USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 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 33 CYS SG : rot 180:sc= 0.178 USER MOD Set 1.2: A 73 CYS SG : rot 169:sc= 0.174 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.156 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= -4.23 (180deg=-8.74!) USER MOD Single : A 18 GLN : amide:sc= -3.68! K(o=-3.7!,f=-2.6) USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 37:sc= 0.166 USER MOD Single : A 41 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.1!) USER MOD Single : A 45 SER OG : rot 39:sc= 0.884! USER MOD Single : A 55 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.212 USER MOD Single : A 62 GLN : amide:sc= -1.25 K(o=-1.2,f=-7.5!) USER MOD Single : A 64 ASN : amide:sc= -5.49! C(o=-5.5!,f=-3!) USER MOD Single : A 70 HIS : no HD1:sc= -1.08! C(o=-1.1!,f=-0.96!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 82 SER OG : rot 77:sc= 0.629 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.673 -9.341 32.858 1.00 0.00 N ATOM 2 CA GLY A 1 20.442 -10.755 33.088 1.00 0.00 C ATOM 3 C GLY A 1 19.567 -11.010 34.299 1.00 0.00 C ATOM 4 O GLY A 1 20.032 -11.536 35.310 1.00 0.00 O ATOM 0 H1 GLY A 1 21.276 -9.220 32.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.763 -8.861 32.702 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.145 -8.927 33.687 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.973 -11.191 32.206 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.399 -11.259 33.222 1.00 0.00 H new ATOM 8 N SER A 2 18.296 -10.633 34.199 1.00 0.00 N ATOM 9 CA SER A 2 17.355 -10.819 35.297 1.00 0.00 C ATOM 10 C SER A 2 15.939 -10.448 34.868 1.00 0.00 C ATOM 11 O SER A 2 15.733 -9.874 33.798 1.00 0.00 O ATOM 12 CB SER A 2 17.772 -9.975 36.503 1.00 0.00 C ATOM 13 OG SER A 2 17.356 -10.578 37.716 1.00 0.00 O ATOM 0 H SER A 2 17.895 -10.197 33.369 1.00 0.00 H new ATOM 0 HA SER A 2 17.367 -11.872 35.578 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.855 -9.852 36.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.338 -8.979 36.421 1.00 0.00 H new ATOM 0 HG SER A 2 17.636 -10.020 38.472 1.00 0.00 H new ATOM 19 N SER A 3 14.965 -10.779 35.711 1.00 0.00 N ATOM 20 CA SER A 3 13.568 -10.485 35.418 1.00 0.00 C ATOM 21 C SER A 3 13.367 -8.992 35.173 1.00 0.00 C ATOM 22 O SER A 3 13.568 -8.172 36.068 1.00 0.00 O ATOM 23 CB SER A 3 12.674 -10.949 36.570 1.00 0.00 C ATOM 24 OG SER A 3 11.325 -11.069 36.153 1.00 0.00 O ATOM 0 H SER A 3 15.119 -11.251 36.602 1.00 0.00 H new ATOM 0 HA SER A 3 13.291 -11.025 34.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.028 -11.909 36.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.741 -10.240 37.395 1.00 0.00 H new ATOM 0 HG SER A 3 10.775 -11.368 36.907 1.00 0.00 H new ATOM 30 N GLY A 4 12.968 -8.647 33.952 1.00 0.00 N ATOM 31 CA GLY A 4 12.746 -7.255 33.610 1.00 0.00 C ATOM 32 C GLY A 4 12.168 -7.084 32.219 1.00 0.00 C ATOM 33 O GLY A 4 11.045 -7.511 31.950 1.00 0.00 O ATOM 0 H GLY A 4 12.795 -9.307 33.194 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.069 -6.809 34.339 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.689 -6.713 33.677 1.00 0.00 H new ATOM 37 N SER A 5 12.935 -6.457 31.334 1.00 0.00 N ATOM 38 CA SER A 5 12.490 -6.227 29.964 1.00 0.00 C ATOM 39 C SER A 5 13.678 -6.178 29.008 1.00 0.00 C ATOM 40 O SER A 5 14.605 -5.390 29.192 1.00 0.00 O ATOM 41 CB SER A 5 11.696 -4.922 29.877 1.00 0.00 C ATOM 42 OG SER A 5 10.317 -5.146 30.115 1.00 0.00 O ATOM 0 H SER A 5 13.868 -6.099 31.540 1.00 0.00 H new ATOM 0 HA SER A 5 11.846 -7.057 29.672 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.082 -4.209 30.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.830 -4.476 28.891 1.00 0.00 H new ATOM 0 HG SER A 5 10.210 -5.899 30.733 1.00 0.00 H new ATOM 48 N SER A 6 13.641 -7.026 27.985 1.00 0.00 N ATOM 49 CA SER A 6 14.715 -7.083 27.001 1.00 0.00 C ATOM 50 C SER A 6 14.340 -7.998 25.839 1.00 0.00 C ATOM 51 O SER A 6 13.377 -8.760 25.921 1.00 0.00 O ATOM 52 CB SER A 6 16.009 -7.575 27.654 1.00 0.00 C ATOM 53 OG SER A 6 17.145 -7.128 26.935 1.00 0.00 O ATOM 0 H SER A 6 12.879 -7.683 27.816 1.00 0.00 H new ATOM 0 HA SER A 6 14.871 -6.077 26.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.061 -7.216 28.682 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.007 -8.664 27.697 1.00 0.00 H new ATOM 0 HG SER A 6 17.959 -7.454 27.373 1.00 0.00 H new ATOM 59 N GLY A 7 15.108 -7.917 24.757 1.00 0.00 N ATOM 60 CA GLY A 7 14.841 -8.742 23.594 1.00 0.00 C ATOM 61 C GLY A 7 15.814 -8.479 22.461 1.00 0.00 C ATOM 62 O GLY A 7 15.780 -7.418 21.840 1.00 0.00 O ATOM 0 H GLY A 7 15.911 -7.294 24.665 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.894 -9.793 23.878 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.825 -8.557 23.246 1.00 0.00 H new ATOM 66 N GLU A 8 16.684 -9.448 22.194 1.00 0.00 N ATOM 67 CA GLU A 8 17.672 -9.315 21.130 1.00 0.00 C ATOM 68 C GLU A 8 17.439 -10.355 20.038 1.00 0.00 C ATOM 69 O GLU A 8 18.100 -11.392 20.001 1.00 0.00 O ATOM 70 CB GLU A 8 19.086 -9.461 21.696 1.00 0.00 C ATOM 71 CG GLU A 8 19.614 -8.196 22.349 1.00 0.00 C ATOM 72 CD GLU A 8 20.638 -8.481 23.431 1.00 0.00 C ATOM 73 OE1 GLU A 8 21.806 -8.753 23.085 1.00 0.00 O ATOM 74 OE2 GLU A 8 20.269 -8.432 24.623 1.00 0.00 O ATOM 0 H GLU A 8 16.725 -10.333 22.699 1.00 0.00 H new ATOM 0 HA GLU A 8 17.565 -8.323 20.691 1.00 0.00 H new ATOM 0 HB2 GLU A 8 19.093 -10.268 22.429 1.00 0.00 H new ATOM 0 HB3 GLU A 8 19.761 -9.754 20.892 1.00 0.00 H new ATOM 0 HG2 GLU A 8 20.064 -7.559 21.587 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.782 -7.639 22.779 1.00 0.00 H new ATOM 81 N GLY A 9 16.492 -10.069 19.148 1.00 0.00 N ATOM 82 CA GLY A 9 16.188 -10.988 18.068 1.00 0.00 C ATOM 83 C GLY A 9 15.834 -10.272 16.780 1.00 0.00 C ATOM 84 O GLY A 9 16.646 -9.524 16.234 1.00 0.00 O ATOM 0 H GLY A 9 15.931 -9.217 19.157 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.046 -11.637 17.895 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.358 -11.629 18.364 1.00 0.00 H new ATOM 88 N ASP A 10 14.620 -10.502 16.291 1.00 0.00 N ATOM 89 CA ASP A 10 14.161 -9.873 15.058 1.00 0.00 C ATOM 90 C ASP A 10 12.812 -9.190 15.266 1.00 0.00 C ATOM 91 O ASP A 10 11.773 -9.661 14.804 1.00 0.00 O ATOM 92 CB ASP A 10 14.053 -10.912 13.940 1.00 0.00 C ATOM 93 CG ASP A 10 13.102 -12.040 14.288 1.00 0.00 C ATOM 94 OD1 ASP A 10 13.056 -12.434 15.471 1.00 0.00 O ATOM 95 OD2 ASP A 10 12.403 -12.529 13.375 1.00 0.00 O ATOM 0 H ASP A 10 13.936 -11.119 16.730 1.00 0.00 H new ATOM 0 HA ASP A 10 14.891 -9.116 14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.714 -10.424 13.026 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.041 -11.324 13.734 1.00 0.00 H new ATOM 100 N PRO A 11 12.828 -8.054 15.978 1.00 0.00 N ATOM 101 CA PRO A 11 11.615 -7.282 16.264 1.00 0.00 C ATOM 102 C PRO A 11 11.049 -6.608 15.019 1.00 0.00 C ATOM 103 O PRO A 11 11.627 -6.701 13.936 1.00 0.00 O ATOM 104 CB PRO A 11 12.092 -6.232 17.271 1.00 0.00 C ATOM 105 CG PRO A 11 13.549 -6.080 16.998 1.00 0.00 C ATOM 106 CD PRO A 11 14.031 -7.435 16.559 1.00 0.00 C ATOM 0 HA PRO A 11 10.808 -7.914 16.636 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.564 -5.288 17.139 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.913 -6.556 18.296 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.725 -5.333 16.224 1.00 0.00 H new ATOM 0 HG3 PRO A 11 14.080 -5.747 17.889 1.00 0.00 H new ATOM 0 HD2 PRO A 11 14.836 -7.358 15.828 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.416 -8.015 17.397 1.00 0.00 H new ATOM 114 N GLU A 12 9.917 -5.930 15.181 1.00 0.00 N ATOM 115 CA GLU A 12 9.275 -5.241 14.068 1.00 0.00 C ATOM 116 C GLU A 12 10.031 -3.966 13.707 1.00 0.00 C ATOM 117 O GLU A 12 9.858 -2.928 14.344 1.00 0.00 O ATOM 118 CB GLU A 12 7.823 -4.905 14.417 1.00 0.00 C ATOM 119 CG GLU A 12 6.862 -6.063 14.203 1.00 0.00 C ATOM 120 CD GLU A 12 7.358 -7.355 14.823 1.00 0.00 C ATOM 121 OE1 GLU A 12 7.200 -7.522 16.050 1.00 0.00 O ATOM 122 OE2 GLU A 12 7.904 -8.198 14.081 1.00 0.00 O ATOM 0 H GLU A 12 9.426 -5.843 16.071 1.00 0.00 H new ATOM 0 HA GLU A 12 9.290 -5.907 13.205 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.772 -4.590 15.459 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.499 -4.058 13.812 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.892 -5.809 14.630 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.711 -6.212 13.134 1.00 0.00 H new ATOM 129 N ASN A 13 10.872 -4.053 12.681 1.00 0.00 N ATOM 130 CA ASN A 13 11.656 -2.907 12.236 1.00 0.00 C ATOM 131 C ASN A 13 10.767 -1.872 11.553 1.00 0.00 C ATOM 132 O ASN A 13 10.650 -0.738 12.014 1.00 0.00 O ATOM 133 CB ASN A 13 12.760 -3.359 11.279 1.00 0.00 C ATOM 134 CG ASN A 13 13.930 -2.394 11.248 1.00 0.00 C ATOM 135 OD1 ASN A 13 13.836 -1.272 11.745 1.00 0.00 O ATOM 136 ND2 ASN A 13 15.040 -2.829 10.662 1.00 0.00 N ATOM 0 H ASN A 13 11.028 -4.905 12.143 1.00 0.00 H new ATOM 0 HA ASN A 13 12.111 -2.447 13.113 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.114 -4.346 11.578 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.348 -3.459 10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.860 -2.225 10.611 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.072 -3.767 10.263 1.00 0.00 H new ATOM 143 N GLY A 14 10.143 -2.272 10.449 1.00 0.00 N ATOM 144 CA GLY A 14 9.272 -1.368 9.720 1.00 0.00 C ATOM 145 C GLY A 14 8.094 -0.901 10.552 1.00 0.00 C ATOM 146 O GLY A 14 7.931 -1.319 11.697 1.00 0.00 O ATOM 0 H GLY A 14 10.225 -3.206 10.047 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.846 -0.502 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.904 -1.867 8.823 1.00 0.00 H new ATOM 150 N GLU A 15 7.273 -0.030 9.975 1.00 0.00 N ATOM 151 CA GLU A 15 6.105 0.496 10.672 1.00 0.00 C ATOM 152 C GLU A 15 4.908 0.594 9.732 1.00 0.00 C ATOM 153 O GLU A 15 5.066 0.689 8.514 1.00 0.00 O ATOM 154 CB GLU A 15 6.416 1.872 11.266 1.00 0.00 C ATOM 155 CG GLU A 15 6.737 2.927 10.221 1.00 0.00 C ATOM 156 CD GLU A 15 6.799 4.326 10.805 1.00 0.00 C ATOM 157 OE1 GLU A 15 5.886 4.688 11.575 1.00 0.00 O ATOM 158 OE2 GLU A 15 7.761 5.057 10.490 1.00 0.00 O ATOM 0 H GLU A 15 7.395 0.326 9.027 1.00 0.00 H new ATOM 0 HA GLU A 15 5.854 -0.193 11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.562 2.205 11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.260 1.781 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.692 2.690 9.752 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.981 2.898 9.436 1.00 0.00 H new ATOM 165 N LYS A 16 3.709 0.570 10.305 1.00 0.00 N ATOM 166 CA LYS A 16 2.483 0.657 9.520 1.00 0.00 C ATOM 167 C LYS A 16 2.216 2.095 9.087 1.00 0.00 C ATOM 168 O LYS A 16 2.150 3.003 9.917 1.00 0.00 O ATOM 169 CB LYS A 16 1.297 0.128 10.329 1.00 0.00 C ATOM 170 CG LYS A 16 1.082 -1.369 10.185 1.00 0.00 C ATOM 171 CD LYS A 16 0.110 -1.687 9.062 1.00 0.00 C ATOM 172 CE LYS A 16 0.762 -1.526 7.697 1.00 0.00 C ATOM 173 NZ LYS A 16 2.039 -2.285 7.600 1.00 0.00 N ATOM 0 H LYS A 16 3.560 0.491 11.311 1.00 0.00 H new ATOM 0 HA LYS A 16 2.608 0.044 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.451 