.464 8.847 1.00 0.00 C ATOM 397 O THR A 33 -9.979 -16.455 8.575 1.00 0.00 O ATOM 398 CB THR A 33 -9.414 -16.992 11.202 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.944 -15.663 11.271 1.00 0.00 O ATOM 400 CG2 THR A 33 -8.914 -17.416 12.574 1.00 0.00 C ATOM 0 H THR A 33 -7.232 -15.367 10.835 1.00 0.00 H new ATOM 0 HA THR A 33 -7.997 -18.094 10.006 1.00 0.00 H new ATOM 0 HB THR A 33 -10.200 -17.681 10.891 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.666 -15.633 11.933 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.733 -17.365 13.292 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.538 -18.438 12.525 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.112 -16.750 12.891 1.00 0.00 H new ATOM 408 N CYS A 34 -7.849 -15.974 8.034 1.00 0.00 N ATOM 409 CA CYS A 34 -8.194 -15.383 6.747 1.00 0.00 C ATOM 410 C CYS A 34 -7.806 -16.312 5.600 1.00 0.00 C ATOM 411 O CYS A 34 -6.645 -16.364 5.195 1.00 0.00 O ATOM 412 CB CYS A 34 -7.497 -14.031 6.580 1.00 0.00 C ATOM 413 SG CYS A 34 -7.709 -13.283 4.932 1.00 0.00 S ATOM 0 H CYS A 34 -6.851 -15.974 8.244 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.273 -15.234 6.722 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.880 -13.341 7.332 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.432 -14.157 6.776 1.00 0.00 H new ATOM 418 N SER A 35 -8.786 -17.044 5.081 1.00 0.00 N ATOM 419 CA SER A 35 -8.548 -17.974 3.984 1.00 0.00 C ATOM 420 C SER A 35 -8.616 -17.257 2.639 1.00 0.00 C ATOM 421 O SER A 35 -8.933 -17.862 1.615 1.00 0.00 O ATOM 422 CB SER A 35 -9.570 -19.112 4.020 1.00 0.00 C ATOM 423 OG SER A 35 -9.219 -20.142 3.113 1.00 0.00 O ATOM 0 H SER A 35 -9.753 -17.011 5.403 1.00 0.00 H new ATOM 0 HA SER A 35 -7.548 -18.390 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.631 -19.518 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.558 -18.725 3.771 1.00 0.00 H new ATOM 0 HG SER A 35 -8.971 -19.748 2.251 1.00 0.00 H new ATOM 429 N ARG A 36 -8.316 -15.962 2.650 1.00 0.00 N ATOM 430 CA ARG A 36 -8.344 -15.160 1.433 1.00 0.00 C ATOM 431 C ARG A 36 -6.930 -14.805 0.983 1.00 0.00 C ATOM 432 O ARG A 36 -6.123 -14.312 1.771 1.00 0.00 O ATOM 433 CB ARG A 36 -9.157 -13.883 1.656 1.00 0.00 C ATOM 434 CG ARG A 36 -10.656 -14.121 1.739 1.00 0.00 C ATOM 435 CD ARG A 36 -11.315 -13.998 0.374 1.00 0.00 C ATOM 436 NE ARG A 36 -12.743 -14.299 0.427 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.602 -13.961 -0.528 1.00 0.00 C ATOM 438 NH1 ARG A 36 -13.179 -13.313 -1.605 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.886 -14.271 -0.408 1.00 0.00 N ATOM 0 H ARG A 36 -8.051 -15.446 3.489 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.818 -15.751 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.822 -13.406 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.953 -13.186 0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.846 -15.113 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.102 -13.402 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.171 -12.987 -0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.827 -14.676 -0.326 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.101 -14.796 1.243 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.192 -13.073 -1.701 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.840 -13.054 -2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.215 -14.770 0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.544 -14.011 -1.142 1.00 0.00 H new ATOM 453 N SER A 37 -6.638 -15.058 -0.288 1.00 0.00 N ATOM 454 CA SER A 37 -5.320 -14.769 -0.842 1.00 0.00 C ATOM 455 C SER A 37 -4.945 -13.308 -0.617 1.00 0.00 C ATOM 456 O SER A 37 -5.743 -12.523 -0.103 1.00 0.00 O ATOM 457 CB SER A 37 -5.290 -15.091 -2.337 1.00 0.00 C ATOM 458 OG SER A 37 -5.667 -16.436 -2.577 1.00 0.00 O ATOM 0 H SER A 37 -7.296 -15.463 -0.954 1.00 0.00 H new ATOM 0 HA SER A 37 -4.591 -15.396 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.964 -14.421 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.289 -14.915 -2.730 1.00 0.00 H new ATOM 0 HG SER A 37 -5.641 -16.616 -3.540 1.00 0.00 H new ATOM 464 N ASP A 38 -3.726 -12.950 -1.005 1.00 0.00 N ATOM 465 CA ASP A 38 -3.244 -11.582 -0.847 1.00 0.00 C ATOM 466 C ASP A 38 -3.873 -10.661 -1.888 1.00 0.00 C ATOM 467 O ASP A 38 -4.106 -9.482 -1.626 1.00 0.00 O ATOM 468 CB ASP A 38 -1.720 -11.540 -0.964 1.00 0.00 C ATOM 469 CG ASP A 38 -1.138 -10.227 -0.477 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.833 -9.195 -0.583 1.00 0.00 O ATOM 471 OD2 ASP A 38 0.012 -10.232 0.010 1.00 0.00 O ATOM 0 H ASP A 38 -3.053 -13.588 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.534 -11.232 0.144 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.292 -12.360 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.434 -11.698 -2.004 1.00 0.00 H new ATOM 476 N GLU A 39 -4.143 -11.208 -3.069 1.00 0.00 N ATOM 477 CA GLU A 39 -4.743 -10.434 -4.150 1.00 0.00 C ATOM 478 C GLU A 39 -6.254 -10.646 -4.197 1.00 0.00 C ATOM 479 O GLU A 39 -6.944 -10.073 -5.040 1.00 0.00 O ATOM 480 CB GLU A 39 -4.120 -10.823 -5.492 1.00 0.00 C ATOM 481 CG GLU A 39 -2.650 -10.458 -5.609 1.00 0.00 C ATOM 482 CD GLU A 39 -2.438 -9.040 -6.103 1.00 0.00 C ATOM 483 OE1 GLU A 39 -3.319 -8.189 -5.857 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.394 -8.781 -6.737 1.00 0.00 O ATOM 0 H GLU A 39 -3.956 -12.183 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.547 -9.379 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.232 -11.898 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.672 -10.334 -6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.172 -10.575 -4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.160 -11.153 -6.291 1.00 0.00 H new ATOM 491 N GLU A 40 -6.758 -11.473 -3.287 1.00 0.00 N ATOM 492 CA GLU A 40 -8.187 -11.761 -3.226 1.00 0.00 C ATOM 493 C GLU A 40 -8.860 -10.946 -2.125 1.00 0.00 C ATOM 494 O GLU A 40 -9.910 -10.340 -2.340 1.00 0.00 O ATOM 495 CB GLU A 40 -8.418 -13.254 -2.985 1.00 0.00 C ATOM 496 CG GLU A 40 -8.295 -14.100 -4.241 1.00 0.00 C ATOM 497 CD GLU A 40 -9.407 -13.833 -5.236 1.00 0.00 C ATOM 498 OE1 GLU A 40 -10.507 -13.431 -4.803 1.00 0.00 O ATOM 499 OE2 GLU A 40 -9.176 -14.025 -6.448 1.00 0.00 O ATOM 0 H GLU A 40 -6.200 -11.955 -2.583 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.630 -11.482 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.700 -13.609 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.411 -13.395 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.334 -13.902 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.304 -15.155 -3.966 1.00 0.00 H new ATOM 506 N CYS A 41 -8.248 -10.937 -0.946 1.00 0.00 N ATOM 507 CA CYS A 41 -8.787 -10.199 0.190 1.00 0.00 C ATOM 508 C CYS A 41 -8.734 -8.695 -0.065 1.00 0.00 C ATOM 509 O CYS A 41 -7.796 -8.191 -0.682 1.00 0.00 O ATOM 510 CB CYS A 41 -8.008 -10.539 1.462 1.00 0.00 C ATOM 511 SG CYS A 41 -8.877 -10.107 3.004 1.00 0.00 S ATOM 0 H CYS A 41 -7.378 -11.433 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.829 -10.492 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.790 -11.607 