USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot -164:sc= -0.686! USER MOD Set 1.2: A 60 ASN : amide:sc= -4.27! K(o=-5!,f=-0.44) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0689 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.0219 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 34:sc= 0.4 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.707 K(o=-0.71,f=0) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= -0.551 X(o=-0.55,f=-0.96) USER MOD Single : A 29 THR OG1 : rot -71:sc= 0.438 USER MOD Single : A 39 ASN : amide:sc=-0.00179 X(o=-0.0018,f=-0.37) USER MOD Single : A 50 TYR OH : rot -27:sc= 0.0712 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.7) USER MOD Single : A 63 GLN : amide:sc= 0.297 X(o=0.3,f=-0.12) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 120:sc= 1.17 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.888 USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.543) USER MOD Single : A 74 SER OG : rot 162:sc= 0.0056 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=-0.00372 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.469 25.978 30.327 1.00 0.00 N ATOM 2 CA GLY A 1 4.308 25.272 29.819 1.00 0.00 C ATOM 3 C GLY A 1 3.018 25.732 30.468 1.00 0.00 C ATOM 4 O GLY A 1 3.040 26.422 31.488 1.00 0.00 O ATOM 0 H1 GLY A 1 5.903 26.530 29.560 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.178 26.618 31.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.160 25.292 30.693 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.241 25.419 28.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.435 24.203 29.988 1.00 0.00 H new ATOM 8 N SER A 2 1.890 25.352 29.876 1.00 0.00 N ATOM 9 CA SER A 2 0.585 25.736 30.401 1.00 0.00 C ATOM 10 C SER A 2 -0.425 24.605 30.225 1.00 0.00 C ATOM 11 O SER A 2 -0.558 24.039 29.140 1.00 0.00 O ATOM 12 CB SER A 2 0.080 26.998 29.699 1.00 0.00 C ATOM 13 OG SER A 2 0.605 28.165 30.308 1.00 0.00 O ATOM 0 H SER A 2 1.854 24.779 29.033 1.00 0.00 H new ATOM 0 HA SER A 2 0.695 25.940 31.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.366 26.972 28.648 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.009 27.025 29.732 1.00 0.00 H new ATOM 0 HG SER A 2 1.435 27.943 30.779 1.00 0.00 H new ATOM 19 N SER A 3 -1.134 24.281 31.302 1.00 0.00 N ATOM 20 CA SER A 3 -2.129 23.215 31.270 1.00 0.00 C ATOM 21 C SER A 3 -3.494 23.760 30.863 1.00 0.00 C ATOM 22 O SER A 3 -3.889 24.849 31.276 1.00 0.00 O ATOM 23 CB SER A 3 -2.224 22.537 32.638 1.00 0.00 C ATOM 24 OG SER A 3 -0.976 21.988 33.023 1.00 0.00 O ATOM 0 H SER A 3 -1.038 24.741 32.207 1.00 0.00 H new ATOM 0 HA SER A 3 -1.815 22.479 30.529 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.552 23.261 33.384 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.977 21.749 32.605 1.00 0.00 H new ATOM 0 HG SER A 3 -1.063 21.562 33.901 1.00 0.00 H new ATOM 30 N GLY A 4 -4.212 22.992 30.048 1.00 0.00 N ATOM 31 CA GLY A 4 -5.526 23.412 29.597 1.00 0.00 C ATOM 32 C GLY A 4 -5.529 24.831 29.065 1.00 0.00 C ATOM 33 O GLY A 4 -5.967 25.757 29.748 1.00 0.00 O ATOM 0 H GLY A 4 -3.907 22.086 29.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.873 22.734 28.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.232 23.335 30.424 1.00 0.00 H new ATOM 37 N SER A 5 -5.038 25.004 27.842 1.00 0.00 N ATOM 38 CA SER A 5 -4.981 26.322 27.220 1.00 0.00 C ATOM 39 C SER A 5 -4.722 26.204 25.721 1.00 0.00 C ATOM 40 O SER A 5 -3.728 25.614 25.296 1.00 0.00 O ATOM 41 CB SER A 5 -3.888 27.170 27.873 1.00 0.00 C ATOM 42 OG SER A 5 -2.600 26.663 27.570 1.00 0.00 O ATOM 0 H SER A 5 -4.674 24.248 27.262 1.00 0.00 H new ATOM 0 HA SER A 5 -5.945 26.809 27.367 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.967 28.201 27.527 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.032 27.185 28.953 1.00 0.00 H new ATOM 0 HG SER A 5 -2.602 26.283 26.667 1.00 0.00 H new ATOM 48 N SER A 6 -5.623 26.770 24.925 1.00 0.00 N ATOM 49 CA SER A 6 -5.495 26.727 23.473 1.00 0.00 C ATOM 50 C SER A 6 -5.246 28.121 22.907 1.00 0.00 C ATOM 51 O SER A 6 -5.540 29.127 23.552 1.00 0.00 O ATOM 52 CB SER A 6 -6.756 26.128 22.847 1.00 0.00 C ATOM 53 OG SER A 6 -6.469 25.530 21.595 1.00 0.00 O ATOM 0 H SER A 6 -6.450 27.264 25.261 1.00 0.00 H new ATOM 0 HA SER A 6 -4.640 26.097 23.227 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.182 25.384 23.520 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.507 26.907 22.718 1.00 0.00 H new ATOM 0 HG SER A 6 -7.291 25.153 21.216 1.00 0.00 H new ATOM 59 N GLY A 7 -4.701 28.173 21.695 1.00 0.00 N ATOM 60 CA GLY A 7 -4.420 29.448 21.062 1.00 0.00 C ATOM 61 C GLY A 7 -5.110 29.593 19.720 1.00 0.00 C ATOM 62 O GLY A 7 -6.109 28.931 19.437 1.00 0.00 O ATOM 0 H GLY A 7 -4.449 27.355 21.141 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.740 30.256 21.721 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.344 29.554 20.927 1.00 0.00 H new ATOM 66 N PRO A 8 -4.575 30.480 18.868 1.00 0.00 N ATOM 67 CA PRO A 8 -5.130 30.731 17.535 1.00 0.00 C ATOM 68 C PRO A 8 -4.927 29.552 16.590 1.00 0.00 C ATOM 69 O PRO A 8 -3.913 29.466 15.897 1.00 0.00 O ATOM 70 CB PRO A 8 -4.343 31.950 17.047 1.00 0.00 C ATOM 71 CG PRO A 8 -3.057 31.895 17.796 1.00 0.00 C ATOM 72 CD PRO A 8 -3.385 31.304 19.139 1.00 0.00 C ATOM 0 HA PRO A 8 -6.208 30.887 17.566 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.176 31.909 15.971 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.881 32.876 17.251 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.324 31.284 17.269 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.625 32.890 17.903 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.561 30.705 19.526 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.592 32.077 19.879 1.00 0.00 H new ATOM 80 N LYS A 9 -5.898 28.645 16.566 1.00 0.00 N ATOM 81 CA LYS A 9 -5.827 27.471 15.705 1.00 0.00 C ATOM 82 C LYS A 9 -5.272 27.836 14.331 1.00 0.00 C ATOM 83 O LYS A 9 -5.589 28.882 13.765 1.00 0.00 O ATOM 84 CB LYS A 9 -7.213 26.838 15.555 1.00 0.00 C ATOM 85 CG LYS A 9 -7.545 25.837 16.647 1.00 0.00 C ATOM 86 CD LYS A 9 -8.763 25.003 16.287 1.00 0.00 C ATOM 87 CE LYS A 9 -10.055 25.706 16.677 1.00 0.00 C ATOM 88 NZ LYS A 9 -11.201 24.758 16.752 1.00 0.00 N ATOM 0 H LYS A 9 -6.744 28.701 17.133 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.154 26.751 16.170 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.965 27.627 15.556 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.273 26.341 14.587 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.690 25.181 16.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.728 26.365 17.583 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.765 24.804 15.215 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.706 24.038 16.791 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.925 26.196 17.642 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.277 26.487 15.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.062 25.275 17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.342 24.309 15.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.001 24.027 17.464 1.00 0.00 H new ATOM 102 N PRO A 10 -4.425 26.953 13.781 1.00 0.00 N ATOM 103 CA PRO A 10 -3.810 27.161 12.467 1.00 0.00 C ATOM 104 C PRO A 10 -4.820 27.048 11.330 1.00 0.00 C ATOM 105 O PRO A 10 -6.005 26.800 11.560 1.00 0.00 O ATOM 106 CB PRO A 10 -2.777 26.035 12.377 1.00 0.00 C ATOM 107 CG PRO A 10 -3.297 24.971 13.280 1.00 0.00 C ATOM 108 CD PRO A 10 -4.002 25.686 14.399 1.00 0.00 C ATOM 0 HA PRO A 10 -3.383 28.159 12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.676 25.672 11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.791 26.376 12.693 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.980 24.308 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.485 24.352 13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.854 25.114 14.767 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.340 25.855 15.248 1.00 0.00 H new ATOM 116 N LEU A 11 -4.346 27.231 10.103 1.00 0.00 N ATOM 117 CA LEU A 11 -5.208 27.149 8.929 1.00 0.00 C ATOM 118 C LEU A 11 -4.966 25.852 8.165 1.00 0.00 C ATOM 119 O LEU A 11 -5.076 25.810 6.939 1.00 0.00 O ATOM 120 CB LEU A 11 -4.967 28.348 8.010 1.00 0.00 C ATOM 121 CG LEU A 11 -6.159 28.797 7.164 1.00 0.00 C ATOM 122 CD1 LEU A 11 -6.981 29.837 7.910 1.00 0.00 C ATOM 123 CD2 LEU A 11 -5.688 29.346 5.826 1.00 0.00 C ATOM 0 H LEU A 11 -3.369 27.437 9.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.244 27.161 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.644 29.190 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.142 28.106 7.340 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.792 27.930 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.825 30.145 7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.350 29.409 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.358 30.704 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.550 29.660 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.032 30.200 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.144 28.571 5.286 1.00 0.00 H new ATOM 135 N LYS A 12 -4.638 24.793 8.897 1.00 0.00 N ATOM 136 CA LYS A 12 -4.383 23.492 8.290 1.00 0.00 C ATOM 137 C LYS A 12 -5.600 23.010 7.505 1.00 0.00 C ATOM 138 O LYS A 12 -6.681 23.588 7.602 1.00 0.00 O ATOM 139 CB LYS A 12 -4.019 22.466 9.366 1.00 0.00 C ATOM 140 CG LYS A 12 -2.622 22.651 9.933 1.00 0.00 C ATOM 141 CD LYS A 12 -1.555 22.223 8.939 1.00 0.00 C ATOM 142 CE LYS A 12 -0.196 22.084 9.606 1.00 0.00 C ATOM 143 NZ LYS A 12 0.752 21.293 8.773 1.00 0.00 N ATOM 0 H LYS A 12 -4.542 24.810 9.912 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.546 23.599 7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.743 22.531 10.178 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.101 21.464 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.473 23.697 10.200 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.521 22.070 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.838 21.273 8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.493 22.954 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.221 23.074 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.315 