0.365 11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.392 0.648 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.037 -1.858 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.702 -1.775 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.255 -2.708 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.756 -1.029 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.075 -1.870 6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.952 -0.470 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.158 -2.641 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.834 -1.659 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.018 -3.086 8.263 1.00 0.00 H new ATOM 187 N LEU A 17 2.061 2.296 7.783 1.00 0.00 N ATOM 188 CA LEU A 17 1.798 3.624 7.239 1.00 0.00 C ATOM 189 C LEU A 17 0.706 3.571 6.175 1.00 0.00 C ATOM 190 O LEU A 17 0.751 2.741 5.268 1.00 0.00 O ATOM 191 CB LEU A 17 3.077 4.215 6.644 1.00 0.00 C ATOM 192 CG LEU A 17 4.273 4.318 7.592 1.00 0.00 C ATOM 193 CD1 LEU A 17 5.551 4.581 6.811 1.00 0.00 C ATOM 194 CD2 LEU A 17 4.042 5.412 8.624 1.00 0.00 C ATOM 0 H LEU A 17 2.113 1.556 7.083 1.00 0.00 H new ATOM 0 HA LEU A 17 1.455 4.262 8.054 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.369 3.608 5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.851 5.212 6.266 1.00 0.00 H new ATOM 0 HG LEU A 17 4.380 3.368 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.391 4.651 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.724 3.764 6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.455 5.517 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.903 5.471 9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.909 6.368 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.149 5.182 9.205 1.00 0.00 H new ATOM 206 N GLN A 18 -0.273 4.462 6.294 1.00 0.00 N ATOM 207 CA GLN A 18 -1.375 4.517 5.341 1.00 0.00 C ATOM 208 C GLN A 18 -1.133 5.595 4.290 1.00 0.00 C ATOM 209 O GLN A 18 -0.539 6.634 4.578 1.00 0.00 O ATOM 210 CB GLN A 18 -2.693 4.786 6.069 1.00 0.00 C ATOM 211 CG GLN A 18 -3.882 4.950 5.136 1.00 0.00 C ATOM 212 CD GLN A 18 -4.985 5.796 5.738 1.00 0.00 C ATOM 213 OE1 GLN A 18 -4.961 7.024 5.648 1.00 0.00 O ATOM 214 NE2 GLN A 18 -5.961 5.144 6.359 1.00 0.00 N ATOM 0 H GLN A 18 -0.325 5.155 7.040 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.435 3.552 4.838 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.892 3.964 6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.588 5.688 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.547 5.406 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.280 3.967 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.942 4.125 6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.730 5.662 6.785 1.00 0.00 H new ATOM 223 N ILE A 19 -1.595 5.339 3.071 1.00 0.00 N ATOM 224 CA ILE A 19 -1.429 6.288 1.977 1.00 0.00 C ATOM 225 C ILE A 19 -2.764 6.593 1.305 1.00 0.00 C ATOM 226 O ILE A 19 -3.533 5.685 0.987 1.00 0.00 O ATOM 227 CB ILE A 19 -0.443 5.759 0.918 1.00 0.00 C ATOM 228 CG1 ILE A 19 0.890 5.389 1.570 1.00 0.00 C ATOM 229 CG2 ILE A 19 -0.234 6.796 -0.176 1.00 0.00 C ATOM 230 CD1 ILE A 19 1.670 6.584 2.072 1.00 0.00 C ATOM 0 H ILE A 19 -2.087 4.483 2.816 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.027 7.203 2.412 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.866 4.862 0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.702 4.712 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.499 4.845 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.465 6.408 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.187 7.015 -0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.170 7.709 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.604 6.246 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.889 7.251 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.080 7.117 2.818 1.00 0.00 H new ATOM 242 N THR A 20 -3.033 7.877 1.091 1.00 0.00 N ATOM 243 CA THR A 20 -4.274 8.302 0.456 1.00 0.00 C ATOM 244 C THR A 20 -4.037 8.719 -0.990 1.00 0.00 C ATOM 245 O THR A 20 -3.284 9.656 -1.261 1.00 0.00 O ATOM 246 CB THR A 20 -4.921 9.474 1.218 1.00 0.00 C ATOM 247 OG1 THR A 20 -5.081 9.133 2.599 1.00 0.00 O ATOM 248 CG2 THR A 20 -6.273 9.829 0.618 1.00 0.00 C ATOM 0 H THR A 20 -2.408 8.641 1.348 1.00 0.00 H new ATOM 0 HA THR A 20 -4.950 7.447 0.478 1.00 0.00 H new ATOM 0 HB THR A 20 -4.264 10.340 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.491 9.884 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.711 10.659 1.173 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.144 10.118 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.935 8.965 0.676 1.00 0.00 H new ATOM 256 N ILE A 21 -4.685 8.020 -1.917 1.00 0.00 N ATOM 257 CA ILE A 21 -4.545 8.321 -3.336 1.00 0.00 C ATOM 258 C ILE A 21 -5.865 8.802 -3.929 1.00 0.00 C ATOM 259 O ILE A 21 -6.920 8.221 -3.672 1.00 0.00 O ATOM 260 CB ILE A 21 -4.058 7.092 -4.126 1.00 0.00 C ATOM 261 CG1 ILE A 21 -2.699 6.626 -3.600 1.00 0.00 C ATOM 262 CG2 ILE A 21 -3.975 7.415 -5.611 1.00 0.00 C ATOM 263 CD1 ILE A 21 -2.288 5.263 -4.112 1.00 0.00 C ATOM 0 H ILE A 21 -5.311 7.242 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.802 9.114 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.776 6.283 -3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.940 7.355 -3.882 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.729 6.602 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.629 6.536 -6.156 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.961 7.704 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -3.276 8.236 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.315 4.997 -3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.027 4.522 -3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.225 5.287 -5.200 1.00 0.00 H new ATOM 275 N ARG A 22 -5.799 9.864 -4.724 1.00 0.00 N ATOM 276 CA ARG A 22 -6.989 10.423 -5.354 1.00 0.00 C ATOM 277 C ARG A 22 -6.903 10.311 -6.873 1.00 0.00 C ATOM 278 O ARG A 22 -5.822 10.417 -7.453 1.00 0.00 O ATOM 279 CB ARG A 22 -7.166 11.888 -4.949 1.00 0.00 C ATOM 280 CG ARG A 22 -5.967 12.761 -5.279 1.00 0.00 C ATOM 281 CD ARG A 22 -6.244 14.225 -4.979 1.00 0.00 C ATOM 282 NE ARG A 22 -6.090 14.532 -3.559 1.00 0.00 N ATOM 283 CZ ARG A 22 -4.921 14.525 -2.929 1.00 0.00 C ATOM 284 NH1 ARG A 22 -3.810 14.229 -3.589 1.00 0.00 N ATOM 285 NH2 ARG A 22 -4.861 14.815 -1.635 1.00 0.00 N ATOM 0 H ARG A 22 -4.933 10.355 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.853 9.852 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.046 12.291 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.358 11.939 -3.877 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.104 12.428 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.711 12.647 -6.332 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.565 14.849 -5.560 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.257 14.475 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.926 14.764 -3.022 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.852 14.006 -4.583 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.914 14.224 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.713 15.044 -1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.963 14.809 -1.152 1.00 0.00 H new ATOM 299 N ARG A 23 -8.049 10.096 -7.511 1.00 0.00 N ATOM 300 CA ARG A 23 -8.103 9.968 -8.962 1.00 0.00 C ATOM 301 C ARG A 23 -7.319 11.090 -9.637 1.00 0.00 C ATOM 302 O ARG A 23 -7.683 12.261 -9.538 1.00 0.00 O ATOM 303 CB ARG A 23 -9.555 9.985 -9.443 1.00 0.00 C ATOM 304 CG ARG A 23 -9.786 9.178 -10.711 1.00 0.00 C ATOM 305 CD ARG A 23 -11.260 8.859 -10.907 1.00 0.00 C ATOM 306 NE ARG A 23 -11.591 8.641 -12.312 1.00 0.00 N ATOM 307 CZ ARG A 23 -11.870 9.623 -13.162 1.00 0.00 C ATOM 308 NH1 ARG A 23 -11.858 10.884 -12.751 1.00 0.00 N ATOM 309 NH2 ARG A 23 -12.161 9.345 -14.427 1.00 0.00 N ATOM 0 H ARG A 23 -8.952 10.007 -7.046 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.648 9.016 -9.235 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.195 9.595 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.859 11.017 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.416 9.736 -11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.215 8.251 -10.663 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.518 7.970 -10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.863 9.678 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.609 7.682 -12.660 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.634 11.102 -11.780 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.073 11.636 -13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.171 8.377 -14.747 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.375 10.100 -15.079 1.00 0.00 H new ATOM 323 N GLY A 24 -6.240 10.722 -10.322 1.00 0.00 N ATOM 324 CA GLY A 24 -5.422 11.709 -11.001 1.00 0.00 C ATOM 325 C GLY A 24 -5.887 11.971 -12.420 1.00 0.00 C ATOM 326 O GLY A 24 -6.468 13.017 -12.708 1.00 0.00 O ATOM 0 H GLY A 24 -5.919 9.759 -10.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.441 12.642 -10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.387 11.368 -11.018 1.00 0.00 H new ATOM 330 N LYS A 25 -5.630 11.018 -13.310 1.00 0.00 N ATOM 331 CA LYS A 25 -6.026 11.149 -14.707 1.00 0.00 C ATOM 332 C LYS A 25 -6.272 9.781 -15.334 1.00 0.00 C ATOM 333 O LYS A 25 -5.372 8.943 -15.392 1.00 0.00 O ATOM 334 CB LYS A 25 -4.949 11.897 -15.496 1.00 0.00 C ATOM 335 CG LYS A 25 -4.920 13.390 -15.222 1.00 0.00 C ATOM 336 CD LYS A 25 -3.877 14.094 -16.075 1.00 0.00 C ATOM 337 CE LYS A 25 -3.715 15.550 -15.668 1.00 0.00 C ATOM 338 NZ LYS A 25 -2.959 16.330 -16.686 1.00 0.00 N ATOM 0 H LYS A 25 -5.149 10.146 -13.088 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.955 11.718 -14.743 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.974 11.473 -15.255 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.113 11.735 -16.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.903 13.817 -15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.706 13.563 -14.167 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.921 13.580 -15.980 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.166 14.038 -17.125 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.698 15.998 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.197 15.604 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.870 17.317 -16.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.012 15.918 -16.