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.051 -10.018 1.439 1.00 0.00 H new ATOM 516 N LYS A 42 -9.748 -7.983 0.416 1.00 0.00 N ATOM 517 CA LYS A 42 -9.819 -6.537 0.243 1.00 0.00 C ATOM 518 C LYS A 42 -9.140 -5.817 1.404 1.00 0.00 C ATOM 519 O LYS A 42 -9.498 -4.688 1.741 1.00 0.00 O ATOM 520 CB LYS A 42 -11.277 -6.087 0.131 1.00 0.00 C ATOM 521 CG LYS A 42 -12.105 -6.396 1.366 1.00 0.00 C ATOM 522 CD LYS A 42 -12.955 -7.641 1.170 1.00 0.00 C ATOM 523 CE LYS A 42 -13.824 -7.920 2.386 1.00 0.00 C ATOM 524 NZ LYS A 42 -15.041 -7.062 2.406 1.00 0.00 N ATOM 0 H LYS A 42 -10.533 -8.385 0.929 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.295 -6.279 -0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.304 -5.013 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.733 -6.572 -0.732 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.445 -6.536 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.749 -5.547 1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.587 -7.516 0.291 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.309 -8.498 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.119 -8.969 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.245 -7.750 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.607 -7.282 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.760 -6.061 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.607 -7.243 1.553 1.00 0.00 H new ATOM 538 N PHE A 43 -8.159 -6.476 2.011 1.00 0.00 N ATOM 539 CA PHE A 43 -7.430 -5.898 3.134 1.00 0.00 C ATOM 540 C PHE A 43 -5.942 -6.219 3.040 1.00 0.00 C ATOM 541 O PHE A 43 -5.532 -7.095 2.278 1.00 0.00 O ATOM 542 CB PHE A 43 -7.993 -6.419 4.457 1.00 0.00 C ATOM 543 CG PHE A 43 -9.445 -6.091 4.662 1.00 0.00 C ATOM 544 CD1 PHE A 43 -9.904 -4.793 4.509 1.00 0.00 C ATOM 545 CD2 PHE A 43 -10.350 -7.081 5.008 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.238 -4.488 4.697 1.00 0.00 C ATOM 547 CE2 PHE A 43 -11.687 -6.783 5.197 1.00 0.00 C ATOM 548 CZ PHE A 43 -12.131 -5.485 5.041 1.00 0.00 C ATOM 0 H PHE A 43 -7.850 -7.411 1.744 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.553 -4.816 3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -7.864 -7.501 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.414 -5.999 5.279 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.211 -4.010 4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.007 -8.098 5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.583 -3.472 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -12.383 -7.564 5.466 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.175 -5.249 5.188 1.00 0.00 H new ATOM 558 N ALA A 44 -5.137 -5.504 3.819 1.00 0.00 N ATOM 559 CA ALA A 44 -3.695 -5.713 3.825 1.00 0.00 C ATOM 560 C ALA A 44 -3.273 -6.598 4.994 1.00 0.00 C ATOM 561 O ALA A 44 -3.829 -6.504 6.089 1.00 0.00 O ATOM 562 CB ALA A 44 -2.968 -4.378 3.883 1.00 0.00 C ATOM 0 H ALA A 44 -5.460 -4.774 4.455 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.423 -6.222 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.892 -4.550 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.237 -3.779 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.254 -3.847 4.791 1.00 0.00 H new ATOM 568 N HIS A 45 -2.289 -7.459 4.753 1.00 0.00 N ATOM 569 CA HIS A 45 -1.794 -8.361 5.786 1.00 0.00 C ATOM 570 C HIS A 45 -0.312 -8.118 6.055 1.00 0.00 C ATOM 571 O HIS A 45 0.564 -8.684 5.400 1.00 0.00 O ATOM 572 CB HIS A 45 -2.017 -9.816 5.372 1.00 0.00 C ATOM 573 CG HIS A 45 -3.416 -10.103 4.923 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.584 -9.481 5.211 1.00 0.00 N flip ATOM 575 CD2 HIS A 45 -3.736 -11.142 4.075 1.00 0.00 C flip ATOM 576 CE1 HIS A 45 -5.577 -10.148 4.538 1.00 0.00 C flip ATOM 577 NE2 HIS A 45 -5.040 -11.146 3.859 1.00 0.00 N flip ATOM 0 H HIS A 45 -1.819 -7.551 3.852 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.349 -8.163 6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.327 -10.066 4.566 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.773 -10.466 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.031 -11.843 3.653 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.627 -9.898 4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -5.545 -11.807 3.269 1.00 0.00 H new ATOM 585 N PRO A 46 -0.022 -7.255 7.040 1.00 0.00 N ATOM 586 CA PRO A 46 1.353 -6.917 7.418 1.00 0.00 C ATOM 587 C PRO A 46 2.072 -8.080 8.093 1.00 0.00 C ATOM 588 O PRO A 46 1.628 -8.608 9.112 1.00 0.00 O ATOM 589 CB PRO A 46 1.177 -5.755 8.399 1.00 0.00 C ATOM 590 CG PRO A 46 -0.189 -5.942 8.965 1.00 0.00 C ATOM 591 CD PRO A 46 -1.015 -6.543 7.862 1.00 0.00 C ATOM 0 HA PRO A 46 1.965 -6.671 6.550 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.936 -5.778 9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.268 -4.793 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.164 -6.597 9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.609 -4.991 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.774 -7.221 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.537 -5.777 7.288 1.00 0.00 H new ATOM 599 N PRO A 47 3.210 -8.490 7.513 1.00 0.00 N ATOM 600 CA PRO A 47 4.015 -9.594 8.043 1.00 0.00 C ATOM 601 C PRO A 47 4.699 -9.235 9.358 1.00 0.00 C ATOM 602 O PRO A 47 4.937 -8.062 9.645 1.00 0.00 O ATOM 603 CB PRO A 47 5.056 -9.833 6.946 1.00 0.00 C ATOM 604 CG PRO A 47 5.168 -8.526 6.240 1.00 0.00 C ATOM 605 CD PRO A 47 3.799 -7.906 6.296 1.00 0.00 C ATOM 0 HA PRO A 47 3.406 -10.469 8.270 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.013 -10.138 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.740 -10.625 6.266 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.907 -7.885 6.721 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.491 -8.666 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.852 -6.819 6.357 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.212 -8.147 5.410 1.00 0.00 H new ATOM 613 N LYS A 48 5.013 -10.252 10.153 1.00 0.00 N ATOM 614 CA LYS A 48 5.671 -10.044 11.438 1.00 0.00 C ATOM 615 C LYS A 48 6.816 -9.044 11.307 1.00 0.00 C ATOM 616 O LYS A 48 6.959 -8.140 12.129 1.00 0.00 O ATOM 617 CB LYS A 48 6.200 -11.372 11.984 1.00 0.00 C ATOM 618 CG LYS A 48 5.117 -12.266 12.563 1.00 0.00 C ATOM 619 CD LYS A 48 4.592 -11.724 13.881 1.00 0.00 C ATOM 620 CE LYS A 48 3.457 -12.579 14.424 1.00 0.00 C ATOM 621 NZ LYS A 48 2.226 -12.458 13.595 1.00 0.00 N ATOM 0 H LYS A 48 4.822 -11.229 9.930 1.00 0.00 H new ATOM 0 HA LYS A 48 4.936 -9.639 12.133 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.711 -11.907 11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.942 -11.168 12.756 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.296 -12.352 11.851 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.515 -13.270 12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.402 -11.688 14.609 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.243 -10.701 13.742 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.772 -13.622 14.457 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.236 -12.281 15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.431 -12.916 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.007 -11.453 13.