21.603 10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.667 21.221 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.366 20.340 8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.886 21.765 7.856 1.00 0.00 H new ATOM 157 N ASN A 13 -5.415 21.947 6.729 1.00 0.00 N ATOM 158 CA ASN A 13 -6.498 21.387 5.928 1.00 0.00 C ATOM 159 C ASN A 13 -6.696 19.907 6.240 1.00 0.00 C ATOM 160 O ASN A 13 -5.862 19.071 5.892 1.00 0.00 O ATOM 161 CB ASN A 13 -6.206 21.571 4.438 1.00 0.00 C ATOM 162 CG ASN A 13 -7.471 21.712 3.614 1.00 0.00 C ATOM 163 OD1 ASN A 13 -7.939 22.822 3.358 1.00 0.00 O ATOM 164 ND2 ASN A 13 -8.032 20.584 3.194 1.00 0.00 N ATOM 0 H ASN A 13 -4.526 21.456 6.638 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.415 21.919 6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.585 22.456 4.299 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.632 20.718 4.075 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -8.885 20.616 2.636 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.610 19.686 3.430 1.00 0.00 H new ATOM 171 N LEU A 14 -7.806 19.590 6.898 1.00 0.00 N ATOM 172 CA LEU A 14 -8.115 18.211 7.257 1.00 0.00 C ATOM 173 C LEU A 14 -8.973 17.548 6.184 1.00 0.00 C ATOM 174 O LEU A 14 -10.068 17.060 6.464 1.00 0.00 O ATOM 175 CB LEU A 14 -8.837 18.163 8.605 1.00 0.00 C ATOM 176 CG LEU A 14 -7.997 18.528 9.830 1.00 0.00 C ATOM 177 CD1 LEU A 14 -7.706 20.020 9.852 1.00 0.00 C ATOM 178 CD2 LEU A 14 -8.704 18.101 11.108 1.00 0.00 C ATOM 0 H LEU A 14 -8.507 20.270 7.194 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.176 17.663 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.692 18.838 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.232 17.157 8.747 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.048 17.995 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.107 20.261 10.731 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.157 20.297 8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.644 20.573 9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.092 18.369 11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.668 18.606 11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.860 17.022 11.095 1.00 0.00 H new ATOM 190 N ASP A 15 -8.467 17.533 4.956 1.00 0.00 N ATOM 191 CA ASP A 15 -9.186 16.927 3.841 1.00 0.00 C ATOM 192 C ASP A 15 -9.446 15.447 4.102 1.00 0.00 C ATOM 193 O ASP A 15 -10.584 14.984 4.033 1.00 0.00 O ATOM 194 CB ASP A 15 -8.394 17.097 2.543 1.00 0.00 C ATOM 195 CG ASP A 15 -9.252 16.892 1.310 1.00 0.00 C ATOM 196 OD1 ASP A 15 -10.452 17.233 1.359 1.00 0.00 O ATOM 197 OD2 ASP A 15 -8.722 16.392 0.296 1.00 0.00 O ATOM 0 H ASP A 15 -7.562 17.933 4.707 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.146 17.434 3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.957 18.095 2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.568 16.386 2.529 1.00 0.00 H new ATOM 202 N GLY A 16 -8.382 14.707 4.401 1.00 0.00 N ATOM 203 CA GLY A 16 -8.517 13.287 4.667 1.00 0.00 C ATOM 204 C GLY A 16 -7.363 12.480 4.105 1.00 0.00 C ATOM 205 O GLY A 16 -6.920 11.509 4.718 1.00 0.00 O ATOM 0 H GLY A 16 -7.429 15.066 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.579 13.126 5.743 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.452 12.927 4.237 1.00 0.00 H new ATOM 209 N GLN A 17 -6.876 12.882 2.936 1.00 0.00 N ATOM 210 CA GLN A 17 -5.768 12.187 2.291 1.00 0.00 C ATOM 211 C GLN A 17 -4.723 11.760 3.316 1.00 0.00 C ATOM 212 O GLN A 17 -4.051 10.742 3.146 1.00 0.00 O ATOM 213 CB GLN A 17 -5.124 13.083 1.231 1.00 0.00 C ATOM 214 CG GLN A 17 -6.008 13.324 0.019 1.00 0.00 C ATOM 215 CD GLN A 17 -5.401 14.310 -0.960 1.00 0.00 C ATOM 216 OE1 GLN A 17 -4.396 14.957 -0.664 1.00 0.00 O ATOM 217 NE2 GLN A 17 -6.010 14.430 -2.134 1.00 0.00 N ATOM 0 H GLN A 17 -7.231 13.685 2.416 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.164 11.293 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.872 14.042 1.683 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.189 12.629 0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.187 12.377 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.978 13.696 0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.841 13.874 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.647 15.078 -2.833 1.00 0.00 H new ATOM 226 N PHE A 18 -4.590 12.544 4.381 1.00 0.00 N ATOM 227 CA PHE A 18 -3.626 12.247 5.434 1.00 0.00 C ATOM 228 C PHE A 18 -3.907 10.885 6.061 1.00 0.00 C ATOM 229 O PHE A 18 -5.014 10.621 6.530 1.00 0.00 O ATOM 230 CB PHE A 18 -3.663 13.335 6.510 1.00 0.00 C ATOM 231 CG PHE A 18 -3.441 14.719 5.971 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.494 15.449 5.445 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.178 15.290 5.991 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.293 16.724 4.949 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.971 16.564 5.497 1.00 0.00 C ATOM 236 CZ PHE A 18 -3.029 17.281 4.974 1.00 0.00 C ATOM 0 H PHE A 18 -5.138 13.390 4.537 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.633 12.222 4.986 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.628 13.301 7.016 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.902 13.119 7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.484 15.017 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.347 14.733 6.397 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.123 17.283 4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.983 16.999 5.520 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.869 18.276 4.585 1.00 0.00 H new ATOM 246 N CYS A 19 -2.896 10.023 6.065 1.00 0.00 N ATOM 247 CA CYS A 19 -3.032 8.687 6.633 1.00 0.00 C ATOM 248 C CYS A 19 -3.548 8.756 8.068 1.00 0.00 C ATOM 249 O CYS A 19 -3.286 9.720 8.785 1.00 0.00 O ATOM 250 CB CYS A 19 -1.689 7.955 6.596 1.00 0.00 C ATOM 251 SG CYS A 19 -1.710 6.323 7.405 1.00 0.00 S ATOM 0 H CYS A 19 -1.973 10.226 5.681 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.755 8.135 6.032 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.384 7.830 5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.935 8.578 7.077 1.00 0.00 H new ATOM 256 N GLU A 20 -4.281 7.725 8.477 1.00 0.00 N ATOM 257 CA GLU A 20 -4.833 7.669 9.826 1.00 0.00 C ATOM 258 C GLU A 20 -3.987 6.771 10.723 1.00 0.00 C ATOM 259 O GLU A 20 -3.720 7.104 11.879 1.00 0.00 O ATOM 260 CB GLU A 20 -6.275 7.160 9.789 1.00 0.00 C ATOM 261 CG GLU A 20 -7.304 8.258 9.580 1.00 0.00 C ATOM 262 CD GLU A 20 -7.734 8.910 10.880 1.00 0.00 C ATOM 263 OE1 GLU A 20 -8.641 8.366 11.544 1.00 0.00 O ATOM 264 OE2 GLU A 20 -7.164 9.963 11.234 1.00 0.00 O ATOM 0 H GLU A 20 -4.506 6.918 7.895 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.822 8.678 10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.372 6.426 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.493 6.643 10.724 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.890 9.017 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.178 7.841 9.080 1.00 0.00 H new ATOM 271 N ILE A 21 -3.568 5.631 10.184 1.00 0.00 N ATOM 272 CA ILE A 21 -2.753 4.685 10.935 1.00 0.00 C ATOM 273 C ILE A 21 -1.618 5.396 11.666 1.00 0.00 C ATOM 274 O ILE A 21 -1.562 5.397 12.896 1.00 0.00 O ATOM 275 CB ILE A 21 -2.157 3.602 10.017 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.272 2.857 9.280 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.308 2.631 10.824 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.764 1.878 8.245 1.00 0.00 C ATOM 0 H ILE A 21 -3.780 5.340 9.230 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.411 4.211 11.663 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.518 4.085 9.278 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.882 2.321 10.007 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.923 3.583 8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.894 1.872 10.161 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.495 3.173 11.307 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.926 2.152 11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.609 1.387 7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.179 2.411 7.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.137 1.129 8.729 1.00 0.00 H new ATOM 290 N CYS A 22 -0.717 6.002 10.900 1.00 0.00 N ATOM 291 CA CYS A 22 0.416 6.719 11.473 1.00 0.00 C ATOM 292 C CYS A 22 0.123 8.214 11.565 1.00 0.00 C ATOM 293 O CYS A 22 0.393 8.848 12.584 1.00 0.00 O ATOM 294 CB CYS A 22 1.672 6.485 10.632 1.00 0.00 C ATOM 295 SG CYS A 22 1.626 7.272 8.990 1.00 0.00 S ATOM 0 H CYS A 22 -0.750 6.011 9.881 1.00 0.00 H new ATOM 0 HA CYS A 22 0.585 6.337 12.480 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.537 6.860 11.179 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.816 5.412 10.505 1.00 0.00 H new ATOM 300 N GLY A 23 -0.430 8.770 10.492 1.00 0.00 N ATOM 301 CA GLY A 23 -0.750 10.186 10.472 1.00 0.00 C ATOM 302 C GLY A 23 -0.144 10.900 9.281 1.00 0.00 C ATOM 303 O GLY A 23 -0.789 11.746 8.661 1.00 0.00 O ATOM 0 H GLY A 23 -0.662 8.266 9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.833 10.310 10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.391 10.650 11.391 1.00 0.00 H new ATOM 307 N ASP A 24 1.100 10.562 8.960 1.00 0.00 N ATOM 308 CA ASP A 24 1.795 11.178 7.836 1.00 0.00 C ATOM 309 C ASP A 24 0.822 11.496 6.705 1.00 0.00 C ATOM 310 O ASP A 24 -0.180 10.806 6.523 1.00 0.00 O ATOM 311 CB ASP A 24 2.904 10.255 7.327 1.00 0.00 C ATOM 312 CG ASP A 24 3.778 9.727 8.447 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.054 10.492 9.395 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.185 8.549 8.377 1.00 0.00 O ATOM 0 H ASP A 24 1.648 9.864 9.463 1.00 0.00 H new ATOM 0 HA ASP A 24 2.240 12.111 8.182 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.458 9.416 6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.523 10.796 6.611 1.00 0.00 H new ATOM 319 N GLN A 25 1.125 12.547 5.949 1.00 0.00 N ATOM 320 CA GLN A 25 0.275 12.958 4.837 1.00 0.00 C ATOM 321 C GLN A 25 0.518 12.080 3.614 1.00 0.00 C ATOM 322 O GLN A 25 1.591 12.122 3.011 1.00 0.00 O ATOM 323 CB GLN A 25 0.532 14.425 4.487 1.00 0.00 C ATOM 324 CG GLN A 25 -0.344 14.942 3.358 1.00 0.00 C ATOM 325 CD GLN A 25 