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.466 16.300 -17.593 1.00 0.00 H new ATOM 352 N ASP A 26 -7.496 9.561 -15.803 1.00 0.00 N ATOM 353 CA ASP A 26 -7.859 8.295 -16.428 1.00 0.00 C ATOM 354 C ASP A 26 -7.331 7.117 -15.615 1.00 0.00 C ATOM 355 O ASP A 26 -6.832 6.140 -16.172 1.00 0.00 O ATOM 356 CB ASP A 26 -7.315 8.231 -17.855 1.00 0.00 C ATOM 357 CG ASP A 26 -8.112 7.291 -18.738 1.00 0.00 C ATOM 358 OD1 ASP A 26 -9.295 7.042 -18.424 1.00 0.00 O ATOM 359 OD2 ASP A 26 -7.553 6.805 -19.743 1.00 0.00 O ATOM 0 H ASP A 26 -8.253 10.243 -15.762 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.947 8.233 -16.460 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.327 9.230 -18.290 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.275 7.906 -17.830 1.00 0.00 H new ATOM 364 N GLY A 27 -7.444 7.217 -14.294 1.00 0.00 N ATOM 365 CA GLY A 27 -6.972 6.154 -13.426 1.00 0.00 C ATOM 366 C GLY A 27 -6.467 6.673 -12.095 1.00 0.00 C ATOM 367 O GLY A 27 -6.974 7.667 -11.576 1.00 0.00 O ATOM 0 H GLY A 27 -7.854 8.015 -13.809 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.781 5.445 -13.252 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.172 5.609 -13.927 1.00 0.00 H new ATOM 371 N PHE A 28 -5.466 5.998 -11.540 1.00 0.00 N ATOM 372 CA PHE A 28 -4.893 6.395 -10.259 1.00 0.00 C ATOM 373 C PHE A 28 -3.453 6.869 -10.431 1.00 0.00 C ATOM 374 O PHE A 28 -3.077 7.935 -9.945 1.00 0.00 O ATOM 375 CB PHE A 28 -4.944 5.229 -9.270 1.00 0.00 C ATOM 376 CG PHE A 28 -6.289 5.045 -8.628 1.00 0.00 C ATOM 377 CD1 PHE A 28 -6.806 6.014 -7.782 1.00 0.00 C ATOM 378 CD2 PHE A 28 -7.037 3.905 -8.870 1.00 0.00 C ATOM 379 CE1 PHE A 28 -8.043 5.847 -7.190 1.00 0.00 C ATOM 380 CE2 PHE A 28 -8.276 3.732 -8.280 1.00 0.00 C ATOM 381 CZ PHE A 28 -8.780 4.706 -7.440 1.00 0.00 C ATOM 0 H PHE A 28 -5.035 5.173 -11.957 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.484 7.222 -9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.670 4.311 -9.789 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.198 5.390 -8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.235 6.909 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.648 3.142 -9.528 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.434 6.609 -6.532 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -8.848 2.837 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 28 -9.748 4.576 -6.980 1.00 0.00 H new ATOM 391 N GLY A 29 -2.651 6.068 -11.125 1.00 0.00 N ATOM 392 CA GLY A 29 -1.261 6.421 -11.348 1.00 0.00 C ATOM 393 C GLY A 29 -0.315 5.279 -11.035 1.00 0.00 C ATOM 394 O GLY A 29 0.587 4.978 -11.817 1.00 0.00 O ATOM 0 H GLY A 29 -2.939 5.180 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.129 6.724 -12.387 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.004 7.281 -10.730 1.00 0.00 H new ATOM 398 N PHE A 30 -0.520 4.642 -9.886 1.00 0.00 N ATOM 399 CA PHE A 30 0.324 3.528 -9.470 1.00 0.00 C ATOM 400 C PHE A 30 -0.259 2.198 -9.940 1.00 0.00 C ATOM 401 O PHE A 30 -1.475 2.048 -10.061 1.00 0.00 O ATOM 402 CB PHE A 30 0.479 3.519 -7.948 1.00 0.00 C ATOM 403 CG PHE A 30 -0.762 3.086 -7.221 1.00 0.00 C ATOM 404 CD1 PHE A 30 -1.830 3.955 -7.068 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.860 1.810 -6.691 1.00 0.00 C ATOM 406 CE1 PHE A 30 -2.972 3.559 -6.399 1.00 0.00 C ATOM 407 CE2 PHE A 30 -2.001 1.408 -6.021 1.00 0.00 C ATOM 408 CZ PHE A 30 -3.059 2.284 -5.876 1.00 0.00 C ATOM 0 H PHE A 30 -1.262 4.878 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 30 1.305 3.657 -9.928 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.299 2.854 -7.678 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.756 4.519 -7.613 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.769 4.953 -7.476 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.036 1.121 -6.802 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.797 4.247 -6.285 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.065 0.411 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.952 1.972 -5.355 1.00 0.00 H new ATOM 418 N THR A 31 0.618 1.235 -10.204 1.00 0.00 N ATOM 419 CA THR A 31 0.193 -0.082 -10.663 1.00 0.00 C ATOM 420 C THR A 31 0.605 -1.168 -9.676 1.00 0.00 C ATOM 421 O THR A 31 1.722 -1.157 -9.158 1.00 0.00 O ATOM 422 CB THR A 31 0.782 -0.412 -12.048 1.00 0.00 C ATOM 423 OG1 THR A 31 0.628 0.709 -12.925 1.00 0.00 O ATOM 424 CG2 THR A 31 0.100 -1.631 -12.649 1.00 0.00 C ATOM 0 H THR A 31 1.628 1.342 -10.108 1.00 0.00 H new ATOM 0 HA THR A 31 -0.894 -0.055 -10.736 1.00 0.00 H new ATOM 0 HB THR A 31 1.842 -0.633 -11.925 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.006 0.492 -13.803 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.532 -1.845 -13.626 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.244 -2.489 -11.993 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.966 -1.434 -12.759 1.00 0.00 H new ATOM 432 N ILE A 32 -0.303 -2.104 -9.420 1.00 0.00 N ATOM 433 CA ILE A 32 -0.032 -3.198 -8.496 1.00 0.00 C ATOM 434 C ILE A 32 -0.665 -4.497 -8.982 1.00 0.00 C ATOM 435 O ILE A 32 -1.850 -4.535 -9.314 1.00 0.00 O ATOM 436 CB ILE A 32 -0.553 -2.882 -7.082 1.00 0.00 C ATOM 437 CG1 ILE A 32 -2.082 -2.813 -7.082 1.00 0.00 C ATOM 438 CG2 ILE A 32 0.042 -1.576 -6.577 1.00 0.00 C ATOM 439 CD1 ILE A 32 -2.745 -4.108 -6.668 1.00 0.00 C ATOM 0 H ILE A 32 -1.232 -2.126 -9.840 1.00 0.00 H new ATOM 0 HA ILE A 32 1.051 -3.318 -8.456 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.244 -3.682 -6.410 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.402 -2.019 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.425 -2.541 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.336 -1.367 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.128 -1.660 -6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.239 -0.764 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.828 -3.986 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.455 -4.902 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.431 -4.371 -5.658 1.00 0.00 H new ATOM 451 N CYS A 33 0.131 -5.560 -9.018 1.00 0.00 N ATOM 452 CA CYS A 33 -0.351 -6.862 -9.462 1.00 0.00 C ATOM 453 C CYS A 33 0.451 -7.988 -8.817 1.00 0.00 C ATOM 454 O CYS A 33 1.670 -8.062 -8.972 1.00 0.00 O ATOM 455 CB CYS A 33 -0.268 -6.968 -10.985 1.00 0.00 C ATOM 456 SG CYS A 33 -0.964 -8.496 -11.658 1.00 0.00 S ATOM 0 H CYS A 33 1.114 -5.545 -8.745 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.392 -6.960 -9.155 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.789 -6.119 -11.427 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.777 -6.893 -11.287 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.849 -8.492 -12.953 1.00 0.00 H new ATOM 462 N CYS A 34 -0.241 -8.860 -8.092 1.00 0.00 N ATOM 463 CA CYS A 34 0.407 -9.982 -7.421 1.00 0.00 C ATOM 464 C CYS A 34 -0.617 -10.844 -6.691 1.00 0.00 C ATOM 465 O CYS A 34 -1.405 -10.344 -5.888 1.00 0.00 O ATOM 466 CB CYS A 34 1.459 -9.473 -6.435 1.00 0.00 C ATOM 467 SG CYS A 34 2.860 -10.593 -6.207 1.00 0.00 S ATOM 0 H CYS A 34 -1.250 -8.812 -7.954 1.00 0.00 H new ATOM 0 HA CYS A 34 0.895 -10.595 -8.179 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.831 -8.509 -6.783 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.984 -9.302 -5.469 1.00 0.00 H new ATOM 0 HG CYS A 34 3.696 -10.074 -5.357 1.00 0.00 H new ATOM 473 N ASP A 35 -0.602 -12.141 -6.977 1.00 0.00 N ATOM 474 CA ASP A 35 -1.530 -13.074 -6.349 1.00 0.00 C ATOM 475 C ASP A 35 -1.383 -13.046 -4.830 1.00 0.00 C ATOM 476 O ASP A 35 -0.272 -13.090 -4.303 1.00 0.00 O ATOM 477 CB ASP A 35 -1.293 -14.492 -6.870 1.00 0.00 C ATOM 478 CG ASP A 35 -0.764 -14.506 -8.291 1.00 0.00 C ATOM 479 OD1 ASP A 35 -1.103 -13.581 -9.059 1.00 0.00 O ATOM 480 OD2 ASP A 35 -0.011 -15.441 -8.635 1.00 0.00 O ATOM 0 H ASP A 35 0.043 -12.570 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.544 -12.767 -6.605 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.585 -15.002 -6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.227 -15.052 -6.828 1.00 0.00 H new ATOM 485 N SER A 36 -2.513 -12.971 -4.133 1.00 0.00 N ATOM 486 CA SER A 36 -2.510 -12.932 -2.676 1.00 0.00 C ATOM 487 C SER A 36 -1.324 -13.710 -2.113 1.00 0.00 C ATOM 488 O SER A 36 -1.131 -14.891 -2.402 1.00 0.00 O ATOM 489 CB SER A 36 -3.817 -13.505 -2.126 1.00 0.00 C ATOM 490 OG SER A 36 -4.075 -14.792 -2.662 1.00 0.00 O ATOM 0 H SER A 36 -3.441 -12.936 -4.554 1.00 0.00 H new ATOM 0 HA SER A 36 -2.419 -11.891 -2.366 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.763 -13.564 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.642 -12.835 -2.368 1.00 0.00 H new ATOM 0 HG SER A 36 -3.232 -15.283 -2.755 1.00 0.00 H new ATOM 496 N PRO A 37 -0.509 -13.032 -1.291 1.00 0.00 N ATOM 497 CA PRO A 37 -0.729 -11.626 -0.941 1.00 0.00 C ATOM 498 C PRO A 37 -0.479 -10.690 -2.119 1.00 0.00 C ATOM 499 O PRO A 37 0.342 -10.977 -2.990 1.00 0.00 O ATOM 500 CB PRO A 37 0.294 -11.373 0.169 1.00 0.00 C ATOM 501 CG PRO A 37 1.371 -12.373 -0.073 1.00 0.00 C ATOM 502 CD PRO A 37 0.689 -13.587 -0.640 1.00 0.00 C ATOM 0 HA PRO A 37 -1.760 -11.437 -0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.682 -10.355 0.125 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.152 -11.502 1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.116 -11.984 -0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.894 -12.615 0.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.327 -14.111 -1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.428 -14.302 0.140 1.00 0.00 H new ATOM 510 N VAL A 38 -1.192 -9.568 -2.139 1.00 0.00 N ATOM 511 CA VAL A 38 -1.046 -8.589 -3.209 1.00 0.00 C ATOM 512 C VAL A 38 0.164 -7.693 -2.973 1.00 0.00 C ATOM 513 O VAL A 38 0.500 -7.374 -1.832 1.00 0.00 O ATOM 514 CB VAL A 38 -2.304 -7.710 -3.341 1.00 0.00 C ATOM 515 CG1 VAL A 38 -2.072 -6.592 -4.346 1.00 0.00 C ATOM 516 CG2 VAL A 38 -3.505 -8.554 -3.738 1.00 0.00 C ATOM 0 H VAL A 38 -1.876 -9.315 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.905 -9.149 -4.133 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.512 -7.257 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.972 -5.982 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.240 -5.971 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.837 -7.021 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.385 -7.916 -3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.310 -9.038 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.683 -9.314 -2.977 1.00 0.00 H new ATOM 526 N ARG A 39 0.816 -7.289 -4.059 1.00 0.00 N ATOM 527 CA ARG A 39 1.990 -6.430 -3.970 1.00 0.00 C ATOM 528 C ARG A 39 1.955 -5.348 -5.046 1.00 0.00 C ATOM 529 O ARG A 39 1.092 -5.359 -5.924 1.00 0.00 O ATOM 530 CB ARG A 39 3.268 -7.260 -4.107 1.00 0.00 C ATOM 531 CG ARG A 39 4.453 -6.684 -3.350 1.00 0.00 C ATOM 532 CD ARG A 39 5.528 -7.734 -3.116 1.00 0.00 C ATOM 533 NE ARG A 39 5.290 -8.499 -1.895 1.00 0.00 N ATOM 534 CZ ARG A 39 5.767 -9.721 -1.689 1.00 0.00 C ATOM 535 NH1 ARG A 39 6.504 -10.314 -2.619 1.00 0.00 N ATOM 536 NH2 ARG A 39 5.508 -10.353 -0.552 1.00 0.00 N ATOM 0 H ARG A 39 0.551 -7.543 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 39 1.982 -5.947 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.075 -8.271 -3.748 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.527 -7.341 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.874 -5.850 -3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.116 -6.287 -2.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.563 -8.413 -3.968 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.502 -7.248 -3.055 1.00 0.00 H new ATOM 0 HE ARG A 39 4.727 -8.071 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.705 -9.831 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.869 -11.253 -2.458 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.942 -9.900 0.