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.379 -12.921 12.676 1.00 0.00 H new ATOM 635 N SER A 49 7.627 -9.214 10.268 1.00 0.00 N ATOM 636 CA SER A 49 8.761 -8.327 10.031 1.00 0.00 C ATOM 637 C SER A 49 8.305 -6.874 9.946 1.00 0.00 C ATOM 638 O SER A 49 8.955 -5.975 10.481 1.00 0.00 O ATOM 639 CB SER A 49 9.484 -8.723 8.743 1.00 0.00 C ATOM 640 OG SER A 49 10.317 -9.850 8.952 1.00 0.00 O ATOM 0 H SER A 49 7.521 -9.957 9.577 1.00 0.00 H new ATOM 0 HA SER A 49 9.450 -8.425 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.753 -8.946 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.083 -7.885 8.386 1.00 0.00 H new ATOM 0 HG SER A 49 10.767 -10.084 8.113 1.00 0.00 H new ATOM 646 N CYS A 50 7.184 -6.651 9.269 1.00 0.00 N ATOM 647 CA CYS A 50 6.640 -5.306 9.112 1.00 0.00 C ATOM 648 C CYS A 50 5.976 -4.834 10.401 1.00 0.00 C ATOM 649 O CYS A 50 5.269 -5.595 11.060 1.00 0.00 O ATOM 650 CB CYS A 50 5.632 -5.273 7.963 1.00 0.00 C ATOM 651 SG CYS A 50 6.381 -5.365 6.320 1.00 0.00 S ATOM 0 H CYS A 50 6.634 -7.383 8.820 1.00 0.00 H new ATOM 0 HA CYS A 50 7.465 -4.631 8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.936 -6.104 8.080 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.047 -4.356 8.033 1.00 0.00 H new ATOM 0 HG CYS A 50 6.757 -4.178 5.947 1.00 0.00 H new ATOM 657 N GLN A 51 6.211 -3.575 10.755 1.00 0.00 N ATOM 658 CA GLN A 51 5.637 -3.002 11.967 1.00 0.00 C ATOM 659 C GLN A 51 4.131 -2.813 11.820 1.00 0.00 C ATOM 660 O GLN A 51 3.660 -2.247 10.832 1.00 0.00 O ATOM 661 CB GLN A 51 6.303 -1.663 12.289 1.00 0.00 C ATOM 662 CG GLN A 51 6.031 -1.173 13.702 1.00 0.00 C ATOM 663 CD GLN A 51 6.505 0.250 13.927 1.00 0.00 C ATOM 664 OE1 GLN A 51 5.759 1.206 13.713 1.00 0.00 O ATOM 665 NE2 GLN A 51 7.751 0.397 14.360 1.00 0.00 N ATOM 0 H GLN A 51 6.795 -2.932 10.220 1.00 0.00 H new ATOM 0 HA GLN A 51 5.819 -3.696 12.788 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.380 -1.759 12.147 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.954 -0.913 11.580 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.961 -1.232 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.526 -1.834 14.413 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.334 -0.424 14.524 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.125 1.331 14.529 1.00 0.00 H new ATOM 674 N VAL A 52 3.380 -3.289 12.807 1.00 0.00 N ATOM 675 CA VAL A 52 1.927 -3.171 12.788 1.00 0.00 C ATOM 676 C VAL A 52 1.446 -2.134 13.796 1.00 0.00 C ATOM 677 O VAL A 52 1.857 -2.145 14.956 1.00 0.00 O ATOM 678 CB VAL A 52 1.250 -4.521 13.094 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.263 -4.387 13.025 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.743 -5.593 12.134 1.00 0.00 C ATOM 0 H VAL A 52 3.754 -3.760 13.631 1.00 0.00 H new ATOM 0 HA VAL A 52 1.649 -2.853 11.783 1.00 0.00 H new ATOM 0 HB VAL A 52 1.518 -4.821 14.107 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.724 -5.350 13.244 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.597 -3.651 13.756 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.554 -4.064 12.026 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.255 -6.540 12.364 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.506 -5.302 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.822 -5.706 12.238 1.00 0.00 H new ATOM 690 N GLU A 53 0.573 -1.239 13.345 1.00 0.00 N ATOM 691 CA GLU A 53 0.036 -0.194 14.209 1.00 0.00 C ATOM 692 C GLU A 53 -1.241 -0.663 14.901 1.00 0.00 C ATOM 693 O GLU A 53 -1.866 -1.635 14.481 1.00 0.00 O ATOM 694 CB GLU A 53 -0.246 1.073 13.400 1.00 0.00 C ATOM 695 CG GLU A 53 -0.091 2.355 14.201 1.00 0.00 C ATOM 696 CD GLU A 53 1.353 2.649 14.558 1.00 0.00 C ATOM 697 OE1 GLU A 53 2.203 1.752 14.382 1.00 0.00 O ATOM 698 OE2 GLU A 53 1.633 3.778 15.013 1.00 0.00 O ATOM 0 H GLU A 53 0.223 -1.216 12.387 1.00 0.00 H new ATOM 0 HA GLU A 53 0.782 0.029 14.972 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.429 1.105 12.545 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.260 1.023 13.004 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.496 3.189 13.627 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.680 2.281 15.115 1.00 0.00 H new ATOM 705 N ASN A 54 -1.621 0.037 15.966 1.00 0.00 N ATOM 706 CA ASN A 54 -2.822 -0.308 16.718 1.00 0.00 C ATOM 707 C ASN A 54 -4.034 -0.400 15.795 1.00 0.00 C ATOM 708 O ASN A 54 -4.540 0.613 15.315 1.00 0.00 O ATOM 709 CB ASN A 54 -3.079 0.730 17.812 1.00 0.00 C ATOM 710 CG ASN A 54 -2.365 0.392 19.107 1.00 0.00 C ATOM 711 OD1 ASN A 54 -2.296 -0.770 19.506 1.00 0.00 O ATOM 712 ND2 ASN A 54 -1.831 1.411 19.771 1.00 0.00 N ATOM 0 H ASN A 54 -1.115 0.846 16.327 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.664 -1.283 17.180 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.751 1.710 17.464 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.151 0.800 17.998 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.339 1.246 20.649 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.913 2.359 19.403 1.00 0.00 H new ATOM 719 N GLY A 55 -4.494 -1.624 15.552 1.00 0.00 N ATOM 720 CA GLY A 55 -5.642 -1.826 14.688 1.00 0.00 C ATOM 721 C GLY A 55 -5.453 -1.207 13.317 1.00 0.00 C ATOM 722 O GLY A 55 -6.417 -1.022 12.574 1.00 0.00 O ATOM 0 H GLY A 55 -4.092 -2.478 15.938 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.826 -2.895 14.578 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.527 -1.396 15.158 1.00 0.00 H new ATOM 726 N ARG A 56 -4.209 -0.884 12.982 1.00 0.00 N ATOM 727 CA ARG A 56 -3.897 -0.279 11.693 1.00 0.00 C ATOM 728 C ARG A 56 -2.443 -0.538 11.308 1.00 0.00 C ATOM 729 O ARG A 56 -1.643 -0.984 12.129 1.00 0.00 O ATOM 730 CB ARG A 56 -4.164 1.227 11.735 1.00 0.00 C ATOM 731 CG ARG A 56 -4.553 1.814 10.387 1.00 0.00 C ATOM 732 CD ARG A 56 -5.018 3.256 10.521 1.00 0.00 C ATOM 733 NE ARG A 56 -6.063 3.402 11.531 1.00 0.00 N ATOM 734 CZ ARG A 56 -5.816 3.622 12.817 1.00 0.00 C ATOM 735 NH1 ARG A 56 -4.566 3.720 13.249 1.00 0.00 N ATOM 736 NH2 ARG A 56 -6.821 3.744 13.676 1.00 0.00 N ATOM 0 H ARG A 56 -3.400 -1.031 13.586 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.541 -0.735 10.941 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.960 1.427 12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.272 1.736 12.100 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.701 1.767 9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.347 1.214 9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.169 3.888 10.783 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.392 3.607 9.559 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.036 3.331 11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.791 3.626 12.593 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.380 3.889 14.238 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.784 3.669 13.348 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.630 3.913 14.664 1.00 0.00 H new ATOM 750 N VAL A 57 -2.110 -0.254 10.053 1.00 0.00 N ATOM 751 CA VAL A 57 -0.753 -0.456 9.558 1.00 0.00 C ATOM 752 C VAL A 57 -0.387 0.593 8.514 1.00 0.00 C ATOM 753 O VAL A 57 -1.211 0.964 7.678 1.00 0.00 O ATOM 754 CB VAL A 57 -0.582 -1.858 8.944 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.585 -2.075 7.821 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.841 -2.049 8.443 1.00 0.00 C ATOM 0 H VAL A 57 -2.761 0.117 9.361 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.086 -0.360 10.415 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.773 -2.601 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.449 -3.071 7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.597 -1.983 8.