0.049 16.335 2.905 1.00 0.00 C ATOM 326 OE1 GLN A 25 1.232 16.677 2.868 1.00 0.00 O ATOM 327 NE2 GLN A 25 -0.942 17.147 2.558 1.00 0.00 N ATOM 0 H GLN A 25 1.952 13.129 6.086 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.765 12.842 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.366 15.036 5.374 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.579 14.546 4.208 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.281 14.258 2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.384 14.950 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.908 16.822 2.604 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.738 18.096 2.245 1.00 0.00 H new ATOM 336 N ILE A 26 -0.485 11.287 3.253 1.00 0.00 N ATOM 337 CA ILE A 26 -0.380 10.400 2.101 1.00 0.00 C ATOM 338 C ILE A 26 0.078 11.161 0.861 1.00 0.00 C ATOM 339 O ILE A 26 -0.610 12.062 0.384 1.00 0.00 O ATOM 340 CB ILE A 26 -1.722 9.709 1.798 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.186 8.895 3.008 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.595 8.818 0.571 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.512 8.198 2.796 1.00 0.00 C ATOM 0 H ILE A 26 -1.379 11.241 3.741 1.00 0.00 H new ATOM 0 HA ILE A 26 0.361 9.642 2.354 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.469 10.475 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.427 8.150 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.266 9.556 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.552 8.337 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.305 9.422 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.837 8.056 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.778 7.641 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.283 8.939 2.587 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.431 7.511 1.953 1.00 0.00 H new ATOM 355 N GLY A 27 1.245 10.790 0.343 1.00 0.00 N ATOM 356 CA GLY A 27 1.775 11.447 -0.838 1.00 0.00 C ATOM 357 C GLY A 27 1.072 11.010 -2.108 1.00 0.00 C ATOM 358 O GLY A 27 -0.139 10.787 -2.111 1.00 0.00 O ATOM 0 H GLY A 27 1.833 10.046 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.676 12.527 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.840 11.231 -0.923 1.00 0.00 H new ATOM 362 N LEU A 28 1.832 10.889 -3.191 1.00 0.00 N ATOM 363 CA LEU A 28 1.275 10.478 -4.475 1.00 0.00 C ATOM 364 C LEU A 28 1.709 9.059 -4.828 1.00 0.00 C ATOM 365 O LEU A 28 2.559 8.473 -4.157 1.00 0.00 O ATOM 366 CB LEU A 28 1.711 11.446 -5.576 1.00 0.00 C ATOM 367 CG LEU A 28 1.212 12.885 -5.440 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.800 13.759 -6.537 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.308 12.929 -5.478 1.00 0.00 C ATOM 0 H LEU A 28 2.836 11.070 -3.205 1.00 0.00 H new ATOM 0 HA LEU A 28 0.188 10.496 -4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.800 11.462 -5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.370 11.053 -6.534 1.00 0.00 H new ATOM 0 HG LEU A 28 1.542 13.274 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.434 14.780 -6.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.887 13.753 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.501 13.371 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.645 13.961 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.660 12.521 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.710 12.337 -4.656 1.00 0.00 H new ATOM 381 N THR A 29 1.122 8.512 -5.888 1.00 0.00 N ATOM 382 CA THR A 29 1.449 7.163 -6.331 1.00 0.00 C ATOM 383 C THR A 29 2.683 7.162 -7.226 1.00 0.00 C ATOM 384 O THR A 29 3.191 8.219 -7.601 1.00 0.00 O ATOM 385 CB THR A 29 0.274 6.522 -7.095 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.135 7.375 -8.169 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.902 6.270 -6.164 1.00 0.00 C ATOM 0 H THR A 29 0.417 8.983 -6.456 1.00 0.00 H new ATOM 0 HA THR A 29 1.653 6.577 -5.435 1.00 0.00 H new ATOM 0 HB THR A 29 0.609 5.566 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.580 8.169 -7.805 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.720 5.817 -6.725 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.595 5.597 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.236 7.215 -5.735 1.00 0.00 H new ATOM 395 N VAL A 30 3.160 5.969 -7.568 1.00 0.00 N ATOM 396 CA VAL A 30 4.334 5.831 -8.422 1.00 0.00 C ATOM 397 C VAL A 30 4.218 6.711 -9.661 1.00 0.00 C ATOM 398 O VAL A 30 5.216 7.233 -10.158 1.00 0.00 O ATOM 399 CB VAL A 30 4.539 4.369 -8.861 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.768 4.246 -9.749 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.656 3.460 -7.647 1.00 0.00 C ATOM 0 H VAL A 30 2.751 5.084 -7.267 1.00 0.00 H new ATOM 0 HA VAL A 30 5.194 6.150 -7.833 1.00 0.00 H new ATOM 0 HB VAL A 30 3.669 4.056 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.897 3.206 -10.050 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.640 4.867 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.649 4.577 -9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.800 2.431 -7.976 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.507 3.770 -7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.744 3.527 -7.053 1.00 0.00 H new ATOM 411 N GLU A 31 2.995 6.872 -10.154 1.00 0.00 N ATOM 412 CA GLU A 31 2.749 7.690 -11.336 1.00 0.00 C ATOM 413 C GLU A 31 2.463 9.137 -10.947 1.00 0.00 C ATOM 414 O GLU A 31 3.047 10.068 -11.502 1.00 0.00 O ATOM 415 CB GLU A 31 1.577 7.125 -12.140 1.00 0.00 C ATOM 416 CG GLU A 31 1.794 5.698 -12.614 1.00 0.00 C ATOM 417 CD GLU A 31 3.184 5.476 -13.178 1.00 0.00 C ATOM 418 OE1 GLU A 31 3.376 5.710 -14.390 1.00 0.00 O ATOM 419 OE2 GLU A 31 4.080 5.069 -12.410 1.00 0.00 O ATOM 0 H GLU A 31 2.159 6.447 -9.754 1.00 0.00 H new ATOM 0 HA GLU A 31 3.647 7.669 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.676 7.162 -11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.400 7.763 -13.006 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.630 5.014 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.054 5.456 -13.376 1.00 0.00 H new ATOM 426 N GLY A 32 1.559 9.319 -9.989 1.00 0.00 N ATOM 427 CA GLY A 32 1.210 10.655 -9.542 1.00 0.00 C ATOM 428 C GLY A 32 -0.140 10.702 -8.854 1.00 0.00 C ATOM 429 O GLY A 32 -0.335 11.464 -7.907 1.00 0.00 O ATOM 0 H GLY A 32 1.062 8.565 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.976 11.017 -8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.202 11.331 -10.397 1.00 0.00 H new ATOM 433 N ASP A 33 -1.074 9.886 -9.331 1.00 0.00 N ATOM 434 CA ASP A 33 -2.413 9.838 -8.756 1.00 0.00 C ATOM 435 C ASP A 33 -2.348 9.740 -7.235 1.00 0.00 C ATOM 436 O ASP A 33 -1.303 9.419 -6.667 1.00 0.00 O ATOM 437 CB ASP A 33 -3.192 8.651 -9.324 1.00 0.00 C ATOM 438 CG ASP A 33 -3.407 8.761 -10.820 1.00 0.00 C ATOM 439 OD1 ASP A 33 -3.574 9.896 -11.313 1.00 0.00 O ATOM 440 OD2 ASP A 33 -3.408 7.712 -11.499 1.00 0.00 O ATOM 0 H ASP A 33 -0.928 9.249 -10.114 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.929 10.761 -9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.654 7.729 -9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.159 8.583 -8.825 1.00 0.00 H new ATOM 445 N LEU A 34 -3.470 10.018 -6.581 1.00 0.00 N ATOM 446 CA LEU A 34 -3.541 9.962 -5.125 1.00 0.00 C ATOM 447 C LEU A 34 -3.449 8.522 -4.630 1.00 0.00 C ATOM 448 O LEU A 34 -4.192 7.651 -5.082 1.00 0.00 O ATOM 449 CB LEU A 34 -4.842 10.600 -4.633 1.00 0.00 C ATOM 450 CG LEU A 34 -4.947 10.833 -3.126 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.903 9.510 -2.377 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.834 11.754 -2.649 1.00 0.00 C ATOM 0 H LEU A 34 -4.343 10.285 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.695 10.520 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.967 11.558 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.673 9.966 -4.941 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.903 11.314 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.979 9.696 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.735 8.883 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.963 9.002 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.925 11.908 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.867 11.301 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.911 12.713 -3.161 1.00 0.00 H new ATOM 464 N PHE A 35 -2.534 8.280 -3.698 1.00 0.00 N ATOM 465 CA PHE A 35 -2.345 6.945 -3.141 1.00 0.00 C ATOM 466 C PHE A 35 -3.423 6.630 -2.108 1.00 0.00 C ATOM 467 O PHE A 35 -3.317 7.019 -0.944 1.00 0.00 O ATOM 468 CB PHE A 35 -0.960 6.828 -2.501 1.00 0.00 C ATOM 469 CG PHE A 35 -0.643 5.445 -2.007 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.168 4.477 -2.877 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.819 5.114 -0.673 1.00 0.00 C ATOM 472 CE1 PHE A 35 0.123 3.204 -2.425 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.528 3.843 -0.216 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.056 2.887 -1.093 1.00 0.00 C ATOM 0 H PHE A 35 -1.912 8.990 -3.312 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.424 6.224 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.206 7.127 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.893 7.527 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.024 4.720 -3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.188 5.858 0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.490 2.457 -3.113 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.670 3.598 0.826 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.173 1.893 -0.738 1.00 0.00 H new ATOM 484 N VAL A 36 -4.462 5.924 -2.542 1.00 0.00 N ATOM 485 CA VAL A 36 -5.560 5.555 -1.656 1.00 0.00 C ATOM 486 C VAL A 36 -5.565 4.055 -1.382 1.00 0.00 C ATOM 487 O VAL A 36 -6.312 3.303 -2.006 1.00 0.00 O ATOM 488 CB VAL A 36 -6.921 5.962 -2.251 1.00 0.00 C ATOM 489 CG1 VAL A 36 -7.025 5.515 -3.701 1.00 0.00 C ATOM 490 CG2 VAL A 36 -8.058 5.382 -1.423 1.00 0.00 C ATOM 0 H VAL A 36 -4.567 5.596 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.406 6.091 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.000 7.049 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.993 5.811 -4.105 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.231 5.982 