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.875 -11.292 -0.395 1.00 0.00 H new ATOM 550 N VAL A 40 2.899 -4.416 -4.972 1.00 0.00 N ATOM 551 CA VAL A 40 2.978 -3.328 -5.939 1.00 0.00 C ATOM 552 C VAL A 40 3.896 -3.690 -7.101 1.00 0.00 C ATOM 553 O VAL A 40 4.869 -4.424 -6.929 1.00 0.00 O ATOM 554 CB VAL A 40 3.485 -2.029 -5.284 1.00 0.00 C ATOM 555 CG1 VAL A 40 3.732 -0.961 -6.338 1.00 0.00 C ATOM 556 CG2 VAL A 40 2.495 -1.539 -4.238 1.00 0.00 C ATOM 0 H VAL A 40 3.621 -4.393 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 40 1.968 -3.166 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 40 4.431 -2.239 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.090 -0.051 -5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.481 -1.315 -7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.803 -0.750 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.869 -0.621 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.532 -1.345 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.374 -2.300 -3.467 1.00 0.00 H new ATOM 566 N GLN A 41 3.579 -3.171 -8.282 1.00 0.00 N ATOM 567 CA GLN A 41 4.377 -3.440 -9.473 1.00 0.00 C ATOM 568 C GLN A 41 5.388 -2.324 -9.715 1.00 0.00 C ATOM 569 O GLN A 41 6.592 -2.569 -9.783 1.00 0.00 O ATOM 570 CB GLN A 41 3.470 -3.597 -10.695 1.00 0.00 C ATOM 571 CG GLN A 41 4.143 -4.294 -11.867 1.00 0.00 C ATOM 572 CD GLN A 41 4.233 -5.795 -11.679 1.00 0.00 C ATOM 573 OE1 GLN A 41 4.928 -6.281 -10.786 1.00 0.00 O ATOM 574 NE2 GLN A 41 3.529 -6.541 -12.523 1.00 0.00 N ATOM 0 H GLN A 41 2.776 -2.562 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 41 4.922 -4.370 -9.312 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.583 -4.161 -10.408 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.131 -2.612 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.588 -4.079 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.146 -3.887 -12.000 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.966 -6.097 -13.249 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.551 -7.558 -12.445 1.00 0.00 H new ATOM 583 N ALA A 42 4.890 -1.099 -9.846 1.00 0.00 N ATOM 584 CA ALA A 42 5.750 0.054 -10.079 1.00 0.00 C ATOM 585 C ALA A 42 5.026 1.355 -9.746 1.00 0.00 C ATOM 586 O ALA A 42 3.812 1.463 -9.920 1.00 0.00 O ATOM 587 CB ALA A 42 6.232 0.070 -11.522 1.00 0.00 C ATOM 0 H ALA A 42 3.895 -0.880 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 42 6.614 -0.029 -9.420 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.873 0.937 -11.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.795 -0.841 -11.728 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.374 0.125 -12.192 1.00 0.00 H new ATOM 593 N VAL A 43 5.779 2.339 -9.266 1.00 0.00 N ATOM 594 CA VAL A 43 5.209 3.633 -8.910 1.00 0.00 C ATOM 595 C VAL A 43 5.463 4.666 -10.002 1.00 0.00 C ATOM 596 O VAL A 43 6.565 4.752 -10.545 1.00 0.00 O ATOM 597 CB VAL A 43 5.788 4.155 -7.581 1.00 0.00 C ATOM 598 CG1 VAL A 43 5.116 5.460 -7.181 1.00 0.00 C ATOM 599 CG2 VAL A 43 5.634 3.109 -6.487 1.00 0.00 C ATOM 0 H VAL A 43 6.785 2.265 -9.115 1.00 0.00 H new ATOM 0 HA VAL A 43 4.135 3.485 -8.797 1.00 0.00 H new ATOM 0 HB VAL A 43 6.851 4.350 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.538 5.813 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.282 6.208 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.045 5.296 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.048 3.494 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.577 2.881 -6.348 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.166 2.202 -6.773 1.00 0.00 H new ATOM 609 N ASP A 44 4.437 5.448 -10.320 1.00 0.00 N ATOM 610 CA ASP A 44 4.550 6.477 -11.347 1.00 0.00 C ATOM 611 C ASP A 44 5.350 7.671 -10.835 1.00 0.00 C ATOM 612 O ASP A 44 5.059 8.214 -9.769 1.00 0.00 O ATOM 613 CB ASP A 44 3.161 6.932 -11.797 1.00 0.00 C ATOM 614 CG ASP A 44 3.175 7.556 -13.178 1.00 0.00 C ATOM 615 OD1 ASP A 44 3.446 8.771 -13.278 1.00 0.00 O ATOM 616 OD2 ASP A 44 2.914 6.829 -14.160 1.00 0.00 O ATOM 0 H ASP A 44 3.518 5.389 -9.881 1.00 0.00 H new ATOM 0 HA ASP A 44 5.077 6.049 -12.199 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.484 6.078 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.768 7.653 -11.080 1.00 0.00 H new ATOM 621 N SER A 45 6.358 8.073 -11.602 1.00 0.00 N ATOM 622 CA SER A 45 7.203 9.200 -11.223 1.00 0.00 C ATOM 623 C SER A 45 6.483 10.523 -11.462 1.00 0.00 C ATOM 624 O SER A 45 6.227 10.906 -12.603 1.00 0.00 O ATOM 625 CB SER A 45 8.514 9.169 -12.012 1.00 0.00 C ATOM 626 OG SER A 45 8.304 9.541 -13.364 1.00 0.00 O ATOM 0 H SER A 45 6.610 7.636 -12.489 1.00 0.00 H new ATOM 0 HA SER A 45 7.425 9.115 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.235 9.846 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.944 8.168 -11.969 1.00 0.00 H new ATOM 0 HG SER A 45 7.652 10.271 -13.405 1.00 0.00 H new ATOM 632 N GLY A 46 6.159 11.218 -10.376 1.00 0.00 N ATOM 633 CA GLY A 46 5.471 12.491 -10.488 1.00 0.00 C ATOM 634 C GLY A 46 3.966 12.332 -10.569 1.00 0.00 C ATOM 635 O GLY A 46 3.304 13.014 -11.350 1.00 0.00 O ATOM 0 H GLY A 46 6.361 10.922 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.722 13.113 -9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.826 13.015 -11.375 1.00 0.00 H new ATOM 639 N GLY A 47 3.423 11.427 -9.760 1.00 0.00 N ATOM 640 CA GLY A 47 1.991 11.195 -9.761 1.00 0.00 C ATOM 641 C GLY A 47 1.376 11.363 -8.386 1.00 0.00 C ATOM 642 O GLY A 47 2.050 11.719 -7.420 1.00 0.00 O ATOM 0 H GLY A 47 3.950 10.850 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.514 11.887 -10.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.789 10.188 -10.125 1.00 0.00 H new ATOM 646 N PRO A 48 0.063 11.105 -8.285 1.00 0.00 N ATOM 647 CA PRO A 48 -0.672 11.223 -7.023 1.00 0.00 C ATOM 648 C PRO A 48 -0.282 10.142 -6.021 1.00 0.00 C ATOM 649 O PRO A 48 -0.428 10.321 -4.812 1.00 0.00 O ATOM 650 CB PRO A 48 -2.134 11.058 -7.447 1.00 0.00 C ATOM 651 CG PRO A 48 -2.075 10.265 -8.706 1.00 0.00 C ATOM 652 CD PRO A 48 -0.804 10.676 -9.396 1.00 0.00 C ATOM 0 HA PRO A 48 -0.465 12.166 -6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.713 10.542 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.611 12.025 -7.610 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.076 9.196 -8.494 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.943 10.466 -9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.364 9.849 -9.953 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.976 11.484 -10.107 1.00 0.00 H new ATOM 660 N ALA A 49 0.214 9.020 -6.531 1.00 0.00 N ATOM 661 CA ALA A 49 0.627 7.911 -5.681 1.00 0.00 C ATOM 662 C ALA A 49 1.932 8.229 -4.959 1.00 0.00 C ATOM 663 O ALA A 49 1.977 8.274 -3.730 1.00 0.00 O ATOM 664 CB ALA A 49 0.774 6.640 -6.504 1.00 0.00 C ATOM 0 H ALA A 49 0.340 8.855 -7.530 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.146 7.756 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.083 5.820 -5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.181 6.395 -6.969 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.526 6.793 -7.278 1.00 0.00 H new ATOM 670 N GLU A 50 2.992 8.448 -5.731 1.00 0.00 N ATOM 671 CA GLU A 50 4.298 8.760 -5.163 1.00 0.00 C ATOM 672 C GLU A 50 4.238 10.037 -4.329 1.00 0.00 C ATOM 673 O GLU A 50 4.518 10.021 -3.130 1.00 0.00 O ATOM 674 CB GLU A 50 5.339 8.914 -6.274 1.00 0.00 C ATOM 675 CG GLU A 50 6.763 8.649 -5.815 1.00 0.00 C ATOM 676 CD GLU A 50 7.462 9.904 -5.329 1.00 0.00 C ATOM 677 OE1 GLU A 50 7.954 10.675 -6.180 1.00 0.00 O ATOM 678 OE2 GLU A 50 7.517 10.115 -4.100 1.00 0.00 O ATOM 0 H GLU A 50 2.972 8.415 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 50 4.589 7.935 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.095 8.230 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.279 9.924 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.751 7.911 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.332 8.216 -6.638 1.00 0.00 H new ATOM 685 N ARG A 51 3.871 11.140 -4.972 1.00 0.00 N ATOM 686 CA ARG A 51 3.775 12.426 -4.291 1.00 0.00 C ATOM 687 C ARG A 51 3.156 12.262 -2.906 1.00 0.00 C ATOM 688 O ARG A 51 3.600 12.882 -1.939 1.00 0.00 O ATOM 689 CB ARG A 51 2.944 13.406 -5.120 1.00 0.00 C ATOM 690 CG ARG A 51 3.662 13.918 -6.358 1.00 0.00 C ATOM 691 CD ARG A 51 2.954 15.124 -6.954 1.00 0.00 C ATOM 692 NE ARG A 51 3.003 16.282 -6.066 1.00 0.00 N ATOM 693 CZ ARG A 51 2.077 16.546 -5.151 1.00 0.00 C ATOM 694 NH1 ARG A 51 1.036 15.738 -5.004 1.00 0.00 N ATOM 695 NH2 ARG A 51 2.192 17.620 -4.380 1.00 0.00 N ATOM 0 H ARG A 51 3.635 11.169 -5.964 1.00 0.00 H new ATOM 0 HA ARG A 51 4.783 12.824 -4.175 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.018 12.918 -5.423 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.667 14.254 -4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.687 14.187 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.718 13.123 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.414 15.379 -7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.914 14.869 -7.160 1.00 0.00 H new ATOM 0 HE ARG A 51 3.791 16.923 -6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.945 14.911 -5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.326 15.943 -4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.992 18.243 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.481 17.822 -3.678 1.00 0.00 H new ATOM 709 N ALA A 52 2.129 11.424 -2.818 1.00 0.00 N ATOM 710 CA ALA A 52 1.450 11.178 -1.552 1.00 0.00 C ATOM 711 C ALA A 52 2.363 10.450 -0.571 1.00 0.00 C ATOM 712 O ALA A 52 2.397 10.771 0.616 1.00 0.00 O ATOM 713 CB ALA A 52 0.176 10.378 -1.783 1.00 0.00 C ATOM 0 H ALA A 52 1.749 10.904 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 52 1.187 12.142 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.321 10.202 -0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.490 10.936 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.425 9.422 -2.245 1.00 0.00 H new ATOM 719 N GLY A 53 3.102 9.467 -1.076 1.00 0.00 N ATOM 720 CA GLY A 53 4.005 8.708 -0.231 1.00 0.00 C ATOM 721 C GLY A 53 3.919 7.216 -0.482 1.00 0.00 C ATOM 722 O GLY A 53 3.942 6.418 0.456 1.00 0.00 O ATOM 0 H GLY A 53 3.091 9.183 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.027 9.044 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.775 8.911 0.815 1.00 0.00 H new ATOM 726 N LEU A 54 3.819 6.837 -1.752 1.00 0.00 N ATOM 727 CA LEU A 54 3.728 5.430 -2.125 1.00 0.00 C ATOM 728 C LEU A 54 5.081 4.900 -2.587 1.00 0.00 C ATOM 729 O LEU A 54 5.779 5.549 -3.366 1.00 0.00 O ATOM 730 CB LEU A 54 2.689 5.242 -3.232 1.00 0.00 C ATOM 731 CG LEU A 54 1.964 3.896 -3.250 1.00 0.00 C ATOM 732 CD1 LEU A 54 0.730 3.966 -4.136 1.00 0.00 C ATOM 733 CD2 LEU A 54 2.899 2.792 -3.721 1.00 0.00 C ATOM 0 H LEU A 54 3.799 7.484 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 54 3.419 4.866 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.944 