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.428 -1.327 7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.944 -3.045 8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.063 -1.300 7.683 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.537 -1.939 9.274 1.00 0.00 H new ATOM 766 N ILE A 58 0.853 1.066 8.568 1.00 0.00 N ATOM 767 CA ILE A 58 1.329 2.071 7.626 1.00 0.00 C ATOM 768 C ILE A 58 1.857 1.423 6.351 1.00 0.00 C ATOM 769 O ILE A 58 2.615 0.455 6.402 1.00 0.00 O ATOM 770 CB ILE A 58 2.439 2.942 8.243 1.00 0.00 C ATOM 771 CG1 ILE A 58 1.935 3.619 9.519 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.918 3.979 7.240 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.033 4.268 10.333 1.00 0.00 C ATOM 0 H ILE A 58 1.547 0.769 9.254 1.00 0.00 H new ATOM 0 HA ILE A 58 0.475 2.704 7.383 1.00 0.00 H new ATOM 0 HB ILE A 58 3.282 2.301 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.196 4.375 9.252 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.425 2.879 10.136 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.702 4.587 7.691 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.312 3.476 6.357 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.084 4.619 6.952 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.603 4.728 11.223 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.760 3.513 10.631 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.528 5.032 9.733 1.00 0.00 H new ATOM 785 N ALA A 59 1.452 1.964 5.206 1.00 0.00 N ATOM 786 CA ALA A 59 1.888 1.441 3.917 1.00 0.00 C ATOM 787 C ALA A 59 3.262 1.985 3.540 1.00 0.00 C ATOM 788 O ALA A 59 3.694 3.018 4.053 1.00 0.00 O ATOM 789 CB ALA A 59 0.870 1.780 2.839 1.00 0.00 C ATOM 0 H ALA A 59 0.823 2.764 5.145 1.00 0.00 H new ATOM 0 HA ALA A 59 1.966 0.357 4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.208 1.384 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.093 1.337 3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.764 2.862 2.766 1.00 0.00 H new ATOM 795 N CYS A 60 3.945 1.283 2.642 1.00 0.00 N ATOM 796 CA CYS A 60 5.271 1.694 2.197 1.00 0.00 C ATOM 797 C CYS A 60 5.173 2.667 1.025 1.00 0.00 C ATOM 798 O CYS A 60 4.245 2.595 0.220 1.00 0.00 O ATOM 799 CB CYS A 60 6.097 0.472 1.792 1.00 0.00 C ATOM 800 SG CYS A 60 7.795 0.865 1.261 1.00 0.00 S ATOM 0 H CYS A 60 3.602 0.426 2.208 1.00 0.00 H new ATOM 0 HA CYS A 60 5.766 2.200 3.026 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.142 -0.218 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.585 -0.047 0.981 1.00 0.00 H new ATOM 805 N PHE A 61 6.139 3.575 0.936 1.00 0.00 N ATOM 806 CA PHE A 61 6.163 4.563 -0.137 1.00 0.00 C ATOM 807 C PHE A 61 6.652 3.939 -1.440 1.00 0.00 C ATOM 808 O PHE A 61 5.931 3.915 -2.438 1.00 0.00 O ATOM 809 CB PHE A 61 7.061 5.741 0.246 1.00 0.00 C ATOM 810 CG PHE A 61 7.161 6.791 -0.823 1.00 0.00 C ATOM 811 CD1 PHE A 61 6.022 7.409 -1.315 1.00 0.00 C ATOM 812 CD2 PHE A 61 8.394 7.161 -1.337 1.00 0.00 C ATOM 813 CE1 PHE A 61 6.110 8.375 -2.299 1.00 0.00 C ATOM 814 CE2 PHE A 61 8.488 8.127 -2.321 1.00 0.00 C ATOM 815 CZ PHE A 61 7.345 8.734 -2.803 1.00 0.00 C ATOM 0 H PHE A 61 6.915 3.647 1.594 1.00 0.00 H new ATOM 0 HA PHE A 61 5.146 4.924 -0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.678 6.198 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.060 5.368 0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.054 7.132 -0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.291 6.689 -0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.215 8.849 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.455 8.407 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.417 9.488 -3.573 1.00 0.00 H new ATOM 825 N ASP A 62 7.881 3.436 -1.424 1.00 0.00 N ATOM 826 CA ASP A 62 8.468 2.811 -2.604 1.00 0.00 C ATOM 827 C ASP A 62 7.541 1.739 -3.167 1.00 0.00 C ATOM 828 O ASP A 62 7.264 1.711 -4.367 1.00 0.00 O ATOM 829 CB ASP A 62 9.827 2.200 -2.261 1.00 0.00 C ATOM 830 CG ASP A 62 10.932 3.237 -2.212 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.802 4.276 -2.893 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.927 3.010 -1.492 1.00 0.00 O ATOM 0 H ASP A 62 8.491 3.449 -0.606 1.00 0.00 H new ATOM 0 HA ASP A 62 8.607 3.581 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.763 1.696 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.078 1.440 -3.001 1.00 0.00 H new ATOM 837 N SER A 63 7.066 0.856 -2.295 1.00 0.00 N ATOM 838 CA SER A 63 6.175 -0.223 -2.706 1.00 0.00 C ATOM 839 C SER A 63 5.158 0.274 -3.729 1.00 0.00 C ATOM 840 O SER A 63 4.932 -0.364 -4.758 1.00 0.00 O ATOM 841 CB SER A 63 5.451 -0.806 -1.492 1.00 0.00 C ATOM 842 OG SER A 63 4.448 0.079 -1.022 1.00 0.00 O ATOM 0 H SER A 63 7.283 0.866 -1.298 1.00 0.00 H new ATOM 0 HA SER A 63 6.779 -1.004 -3.168 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.001 -1.762 -1.758 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.169 -1.002 -0.696 1.00 0.00 H new ATOM 0 HG SER A 63 4.854 0.940 -0.791 1.00 0.00 H new ATOM 848 N LEU A 64 4.547 1.418 -3.439 1.00 0.00 N ATOM 849 CA LEU A 64 3.553 2.002 -4.333 1.00 0.00 C ATOM 850 C LEU A 64 4.027 1.951 -5.782 1.00 0.00 C ATOM 851 O LEU A 64 3.249 1.658 -6.691 1.00 0.00 O ATOM 852 CB LEU A 64 3.264 3.449 -3.930 1.00 0.00 C ATOM 853 CG LEU A 64 2.829 3.668 -2.480 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.812 5.151 -2.146 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.461 3.048 -2.234 1.00 0.00 C ATOM 0 H LEU A 64 4.722 1.959 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 64 2.637 1.418 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.160 4.042 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.485 3.839 -4.585 1.00 0.00 H new ATOM 0 HG LEU A 64 3.551 3.178 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.500 5.287 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.811 5.566 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.113 5.665 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.168 3.213 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.728 3.509 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.506 1.977 -2.432 1.00 0.00 H new ATOM 867 N LYS A 65 5.308 2.235 -5.991 1.00 0.00 N ATOM 868 CA LYS A 65 5.888 2.219 -7.328 1.00 0.00 C ATOM 869 C LYS A 65 5.962 0.795 -7.872 1.00 0.00 C ATOM 870 O LYS A 65 5.879 0.576 -9.079 1.00 0.00 O ATOM 871 CB LYS A 65 7.285 2.842 -7.309 1.00 0.00 C ATOM 872 CG LYS A 65 7.274 4.355 -7.171 1.00 0.00 C ATOM 873 CD LYS A 65 6.933 5.032 -8.487 1.00 0.00 C ATOM 874 CE LYS A 65 7.132 6.538 -8.407 1.00 