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.926 4.431 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.013 5.679 -1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.985 4.294 -1.416 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.992 5.756 -0.401 1.00 0.00 H new ATOM 500 N ALA A 37 -4.726 3.628 -0.444 1.00 0.00 N ATOM 501 CA ALA A 37 -4.635 2.219 -0.085 1.00 0.00 C ATOM 502 C ALA A 37 -5.982 1.522 -0.251 1.00 0.00 C ATOM 503 O ALA A 37 -6.152 0.679 -1.132 1.00 0.00 O ATOM 504 CB ALA A 37 -4.134 2.069 1.344 1.00 0.00 C ATOM 0 H ALA A 37 -4.100 4.238 0.081 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.923 1.743 -0.760 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.071 1.011 1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.147 2.523 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.825 2.566 2.026 1.00 0.00 H new ATOM 510 N CYS A 38 -6.937 1.879 0.601 1.00 0.00 N ATOM 511 CA CYS A 38 -8.268 1.288 0.550 1.00 0.00 C ATOM 512 C CYS A 38 -9.273 2.263 -0.058 1.00 0.00 C ATOM 513 O CYS A 38 -9.292 3.444 0.284 1.00 0.00 O ATOM 514 CB CYS A 38 -8.722 0.881 1.954 1.00 0.00 C ATOM 515 SG CYS A 38 -10.000 -0.417 1.974 1.00 0.00 S ATOM 0 H CYS A 38 -6.813 2.576 1.336 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.221 0.401 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.856 0.533 2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.105 1.761 2.470 1.00 0.00 H new ATOM 520 N ASN A 39 -10.106 1.757 -0.962 1.00 0.00 N ATOM 521 CA ASN A 39 -11.113 2.582 -1.619 1.00 0.00 C ATOM 522 C ASN A 39 -12.518 2.164 -1.197 1.00 0.00 C ATOM 523 O ASN A 39 -13.398 3.005 -1.017 1.00 0.00 O ATOM 524 CB ASN A 39 -10.974 2.480 -3.139 1.00 0.00 C ATOM 525 CG ASN A 39 -11.828 3.500 -3.868 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.045 3.349 -3.967 1.00 0.00 O ATOM 527 ND2 ASN A 39 -11.191 4.546 -4.382 1.00 0.00 N ATOM 0 H ASN A 39 -10.103 0.780 -1.256 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.954 3.617 -1.315 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.929 2.621 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.257 1.478 -3.460 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.713 5.265 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.180 4.630 -4.276 1.00 0.00 H new ATOM 534 N GLU A 40 -12.720 0.860 -1.040 1.00 0.00 N ATOM 535 CA GLU A 40 -14.018 0.331 -0.639 1.00 0.00 C ATOM 536 C GLU A 40 -14.587 1.118 0.538 1.00 0.00 C ATOM 537 O GLU A 40 -15.604 1.801 0.410 1.00 0.00 O ATOM 538 CB GLU A 40 -13.898 -1.148 -0.266 1.00 0.00 C ATOM 539 CG GLU A 40 -15.143 -1.712 0.398 1.00 0.00 C ATOM 540 CD GLU A 40 -16.421 -1.274 -0.291 1.00 0.00 C ATOM 541 OE1 GLU A 40 -16.568 -1.551 -1.499 1.00 0.00 O ATOM 542 OE2 GLU A 40 -17.274 -0.653 0.378 1.00 0.00 O ATOM 0 H GLU A 40 -12.002 0.150 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.699 0.432 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.684 -1.725 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.049 -1.277 0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.089 -2.801 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.170 -1.395 1.440 1.00 0.00 H new ATOM 549 N CYS A 41 -13.923 1.018 1.685 1.00 0.00 N ATOM 550 CA CYS A 41 -14.361 1.719 2.886 1.00 0.00 C ATOM 551 C CYS A 41 -13.851 3.158 2.893 1.00 0.00 C ATOM 552 O CYS A 41 -14.567 4.080 3.281 1.00 0.00 O ATOM 553 CB CYS A 41 -13.870 0.987 4.137 1.00 0.00 C ATOM 554 SG CYS A 41 -12.194 1.464 4.668 1.00 0.00 S ATOM 0 H CYS A 41 -13.079 0.458 1.808 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.451 1.738 2.888 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.566 1.178 4.953 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.888 -0.086 3.947 1.00 0.00 H new ATOM 559 N GLY A 42 -12.607 3.341 2.459 1.00 0.00 N ATOM 560 CA GLY A 42 -12.023 4.669 2.423 1.00 0.00 C ATOM 561 C GLY A 42 -11.036 4.899 3.550 1.00 0.00 C ATOM 562 O GLY A 42 -10.956 5.998 4.100 1.00 0.00 O ATOM 0 H GLY A 42 -11.994 2.594 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.519 4.815 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.817 5.413 2.482 1.00 0.00 H new ATOM 566 N PHE A 43 -10.284 3.860 3.897 1.00 0.00 N ATOM 567 CA PHE A 43 -9.299 3.953 4.969 1.00 0.00 C ATOM 568 C PHE A 43 -7.996 4.561 4.459 1.00 0.00 C ATOM 569 O PHE A 43 -7.288 3.976 3.638 1.00 0.00 O ATOM 570 CB PHE A 43 -9.031 2.570 5.566 1.00 0.00 C ATOM 571 CG PHE A 43 -8.152 2.603 6.783 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.429 3.466 7.831 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.049 1.770 6.880 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.621 3.498 8.952 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.238 1.797 7.999 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.525 2.662 9.036 1.00 0.00 C ATOM 0 H PHE A 43 -10.338 2.944 3.452 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.703 4.603 5.745 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.982 2.105 5.827 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.565 1.940 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.286 4.121 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.820 1.091 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.847 4.176 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.381 1.142 8.062 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.893 2.685 9.912 1.00 0.00 H new ATOM 586 N PRO A 44 -7.670 5.763 4.956 1.00 0.00 N ATOM 587 CA PRO A 44 -6.450 6.477 4.565 1.00 0.00 C ATOM 588 C PRO A 44 -5.190 5.806 5.099 1.00 0.00 C ATOM 589 O PRO A 44 -4.909 5.854 6.296 1.00 0.00 O ATOM 590 CB PRO A 44 -6.630 7.859 5.198 1.00 0.00 C ATOM 591 CG PRO A 44 -7.543 7.630 6.353 1.00 0.00 C ATOM 592 CD PRO A 44 -8.466 6.518 5.937 1.00 0.00 C ATOM 0 HA PRO A 44 -6.321 6.502 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.676 8.273 5.524 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.059 8.567 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.981 7.357 7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.104 8.534 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.754 5.896 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.386 6.903 5.497 1.00 0.00 H new ATOM 600 N ALA A 45 -4.433 5.180 4.203 1.00 0.00 N ATOM 601 CA ALA A 45 -3.201 4.502 4.584 1.00 0.00 C ATOM 602 C ALA A 45 -2.073 4.824 3.610 1.00 0.00 C ATOM 603 O ALA A 45 -2.137 4.474 2.431 1.00 0.00 O ATOM 604 CB ALA A 45 -3.426 2.999 4.654 1.00 0.00 C ATOM 0 H ALA A 45 -4.652 5.129 3.208 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.908 4.862 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.497 2.505 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.196 2.780 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.746 2.633 3.678 1.00 0.00 H new ATOM 610 N CYS A 46 -1.040 5.495 4.109 1.00 0.00 N ATOM 611 CA CYS A 46 0.103 5.867 3.283 1.00 0.00 C ATOM 612 C CYS A 46 0.725 4.636 2.631 1.00 0.00 C ATOM 613 O CYS A 46 0.253 3.515 2.819 1.00 0.00 O ATOM 614 CB CYS A 46 1.151 6.596 4.126 1.00 0.00 C ATOM 615 SG CYS A 46 1.768 5.634 5.544 1.00 0.00 S ATOM 0 H CYS A 46 -0.971 5.792 5.082 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.249 6.534 2.496 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.993 6.862 3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.722 7.528 4.493 1.00 0.00 H new ATOM 620 N ARG A 47 1.788 4.854 1.864 1.00 0.00 N ATOM 621 CA ARG A 47 2.476 3.763 1.182 1.00 0.00 C ATOM 622 C ARG A 47 3.171 2.848 2.186 1.00 0.00 C ATOM 623 O ARG A 47 3.006 1.628 2.168 1.00 0.00 O ATOM 624 CB ARG A 47 3.498 4.318 0.188 1.00 0.00 C ATOM 625 CG ARG A 47 3.900 3.324 -0.889 1.00 0.00 C ATOM 626 CD ARG A 47 4.322 4.030 -2.168 1.00 0.00 C ATOM 627 NE ARG A 47 5.405 4.982 -1.937 1.00 0.00 N ATOM 628 CZ ARG A 47 5.699 5.977 -2.767 1.00 0.00 C ATOM 629 NH1 ARG A 47 4.994 6.149 -3.877 1.00 0.00 N ATOM 630 NH2 ARG A 47 6.699 6.802 -2.487 1.00 0.00 N ATOM 0 H ARG A 47 2.192 5.776 1.699 1.00 0.00 H new ATOM 0 HA ARG A 47 1.732 3.180 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.085 5.208 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.389 4.631 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.720 2.705 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.065 2.656 -1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.641 3.290 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.465 4.552 -2.593 1.00 0.00 H new ATOM 0 HE ARG A 47 5.967 4.877 -1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.224 5.517 -4.095 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.222 6.914 -4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.243 6.673 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.924 7.566 -3.125 1.00 0.00 H new ATOM 644 N PRO A 48 3.968 3.448 3.082 1.00 0.00 N ATOM 645 CA PRO A 48 4.704 2.706 4.109 1.00 0.00 C ATOM 646 C PRO A 48 3.783 2.122 5.175 1.00 0.00 C ATOM 647 O PRO A 48 4.235 1.711 6.244 1.00 0.00 O ATOM 648 CB PRO A 48 5.625 3.765 4.720 1.00 0.00 C ATOM 649 CG PRO A 48 4.931 5.060 4.471 1.00 0.00 C ATOM 650 CD PRO A 48 4.212 4.898 3.161 1.00 0.00 C ATOM 0 HA PRO A 48 5.234 1.850 3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.773 3.594 5.786 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.611 3.748 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.231 5.289 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.644 5.883 4.426 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.281 5.464 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.816 5.250 2.325 1.00 0.00 H new ATOM 658 N CYS A 49 2.489 2.088 4.877 1.00 0.00 N ATOM 659 CA CYS A 49 1.503 1.554 5.808 1.00 0.00 C ATOM 660 C CYS A 49 0.708 0.419 5.168 1.00 0.00 C ATOM 661 O CYS A 49 0.415 -0.588 5.813 1.00 0.00 O ATOM 662 CB CYS A 49 0.552 2.661 6.268 1.00 0.00 C ATOM 663 SG CYS A 49 1.069 3.495 7.803 1.00 0.00 S ATOM 0 H CYS A 49 2.098 2.424 3.997 1.00 0.00 H new ATOM 0 HA CYS A 49 2.035 1.158 6.673 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.466 3.404 5.475 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.440 2.235 6.415 1.00 0.00 H new ATOM 668 N TYR A 50 0.363 0.590 3.897 1.00 0.00 N ATOM 669 CA TYR A 50 -0.400 -0.417 3.170 1.00 0.00 C ATOM 670 C TYR A 50 0.506 -1.550 2.696 