6.032 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.183 5.379 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 54 1.644 3.664 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.227 2.999 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.051 4.728 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.027 4.221 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.366 1.841 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.250 3.018 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.752 2.725 -3.046 1.00 0.00 H new ATOM 745 N GLN A 55 5.444 3.716 -2.103 1.00 0.00 N ATOM 746 CA GLN A 55 6.714 3.099 -2.468 1.00 0.00 C ATOM 747 C GLN A 55 6.487 1.805 -3.242 1.00 0.00 C ATOM 748 O GLN A 55 5.538 1.069 -2.974 1.00 0.00 O ATOM 749 CB GLN A 55 7.548 2.819 -1.216 1.00 0.00 C ATOM 750 CG GLN A 55 9.036 2.680 -1.495 1.00 0.00 C ATOM 751 CD GLN A 55 9.775 3.999 -1.384 1.00 0.00 C ATOM 752 OE1 GLN A 55 10.267 4.533 -2.379 1.00 0.00 O ATOM 753 NE2 GLN A 55 9.856 4.533 -0.171 1.00 0.00 N ATOM 0 H GLN A 55 4.877 3.166 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 55 7.256 3.794 -3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.395 3.626 -0.500 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.188 1.904 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.468 1.965 -0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.178 2.271 -2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.434 4.056 0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.341 5.420 -0.036 1.00 0.00 H new ATOM 762 N GLN A 56 7.365 1.534 -4.203 1.00 0.00 N ATOM 763 CA GLN A 56 7.258 0.329 -5.017 1.00 0.00 C ATOM 764 C GLN A 56 7.728 -0.896 -4.239 1.00 0.00 C ATOM 765 O GLN A 56 8.557 -0.790 -3.335 1.00 0.00 O ATOM 766 CB GLN A 56 8.080 0.480 -6.299 1.00 0.00 C ATOM 767 CG GLN A 56 9.572 0.631 -6.051 1.00 0.00 C ATOM 768 CD GLN A 56 10.359 0.834 -7.331 1.00 0.00 C ATOM 769 OE1 GLN A 56 11.130 1.786 -7.455 1.00 0.00 O ATOM 770 NE2 GLN A 56 10.168 -0.063 -8.291 1.00 0.00 N ATOM 0 H GLN A 56 8.157 2.132 -4.437 1.00 0.00 H new ATOM 0 HA GLN A 56 6.209 0.190 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.912 -0.390 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.722 1.350 -6.850 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.742 1.478 -5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.943 -0.256 -5.538 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.519 -0.836 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.670 0.021 -9.175 1.00 0.00 H new ATOM 779 N LEU A 57 7.192 -2.058 -4.597 1.00 0.00 N ATOM 780 CA LEU A 57 7.556 -3.305 -3.932 1.00 0.00 C ATOM 781 C LEU A 57 6.995 -3.349 -2.514 1.00 0.00 C ATOM 782 O LEU A 57 7.655 -3.823 -1.589 1.00 0.00 O ATOM 783 CB LEU A 57 9.077 -3.461 -3.896 1.00 0.00 C ATOM 784 CG LEU A 57 9.812 -3.173 -5.205 1.00 0.00 C ATOM 785 CD1 LEU A 57 11.309 -3.057 -4.962 1.00 0.00 C ATOM 786 CD2 LEU A 57 9.519 -4.258 -6.232 1.00 0.00 C ATOM 0 H LEU A 57 6.505 -2.163 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 57 7.126 -4.130 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.472 -2.797 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.311 -4.480 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 57 9.453 -2.222 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.816 -2.852 -5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.502 -2.244 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.683 -3.992 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.051 -4.036 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.849 -5.223 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.447 -4.293 -6.429 1.00 0.00 H new ATOM 798 N ASP A 58 5.772 -2.856 -2.351 1.00 0.00 N ATOM 799 CA ASP A 58 5.121 -2.842 -1.047 1.00 0.00 C ATOM 800 C ASP A 58 4.009 -3.885 -0.984 1.00 0.00 C ATOM 801 O ASP A 58 3.346 -4.164 -1.984 1.00 0.00 O ATOM 802 CB ASP A 58 4.551 -1.454 -0.752 1.00 0.00 C ATOM 803 CG ASP A 58 5.634 -0.435 -0.455 1.00 0.00 C ATOM 804 OD1 ASP A 58 6.783 -0.849 -0.193 1.00 0.00 O ATOM 805 OD2 ASP A 58 5.332 0.776 -0.487 1.00 0.00 O ATOM 0 H ASP A 58 5.212 -2.461 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 58 5.869 -3.087 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.963 -1.117 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.872 -1.516 0.098 1.00 0.00 H new ATOM 810 N THR A 59 3.811 -4.461 0.198 1.00 0.00 N ATOM 811 CA THR A 59 2.782 -5.475 0.391 1.00 0.00 C ATOM 812 C THR A 59 1.507 -4.863 0.961 1.00 0.00 C ATOM 813 O THR A 59 1.550 -4.102 1.927 1.00 0.00 O ATOM 814 CB THR A 59 3.266 -6.594 1.333 1.00 0.00 C ATOM 815 OG1 THR A 59 4.430 -7.225 0.787 1.00 0.00 O ATOM 816 CG2 THR A 59 2.174 -7.631 1.547 1.00 0.00 C ATOM 0 H THR A 59 4.350 -4.242 1.036 1.00 0.00 H new ATOM 0 HA THR A 59 2.570 -5.901 -0.590 1.00 0.00 H new ATOM 0 HB THR A 59 3.514 -6.147 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.732 -7.934 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.539 -8.411 2.215 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.300 -7.153 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.899 -8.073 0.589 1.00 0.00 H new ATOM 824 N VAL A 60 0.373 -5.201 0.356 1.00 0.00 N ATOM 825 CA VAL A 60 -0.915 -4.686 0.804 1.00 0.00 C ATOM 826 C VAL A 60 -1.482 -5.535 1.937 1.00 0.00 C ATOM 827 O VAL A 60 -1.723 -6.731 1.770 1.00 0.00 O ATOM 828 CB VAL A 60 -1.934 -4.643 -0.350 1.00 0.00 C ATOM 829 CG1 VAL A 60 -3.168 -3.851 0.056 1.00 0.00 C ATOM 830 CG2 VAL A 60 -1.299 -4.051 -1.599 1.00 0.00 C ATOM 0 H VAL A 60 0.320 -5.829 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.743 -3.672 1.165 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.244 -5.663 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.877 -3.832 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.634 -4.322 0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.879 -2.831 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.033 -4.028 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.959 -3.037 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.449 -4.663 -1.900 1.00 0.00 H new ATOM 840 N LEU A 61 -1.694 -4.908 3.088 1.00 0.00 N ATOM 841 CA LEU A 61 -2.234 -5.605 4.250 1.00 0.00 C ATOM 842 C LEU A 61 -3.757 -5.514 4.281 1.00 0.00 C ATOM 843 O LEU A 61 -4.448 -6.531 4.297 1.00 0.00 O ATOM 844 CB LEU A 61 -1.651 -5.020 5.538 1.00 0.00 C ATOM 845 CG LEU A 61 -0.167 -5.293 5.786 1.00 0.00 C ATOM 846 CD1 LEU A 61 0.234 -4.835 7.180 1.00 0.00 C ATOM 847 CD2 LEU A 61 0.142 -6.771 5.599 1.00 0.00 C ATOM 0 H LEU A 61 -1.500 -3.918 3.242 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.952 -6.655 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.805 -3.941 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.218 -5.413 6.382 1.00 0.00 H new ATOM 0 HG LEU A 61 0.414 -4.726 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.293 -5.037 7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.050 -3.765 7.278 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.354 -5.374 7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.203 -6.947 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.448 -7.358 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.107 -7.069 4.580 1.00 0.00 H new ATOM 859 N GLN A 62 -4.271 -4.288 4.288 1.00 0.00 N ATOM 860 CA GLN A 62 -5.711 -4.064 4.316 1.00 0.00 C ATOM 861 C GLN A 62 -6.089 -2.847 3.479 1.00 0.00 C ATOM 862 O GLN A 62 -5.561 -1.752 3.682 1.00 0.00 O ATOM 863 CB GLN A 62 -6.192 -3.878 5.756 1.00 0.00 C ATOM 864 CG GLN A 62 -5.655 -2.619 6.419 1.00 0.00 C ATOM 865 CD GLN A 62 -5.910 -2.592 7.913 1.00 0.00 C ATOM 866 OE1 GLN A 62 -5.131 -2.023 8.677 1.00 0.00 O ATOM 867 NE2 GLN A 62 -7.007 -3.209 8.338 1.00 0.00 N ATOM 0 H GLN A 62 -3.712 -3.435 4.275 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.198 -4.941 3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.282 -3.847 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.893 -4.745 6.345 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.583 -2.546 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.117 -1.745 5.959 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.625 -3.668 7.669 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.231 -3.223 9.333 1.00 0.00 H new ATOM 876 N LEU A 63 -7.006 -3.043 2.538 1.00 0.00 N ATOM 877 CA LEU A 63 -7.455 -1.960 1.669 1.00 0.00 C ATOM 878 C LEU A 63 -8.774 -1.376 2.164 1.00 0.00 C ATOM 879 O LEU A 63 -9.717 -2.109 2.458 1.00 0.00 O ATOM 880 CB LEU A 63 -7.614 -2.465 0.234 1.00 0.00 C ATOM 881 CG LEU A 63 -7.893 -1.398 -0.825 1.00 0.00 C ATOM 882 CD1 LEU A 63 -9.359 -0.992 -0.801 1.00 0.00 C ATOM 883 CD2 LEU A 63 -6.999 -0.186 -0.610 1.00 0.00 C ATOM 0 H LEU A 63 -7.453 -3.942 2.357 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.701 -1.173 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.705 -2.997 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.427 -3.191 0.213 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.670 -1.820 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.539 -0.232 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.981 -1.863 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.609 -0.589 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.212 0.563 -1.373 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.190 0.237 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.954 -0.488 -0.679 1.00 0.00 H new ATOM 895 N ASN A 64 -8.832 -0.051 2.253 1.00 0.00 N ATOM 896 CA ASN A 64 -10.036 0.632 2.711 1.00 0.00 C ATOM 897 C ASN A 64 -10.470 0.112 4.078 1.00 0.00 C ATOM 898 O ASN A 64 -11.661 -0.046 4.343 1.00 0.00 O ATOM 899 CB ASN A 64 -11.169 0.446 1.699 1.00 0.00 C ATOM 900 CG ASN A 64 -11.003 1.328 0.477 1.00 0.00 C ATOM 901 OD1 ASN A 64 -11.982 1.715 -0.161 1.00 0.00 O ATOM 902 ND2 ASN A 64 -9.758 1.651 0.145 1.00 0.00 N ATOM 0 H ASN A 64 -8.059 0.571 2.014 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.809 1.694 2.801 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.207 -0.598 1.388 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.122 0.670 2.179 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.584 2.242 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.976 1.308 0.703 1.00 0.00 H new ATOM 909 N GLU A 65 -9.495 -0.152 4.941 1.00 0.00 N ATOM 910 CA GLU A 65 -9.776 -0.655 6.281 1.00 0.00 C ATOM 911 C GLU A 65 -10.413 -2.040 6.220 1.00 0.00 C ATOM 912 O GLU A 65 -11.220 -2.403 7.076 1.00 0.00 O ATOM 913 CB GLU A 65 -10.699 0.310 7.028 1.00 0.00 C ATOM 914 CG GLU A 65 -10.123 1.707 7.182 1.00 0.00 C ATOM 915 CD GLU A 65 -11.056 2.645 7.923 1.00 0.00 C ATOM 916 OE1 GLU A 65 -11.660 2.210 8.926 1.00 0.00 O ATOM 917 OE2 GLU A 65 -11.182 3.814 7.501 1.00 0.00 O ATOM 0 H GLU A 65 -8.504 -0.026 4.737 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.831 -0.732 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -11.649 0.374 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.913 -0.097 8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.174 1.648 7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.909 2.118 6.196 1.00 