0.00 C ATOM 875 NZ LYS A 65 6.277 7.264 -9.386 1.00 0.00 N ATOM 0 H LYS A 65 5.965 2.479 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 65 5.244 2.807 -7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.853 2.414 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.806 2.573 -8.228 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.548 4.647 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.250 4.697 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.558 4.623 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.898 4.814 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.901 6.882 -7.399 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.179 6.776 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.442 8.287 -9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.514 6.955 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.276 7.057 -9.193 1.00 0.00 H new ATOM 889 N GLY A 66 6.118 -0.170 -6.970 1.00 0.00 N ATOM 890 CA GLY A 66 6.200 -1.560 -7.379 1.00 0.00 C ATOM 891 C GLY A 66 7.569 -2.160 -7.125 1.00 0.00 C ATOM 892 O GLY A 66 7.736 -3.379 -7.157 1.00 0.00 O ATOM 0 H GLY A 66 6.189 -0.014 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.448 -2.138 -6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.964 -1.638 -8.440 1.00 0.00 H new ATOM 896 N ARG A 67 8.552 -1.301 -6.873 1.00 0.00 N ATOM 897 CA ARG A 67 9.914 -1.753 -6.615 1.00 0.00 C ATOM 898 C ARG A 67 10.476 -1.096 -5.359 1.00 0.00 C ATOM 899 O ARG A 67 10.807 0.090 -5.361 1.00 0.00 O ATOM 900 CB ARG A 67 10.812 -1.441 -7.813 1.00 0.00 C ATOM 901 CG ARG A 67 12.251 -1.897 -7.630 1.00 0.00 C ATOM 902 CD ARG A 67 13.118 -1.494 -8.813 1.00 0.00 C ATOM 903 NE ARG A 67 12.829 -2.294 -10.001 1.00 0.00 N ATOM 904 CZ ARG A 67 13.664 -2.413 -11.027 1.00 0.00 C ATOM 905 NH1 ARG A 67 14.833 -1.789 -11.011 1.00 0.00 N ATOM 906 NH2 ARG A 67 13.330 -3.160 -12.072 1.00 0.00 N ATOM 0 H ARG A 67 8.430 -0.289 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 67 9.889 -2.832 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.398 -1.919 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.801 -0.366 -7.995 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.657 -1.465 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.278 -2.980 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.957 -0.440 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.169 -1.606 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 67 11.938 -2.788 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.094 -1.215 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.472 -1.883 -11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.432 -3.643 -12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.972 -3.251 -12.860 1.00 0.00 H new ATOM 920 N CYS A 68 10.581 -1.873 -4.286 1.00 0.00 N ATOM 921 CA CYS A 68 11.102 -1.368 -3.022 1.00 0.00 C ATOM 922 C CYS A 68 12.567 -1.758 -2.843 1.00 0.00 C ATOM 923 O CYS A 68 13.009 -2.795 -3.337 1.00 0.00 O ATOM 924 CB CYS A 68 10.273 -1.904 -1.854 1.00 0.00 C ATOM 925 SG CYS A 68 10.810 -1.299 -0.222 1.00 0.00 S ATOM 0 H CYS A 68 10.312 -2.857 -4.267 1.00 0.00 H new ATOM 0 HA CYS A 68 11.033 -0.280 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.229 -1.628 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.319 -2.993 -1.859 1.00 0.00 H new ATOM 930 N SER A 69 13.314 -0.919 -2.131 1.00 0.00 N ATOM 931 CA SER A 69 14.729 -1.174 -1.889 1.00 0.00 C ATOM 932 C SER A 69 14.953 -1.685 -0.469 1.00 0.00 C ATOM 933 O SER A 69 15.482 -2.778 -0.267 1.00 0.00 O ATOM 934 CB SER A 69 15.545 0.099 -2.120 1.00 0.00 C ATOM 935 OG SER A 69 16.932 -0.186 -2.165 1.00 0.00 O ATOM 0 H SER A 69 12.963 -0.058 -1.712 1.00 0.00 H new ATOM 0 HA SER A 69 15.060 -1.941 -2.589 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.236 0.568 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.343 0.814 -1.322 1.00 0.00 H new ATOM 0 HG SER A 69 17.432 0.644 -2.315 1.00 0.00 H new ATOM 941 N ARG A 70 14.548 -0.885 0.512 1.00 0.00 N ATOM 942 CA ARG A 70 14.705 -1.254 1.913 1.00 0.00 C ATOM 943 C ARG A 70 14.520 -2.756 2.104 1.00 0.00 C ATOM 944 O ARG A 70 13.433 -3.289 1.887 1.00 0.00 O ATOM 945 CB ARG A 70 13.701 -0.491 2.780 1.00 0.00 C ATOM 946 CG ARG A 70 13.935 1.010 2.805 1.00 0.00 C ATOM 947 CD ARG A 70 12.643 1.772 3.057 1.00 0.00 C ATOM 948 NE ARG A 70 12.273 1.770 4.470 1.00 0.00 N ATOM 949 CZ ARG A 70 11.430 2.643 5.010 1.00 0.00 C ATOM 950 NH1 ARG A 70 10.873 3.583 4.259 1.00 0.00 N ATOM 951 NH2 ARG A 70 11.143 2.576 6.303 1.00 0.00 N ATOM 0 H ARG A 70 14.109 0.023 0.362 1.00 0.00 H new ATOM 0 HA ARG A 70 15.716 -0.988 2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.694 -0.687 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.749 -0.875 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.660 1.253 3.582 1.00 0.00 H new ATOM 0 HG3 ARG A 70 14.367 1.328 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.756 2.800 2.713 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.839 1.326 2.471 1.00 0.00 H new ATOM 0 HE ARG A 70 12.684 1.059 5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.091 3.637 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.226 4.252 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.570 1.854 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.496 3.247 6.717 1.00 0.00 H new ATOM 965 N GLU A 71 15.590 -3.432 2.511 1.00 0.00 N ATOM 966 CA GLU A 71 15.545 -4.873 2.729 1.00 0.00 C ATOM 967 C GLU A 71 14.572 -5.223 3.852 1.00 0.00 C ATOM 968 O GLU A 71 13.563 -5.890 3.627 1.00 0.00 O ATOM 969 CB GLU A 71 16.940 -5.405 3.064 1.00 0.00 C ATOM 970 CG GLU A 71 17.874 -5.459 1.867 1.00 0.00 C ATOM 971 CD GLU A 71 17.563 -6.614 0.936 1.00 0.00 C ATOM 972 OE1 GLU A 71 18.050 -7.734 1.196 1.00 0.00 O ATOM 973 OE2 GLU A 71 16.832 -6.397 -0.053 1.00 0.00 O ATOM 0 H GLU A 71 16.498 -3.005 2.696 1.00 0.00 H new ATOM 0 HA GLU A 71 15.196 -5.343 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.385 -4.774 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.846 -6.405 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.804 -4.522 1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.903 -5.546 2.217 1.00 0.00 H new ATOM 980 N ASN A 72 14.885 -4.768 5.061 1.00 0.00 N ATOM 981 CA ASN A 72 14.039 -5.034 6.219 1.00 0.00 C ATOM 982 C ASN A 72 12.949 -3.975 6.352 1.00 0.00 C ATOM 983 O ASN A 72 12.490 -3.676 7.455 1.00 0.00 O ATOM 984 CB ASN A 72 14.884 -5.075 7.494 1.00 0.00 C ATOM 985 CG ASN A 72 15.497 -3.728 7.825 1.00 0.00 C ATOM 986 OD1 ASN A 72 15.436 -2.793 7.027 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.092 -3.623 9.008 1.00 0.00 N ATOM 0 H ASN A 72 15.717 -4.214 5.264 1.00 0.00 H new ATOM 0 HA ASN A 72 13.562 -6.004 6.075 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.263 -5.403 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.677 -5.813 7.377 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.522 -2.741 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.119 -4.425 9.638 1.00 0.00 H new ATOM 994 N CYS A 73 12.540 -3.411 5.221 1.00 0.00 N ATOM 995 CA CYS A 73 11.504 -2.385 5.209 1.00 0.00 C ATOM 