1.00 0.00 C ATOM 671 O TYR A 50 0.261 -2.719 2.989 1.00 0.00 O ATOM 672 CB TYR A 50 -1.112 0.216 1.974 1.00 0.00 C ATOM 673 CG TYR A 50 -1.656 -0.794 0.988 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.865 -1.281 -0.045 1.00 0.00 C ATOM 675 CD2 TYR A 50 -2.960 -1.261 1.091 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.358 -2.203 -0.948 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.461 -2.184 0.194 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.657 -2.651 -0.824 1.00 0.00 C ATOM 679 OH TYR A 50 -3.152 -3.571 -1.720 1.00 0.00 O ATOM 0 H TYR A 50 0.600 1.417 3.349 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.145 -0.831 3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.932 0.835 2.337 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.417 0.878 1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.153 -0.933 -0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.593 -0.896 1.886 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.730 -2.571 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.477 -2.538 0.289 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.678 -3.484 -2.573 1.00 0.00 H new ATOM 689 N GLU A 51 1.555 -1.191 1.962 1.00 0.00 N ATOM 690 CA GLU A 51 2.498 -2.177 1.447 1.00 0.00 C ATOM 691 C GLU A 51 2.904 -3.164 2.538 1.00 0.00 C ATOM 692 O GLU A 51 2.704 -4.371 2.403 1.00 0.00 O ATOM 693 CB GLU A 51 3.740 -1.482 0.885 1.00 0.00 C ATOM 694 CG GLU A 51 3.578 -1.010 -0.550 1.00 0.00 C ATOM 695 CD GLU A 51 2.347 -0.146 -0.744 1.00 0.00 C ATOM 696 OE1 GLU A 51 2.013 0.627 0.177 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.718 -0.244 -1.819 1.00 0.00 O ATOM 0 H GLU A 51 1.773 -0.227 1.711 1.00 0.00 H new ATOM 0 HA GLU A 51 2.006 -2.729 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.983 -0.626 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.585 -2.168 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.463 -0.447 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.517 -1.876 -1.209 1.00 0.00 H new ATOM 704 N TYR A 52 3.475 -2.641 3.617 1.00 0.00 N ATOM 705 CA TYR A 52 3.911 -3.476 4.731 1.00 0.00 C ATOM 706 C TYR A 52 2.796 -4.416 5.177 1.00 0.00 C ATOM 707 O TYR A 52 3.016 -5.612 5.364 1.00 0.00 O ATOM 708 CB TYR A 52 4.359 -2.603 5.904 1.00 0.00 C ATOM 709 CG TYR A 52 4.299 -3.309 7.240 1.00 0.00 C ATOM 710 CD1 TYR A 52 5.288 -4.209 7.618 1.00 0.00 C ATOM 711 CD2 TYR A 52 3.254 -3.074 8.126 1.00 0.00 C ATOM 712 CE1 TYR A 52 5.236 -4.856 8.837 1.00 0.00 C ATOM 713 CE2 TYR A 52 3.196 -3.715 9.348 1.00 0.00 C ATOM 714 CZ TYR A 52 4.189 -4.606 9.699 1.00 0.00 C ATOM 715 OH TYR A 52 4.135 -5.248 10.915 1.00 0.00 O ATOM 0 H TYR A 52 3.647 -1.644 3.744 1.00 0.00 H new ATOM 0 HA TYR A 52 4.754 -4.079 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.380 -2.266 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.732 -1.713 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.111 -4.406 6.947 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.474 -2.378 7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.012 -5.555 9.114 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.378 -3.520 10.025 1.00 0.00 H new ATOM 0 HH TYR A 52 3.335 -4.959 11.402 1.00 0.00 H new ATOM 725 N GLU A 53 1.598 -3.864 5.345 1.00 0.00 N ATOM 726 CA GLU A 53 0.448 -4.653 5.770 1.00 0.00 C ATOM 727 C GLU A 53 0.357 -5.954 4.977 1.00 0.00 C ATOM 728 O GLU A 53 -0.102 -6.975 5.490 1.00 0.00 O ATOM 729 CB GLU A 53 -0.842 -3.848 5.598 1.00 0.00 C ATOM 730 CG GLU A 53 -1.950 -4.264 6.551 1.00 0.00 C ATOM 731 CD GLU A 53 -1.783 -3.668 7.936 1.00 0.00 C ATOM 732 OE1 GLU A 53 -0.720 -3.893 8.553 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.713 -2.979 8.403 1.00 0.00 O ATOM 0 H GLU A 53 1.399 -2.875 5.193 1.00 0.00 H new ATOM 0 HA GLU A 53 0.578 -4.898 6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.623 -2.791 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.195 -3.958 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.912 -3.956 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.969 -5.351 6.627 1.00 0.00 H new ATOM 740 N ARG A 54 0.799 -5.909 3.724 1.00 0.00 N ATOM 741 CA ARG A 54 0.766 -7.082 2.860 1.00 0.00 C ATOM 742 C ARG A 54 2.046 -7.901 3.006 1.00 0.00 C ATOM 743 O ARG A 54 2.050 -9.111 2.778 1.00 0.00 O ATOM 744 CB ARG A 54 0.581 -6.662 1.401 1.00 0.00 C ATOM 745 CG ARG A 54 -0.874 -6.506 0.992 1.00 0.00 C ATOM 746 CD ARG A 54 -1.047 -6.634 -0.514 1.00 0.00 C ATOM 747 NE ARG A 54 -1.276 -8.017 -0.923 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.997 -8.480 -2.136 1.00 0.00 C ATOM 749 NH1 ARG A 54 -0.481 -7.675 -3.055 1.00 0.00 N ATOM 750 NH2 ARG A 54 -1.233 -9.752 -2.433 1.00 0.00 N ATOM 0 H ARG A 54 1.184 -5.073 3.285 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.078 -7.701 3.163 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.099 -5.718 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.054 -7.403 0.756 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.477 -7.262 1.494 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.243 -5.534 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.886 -6.017 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.158 -6.250 -1.015 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.672 -8.663 -0.240 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.297 -6.697 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.268 -8.034 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.629 -10.375 -1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -1.018 -10.106 -3.365 1.00 0.00 H new ATOM 764 N ARG A 55 3.129 -7.232 3.388 1.00 0.00 N ATOM 765 CA ARG A 55 4.415 -7.897 3.563 1.00 0.00 C ATOM 766 C ARG A 55 4.415 -8.758 4.823 1.00 0.00 C ATOM 767 O ARG A 55 4.483 -9.985 4.747 1.00 0.00 O ATOM 768 CB ARG A 55 5.541 -6.865 3.639 1.00 0.00 C ATOM 769 CG ARG A 55 6.900 -7.414 3.236 1.00 0.00 C ATOM 770 CD ARG A 55 7.630 -8.020 4.424 1.00 0.00 C ATOM 771 NE ARG A 55 8.911 -8.607 4.039 1.00 0.00 N ATOM 772 CZ ARG A 55 9.925 -8.774 4.879 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.810 -8.401 6.146 1.00 0.00 N ATOM 774 NH2 ARG A 55 11.059 -9.316 4.453 1.00 0.00 N ATOM 0 H ARG A 55 3.142 -6.231 3.582 1.00 0.00 H new ATOM 0 HA ARG A 55 4.581 -8.543 2.701 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.294 -6.022 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.602 -6.480 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.773 -8.170 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.504 -6.615 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.796 -7.251 5.178 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.004 -8.786 4.882 1.00 0.00 H new ATOM 0 HE ARG A 55 9.033 -8.905 3.071 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.940 -7.984 6.478 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.591 -8.531 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.152 -9.605 3.479 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.838 -9.444 5.099 1.00 0.00 H new ATOM 788 N GLU A 56 4.337 -8.107 5.979 1.00 0.00 N ATOM 789 CA GLU A 56 4.330 -8.814 7.254 1.00 0.00 C ATOM 790 C GLU A 56 2.954 -8.738 7.910 1.00 0.00 C ATOM 791 O GLU A 56 2.609 -9.566 8.753 1.00 0.00 O ATOM 792 CB GLU A 56 5.387 -8.229 8.193 1.00 0.00 C ATOM 793 CG GLU A 56 6.793 -8.734 7.917 1.00 0.00 C ATOM 794 CD GLU A 56 7.713 -8.582 9.112 1.00 0.00 C ATOM 795 OE1 GLU A 56 7.851 -7.446 9.613 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.296 -9.597 9.547 1.00 0.00 O ATOM 0 H GLU A 56 4.278 -7.092 6.059 1.00 0.00 H new ATOM 0 HA GLU A 56 4.565 -9.861 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.377 -7.143 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.119 -8.469 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.748 -9.784 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.211 -8.190 7.070 1.00 0.00 H new ATOM 803 N GLY A 57 2.171 -7.738 7.516 1.00 0.00 N ATOM 804 CA GLY A 57 0.842 -7.572 8.075 1.00 0.00 C ATOM 805 C GLY A 57 -0.040 -8.783 7.845 1.00 0.00 C ATOM 806 O GLY A 57 0.455 -9.883 7.597 1.00 0.00 O ATOM 0 H GLY A 57 2.433 -7.040 6.820 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.923 -7.383 9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.372 -6.694 7.631 1.00 0.00 H new ATOM 810 N THR A 58 -1.352 -8.582 7.927 1.00 0.00 N ATOM 811 CA THR A 58 -2.305 -9.667 7.729 1.00 0.00 C ATOM 812 C THR A 58 -3.022 -9.531 6.391 1.00 0.00 C ATOM 813 O THR A 58 -3.833 -10.380 6.022 1.00 0.00 O ATOM 814 CB THR A 58 -3.352 -9.709 8.858 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.155 -8.524 8.824 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.678 -9.833 10.216 1.00 0.00 C ATOM 0 H THR A 58 -1.778 -7.678 8.129 1.00 0.00 H new ATOM 0 HA THR A 58 -1.734 -10.595 7.739 1.00 0.00 H new ATOM 0 HB THR A 58 -3.986 -10.582 8.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.637 -8.431 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.437 -9.861 10.