0.00 H new ATOM 924 N ARG A 66 -10.046 -2.809 5.200 1.00 0.00 N ATOM 925 CA ARG A 66 -10.582 -4.154 5.025 1.00 0.00 C ATOM 926 C ARG A 66 -9.459 -5.162 4.797 1.00 0.00 C ATOM 927 O ARG A 66 -8.427 -4.854 4.201 1.00 0.00 O ATOM 928 CB ARG A 66 -11.558 -4.187 3.848 1.00 0.00 C ATOM 929 CG ARG A 66 -12.879 -3.491 4.132 1.00 0.00 C ATOM 930 CD ARG A 66 -13.811 -4.375 4.946 1.00 0.00 C ATOM 931 NE ARG A 66 -14.551 -5.312 4.104 1.00 0.00 N ATOM 932 CZ ARG A 66 -15.272 -6.319 4.583 1.00 0.00 C ATOM 933 NH1 ARG A 66 -15.351 -6.518 5.892 1.00 0.00 N ATOM 934 NH2 ARG A 66 -15.916 -7.129 3.753 1.00 0.00 N ATOM 0 H ARG A 66 -9.380 -2.524 4.482 1.00 0.00 H new ATOM 0 HA ARG A 66 -11.113 -4.428 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -11.088 -3.717 2.984 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.754 -5.225 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.693 -2.562 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.360 -3.223 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.232 -4.930 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.514 -3.750 5.497 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.512 -5.186 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.857 -5.897 6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.905 -7.292 6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.858 -6.979 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.470 -7.902 4.122 1.00 0.00 H new ATOM 948 N PRO A 67 -9.663 -6.395 5.283 1.00 0.00 N ATOM 949 CA PRO A 67 -8.679 -7.473 5.144 1.00 0.00 C ATOM 950 C PRO A 67 -8.547 -7.956 3.704 1.00 0.00 C ATOM 951 O PRO A 67 -9.470 -8.556 3.152 1.00 0.00 O ATOM 952 CB PRO A 67 -9.245 -8.585 6.031 1.00 0.00 C ATOM 953 CG PRO A 67 -10.711 -8.326 6.075 1.00 0.00 C ATOM 954 CD PRO A 67 -10.870 -6.833 6.004 1.00 0.00 C ATOM 0 HA PRO A 67 -7.677 -7.150 5.428 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.029 -9.570 5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.808 -8.556 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.218 -8.813 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.150 -8.722 6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.779 -6.551 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.929 -6.387 6.997 1.00 0.00 H new ATOM 962 N VAL A 68 -7.394 -7.690 3.099 1.00 0.00 N ATOM 963 CA VAL A 68 -7.140 -8.099 1.722 1.00 0.00 C ATOM 964 C VAL A 68 -5.834 -8.877 1.612 1.00 0.00 C ATOM 965 O VAL A 68 -5.280 -9.027 0.523 1.00 0.00 O ATOM 966 CB VAL A 68 -7.084 -6.884 0.777 1.00 0.00 C ATOM 967 CG1 VAL A 68 -8.315 -6.010 0.957 1.00 0.00 C ATOM 968 CG2 VAL A 68 -5.812 -6.084 1.015 1.00 0.00 C ATOM 0 H VAL A 68 -6.620 -7.193 3.541 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.968 -8.742 1.425 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.073 -7.245 -0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.257 -5.157 0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.210 -6.591 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.362 -5.655 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.788 -5.229 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.791 -5.732 2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.944 -6.717 0.830 1.00 0.00 H new ATOM 978 N GLU A 69 -5.347 -9.370 2.746 1.00 0.00 N ATOM 979 CA GLU A 69 -4.104 -10.132 2.776 1.00 0.00 C ATOM 980 C GLU A 69 -4.214 -11.385 1.912 1.00 0.00 C ATOM 981 O GLU A 69 -3.224 -11.854 1.350 1.00 0.00 O ATOM 982 CB GLU A 69 -3.752 -10.520 4.214 1.00 0.00 C ATOM 983 CG GLU A 69 -2.257 -10.623 4.468 1.00 0.00 C ATOM 984 CD GLU A 69 -1.701 -11.991 4.125 1.00 0.00 C ATOM 985 OE1 GLU A 69 -1.878 -12.923 4.937 1.00 0.00 O ATOM 986 OE2 GLU A 69 -1.089 -12.130 3.045 1.00 0.00 O ATOM 0 H GLU A 69 -5.794 -9.256 3.656 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.311 -9.502 2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.178 -9.783 4.895 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.219 -11.477 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.739 -9.866 3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.054 -10.405 5.517 1.00 0.00 H new ATOM 993 N HIS A 70 -5.425 -11.923 1.812 1.00 0.00 N ATOM 994 CA HIS A 70 -5.666 -13.122 1.017 1.00 0.00 C ATOM 995 C HIS A 70 -6.468 -12.791 -0.238 1.00 0.00 C ATOM 996 O HIS A 70 -7.211 -13.628 -0.750 1.00 0.00 O ATOM 997 CB HIS A 70 -6.406 -14.171 1.848 1.00 0.00 C ATOM 998 CG HIS A 70 -6.658 -15.450 1.111 1.00 0.00 C ATOM 999 ND1 HIS A 70 -5.647 -16.295 0.703 1.00 0.00 N ATOM 1000 CD2 HIS A 70 -7.814 -16.028 0.710 1.00 0.00 C ATOM 1001 CE1 HIS A 70 -6.171 -17.337 0.082 1.00 0.00 C ATOM 1002 NE2 HIS A 70 -7.485 -17.199 0.073 1.00 0.00 N ATOM 0 H HIS A 70 -6.255 -11.548 2.271 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.700 -13.526 0.713 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.826 -14.387 2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.359 -13.756 2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.810 -15.640 0.863 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.619 -18.161 -0.345 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.147 -17.856 -0.340 1.00 0.00 H new ATOM 1011 N TRP A 71 -6.313 -11.565 -0.726 1.00 0.00 N ATOM 1012 CA TRP A 71 -7.025 -11.123 -1.920 1.00 0.00 C ATOM 1013 C TRP A 71 -6.096 -11.097 -3.129 1.00 0.00 C ATOM 1014 O TRP A 71 -4.915 -10.767 -3.010 1.00 0.00 O ATOM 1015 CB TRP A 71 -7.628 -9.736 -1.695 1.00 0.00 C ATOM 1016 CG TRP A 71 -8.779 -9.737 -0.735 1.00 0.00 C ATOM 1017 CD1 TRP A 71 -9.069 -10.694 0.195 1.00 0.00 C ATOM 1018 CD2 TRP A 71 -9.794 -8.735 -0.612 1.00 0.00 C ATOM 1019 NE1 TRP A 71 -10.204 -10.347 0.888 1.00 0.00 N ATOM 1020 CE2 TRP A 71 -10.667 -9.149 0.413 1.00 0.00 C ATOM 1021 CE3 TRP A 71 -10.049 -7.527 -1.267 1.00 0.00 C ATOM 1022 CZ2 TRP A 71 -11.775 -8.398 0.795 1.00 0.00 C ATOM 1023 CZ3 TRP A 71 -11.150 -6.783 -0.887 1.00 0.00 C ATOM 1024 CH2 TRP A 71 -12.001 -7.220 0.136 1.00 0.00 C ATOM 0 H TRP A 71 -5.702 -10.860 -0.314 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.828 -11.833 -2.118 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.853 -9.067 -1.321 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.962 -9.334 -2.651 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -8.492 -11.591 0.361 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.632 -10.893 1.635 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.397 -7.181 -2.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.433 -8.733 1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.358 -5.849 -1.387 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.853 -6.615 0.410 1.00 0.00 H new ATOM 1035 N LYS A 72 -6.635 -11.447 -4.292 1.00 0.00 N ATOM 1036 CA LYS A 72 -5.855 -11.462 -5.523 1.00 0.00 C ATOM 1037 C LYS A 72 -6.000 -10.143 -6.276 1.00 0.00 C ATOM 1038 O LYS A 72 -7.027 -9.471 -6.176 1.00 0.00 O ATOM 1039 CB LYS A 72 -6.297 -12.623 -6.417 1.00 0.00 C ATOM 1040 CG LYS A 72 -6.177 -13.983 -5.752 1.00 0.00 C ATOM 1041 CD LYS A 72 -6.012 -15.093 -6.777 1.00 0.00 C ATOM 1042 CE LYS A 72 -6.603 -16.403 -6.279 1.00 0.00 C ATOM 1043 NZ LYS A 72 -5.734 -17.051 -5.258 1.00 0.00 N ATOM 0 H LYS A 72 -7.610 -11.724 -4.407 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.806 -11.595 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.333 -12.465 -6.718 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.697 -12.619 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.324 -13.983 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.064 -14.173 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.498 -14.804 -7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.954 -15.231 -6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.589 -16.218 -5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.743 -17.082 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.172 -17.941 -4.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.801 -17.251 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.621 -16.414 -4.443 1.00 0.00 H new ATOM 1057 N CYS A 73 -4.967 -9.781 -7.029 1.00 0.00 N ATOM 1058 CA CYS A 73 -4.981 -8.542 -7.799 1.00 0.00 C ATOM 1059 C CYS A 73 -6.386 -8.232 -8.305 1.00 0.00 C ATOM 1060 O CYS A 73 -6.848 -7.094 -8.226 1.00 0.00 O ATOM 1061 CB CYS A 73 -4.011 -8.639 -8.977 1.00 0.00 C ATOM 1062 SG CYS A 73 -4.181 -7.306 -10.186 1.00 0.00 S ATOM 0 H CYS A 73 -4.110 -10.327 -7.123 1.00 0.00 H new ATOM 0 HA CYS A 73 -4.664 -7.731 -7.143 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.990 -8.640 -8.594 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.163 -9.593 -9.481 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.180 -7.342 -11.015 1.00 0.00 H new ATOM 1068 N VAL A 74 -7.059 -9.251 -8.828 1.00 0.00 N ATOM 1069 CA VAL A 74 -8.411 -9.088 -9.348 1.00 0.00 C ATOM 1070 C VAL A 74 -9.394 -8.755 -8.231 1.00 0.00 C ATOM 1071 O VAL A 74 -10.082 -7.736 -8.281 1.00 0.00 O ATOM 1072 CB VAL A 74 -8.890 -10.358 -10.076 1.00 0.00 C ATOM 1073 CG1 VAL A 74 -10.314 -10.180 -10.580 1.00 0.00 C ATOM 1074 CG2 VAL A 74 -7.949 -10.702 -11.221 1.00 0.00 C ATOM 0 H VAL A 74 -6.690 -10.199 -8.903 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.379 -8.261 -10.058 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.882 -11.187 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.635 -11.087 -11.092 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.977 -9.985 -9.737 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.352 -9.340 -11.273 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.302 -11.602 -11.724 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.923 -9.875 -11.931 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.947 -10.875 -10.829 1.00 0.00 H new ATOM 1084 N GLU A 75 -9.452 -9.621 -7.224 1.00 0.00 N ATOM 1085 CA GLU A 75 -10.351 -9.418 -6.094 1.00 0.00 C ATOM 1086 C GLU A 75 -10.161 -8.030 -5.490 1.00 0.00 C ATOM 1087 O GLU A 75 -11.130 -7.317 -5.226 1.00 0.00 O ATOM 1088 CB GLU A 75 -10.114 -10.488 -5.026 1.00 0.00 C ATOM 1089 CG GLU A 75 -10.966 -11.732 -5.212 1.00 0.00 C ATOM 1090 CD GLU A 75 -10.360 -12.712 -6.198 1.00 0.00 C ATOM 1091 OE1 GLU A 75 -9.675 -12.260 -7.139 1.00 0.00 O ATOM 1092 OE2 GLU A 75 -10.572 -13.931 -6.029 1.00 0.00 O ATOM 0 H GLU A 75 -8.888 -10.469 -7.168 1.00 0.00 H new ATOM 0 HA GLU A 75 -11.375 -9.500 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.062 -10.773 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.319 -10.061 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.097 -12.225 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.958 -11.440 -5.558 1.00 0.00 H new ATOM 1099 N LEU A 76 -8.906 -7.653 -5.273 1.00 0.00 N ATOM 1100 CA LEU A 76 -8.587 -6.350 -4.699 1.00 0.00 C ATOM 1101 C LEU A 76 -8.884 -5.230 -5.691 1.00 0.00 C ATOM 1102 O LEU A 76 -9.694 -4.345 -5.419 1.00 0.00 O ATOM 1103 CB LEU A 76 -7.115 -6.301 -4.283 1.00 0.00 C ATOM 1104 CG LEU A 76 -6.665 -5.032 -3.558 1.00 0.00 C ATOM 1105 CD1 LEU A 76 -7.624 -4.695 -2.426 1.00 0.00 C ATOM 1106 CD2 LEU A 76 -5.248 -5.195 -3.028 1.00 0.00 C ATOM 0 H LEU A 76 -8.093 -8.231 -5.486 