996 C CYS A 73 10.449 -2.664 6.276 1.00 0.00 C ATOM 997 O CYS A 73 9.727 -3.659 6.207 1.00 0.00 O ATOM 998 CB CYS A 73 10.843 -2.314 3.830 1.00 0.00 C ATOM 999 SG CYS A 73 9.847 -0.813 3.560 1.00 0.00 S ATOM 0 H CYS A 73 12.910 -3.647 4.300 1.00 0.00 H new ATOM 0 HA CYS A 73 11.975 -1.427 5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.617 -2.366 3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.206 -3.189 3.699 1.00 0.00 H new ATOM 1004 N LYS A 74 10.366 -1.779 7.263 1.00 0.00 N ATOM 1005 CA LYS A 74 9.400 -1.927 8.345 1.00 0.00 C ATOM 1006 C LYS A 74 8.036 -1.383 7.935 1.00 0.00 C ATOM 1007 O LYS A 74 7.322 -0.793 8.746 1.00 0.00 O ATOM 1008 CB LYS A 74 9.894 -1.202 9.600 1.00 0.00 C ATOM 1009 CG LYS A 74 9.999 0.304 9.431 1.00 0.00 C ATOM 1010 CD LYS A 74 10.620 0.960 10.652 1.00 0.00 C ATOM 1011 CE LYS A 74 12.134 1.038 10.535 1.00 0.00 C ATOM 1012 NZ LYS A 74 12.560 2.013 9.493 1.00 0.00 N ATOM 0 H LYS A 74 10.957 -0.951 7.336 1.00 0.00 H new ATOM 0 HA LYS A 74 9.297 -2.990 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.217 -1.420 10.426 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.871 -1.597 9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.599 0.531 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.007 0.722 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.212 1.963 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.352 0.396 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.558 1.326 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.531 0.052 10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.510 2.370 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.578 1.544 8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.889 2.807 9.466 1.00 0.00 H new ATOM 1026 N TYR A 75 7.679 -1.585 6.671 1.00 0.00 N ATOM 1027 CA TYR A 75 6.400 -1.114 6.153 1.00 0.00 C ATOM 1028 C TYR A 75 5.743 -2.176 5.277 1.00 0.00 C ATOM 1029 O TYR A 75 6.424 -2.945 4.596 1.00 0.00 O ATOM 1030 CB TYR A 75 6.594 0.175 5.353 1.00 0.00 C ATOM 1031 CG TYR A 75 6.978 1.364 6.205 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.191 1.396 6.881 1.00 0.00 C ATOM 1033 CD2 TYR A 75 6.127 2.455 6.334 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.546 2.480 7.661 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.474 3.544 7.110 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.684 3.551 7.772 1.00 0.00 C ATOM 1037 OH TYR A 75 8.033 4.633 8.547 1.00 0.00 O ATOM 0 H TYR A 75 8.258 -2.072 5.986 1.00 0.00 H new ATOM 0 HA TYR A 75 5.745 -0.912 7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.366 0.013 4.601 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.672 0.404 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.868 0.559 6.796 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.178 2.451 5.819 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.493 2.489 8.181 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.802 4.385 7.198 1.00 0.00 H new ATOM 0 HH TYR A 75 7.317 5.301 8.518 1.00 0.00 H new ATOM 1047 N LEU A 76 4.415 -2.211 5.297 1.00 0.00 N ATOM 1048 CA LEU A 76 3.663 -3.178 4.504 1.00 0.00 C ATOM 1049 C LEU A 76 3.435 -2.660 3.088 1.00 0.00 C ATOM 1050 O LEU A 76 3.305 -1.455 2.869 1.00 0.00 O ATOM 1051 CB LEU A 76 2.320 -3.480 5.172 1.00 0.00 C ATOM 1052 CG LEU A 76 1.242 -4.081 4.269 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.606 -5.505 3.878 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.113 -4.045 4.960 1.00 0.00 C ATOM 0 H LEU A 76 3.837 -1.581 5.853 1.00 0.00 H new ATOM 0 HA LEU A 76 4.247 -4.096 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.495 -4.166 6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.933 -2.555 5.600 1.00 0.00 H new ATOM 0 HG LEU A 76 1.180 -3.482 3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.827 -5.916 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.555 -5.504 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.697 -6.117 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.868 -4.477 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.065 -4.620 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.378 -3.013 5.188 1.00 0.00 H new ATOM 1066 N HIS A 77 3.386 -3.579 2.128 1.00 0.00 N ATOM 1067 CA HIS A 77 3.170 -3.215 0.732 1.00 0.00 C ATOM 1068 C HIS A 77 1.764 -3.600 0.281 1.00 0.00 C ATOM 1069 O HIS A 77 1.486 -4.753 -0.050 1.00 0.00 O ATOM 1070 CB HIS A 77 4.209 -3.895 -0.160 1.00 0.00 C ATOM 1071 CG HIS A 77 5.621 -3.538 0.186 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.132 -2.880 1.252 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.697 -3.861 -0.614 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.493 -2.819 1.080 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.808 -3.419 -0.054 1.00 0.00 N flip ATOM 0 H HIS A 77 3.493 -4.580 2.291 1.00 0.00 H new ATOM 0 HA HIS A 77 3.277 -2.134 0.643 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.088 -4.976 -0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.018 -3.623 -1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.640 -4.393 -1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.192 -2.356 1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.749 -3.523 -0.433 1.00 0.00 H new ATOM 1083 N PRO A 78 0.855 -2.614 0.268 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.537 -2.825 -0.139 1.00 0.00 C ATOM 1085 C PRO A 78 -0.668 -3.098 -1.634 1.00 0.00 C ATOM 1086 O PRO A 78 0.089 -2.577 -2.453 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.218 -1.504 0.225 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.123 -0.494 0.200 1.00 0.00 C ATOM 1089 CD PRO A 78 1.117 -1.216 0.651 1.00 0.00 C ATOM 0 HA PRO A 78 -0.977 -3.695 0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.004 -1.254 -0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.685 -1.557 1.208 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.007 -0.084 -0.802 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.349 0.343 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.010 -0.826 0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.272 -1.116 1.725 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.651 -3.934 -2.000 1.00 0.00 N ATOM 1098 CA PRO A 79 -1.905 -4.294 -3.398 1.00 0.00 C ATOM 1099 C PRO A 79 -2.464 -3.127 -4.205 1.00 0.00 C ATOM 1100 O PRO A 79 -2.783 -2.073 -3.653 1.00 0.00 O ATOM 1101 CB PRO A 79 -2.940 -5.416 -3.293 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.629 -5.176 -1.994 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.591 -4.592 -1.076 1.00 0.00 C ATOM 0 HA PRO A 79 -0.991 -4.586 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.643 -5.385 -4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.464 -6.397 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.469 -4.492 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.031 -6.104 -1.588 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.029 -3.882 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.099 -5.363 -0.483 1.00 0.00 H new ATOM 1111 N THR A 80 -2.580 -3.322 -5.515 1.00 0.00 N ATOM 1112 CA THR A 80 -3.100 -2.285 -6.398 1.00 0.00 C ATOM 