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.090 -10.750 10.248 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.023 -8.977 10.377 1.00 0.00 H new ATOM 824 N GLN A 59 -2.718 -8.458 5.668 1.00 0.00 N ATOM 825 CA GLN A 59 -3.334 -8.211 4.370 1.00 0.00 C ATOM 826 C GLN A 59 -4.833 -7.969 4.517 1.00 0.00 C ATOM 827 O GLN A 59 -5.626 -8.395 3.678 1.00 0.00 O ATOM 828 CB GLN A 59 -3.087 -9.394 3.431 1.00 0.00 C ATOM 829 CG GLN A 59 -1.632 -9.832 3.376 1.00 0.00 C ATOM 830 CD GLN A 59 -1.480 -11.316 3.106 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.432 -11.987 2.705 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.278 -11.837 3.324 1.00 0.00 N ATOM 0 H GLN A 59 -2.049 -7.746 5.959 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.879 -7.317 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.700 -10.236 3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.415 -9.125 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.116 -9.270 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.147 -9.587 4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.482 -11.244 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.115 -12.830 3.159 1.00 0.00 H new ATOM 841 N ASN A 60 -5.214 -7.281 5.589 1.00 0.00 N ATOM 842 CA ASN A 60 -6.618 -6.983 5.846 1.00 0.00 C ATOM 843 C ASN A 60 -6.779 -5.579 6.422 1.00 0.00 C ATOM 844 O ASN A 60 -6.167 -5.238 7.434 1.00 0.00 O ATOM 845 CB ASN A 60 -7.212 -8.013 6.809 1.00 0.00 C ATOM 846 CG ASN A 60 -6.600 -9.389 6.632 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.741 -10.013 5.580 1.00 0.00 O ATOM 848 ND2 ASN A 60 -5.917 -9.870 7.665 1.00 0.00 N ATOM 0 H ASN A 60 -4.570 -6.920 6.293 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.154 -7.031 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.058 -7.679 7.835 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.289 -8.074 6.652 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.484 -10.792 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.826 -9.318 8.518 1.00 0.00 H new ATOM 855 N CYS A 61 -7.607 -4.770 5.771 1.00 0.00 N ATOM 856 CA CYS A 61 -7.850 -3.403 6.217 1.00 0.00 C ATOM 857 C CYS A 61 -8.335 -3.381 7.663 1.00 0.00 C ATOM 858 O CYS A 61 -9.346 -3.991 8.015 1.00 0.00 O ATOM 859 CB CYS A 61 -8.880 -2.724 5.312 1.00 0.00 C ATOM 860 SG CYS A 61 -9.245 -0.998 5.766 1.00 0.00 S ATOM 0 H CYS A 61 -8.122 -5.037 4.932 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.909 -2.856 6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.518 -2.749 4.284 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.806 -3.299 5.338 1.00 0.00 H new ATOM 865 N PRO A 62 -7.599 -2.662 8.524 1.00 0.00 N ATOM 866 CA PRO A 62 -7.935 -2.543 9.946 1.00 0.00 C ATOM 867 C PRO A 62 -9.193 -1.712 10.176 1.00 0.00 C ATOM 868 O PRO A 62 -9.559 -1.429 11.316 1.00 0.00 O ATOM 869 CB PRO A 62 -6.713 -1.839 10.541 1.00 0.00 C ATOM 870 CG PRO A 62 -6.119 -1.083 9.402 1.00 0.00 C ATOM 871 CD PRO A 62 -6.382 -1.911 8.174 1.00 0.00 C ATOM 0 HA PRO A 62 -8.148 -3.512 10.398 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.998 -1.171 11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -6.004 -2.557 10.952 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.571 -0.095 9.311 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.050 -0.932 9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.534 -1.287 7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.548 -2.577 7.952 1.00 0.00 H new ATOM 879 N GLN A 63 -9.849 -1.326 9.087 1.00 0.00 N ATOM 880 CA GLN A 63 -11.066 -0.528 9.172 1.00 0.00 C ATOM 881 C GLN A 63 -12.260 -1.294 8.612 1.00 0.00 C ATOM 882 O GLN A 63 -13.356 -1.254 9.174 1.00 0.00 O ATOM 883 CB GLN A 63 -10.891 0.790 8.416 1.00 0.00 C ATOM 884 CG GLN A 63 -12.186 1.565 8.235 1.00 0.00 C ATOM 885 CD GLN A 63 -11.969 3.065 8.198 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.404 3.645 9.125 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.417 3.702 7.122 1.00 0.00 N ATOM 0 H GLN A 63 -9.558 -1.553 8.136 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.256 -0.313 10.224 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.176 1.414 8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.462 0.583 7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.668 1.249 7.310 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.868 1.320 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.880 3.181 6.377 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.298 4.712 7.041 1.00 0.00 H new ATOM 896 N CYS A 64 -12.042 -1.992 7.503 1.00 0.00 N ATOM 897 CA CYS A 64 -13.099 -2.767 6.866 1.00 0.00 C ATOM 898 C CYS A 64 -12.674 -4.222 6.685 1.00 0.00 C ATOM 899 O CYS A 64 -13.506 -5.101 6.461 1.00 0.00 O ATOM 900 CB CYS A 64 -13.461 -2.158 5.510 1.00 0.00 C ATOM 901 SG CYS A 64 -12.131 -2.260 4.270 1.00 0.00 S ATOM 0 H CYS A 64 -11.141 -2.037 7.026 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.975 -2.740 7.514 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.345 -2.663 5.121 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.729 -1.111 5.654 1.00 0.00 H new ATOM 906 N LYS A 65 -11.372 -4.468 6.784 1.00 0.00 N ATOM 907 CA LYS A 65 -10.834 -5.815 6.633 1.00 0.00 C ATOM 908 C LYS A 65 -11.280 -6.434 5.312 1.00 0.00 C ATOM 909 O LYS A 65 -11.809 -7.545 5.283 1.00 0.00 O ATOM 910 CB LYS A 65 -11.281 -6.698 7.800 1.00 0.00 C ATOM 911 CG LYS A 65 -11.011 -6.087 9.164 1.00 0.00 C ATOM 912 CD LYS A 65 -9.604 -6.399 9.646 1.00 0.00 C ATOM 913 CE LYS A 65 -9.408 -5.990 11.097 1.00 0.00 C ATOM 914 NZ LYS A 65 -8.046 -6.333 11.592 1.00 0.00 N ATOM 0 H LYS A 65 -10.669 -3.752 6.968 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.746 -5.747 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.348 -6.897 7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.770 -7.659 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.148 -5.007 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.736 -6.467 9.884 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.410 -7.466 9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.880 -5.878 9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.571 -4.917 11.197 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.155 -6.485 11.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.953 -6.038 12.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.899 -7.360 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.333 -5.841 11.016 1.00 0.00 H new ATOM 928 N THR A 66 -11.061 -5.708 4.220 1.00 0.00 N ATOM 929 CA THR A 66 -11.440 -6.187 2.896 1.00 0.00 C ATOM 930 C THR A 66 -10.243 -6.780 2.162 1.00 0.00 C ATOM 931 O THR A 66 -9.095 -6.549 2.540 1.00 0.00 O ATOM 932 CB THR A 66 -12.043 -5.056 2.041 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.134 -4.444 2.738 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.525 -5.589 0.701 1.00 0.00 C ATOM 0 H THR A 66 -10.623 -4.787 4.226 1.00 0.00 H new ATOM 0 HA THR A 66 -12.192 -6.962 3.044 1.00 0.00 H new ATOM 0 HB THR A 66 -11.266 -4.313 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.941 -3.493 2.877 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.947 -4.772 0.115 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.686 -6.028 0.161 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.288 -6.350 0.865 1.00 0.00 H new ATOM 942 N ARG A 67 -10.519 -7.546 1.112 1.00 0.00 N ATOM 943 CA ARG A 67 -9.464 -8.174 0.325 1.00 0.00 C ATOM 944 C ARG A 67 -8.576 -7.121 -0.330 1.00 0.00 C ATOM 945 O ARG A 67 -9.063 -6.222 -1.017 1.00 0.00 O ATOM 946 CB ARG A 67 -10.069 -9.084 -0.745 1.00 0.00 C ATOM 947 CG ARG A 67 -11.062 -8.378 -1.655 1.00 0.00 C ATOM 948 CD ARG A 67 -11.422 -9.235 -2.858 1.00 0.00 C ATOM 949 NE ARG A 67 -12.521 -8.662 -3.630 1.00 0.00 N ATOM 950 CZ ARG A 67 -13.272 -9.362 -4.472 1.00 0.00 C ATOM 951 NH1 ARG A 67 -13.044 -10.656 -4.649 1.00 0.00 N ATOM 952 NH2 ARG A 67 -14.254 -8.769 -5.138 1.00 0.00 N ATOM 0 H ARG A 67 -11.464 -7.747 0.786 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.851 -8.774 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.265 -9.501 -1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.568 -9.922 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.965 -8.139 -1.094 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.638 -7.433 -1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.547 -9.345 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.698 -10.234 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.723 -7.669 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.290 -11.116 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.622 -11.192 -5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.433 -7.774 -5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.830 -9.308 -5.784 1.00 0.00 H new ATOM 966 N TYR A 68 -7.271 -7.237 -0.113 1.00 0.00 N ATOM 967 CA TYR A 68 -6.314 -6.294 -0.680 1.00 0.00 C ATOM 968 C TYR A 68 -6.205 -6.471 -2.191 1.00 0.00 C ATOM 969 O TYR A 68 -6.913 -7.284 -2.787 1.00 0.00 O ATOM 970 CB TYR A 68 -4.940 -6.478 -0.033 1.00 0.00 C ATOM 971 CG TYR A 68 -4.703 -5.570 1.153 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.597 -5.537 2.216 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.586 -4.746 1.210 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.385 -4.709 3.302 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.365 -3.916 2.291 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.267 -3.901 3.335 1.00 0.00 C ATOM 977 OH TYR A 68 -4.052 -3.074 4.414 1.00 0.00 O ATOM 0 H TYR A 68 -6.851 -7.975 0.452 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.672 -5.285 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.834 -7.515 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.168 -6.295 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.472 -6.169 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.878 -4.755 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.090 -4.694 4.120 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.491 -3.282 2.319 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.220 -2.573 4.281 1.00 0.00 H new ATOM 987 N LYS A 69 -5.312 -5.704 -2.807 1.00 0.00 N ATOM 988 CA LYS A 69 -5.106 -5.775 -4.249 1.00 0.00 C ATOM 989 C LYS A 69 -3.676 -5.388 -4.614 1.00 0.00 C ATOM 990 O LYS A 69 -3.139 -4.407 -4.101 1.00 0.00 O ATOM 991 CB LYS A 69 -6.094 -4.858 -4.972 1.00 0.00 C ATOM 992 CG LYS A 69 -5.683 -3.396 -4.966 1.00 0.00 C ATOM 993 CD LYS A 69 -5.810 -2.786 -3.580 1.00 0.00 C ATOM 994 CE LYS A 69 -5.676 -1.272 -3.623 1.00 0.00 C ATOM 995 NZ LYS A 69 -6.732 -0.645 -4.466 1.00 0.00 N ATOM 0 H LYS A 69 -4.719 -5.025 -2.330 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.277 -6.804 -4.565 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.199 -5.193 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.074 -4.953 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.653 -3.305 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.305 -2.840 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.775 -3.055 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.043 -3.202 -2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.736 -0.873 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.694 -1.005 -4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.816 0.363 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.477 -0.741 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.641 -1.119 -4.293 1.00 0.00 H new ATOM 1009 N ARG A 70 -3.067 -6.165 -5.504 