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.213 -6.205 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.912 -7.156 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.501 -6.423 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.673 -4.207 -4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.288 -3.789 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.623 -4.535 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.649 -5.519 -1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.944 -4.282 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.214 -6.032 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.569 -5.388 -3.858 1.00 0.00 H new ATOM 1118 N ALA A 77 -8.225 -5.278 -6.844 1.00 0.00 N ATOM 1119 CA ALA A 77 -8.422 -4.270 -7.879 1.00 0.00 C ATOM 1120 C ALA A 77 -9.872 -3.801 -7.919 1.00 0.00 C ATOM 1121 O ALA A 77 -10.148 -2.625 -8.160 1.00 0.00 O ATOM 1122 CB ALA A 77 -8.005 -4.818 -9.236 1.00 0.00 C ATOM 0 H ALA A 77 -7.550 -6.004 -7.085 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.796 -3.411 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.158 -4.055 -9.999 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.952 -5.097 -9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.607 -5.695 -9.475 1.00 0.00 H new ATOM 1128 N HIS A 78 -10.796 -4.727 -7.683 1.00 0.00 N ATOM 1129 CA HIS A 78 -12.219 -4.407 -7.692 1.00 0.00 C ATOM 1130 C HIS A 78 -12.529 -3.282 -6.709 1.00 0.00 C ATOM 1131 O HIS A 78 -13.214 -2.319 -7.050 1.00 0.00 O ATOM 1132 CB HIS A 78 -13.044 -5.646 -7.345 1.00 0.00 C ATOM 1133 CG HIS A 78 -14.521 -5.441 -7.486 1.00 0.00 C ATOM 1134 ND1 HIS A 78 -15.346 -5.152 -6.420 1.00 0.00 N ATOM 1135 CD2 HIS A 78 -15.320 -5.484 -8.577 1.00 0.00 C ATOM 1136 CE1 HIS A 78 -16.589 -5.027 -6.849 1.00 0.00 C ATOM 1137 NE2 HIS A 78 -16.600 -5.223 -8.155 1.00 0.00 N ATOM 0 H HIS A 78 -10.585 -5.705 -7.483 1.00 0.00 H new ATOM 0 HA HIS A 78 -12.485 -4.073 -8.695 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -12.737 -6.469 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -12.823 -5.944 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -15.009 -5.686 -9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -17.450 -4.803 -6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -17.425 -5.186 -8.753 1.00 0.00 H new ATOM 1146 N GLU A 79 -12.021 -3.413 -5.487 1.00 0.00 N ATOM 1147 CA GLU A 79 -12.246 -2.408 -4.455 1.00 0.00 C ATOM 1148 C GLU A 79 -11.588 -1.084 -4.832 1.00 0.00 C ATOM 1149 O GLU A 79 -12.228 -0.032 -4.809 1.00 0.00 O ATOM 1150 CB GLU A 79 -11.703 -2.896 -3.110 1.00 0.00 C ATOM 1151 CG GLU A 79 -12.465 -2.352 -1.913 1.00 0.00 C ATOM 1152 CD GLU A 79 -12.786 -0.876 -2.048 1.00 0.00 C ATOM 1153 OE1 GLU A 79 -11.851 -0.084 -2.282 1.00 0.00 O ATOM 1154 OE2 GLU A 79 -13.975 -0.515 -1.919 1.00 0.00 O ATOM 0 H GLU A 79 -11.451 -4.205 -5.188 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.321 -2.248 -4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.737 -3.985 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.655 -2.608 -3.025 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.392 -2.912 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.876 -2.511 -1.009 1.00 0.00 H new ATOM 1161 N ILE A 80 -10.306 -1.145 -5.177 1.00 0.00 N ATOM 1162 CA ILE A 80 -9.562 0.049 -5.559 1.00 0.00 C ATOM 1163 C ILE A 80 -10.317 0.855 -6.611 1.00 0.00 C ATOM 1164 O ILE A 80 -10.458 2.072 -6.491 1.00 0.00 O ATOM 1165 CB ILE A 80 -8.167 -0.309 -6.106 1.00 0.00 C ATOM 1166 CG1 ILE A 80 -7.352 -1.047 -5.042 1.00 0.00 C ATOM 1167 CG2 ILE A 80 -7.440 0.946 -6.563 1.00 0.00 C ATOM 1168 CD1 ILE A 80 -6.069 -1.647 -5.573 1.00 0.00 C ATOM 0 H ILE A 80 -9.762 -2.007 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.447 0.651 -4.658 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.288 -0.968 -6.966 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.113 -0.355 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.964 -1.840 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.456 0.677 -6.947 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.016 1.434 -7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.327 1.628 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.543 -2.154 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.301 -2.364 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.437 -0.856 -5.977 1.00 0.00 H new ATOM 1180 N ARG A 81 -10.801 0.167 -7.640 1.00 0.00 N ATOM 1181 CA ARG A 81 -11.542 0.819 -8.713 1.00 0.00 C ATOM 1182 C ARG A 81 -12.939 1.217 -8.244 1.00 0.00 C ATOM 1183 O ARG A 81 -13.415 2.313 -8.540 1.00 0.00 O ATOM 1184 CB ARG A 81 -11.644 -0.106 -9.926 1.00 0.00 C ATOM 1185 CG ARG A 81 -10.365 -0.183 -10.743 1.00 0.00 C ATOM 1186 CD ARG A 81 -10.196 1.040 -11.631 1.00 0.00 C ATOM 1187 NE ARG A 81 -11.261 1.146 -12.624 1.00 0.00 N ATOM 1188 CZ ARG A 81 -12.396 1.805 -12.418 1.00 0.00 C ATOM 1189 NH1 ARG A 81 -12.612 2.413 -11.260 1.00 0.00 N ATOM 1190 NH2 ARG A 81 -13.318 1.856 -13.371 1.00 0.00 N ATOM 0 H ARG A 81 -10.693 -0.841 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 81 -11.002 1.722 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.909 -1.107 -9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -12.455 0.239 -10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.509 -0.269 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.379 -1.082 -11.359 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.186 1.938 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -9.232 0.990 -12.137 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.126 0.689 -13.526 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.906 2.375 -10.525 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.484 2.918 -11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.156 1.389 -14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.189 2.362 -13.211 1.00 0.00 H new ATOM 1204 N SER A 82 -13.590 0.319 -7.512 1.00 0.00 N ATOM 1205 CA SER A 82 -14.934 0.575 -7.007 1.00 0.00 C ATOM 1206 C SER A 82 -15.098 2.040 -6.616 1.00 0.00 C ATOM 1207 O SER A 82 -16.123 2.660 -6.903 1.00 0.00 O ATOM 1208 CB SER A 82 -15.228 -0.322 -5.803 1.00 0.00 C ATOM 1209 OG SER A 82 -15.809 -1.548 -6.210 1.00 0.00 O ATOM 0 H SER A 82 -13.209 -0.592 -7.255 1.00 0.00 H new ATOM 0 HA SER A 82 -15.644 0.348 -7.803 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.305 -0.517 -5.257 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.901 0.193 -5.118 1.00 0.00 H new ATOM 0 HG SER A 82 -15.115 -2.132 -6.580 1.00 0.00 H new ATOM 1215 N CYS A 83 -14.081 2.588 -5.959 1.00 0.00 N ATOM 1216 CA CYS A 83 -14.111 3.981 -5.527 1.00 0.00 C ATOM 1217 C CYS A 83 -13.197 4.839 -6.395 1.00 0.00 C ATOM 1218 O CYS A 83 -11.980 4.877 -6.209 1.00 0.00 O ATOM 1219 CB CYS A 83 -13.693 4.090 -4.060 1.00 0.00 C ATOM 1220 SG CYS A 83 -15.041 3.821 -2.886 1.00 0.00 S ATOM 0 H CYS A 83 -13.226 2.089 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 83 -15.132 4.348 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -12.904 3.364 -3.863 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.267 5.078 -3.887 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.588 3.931 -1.672 1.00 0.00 H new ATOM 1226 N PRO A 84 -13.794 5.544 -7.367 1.00 0.00 N ATOM 1227 CA PRO A 84 -13.052 6.414 -8.284 1.00 0.00 C ATOM 1228 C PRO A 84 -12.501 7.654 -7.589 1.00 0.00 C ATOM 1229 O PRO A 84 -11.315 7.964 -7.698 1.00 0.00 O ATOM 1230 CB PRO A 84 -14.101 6.807 -9.327 1.00 0.00 C ATOM 1231 CG PRO A 84 -15.405 6.680 -8.619 1.00 0.00 C ATOM 1232 CD PRO A 84 -15.240 5.546 -7.646 1.00 0.00 C ATOM 0 HA PRO A 84 -12.180 5.913 -8.704 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.942 7.824 -9.684 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.058 6.153 -10.198 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.659 7.605 -8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.212 6.476 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.824 5.706 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.568 4.599 -8.074 1.00 0.00 H new ATOM 1240 N SER A 85 -13.371 8.360 -6.873 1.00 0.00 N ATOM 1241 CA SER A 85 -12.972 9.569 -6.162 1.00 0.00 C ATOM 1242 C SER A 85 -11.609 9.386 -5.501 1.00 0.00 C ATOM 1243 O SER A 85 -10.601 9.902 -5.981 1.00 0.00 O ATOM 1244 CB SER A 85 -14.018 9.935 -5.107 1.00 0.00 C ATOM 1245 OG SER A 85 -15.183 10.472 -5.709 1.00 0.00 O ATOM 0 H SER A 85 -14.356 8.116 -6.770 1.00 0.00 H new ATOM 0 HA SER A 85 -12.899 10.379 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.279 9.050 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.598 10.660 -4.410 1.00 0.00 H new ATOM 0 HG SER A 85 -15.837 10.696 -5.014 1.00 0.00 H new ATOM 1251 N GLU A 86 -11.588 8.647 -4.396 1.00 0.00 N ATOM 1252 CA GLU A 86 -10.350 8.397 -3.668 1.00 0.00 C ATOM 1253 C GLU A 86 -10.344 6.993 -3.071 1.00 0.00 C ATOM 1254 O GLU A 86 -11.389 6.351 -2.957 1.00 0.00 O ATOM 1255 CB GLU A 86 -10.165 9.435 -2.560 1.00 0.00 C ATOM 1256 CG GLU A 86 -9.382 10.661 -2.999 1.00 0.00 C ATOM 1257 CD GLU A 86 -9.435 11.783 -1.980 1.00 0.00 C ATOM 1258 OE1 GLU A 86 -9.480 11.483 -0.769 1.00 0.00 O ATOM 1259 OE2 GLU A 86 -9.433 12.961 -2.395 1.00 0.00 O ATOM 0 H GLU A 86 -12.414 8.211 -3.986 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.522 8.477 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.145 9.750 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.652 8.969 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.343 10.381 -3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.778 11.019 -3.949 1.00 0.00 H new ATOM 1266 N ILE A 87 -9.161 6.521 -2.693 1.00 0.00 N ATOM 1267 CA ILE A 87 -9.019 5.194 -2.108 1.00 0.00 C ATOM 1268 C ILE A 87 -7.916 5.172 -1.056 1.00 0.00 C ATOM 1269 O ILE A 87 -6.836 5.728 -1.262 1.00 0.00 O ATOM 1270 CB ILE A 87 -8.710 4.135 -3.182 1.00 0.00 C ATOM 1271 CG1 ILE A 87 -7.419 4.490 -3.922 1.00 0.00 C ATOM 1272 CG2 ILE A 87 -9.871 4.015 -4.158 1.00 0.00 C ATOM 1273 CD1 ILE A 87 -6.185 3.848 -3.328 1.00 0.00 C ATOM 0 H ILE A 87 -8.286 7.038 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.972 4.954 -1.637 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.573 3.171 -2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.512 4.184 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.293 5.573 -3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.637 3.262 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.771 3.721 -3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.038 4.976 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.308 4.144 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.067 4.173 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.289 2.763 -3.357 1.00 0.00 H new ATOM 1285 N ILE A 88 -8.193 4.526 0.072 1.00 0.00 N ATOM 1286 CA ILE A 88 -7.223 4.429 1.155 1.00 0.00 C ATOM 1287 C ILE A 88 -6.635 3.025 1.243 1.00 0.00 C ATOM 1288 O ILE A 88 -7.339 2.064 1.554 1.00 0.00 O ATOM 1289 CB ILE A 88 -7.854 4.795 2.511 1.00 0.00 C ATOM 1290 CG1 ILE A 88 -8.290 6.261 2.517 1.00 0.00 C ATOM 1291 CG2 ILE A 88 -6.874 4.524 3.642 1.00 0.00 C ATOM 1292 CD1 ILE A 88 -7.134 7.236 2.473 1.00 