1113 C THR A 80 -4.566 -1.992 -6.099 1.00 0.00 C ATOM 1114 O THR A 80 -4.953 -0.839 -5.910 1.00 0.00 O ATOM 1115 CB THR A 80 -2.960 -2.686 -7.878 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.667 -3.256 -8.111 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.161 -1.482 -8.786 1.00 0.00 C ATOM 0 H THR A 80 -2.321 -4.188 -5.988 1.00 0.00 H new ATOM 0 HA THR A 80 -2.509 -1.388 -6.215 1.00 0.00 H new ATOM 0 HB THR A 80 -3.728 -3.425 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.587 -3.510 -9.054 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.057 -1.790 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.157 -1.069 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.413 -0.724 -8.556 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.378 -3.044 -6.056 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.803 -2.899 -5.779 1.00 0.00 C ATOM 1127 C HIS A 81 -7.029 -2.055 -4.528 1.00 0.00 C ATOM 1128 O HIS A 81 -8.101 -1.477 -4.342 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.452 -4.273 -5.606 1.00 0.00 C ATOM 1130 CG HIS A 81 -6.888 -5.063 -4.467 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.232 -5.100 -3.158 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -5.837 -5.945 -4.610 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.393 -5.995 -2.541 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.561 -6.492 -3.439 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.074 -4.005 -6.209 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.264 -2.392 -6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.523 -4.143 -5.452 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.330 -4.842 -6.528 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.976 -4.563 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.320 -6.156 -5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.410 -6.251 -1.492 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.015 -1.990 -3.672 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.103 -1.218 -2.438 1.00 0.00 C ATOM 1144 C LEU A 82 -5.505 0.173 -2.622 1.00 0.00 C ATOM 1145 O LEU A 82 -6.031 1.161 -2.108 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.384 -1.949 -1.303 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.164 -3.080 -0.633 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.305 -3.774 0.413 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.444 -2.548 -0.006 1.00 0.00 C ATOM 0 H LEU A 82 -5.122 -2.463 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.157 -1.109 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.453 -2.359 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.115 -1.218 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.433 -3.810 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.877 -4.576 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.417 -4.191 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.004 -3.053 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.986 -3.368 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.197 -1.797 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.068 -2.098 -0.778 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.403 0.245 -3.362 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.734 1.514 -3.618 1.00 0.00 C ATOM 1163 C LYS A 83 -4.750 2.625 -3.866 1.00 0.00 C ATOM 1164 O LYS A 83 -4.610 3.735 -3.353 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.798 1.387 -4.822 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.454 0.765 -4.485 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.495 0.838 -5.661 1.00 0.00 C ATOM 1168 CE LYS A 83 0.536 -0.279 -5.609 1.00 0.00 C ATOM 1169 NZ LYS A 83 1.267 -0.419 -6.900 1.00 0.00 N ATOM 0 H LYS A 83 -3.955 -0.562 -3.795 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.148 1.771 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.286 0.785 -5.589 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.634 2.376 -5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.019 1.279 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.596 -0.276 -4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.056 0.774 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.012 1.803 -5.659 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.248 -0.079 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.041 -1.220 -5.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.669 -1.376 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.609 -0.262 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.033 0.283 -6.943 1.00 0.00 H new ATOM 1183 N THR A 84 -5.775 2.317 -4.655 1.00 0.00 N ATOM 1184 CA THR A 84 -6.815 3.289 -4.970 1.00 0.00 C ATOM 1185 C THR A 84 -7.328 3.974 -3.708 1.00 0.00 C ATOM 1186 O THR A 84 -7.386 5.201 -3.638 1.00 0.00 O ATOM 1187 CB THR A 84 -8.000 2.627 -5.699 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.536 1.951 -6.873 1.00 0.00 O ATOM 1189 CG2 THR A 84 -9.046 3.663 -6.083 1.00 0.00 C ATOM 0 H THR A 84 -5.907 1.403 -5.087 1.00 0.00 H new ATOM 0 HA THR A 84 -6.364 4.033 -5.626 1.00 0.00 H new ATOM 0 HB THR A 84 -8.458 1.906 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.294 1.531 -7.330 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.873 3.172 -6.596 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.418 4.155 -5.184 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.598 4.405 -6.744 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.699 3.173 -2.715 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.208 3.704 -1.456 1.00 0.00 C ATOM 1199 C GLN A 85 -7.326 4.840 -0.948 1.00 0.00 C ATOM 1200 O GLN A 85 -7.817 5.917 -0.609 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.286 2.595 -0.405 1.00 0.00 C ATOM 1202 CG GLN A 85 -9.618 1.863 -0.390 1.00 0.00 C ATOM 1203 CD GLN A 85 -9.583 0.604 0.453 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -9.873 -0.490 -0.032 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -9.228 0.752 1.724 1.00 0.00 N ATOM 0 H GLN A 85 -7.657 2.155 -2.758 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.209 4.097 -1.635 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.488 1.876 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.107 3.026 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.390 2.530 -0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.897 1.604 -1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.996 1.678 2.084 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.188 -0.060 2.340 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.022 4.593 -0.899 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.070 5.596 -0.433 1.00 0.00 C ATOM 1216 C LEU A 86 -5.376 6.961 -1.041 1.00 0.00 C ATOM 1217 O LEU A 86 -5.491 7.957 -0.328 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.642 5.176 -0.785 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.115 3.928 -0.075 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -1.830 3.445 -0.729 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -2.890 4.211 1.403 1.00 0.00 C ATOM 0 H LEU A 86 -5.599 3.707 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.162 