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.700 -5.903 -5.937 1.00 0.00 C ATOM 1011 C ARG A 70 -1.576 -4.501 -6.528 1.00 0.00 C ATOM 1012 O ARG A 70 -2.242 -4.168 -7.509 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.261 -6.943 -6.970 1.00 0.00 C ATOM 1014 CG ARG A 70 0.240 -7.183 -6.993 1.00 0.00 C ATOM 1015 CD ARG A 70 0.574 -8.577 -7.501 1.00 0.00 C ATOM 1016 NE ARG A 70 0.771 -8.599 -8.948 1.00 0.00 N ATOM 1017 CZ ARG A 70 -0.221 -8.720 -9.823 1.00 0.00 C ATOM 1018 NH1 ARG A 70 -1.473 -8.828 -9.400 1.00 0.00 N ATOM 1019 NH2 ARG A 70 0.038 -8.732 -11.124 1.00 0.00 N ATOM 0 H ARG A 70 -3.499 -6.981 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.050 -5.970 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.768 -7.885 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.584 -6.619 -7.959 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.719 -6.438 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.646 -7.053 -5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.477 -8.936 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.230 -9.263 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 70 1.722 -8.517 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.676 -8.818 -8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.233 -8.921 -10.074 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.000 -8.648 -11.453 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.725 -8.825 -11.795 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.720 -3.684 -5.924 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.509 -2.317 -6.389 1.00 0.00 C ATOM 1035 C LEU A 71 0.841 -2.182 -7.085 1.00 0.00 C ATOM 1036 O LEU A 71 1.584 -3.155 -7.217 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.591 -1.340 -5.215 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.976 -1.148 -4.596 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -1.922 -0.122 -3.476 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -2.981 -0.729 -5.659 1.00 0.00 C ATOM 0 H LEU A 71 -0.161 -3.944 -5.111 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.293 -2.078 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.089 -1.683 -4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.227 -0.369 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.300 -2.099 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.917 0.002 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.234 -0.463 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.577 0.833 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.961 -0.597 -5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.662 0.210 -6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.041 -1.500 -6.427 1.00 0.00 H new ATOM 1052 N ARG A 72 1.154 -0.968 -7.528 1.00 0.00 N ATOM 1053 CA ARG A 72 2.415 -0.705 -8.210 1.00 0.00 C ATOM 1054 C ARG A 72 3.589 -0.805 -7.240 1.00 0.00 C ATOM 1055 O ARG A 72 4.601 -1.437 -7.537 1.00 0.00 O ATOM 1056 CB ARG A 72 2.390 0.681 -8.856 1.00 0.00 C ATOM 1057 CG ARG A 72 1.783 0.693 -10.250 1.00 0.00 C ATOM 1058 CD ARG A 72 2.151 1.959 -11.007 1.00 0.00 C ATOM 1059 NE ARG A 72 1.887 1.836 -12.439 1.00 0.00 N ATOM 1060 CZ ARG A 72 2.742 1.296 -13.300 1.00 0.00 C ATOM 1061 NH1 ARG A 72 3.909 0.831 -12.877 1.00 0.00 N ATOM 1062 NH2 ARG A 72 2.430 1.221 -14.587 1.00 0.00 N ATOM 0 H ARG A 72 0.551 -0.151 -7.426 1.00 0.00 H new ATOM 0 HA ARG A 72 2.543 -1.458 -8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.825 1.360 -8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.408 1.066 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.129 -0.178 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.698 0.614 -10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.585 2.799 -10.605 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.207 2.181 -10.851 1.00 0.00 H new ATOM 0 HE ARG A 72 0.997 2.184 -12.797 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.152 0.887 -11.888 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.564 0.417 -13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 72 1.533 1.578 -14.916 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.087 0.806 -15.248 1.00 0.00 H new ATOM 1076 N GLY A 73 3.445 -0.175 -6.078 1.00 0.00 N ATOM 1077 CA GLY A 73 4.500 -0.204 -5.082 1.00 0.00 C ATOM 1078 C GLY A 73 4.390 -1.399 -4.156 1.00 0.00 C ATOM 1079 O GLY A 73 5.275 -1.640 -3.335 1.00 0.00 O ATOM 0 H GLY A 73 2.616 0.355 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.468 -0.224 -5.583 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.465 0.713 -4.493 1.00 0.00 H new ATOM 1083 N SER A 74 3.301 -2.149 -4.287 1.00 0.00 N ATOM 1084 CA SER A 74 3.076 -3.323 -3.451 1.00 0.00 C ATOM 1085 C SER A 74 3.273 -4.606 -4.252 1.00 0.00 C ATOM 1086 O SER A 74 2.451 -4.979 -5.088 1.00 0.00 O ATOM 1087 CB SER A 74 1.666 -3.290 -2.858 1.00 0.00 C ATOM 1088 OG SER A 74 1.585 -4.086 -1.689 1.00 0.00 O ATOM 0 H SER A 74 2.560 -1.965 -4.964 1.00 0.00 H new ATOM 0 HA SER A 74 3.804 -3.306 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.392 -2.262 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.949 -3.649 -3.596 1.00 0.00 H new ATOM 0 HG SER A 74 0.791 -3.832 -1.174 1.00 0.00 H new ATOM 1094 N PRO A 75 4.392 -5.299 -3.990 1.00 0.00 N ATOM 1095 CA PRO A 75 4.725 -6.552 -4.675 1.00 0.00 C ATOM 1096 C PRO A 75 3.803 -7.697 -4.269 1.00 0.00 C ATOM 1097 O PRO A 75 3.034 -7.579 -3.315 1.00 0.00 O ATOM 1098 CB PRO A 75 6.159 -6.833 -4.221 1.00 0.00 C ATOM 1099 CG PRO A 75 6.286 -6.137 -2.910 1.00 0.00 C ATOM 1100 CD PRO A 75 5.417 -4.914 -3.006 1.00 0.00 C ATOM 0 HA PRO A 75 4.614 -6.468 -5.756 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.339 -7.903 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.884 -6.454 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.963 -6.782 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.323 -5.865 -2.711 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.974 -4.660 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.984 -4.043 -3.336 1.00 0.00 H new ATOM 1108 N ARG A 76 3.886 -8.804 -4.999 1.00 0.00 N ATOM 1109 CA ARG A 76 3.059 -9.970 -4.715 1.00 0.00 C ATOM 1110 C ARG A 76 3.496 -10.645 -3.418 1.00 0.00 C ATOM 1111 O ARG A 76 4.677 -10.636 -3.069 1.00 0.00 O ATOM 1112 CB ARG A 76 3.133 -10.969 -5.872 1.00 0.00 C ATOM 1113 CG ARG A 76 2.182 -12.145 -5.723 1.00 0.00 C ATOM 1114 CD ARG A 76 1.864 -12.778 -7.069 1.00 0.00 C ATOM 1115 NE ARG A 76 2.914 -13.694 -7.505 1.00 0.00 N ATOM 1116 CZ ARG A 76 3.108 -14.039 -8.773 1.00 0.00 C ATOM 1117 NH1 ARG A 76 2.327 -13.546 -9.725 1.00 0.00 N ATOM 1118 NH2 ARG A 76 4.085 -14.879 -9.092 1.00 0.00 N ATOM 0 H ARG A 76 4.518 -8.918 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 76 2.029 -9.633 -4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.911 -10.449 -6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.153 -11.345 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.625 -12.892 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.259 -11.810 -5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.918 -13.316 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.733 -11.995 -7.816 1.00 0.00 H new ATOM 0 HE ARG A 76 3.532 -14.091 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.575 -12.900 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.478 -13.813 -10.698 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.688 -15.260 -8.363 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.233 -15.143 -10.066 1.00 0.00 H new ATOM 1132 N VAL A 77 2.536 -11.228 -2.708 1.00 0.00 N ATOM 1133 CA VAL A 77 2.822 -11.908 -1.450 1.00 0.00 C ATOM 1134 C VAL A 77 2.121 -13.260 -1.384 1.00 0.00 C ATOM 1135 O VAL A 77 1.451 -13.669 -2.332 1.00 0.00 O ATOM 1136 CB VAL A 77 2.386 -11.058 -0.242 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.143 -9.738 -0.216 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.884 -10.819 -0.272 1.00 0.00 C ATOM 0 H VAL A 77 1.554 -11.243 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 77 3.901 -12.059 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 77 2.626 -11.605 0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.822 -9.151 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.213 -9.933 -0.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.938 -9.183 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.594 -10.217 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.617 -10.293 -1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.363 -11.776 -0.238 1.00 0.00 H new ATOM 1148 N GLU A 78 2.282 -13.950 -0.259 1.00 0.00 N ATOM 1149 CA GLU A 78 1.664 -15.257 -0.071 1.00 0.00 C ATOM 1150 C GLU A 78 0.194 -15.115 0.310 1.00 0.00 C ATOM 1151 O GLU A 78 -0.272 -15.726 1.271 1.00 0.00 O ATOM 1152 CB GLU A 78 2.408 -16.046 1.009 1.00 0.00 C ATOM 1153 CG GLU A 78 3.834 -16.405 0.627 1.00 0.00 C ATOM 1154 CD GLU A 78 4.676 -16.802 1.824 1.00 0.00 C ATOM 1155 OE1 GLU A 78 4.786 -15.992 2.768 1.00 0.00 O ATOM 1156 OE2 GLU A 78 5.226 -17.924 1.817 1.00 0.00 O ATOM 0 H GLU A 78 2.834 -13.626 0.535 1.00 0.00 H new ATOM 0 HA GLU A 78 1.725 -15.798 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.423 -15.461 1.929 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.857 -16.962 1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.818 -17.226 -0.090 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.298 -15.554 0.127 1.00 0.00 H new ATOM 1163 N GLY A 79 -0.533 -14.302 -0.452 1.00 0.00 N ATOM 1164 CA GLY A 79 -1.943 -14.093 -0.178 1.00 0.00 C ATOM 1165 C GLY A 79 -2.687 -13.528 -1.372 1.00 0.00 C ATOM 1166 O GLY A 79 -3.585 -12.699 -1.217 1.00 0.00 O ATOM 0 H GLY A 79 -0.171 -13.785 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.397 -15.039 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.049 -13.413 0.667 1.00 0.00 H new ATOM 1170 N ASP A 80 -2.313 -13.974 -2.566 1.00 0.00 N ATOM 1171 CA ASP A 80 -2.951 -13.506 -3.791 1.00 0.00 C ATOM 1172 C ASP A 80 -3.617 -14.661 -4.532 1.00 0.00 C ATOM 1173 O ASP A 80 -3.805 -14.605 -5.747 1.00 0.00 O ATOM 1174 CB ASP A 80 -1.924 -12.826 -4.699 1.00 0.00 C ATOM 1175 CG ASP A 80 -2.540 -11.739 -5.557 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -3.615 -11.225 -5.183 