0.00 C ATOM 0 H ILE A 88 -9.082 4.062 0.259 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.428 5.140 0.930 1.00 0.00 H new ATOM 0 HB ILE A 88 -8.736 4.173 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.940 6.442 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.882 6.452 3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.335 4.788 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.609 3.467 3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.975 5.123 3.496 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.518 8.256 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.495 7.083 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.555 7.073 1.564 1.00 0.00 H new ATOM 1304 N LEU A 89 -5.340 2.913 0.967 1.00 0.00 N ATOM 1305 CA LEU A 89 -4.656 1.626 1.017 1.00 0.00 C ATOM 1306 C LEU A 89 -3.537 1.644 2.054 1.00 0.00 C ATOM 1307 O LEU A 89 -2.782 2.613 2.152 1.00 0.00 O ATOM 1308 CB LEU A 89 -4.086 1.276 -0.359 1.00 0.00 C ATOM 1309 CG LEU A 89 -3.004 2.213 -0.896 1.00 0.00 C ATOM 1310 CD1 LEU A 89 -2.082 1.472 -1.852 1.00 0.00 C ATOM 1311 CD2 LEU A 89 -3.634 3.415 -1.584 1.00 0.00 C ATOM 0 H LEU A 89 -4.743 3.698 0.706 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.383 0.867 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.675 0.267 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.907 1.254 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.410 2.570 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.318 2.155 -2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.604 0.644 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.662 1.085 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.849 4.071 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.253 3.076 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.252 3.960 -0.870 1.00 0.00 H new ATOM 1323 N LEU A 90 -3.434 0.566 2.823 1.00 0.00 N ATOM 1324 CA LEU A 90 -2.405 0.456 3.852 1.00 0.00 C ATOM 1325 C LEU A 90 -1.370 -0.599 3.476 1.00 0.00 C ATOM 1326 O LEU A 90 -1.715 -1.687 3.015 1.00 0.00 O ATOM 1327 CB LEU A 90 -3.039 0.108 5.200 1.00 0.00 C ATOM 1328 CG LEU A 90 -2.067 -0.146 6.353 1.00 0.00 C ATOM 1329 CD1 LEU A 90 -1.532 1.169 6.899 1.00 0.00 C ATOM 1330 CD2 LEU A 90 -2.744 -0.947 7.455 1.00 0.00 C ATOM 0 H LEU A 90 -4.050 -0.244 2.754 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.902 1.419 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.706 0.921 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.657 -0.780 5.070 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.227 -0.727 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.842 0.969 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.009 1.706 6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.361 1.776 7.263 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.037 -1.118 8.267 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.603 -0.393 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.077 -1.905 7.056 1.00 0.00 H new ATOM 1342 N VAL A 91 -0.097 -0.271 3.678 1.00 0.00 N ATOM 1343 CA VAL A 91 0.989 -1.191 3.363 1.00 0.00 C ATOM 1344 C VAL A 91 2.079 -1.139 4.428 1.00 0.00 C ATOM 1345 O VAL A 91 2.070 -0.269 5.298 1.00 0.00 O ATOM 1346 CB VAL A 91 1.612 -0.876 1.990 1.00 0.00 C ATOM 1347 CG1 VAL A 91 0.548 -0.902 0.903 1.00 0.00 C ATOM 1348 CG2 VAL A 91 2.320 0.469 2.023 1.00 0.00 C ATOM 0 H VAL A 91 0.207 0.625 4.058 1.00 0.00 H new ATOM 0 HA VAL A 91 0.558 -2.192 3.336 1.00 0.00 H new ATOM 0 HB VAL A 91 2.351 -1.644 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.006 -0.677 -0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.090 -1.891 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.216 -0.157 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.754 0.676 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.604 1.251 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.110 0.446 2.773 1.00 0.00 H new ATOM 1358 N TRP A 92 3.018 -2.076 4.352 1.00 0.00 N ATOM 1359 CA TRP A 92 4.116 -2.136 5.309 1.00 0.00 C ATOM 1360 C TRP A 92 5.393 -1.557 4.710 1.00 0.00 C ATOM 1361 O TRP A 92 5.750 -1.864 3.572 1.00 0.00 O ATOM 1362 CB TRP A 92 4.355 -3.581 5.752 1.00 0.00 C ATOM 1363 CG TRP A 92 5.604 -3.755 6.562 1.00 0.00 C ATOM 1364 CD1 TRP A 92 6.852 -4.050 6.092 1.00 0.00 C ATOM 1365 CD2 TRP A 92 5.724 -3.646 7.985 1.00 0.00 C ATOM 1366 NE1 TRP A 92 7.740 -4.131 7.137 1.00 0.00 N ATOM 1367 CE2 TRP A 92 7.074 -3.887 8.308 1.00 0.00 C ATOM 1368 CE3 TRP A 92 4.824 -3.367 9.017 1.00 0.00 C ATOM 1369 CZ2 TRP A 92 7.542 -3.857 9.619 1.00 0.00 C ATOM 1370 CZ3 TRP A 92 5.290 -3.338 10.317 1.00 0.00 C ATOM 1371 CH2 TRP A 92 6.639 -3.582 10.609 1.00 0.00 C ATOM 0 H TRP A 92 3.040 -2.804 3.638 1.00 0.00 H new ATOM 0 HA TRP A 92 3.841 -1.538 6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 92 3.501 -3.920 6.338 1.00 0.00 H new ATOM 0 HB3 TRP A 92 4.410 -4.219 4.870 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.104 -4.198 5.052 1.00 0.00 H new ATOM 0 HE1 TRP A 92 8.735 -4.339 7.054 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.783 -3.177 8.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 8.581 -4.044 9.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 4.603 -3.124 11.122 1.00 0.00 H new ATOM 0 HH2 TRP A 92 6.972 -3.552 11.636 1.00 0.00 H new ATOM 1382 N ARG A 93 6.078 -0.720 5.482 1.00 0.00 N ATOM 1383 CA ARG A 93 7.315 -0.098 5.025 1.00 0.00 C ATOM 1384 C ARG A 93 8.420 -0.258 6.066 1.00 0.00 C ATOM 1385 O ARG A 93 8.154 -0.305 7.267 1.00 0.00 O ATOM 1386 CB ARG A 93 7.086 1.386 4.732 1.00 0.00 C ATOM 1387 CG ARG A 93 8.154 2.002 3.842 1.00 0.00 C ATOM 1388 CD ARG A 93 7.684 3.316 3.238 1.00 0.00 C ATOM 1389 NE ARG A 93 6.480 3.148 2.429 1.00 0.00 N ATOM 1390 CZ ARG A 93 5.739 4.161 1.994 1.00 0.00 C ATOM 1391 NH1 ARG A 93 6.078 5.408 2.288 1.00 0.00 N ATOM 1392 NH2 ARG A 93 4.657 3.927 1.263 1.00 0.00 N ATOM 0 H ARG A 93 5.797 -0.457 6.427 1.00 0.00 H new ATOM 0 HA ARG A 93 7.628 -0.598 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 93 6.113 1.508 4.256 1.00 0.00 H new ATOM 0 HB3 ARG A 93 7.050 1.933 5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.061 2.171 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.411 1.305 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 93 7.487 4.032 4.036 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.479 3.736 2.622 1.00 0.00 H new ATOM 0 HE ARG A 93 6.192 2.201 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.910 5.592 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.507 6.184 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.393 2.969 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.089 4.706 0.929 1.00 0.00 H new ATOM 1406 N VAL A 94 9.660 -0.341 5.596 1.00 0.00 N ATOM 1407 CA VAL A 94 10.806 -0.495 6.485 1.00 0.00 C ATOM 1408 C VAL A 94 11.814 0.631 6.282 1.00 0.00 C ATOM 1409 O VAL A 94 12.241 0.901 5.160 1.00 0.00 O ATOM 1410 CB VAL A 94 11.510 -1.846 6.264 1.00 0.00 C ATOM 1411 CG1 VAL A 94 12.733 -1.965 7.161 1.00 0.00 C ATOM 1412 CG2 VAL A 94 10.545 -2.996 6.509 1.00 0.00 C ATOM 0 H VAL A 94 9.897 -0.304 4.605 1.00 0.00 H new ATOM 0 HA VAL A 94 10.423 -0.456 7.505 1.00 0.00 H new ATOM 0 HB VAL A 94 11.844 -1.896 5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 94 13.217 -2.927 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.432 -1.161 6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.427 -1.893 8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.060 -3.943 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.179 -2.951 7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.704 -2.918 5.820 1.00 0.00 H new ATOM 1422 N SER A 95 12.190 1.285 7.376 1.00 0.00 N ATOM 1423 CA SER A 95 13.146 2.384 7.319 1.00 0.00 C ATOM 1424 C SER A 95 14.373 2.083 8.174 1.00 0.00 C ATOM 1425 O SER A 95 14.278 1.961 9.395 1.00 0.00 O ATOM 1426 CB SER A 95 12.490 3.684 7.788 1.00 0.00 C ATOM 1427 OG SER A 95 13.458 4.698 7.997 1.00 0.00 O ATOM 0 H SER A 95 11.847 1.073 8.313 1.00 0.00 H new ATOM 0 HA SER A 95 13.466 2.500 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.764 4.017 7.046 1.00 0.00 H new ATOM 0 HB3 SER A 95 11.941 3.505 8.712 1.00 0.00 H new ATOM 0 HG SER A 95 13.013 5.519 8.295 1.00 0.00 H new ATOM 1433 N GLY A 96 15.526 1.963 7.523 1.00 0.00 N ATOM 1434 CA GLY A 96 16.756 1.677 8.239 1.00 0.00 C ATOM 1435 C GLY A 96 17.782 2.783 8.094 1.00 0.00 C ATOM 1436 O GLY A 96 18.030 3.290 7.000 1.00 0.00 O ATOM 0 H GLY A 96 15.630 2.059 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.532 1.530 9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.179 0.743 7.870 1.00 0.00 H new ATOM 1440 N PRO A 97 18.397 3.176 9.220 1.00 0.00 N ATOM 1441 CA PRO A 97 19.411 4.235 9.240 1.00 0.00 C ATOM 1442 C PRO A 97 20.709 3.807 8.563 1.00 0.00 C ATOM 1443 O PRO A 97 21.547 4.642 8.223 1.00 0.00 O ATOM 1444 CB PRO A 97 19.641 4.477 10.733 1.00 0.00 C ATOM 1445 CG PRO A 97 19.265 3.193 11.388 1.00 0.00 C ATOM 1446 CD PRO A 97 18.150 2.617 10.559 1.00 0.00 C ATOM 0 HA PRO A 97 19.086 5.122 8.696 1.00 0.00 H new ATOM 0 HB2 PRO A 97 20.680 4.736 10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 97 19.030 5.302 11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 97 20.115 2.511 11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 97 18.942 3.359 12.416 1.00 0.00 H new ATOM 0 HD2 PRO A 97 18.177 1.527 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 97 17.172 2.909 10.942 1.00 0.00 H new ATOM 1454 N SER A 98 20.869 2.501 8.371 1.00 0.00 N ATOM 1455 CA SER A 98 22.067 1.963 7.738 1.00 0.00 C ATOM 1456 C SER A 98 22.268 2.569 6.352 1.00 0.00 C ATOM 1457 O SER A 98 21.491 2.313 5.432 1.00 0.00 O ATOM 1458 CB SER A 98 21.972 0.439 7.632 1.00 0.00 C ATOM 1459 OG SER A 98 23.260 -0.151 7.602 1.00 0.00 O ATOM 0 H SER A 98 20.184 1.797 8.645 1.00 0.00 H new ATOM 0 HA SER A 98 22.925 2.225 8.358 1.00 0.00 H new ATOM 0 HB2 SER A 98 21.408 0.047 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 98 21.423 0.167 6.730 1.00 0.00 H new ATOM 0 HG SER A 98 23.172 -1.125 7.536 1.00 0.00 H new ATOM 1465 N SER A 99 23.317 3.373 6.212 1.00 0.00 N ATOM 1466 CA SER A 99 23.620 4.019 4.940 1.00 0.00 C ATOM 1467 C SER A 99 23.698 2.993 3.814 1.00 0.00 C ATOM 1468 O SER A 99 23.047 3.137 2.781 1.00 0.00 O ATOM 1469 CB SER A 99 24.938 4.789 5.037 1.00 0.00 C ATOM 1470 OG SER A 99 26.002 3.934 5.418 1.00 0.00 O ATOM 0 H SER A 99 23.971 3.593 6.963 1.00 0.00 H new ATOM 0 HA SER A 99 22.815 4.718 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.165 5.250 4.076 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.838 5.596 5.763 1.00 0.00 H new ATOM 0 HG SER A 99 26.833 4.450 5.471 1.00 0.00 H new ATOM 1476 N GLY A 100 24.502 1.954 4.024 1.00 0.00 N ATOM 1477 CA GLY A 100 24.652 0.918 3.018 1.00 0.00 C ATOM 1478 C GLY A 100 24.342 -0.463 3.559 1.00 0.00 C ATOM 1479 O GLY A 100 24.934 -1.453 3.129 1.00 0.00 O ATOM 0 H GLY A 100 25.051 1.812 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 100 23.991 1.133 2.178 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.672 0.934 2.633 1.00 0.00 H new TER 1483 GLY A 100