5.673 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.589 5.007 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.974 6.007 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.862 3.139 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.470 2.556 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.023 3.202 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.075 4.229 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.515 3.312 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.162 5.015 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.832 4.509 1.864 1.00 0.00 H new ATOM 1233 N GLU A 87 -5.507 6.998 -2.363 1.00 0.00 N ATOM 1234 CA GLU A 87 -5.801 8.241 -3.067 1.00 0.00 C ATOM 1235 C GLU A 87 -7.025 8.929 -2.469 1.00 0.00 C ATOM 1236 O GLU A 87 -6.966 10.095 -2.079 1.00 0.00 O ATOM 1237 CB GLU A 87 -6.032 7.968 -4.555 1.00 0.00 C ATOM 1238 CG GLU A 87 -4.815 7.400 -5.265 1.00 0.00 C ATOM 1239 CD GLU A 87 -3.552 8.190 -4.984 1.00 0.00 C ATOM 1240 OE1 GLU A 87 -3.632 9.435 -4.931 1.00 0.00 O ATOM 1241 OE2 GLU A 87 -2.485 7.564 -4.816 1.00 0.00 O ATOM 0 H GLU A 87 -5.414 6.182 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.943 8.903 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.863 7.271 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -6.328 8.896 -5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.668 6.366 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.999 7.387 -6.339 1.00 0.00 H new ATOM 1248 N ILE A 88 -8.132 8.198 -2.400 1.00 0.00 N ATOM 1249 CA ILE A 88 -9.369 8.736 -1.849 1.00 0.00 C ATOM 1250 C ILE A 88 -9.168 9.224 -0.418 1.00 0.00 C ATOM 1251 O ILE A 88 -9.280 10.416 -0.136 1.00 0.00 O ATOM 1252 CB ILE A 88 -10.497 7.688 -1.868 1.00 0.00 C ATOM 1253 CG1 ILE A 88 -10.760 7.215 -3.299 1.00 0.00 C ATOM 1254 CG2 ILE A 88 -11.765 8.263 -1.254 1.00 0.00 C ATOM 1255 CD1 ILE A 88 -11.501 5.898 -3.374 1.00 0.00 C ATOM 0 H ILE A 88 -8.198 7.231 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.655 9.577 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.185 6.830 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.336 7.977 -3.825 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -9.808 7.117 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.553 7.510 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -11.569 8.555 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.082 9.136 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -11.653 5.625 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.917 5.123 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -12.468 5.996 -2.881 1.00 0.00 H new ATOM 1267 N ASN A 89 -8.867 8.293 0.482 1.00 0.00 N ATOM 1268 CA ASN A 89 -8.648 8.628 1.884 1.00 0.00 C ATOM 1269 C ASN A 89 -7.453 9.564 2.040 1.00 0.00 C ATOM 1270 O ASN A 89 -6.307 9.119 2.097 1.00 0.00 O ATOM 1271 CB ASN A 89 -8.424 7.356 2.705 1.00 0.00 C ATOM 1272 CG ASN A 89 -8.901 7.501 4.137 1.00 0.00 C ATOM 1273 OD1 ASN A 89 -9.129 8.612 4.618 1.00 0.00 O ATOM 1274 ND2 ASN A 89 -9.054 6.376 4.826 1.00 0.00 N ATOM 0 H ASN A 89 -8.769 7.301 0.265 1.00 0.00 H new ATOM 0 HA ASN A 89 -9.538 9.139 2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.948 6.525 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.363 7.107 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -9.372 6.410 5.794 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -8.853 5.478 4.387 1.00 0.00 H new ATOM 1281 N SER A 90 -7.730 10.862 2.108 1.00 0.00 N ATOM 1282 CA SER A 90 -6.678 11.861 2.254 1.00 0.00 C ATOM 1283 C SER A 90 -6.851 12.647 3.550 1.00 0.00 C ATOM 1284 O SER A 90 -5.889 12.878 4.282 1.00 0.00 O ATOM 1285 CB SER A 90 -6.685 12.818 1.060 1.00 0.00 C ATOM 1286 OG SER A 90 -7.972 13.377 0.862 1.00 0.00 O ATOM 0 H SER A 90 -8.674 11.246 2.064 1.00 0.00 H new ATOM 0 HA SER A 90 -5.720 11.341 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.960 13.615 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.374 12.285 0.161 1.00 0.00 H new ATOM 0 HG SER A 90 -7.950 13.986 0.094 1.00 0.00 H new ATOM 1292 N GLY A 91 -8.086 13.055 3.828 1.00 0.00 N ATOM 1293 CA GLY A 91 -8.363 13.810 5.036 1.00 0.00 C ATOM 1294 C GLY A 91 -9.838 14.122 5.198 1.00 0.00 C ATOM 1295 O GLY A 91 -10.316 15.186 4.804 1.00 0.00 O ATOM 0 H GLY A 91 -8.899 12.876 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.017 13.245 5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.797 14.742 5.017 1.00 0.00 H new ATOM 1299 N PRO A 92 -10.585 13.178 5.790 1.00 0.00 N ATOM 1300 CA PRO A 92 -12.025 13.334 6.016 1.00 0.00 C ATOM 1301 C PRO A 92 -12.334 14.383 7.078 1.00 0.00 C ATOM 1302 O PRO A 92 -13.409 14.983 7.077 1.00 0.00 O ATOM 1303 CB PRO A 92 -12.462 11.946 6.492 1.00 0.00 C ATOM 1304 CG PRO A 92 -11.234 11.345 7.084 1.00 0.00 C ATOM 1305 CD PRO A 92 -10.081 11.886 6.284 1.00 0.00 C ATOM 0 HA PRO A 92 -12.544 13.675 5.120 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.264 12.014 7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.838 11.344 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.138 11.611 8.137 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -11.268 10.257 7.032 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.189 12.011 6.898 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.813 11.219 5.464 1.00 0.00 H new ATOM 1313 N SER A 93 -11.385 14.600 7.983 1.00 0.00 N ATOM 1314 CA SER A 93 -11.559 15.576 9.053 1.00 0.00 C ATOM 1315 C SER A 93 -11.304 16.991 8.545 1.00 0.00 C ATOM 1316 O SER A 93 -10.354 17.234 7.800 1.00 0.00 O ATOM 1317 CB SER A 93 -10.615 15.262 10.216 1.00 0.00 C ATOM 1318 OG SER A 93 -11.061 15.872 11.414 1.00 0.00 O ATOM 0 H SER A 93 -10.488 14.114 7.997 1.00 0.00 H new ATOM 0 HA SER A 93 -12.589 15.515 9.403 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.551 14.183 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.611 15.612 9.978 1.00 0.00 H new ATOM 0 HG SER A 93 -10.442 15.655 12.142 1.00 0.00 H new ATOM 1324 N SER A 94 -12.161 17.923 8.953 1.00 0.00 N ATOM 1325 CA SER A 94 -12.032 19.314 8.536 1.00 0.00 C ATOM 1326 C SER A 94 -10.940 20.021 9.333 1.00 0.00 C ATOM 1327 O SER A 94 -11.055 20.196 10.545 1.00 0.00 O ATOM 1328 CB SER A 94 -13.364 20.046 8.713 1.00 0.00 C ATOM 1329 OG SER A 94 -13.672 20.220 10.085 1.00 0.00 O ATOM 0 H SER A 94 -12.951 17.739 9.571 1.00 0.00 H new ATOM 0 HA SER A 94 -11.755 19.328 7.482 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.317 21.018 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.160 19.482 8.227 1.00 0.00 H new ATOM 0 HG SER A 94 -12.872 20.049 10.624 1.00 0.00 H new ATOM 1335 N GLY A 95 -9.879 20.426 8.641 1.00 0.00 N ATOM 1336 CA GLY A 95 -8.781 21.110 9.299 1.00 0.00 C ATOM 1337 C GLY A 95 -8.253 22.275 8.486 1.00 0.00 C ATOM 1338 O GLY A 95 -8.926 23.301 8.403 1.00 0.00 O ATOM 0 H GLY A 95 -9.760 20.293 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.113 21.471 10.272 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.973 20.402 9.481 1.00 0.00 H new TER 1342 GLY A 95 HETATM 1343 ZN ZN A 201 -7.734 -10.955 4.899 1.00 0.00 ZN HETATM 1344 ZN ZN A 401 9.070 -1.107 1.340 1.00 0.00 ZN