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -1.947 -11.403 -6.603 1.00 0.00 O ATOM 0 H ASP A 80 -1.571 -14.659 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.719 -12.782 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.131 -12.396 -4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.461 -13.574 -5.342 1.00 0.00 H new ATOM 1182 N GLU A 81 -3.970 -15.708 -3.792 1.00 0.00 N ATOM 1183 CA GLU A 81 -4.613 -16.877 -4.380 1.00 0.00 C ATOM 1184 C GLU A 81 -5.305 -17.714 -3.308 1.00 0.00 C ATOM 1185 O GLU A 81 -4.691 -18.097 -2.312 1.00 0.00 O ATOM 1186 CB GLU A 81 -3.585 -17.731 -5.125 1.00 0.00 C ATOM 1187 CG GLU A 81 -4.199 -18.889 -5.893 1.00 0.00 C ATOM 1188 CD GLU A 81 -3.263 -19.453 -6.944 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -2.207 -20.002 -6.565 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -3.586 -19.346 -8.146 1.00 0.00 O ATOM 0 H GLU A 81 -3.821 -15.770 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.366 -16.529 -5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.033 -17.097 -5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.863 -18.123 -4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.473 -19.679 -5.194 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.119 -18.555 -6.373 1.00 0.00 H new ATOM 1197 N ASP A 82 -6.586 -17.993 -3.520 1.00 0.00 N ATOM 1198 CA ASP A 82 -7.363 -18.785 -2.573 1.00 0.00 C ATOM 1199 C ASP A 82 -7.045 -20.270 -2.718 1.00 0.00 C ATOM 1200 O ASP A 82 -6.702 -20.738 -3.803 1.00 0.00 O ATOM 1201 CB ASP A 82 -8.859 -18.548 -2.783 1.00 0.00 C ATOM 1202 CG ASP A 82 -9.222 -18.401 -4.248 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -8.729 -19.208 -5.064 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -9.997 -17.479 -4.578 1.00 0.00 O ATOM 0 H ASP A 82 -7.109 -17.683 -4.339 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.092 -18.470 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.419 -19.379 -2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.161 -17.649 -2.245 1.00 0.00 H new ATOM 1209 N GLU A 83 -7.162 -21.005 -1.616 1.00 0.00 N ATOM 1210 CA GLU A 83 -6.885 -22.437 -1.621 1.00 0.00 C ATOM 1211 C GLU A 83 -7.251 -23.067 -0.280 1.00 0.00 C ATOM 1212 O GLU A 83 -7.199 -22.410 0.759 1.00 0.00 O ATOM 1213 CB GLU A 83 -5.409 -22.692 -1.931 1.00 0.00 C ATOM 1214 CG GLU A 83 -4.990 -24.142 -1.747 1.00 0.00 C ATOM 1215 CD GLU A 83 -3.487 -24.328 -1.816 1.00 0.00 C ATOM 1216 OE1 GLU A 83 -2.818 -23.510 -2.482 1.00 0.00 O ATOM 1217 OE2 GLU A 83 -2.979 -25.290 -1.204 1.00 0.00 O ATOM 0 H GLU A 83 -7.446 -20.633 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.497 -22.897 -2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.205 -22.391 -2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.797 -22.061 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.353 -24.502 -0.784 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.464 -24.753 -2.515 1.00 0.00 H new ATOM 1224 N GLU A 84 -7.622 -24.343 -0.314 1.00 0.00 N ATOM 1225 CA GLU A 84 -7.998 -25.060 0.899 1.00 0.00 C ATOM 1226 C GLU A 84 -7.362 -26.447 0.929 1.00 0.00 C ATOM 1227 O GLU A 84 -7.724 -27.326 0.147 1.00 0.00 O ATOM 1228 CB GLU A 84 -9.520 -25.184 0.993 1.00 0.00 C ATOM 1229 CG GLU A 84 -10.020 -25.487 2.396 1.00 0.00 C ATOM 1230 CD GLU A 84 -10.308 -24.232 3.197 1.00 0.00 C ATOM 1231 OE1 GLU A 84 -9.348 -23.496 3.511 1.00 0.00 O ATOM 1232 OE2 GLU A 84 -11.491 -23.985 3.509 1.00 0.00 O ATOM 0 H GLU A 84 -7.670 -24.901 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.633 -24.492 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.974 -24.255 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.854 -25.973 0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.927 -26.089 2.332 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.276 -26.086 2.921 1.00 0.00 H new ATOM 1239 N ASP A 85 -6.410 -26.635 1.838 1.00 0.00 N ATOM 1240 CA ASP A 85 -5.723 -27.914 1.972 1.00 0.00 C ATOM 1241 C ASP A 85 -6.299 -28.721 3.131 1.00 0.00 C ATOM 1242 O ASP A 85 -5.562 -29.203 3.992 1.00 0.00 O ATOM 1243 CB ASP A 85 -4.225 -27.692 2.184 1.00 0.00 C ATOM 1244 CG ASP A 85 -3.387 -28.827 1.629 1.00 0.00 C ATOM 1245 OD1 ASP A 85 -3.661 -29.266 0.492 1.00 0.00 O ATOM 1246 OD2 ASP A 85 -2.457 -29.276 2.330 1.00 0.00 O ATOM 0 H ASP A 85 -6.097 -25.918 2.492 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.872 -28.477 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.928 -26.758 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.024 -27.583 3.250 1.00 0.00 H new ATOM 1251 N ILE A 86 -7.620 -28.865 3.146 1.00 0.00 N ATOM 1252 CA ILE A 86 -8.294 -29.614 4.199 1.00 0.00 C ATOM 1253 C ILE A 86 -8.522 -31.063 3.783 1.00 0.00 C ATOM 1254 O ILE A 86 -8.686 -31.362 2.600 1.00 0.00 O ATOM 1255 CB ILE A 86 -9.649 -28.978 4.563 1.00 0.00 C ATOM 1256 CG1 ILE A 86 -10.567 -28.945 3.340 1.00 0.00 C ATOM 1257 CG2 ILE A 86 -9.444 -27.575 5.116 1.00 0.00 C ATOM 1258 CD1 ILE A 86 -12.011 -28.643 3.676 1.00 0.00 C ATOM 0 H ILE A 86 -8.244 -28.473 2.441 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.642 -29.587 5.072 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.123 -29.586 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -10.200 -28.194 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.515 -29.907 2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -10.410 -27.139 5.369 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.823 -27.624 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.952 -26.956 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -12.604 -28.636 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.395 -29.408 4.351 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.076 -27.668 4.158 1.00 0.00 H new ATOM 1270 N ASP A 87 -8.531 -31.959 4.764 1.00 0.00 N ATOM 1271 CA ASP A 87 -8.741 -33.378 4.501 1.00 0.00 C ATOM 1272 C ASP A 87 -9.922 -33.911 5.306 1.00 0.00 C ATOM 1273 O ASP A 87 -10.890 -34.423 4.743 1.00 0.00 O ATOM 1274 CB ASP A 87 -7.478 -34.174 4.837 1.00 0.00 C ATOM 1275 CG ASP A 87 -6.268 -33.695 4.059 1.00 0.00 C ATOM 1276 OD1 ASP A 87 -6.370 -33.572 2.820 1.00 0.00 O ATOM 1277 OD2 ASP A 87 -5.220 -33.442 4.690 1.00 0.00 O ATOM 0 H ASP A 87 -8.395 -31.728 5.748 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.964 -33.496 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.275 -34.094 5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.649 -35.229 4.623 1.00 0.00 H new ATOM 1282 N SER A 88 -9.835 -33.788 6.627 1.00 0.00 N ATOM 1283 CA SER A 88 -10.895 -34.262 7.510 1.00 0.00 C ATOM 1284 C SER A 88 -10.983 -33.398 8.764 1.00 0.00 C ATOM 1285 O SER A 88 -10.120 -33.463 9.639 1.00 0.00 O ATOM 1286 CB SER A 88 -10.649 -35.721 7.898 1.00 0.00 C ATOM 1287 OG SER A 88 -11.868 -36.384 8.186 1.00 0.00 O ATOM 0 H SER A 88 -9.042 -33.364 7.109 1.00 0.00 H new ATOM 0 HA SER A 88 -11.841 -34.191 6.974 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.135 -36.235 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.994 -35.764 8.768 1.00 0.00 H new ATOM 0 HG SER A 88 -11.684 -37.315 8.430 1.00 0.00 H new ATOM 1293 N GLY A 89 -12.034 -32.587 8.844 1.00 0.00 N ATOM 1294 CA GLY A 89 -12.217 -31.721 9.994 1.00 0.00 C ATOM 1295 C GLY A 89 -12.755 -30.356 9.612 1.00 0.00 C ATOM 1296 O GLY A 89 -13.052 -30.086 8.448 1.00 0.00 O ATOM 0 H GLY A 89 -12.762 -32.515 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -12.903 -32.195 10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.264 -31.601 10.510 1.00 0.00 H new ATOM 1300 N PRO A 90 -12.887 -29.468 10.608 1.00 0.00 N ATOM 1301 CA PRO A 90 -13.394 -28.109 10.395 1.00 0.00 C ATOM 1302 C PRO A 90 -12.412 -27.239 9.619 1.00 0.00 C ATOM 1303 O PRO A 90 -11.368 -27.713 9.171 1.00 0.00 O ATOM 1304 CB PRO A 90 -13.577 -27.572 11.817 1.00 0.00 C ATOM 1305 CG PRO A 90 -12.618 -28.356 12.644 1.00 0.00 C ATOM 1306 CD PRO A 90 -12.552 -29.722 12.019 1.00 0.00 C ATOM 0 HA PRO A 90 -14.308 -28.103 9.802 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.363 -26.504 11.868 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.602 -27.708 12.163 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.636 -27.884 12.655 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.954 -28.416 13.679 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.561 -30.164 12.123 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -13.259 -30.410 12.482 1.00 0.00 H new ATOM 1314 N SER A 91 -12.753 -25.964 9.463 1.00 0.00 N ATOM 1315 CA SER A 91 -11.902 -25.028 8.738 1.00 0.00 C ATOM 1316 C SER A 91 -11.047 -24.212 9.702 1.00 0.00 C ATOM 1317 O SER A 91 -11.435 -23.122 10.124 1.00 0.00 O ATOM 1318 CB SER A 91 -12.754 -24.093 7.877 1.00 0.00 C ATOM 1319 OG SER A 91 -12.012 -23.596 6.776 1.00 0.00 O ATOM 0 H SER A 91 -13.613 -25.555 9.829 1.00 0.00 H new ATOM 0 HA SER A 91 -11.240 -25.604 8.091 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.633 -24.626 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.113 -23.261 8.483 1.00 0.00 H new ATOM 0 HG SER A 91 -12.579 -23.003 6.241 1.00 0.00 H new ATOM 1325 N SER A 92 -9.880 -24.747 10.047 1.00 0.00 N ATOM 1326 CA SER A 92 -8.970 -24.071 10.965 1.00 0.00 C ATOM 1327 C SER A 92 -7.517 -24.347 10.591 1.00 0.00 C ATOM 1328 O SER A 92 -7.177 -25.441 10.141 1.00 0.00 O ATOM 1329 CB SER A 92 -9.233 -24.524 12.402 1.00 0.00 C ATOM 1330 OG SER A 92 -10.595 -24.346 12.752 1.00 0.00 O ATOM 0 H SER A 92 -9.542 -25.647 9.705 1.00 0.00 H new ATOM 0 HA SER A 92 -9.149 -22.998 10.891 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.960 -25.574 12.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.601 -23.958 13.086 1.00 0.00 H new ATOM 0 HG SER A 92 -10.737 -24.644 13.675 1.00 0.00 H new ATOM 1336 N GLY A 93 -6.663 -23.346 10.780 1.00 0.00 N ATOM 1337 CA GLY A 93 -5.257 -23.499 10.458 1.00 0.00 C ATOM 1338 C GLY A 93 -4.351 -22.863 11.494 1.00 0.00 C ATOM 1339 O GLY A 93 -3.142 -23.084 11.449 1.00 0.00 O ATOM 0 H GLY A 93 -6.920 -22.431 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.020 -24.560 10.375 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.060 -23.051 9.484 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.554 5.793 7.508 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.801 -0.335 4.160 1.00 0.00 ZN