USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -142:sc= 0.371 (180deg=0.00197) USER MOD Single : A 17 GLN : amide:sc= -1.07 K(o=-1.1,f=-7.9!) USER MOD Single : A 20 SER OG : rot 57:sc= 0.459 USER MOD Single : A 24 LYS NZ :NH3+ -114:sc= 1.11 (180deg=-0.175) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 71 GLN : amide:sc= -0.604 K(o=-0.6,f=-2.6!) USER MOD Single : A 72 CYS SG : rot -2:sc= -0.932 USER MOD Single : A 76 CYS SG : rot 56:sc= -0.722 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -14:sc= 1.99 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.003 1.281 4.267 1.00 0.00 N ATOM 2 CA GLY A 1 23.180 0.597 4.871 1.00 0.00 C ATOM 3 C GLY A 1 24.161 1.572 5.493 1.00 0.00 C ATOM 4 O GLY A 1 24.539 1.427 6.655 1.00 0.00 O ATOM 0 H1 GLY A 1 21.363 0.572 3.856 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.499 1.818 5.001 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.324 1.931 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.838 -0.104 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.690 0.013 4.105 1.00 0.00 H new ATOM 10 N SER A 2 24.573 2.570 4.716 1.00 0.00 N ATOM 11 CA SER A 2 25.515 3.575 5.197 1.00 0.00 C ATOM 12 C SER A 2 24.852 4.945 5.277 1.00 0.00 C ATOM 13 O SER A 2 24.443 5.508 4.262 1.00 0.00 O ATOM 14 CB SER A 2 26.737 3.638 4.278 1.00 0.00 C ATOM 15 OG SER A 2 27.904 3.986 5.003 1.00 0.00 O ATOM 0 H SER A 2 24.269 2.704 3.751 1.00 0.00 H new ATOM 0 HA SER A 2 25.837 3.288 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.881 2.673 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.564 4.369 3.488 1.00 0.00 H new ATOM 0 HG SER A 2 28.671 4.018 4.393 1.00 0.00 H new ATOM 21 N SER A 3 24.748 5.477 6.491 1.00 0.00 N ATOM 22 CA SER A 3 24.134 6.782 6.703 1.00 0.00 C ATOM 23 C SER A 3 22.676 6.778 6.256 1.00 0.00 C ATOM 24 O SER A 3 22.382 6.646 5.068 1.00 0.00 O ATOM 25 CB SER A 3 24.909 7.864 5.949 1.00 0.00 C ATOM 26 OG SER A 3 26.077 8.242 6.655 1.00 0.00 O ATOM 0 H SER A 3 25.081 5.024 7.342 1.00 0.00 H new ATOM 0 HA SER A 3 24.166 7.000 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.182 7.497 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.272 8.736 5.801 1.00 0.00 H new ATOM 0 HG SER A 3 26.555 8.933 6.151 1.00 0.00 H new ATOM 32 N GLY A 4 21.767 6.920 7.215 1.00 0.00 N ATOM 33 CA GLY A 4 20.351 6.929 6.900 1.00 0.00 C ATOM 34 C GLY A 4 19.701 5.576 7.111 1.00 0.00 C ATOM 35 O GLY A 4 20.338 4.644 7.604 1.00 0.00 O ATOM 0 H GLY A 4 21.986 7.029 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.849 7.671 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.215 7.236 5.863 1.00 0.00 H new ATOM 39 N SER A 5 18.431 5.467 6.738 1.00 0.00 N ATOM 40 CA SER A 5 17.695 4.216 6.890 1.00 0.00 C ATOM 41 C SER A 5 16.858 3.924 5.648 1.00 0.00 C ATOM 42 O SER A 5 16.833 4.713 4.705 1.00 0.00 O ATOM 43 CB SER A 5 16.794 4.277 8.125 1.00 0.00 C ATOM 44 OG SER A 5 17.516 3.951 9.299 1.00 0.00 O ATOM 0 H SER A 5 17.890 6.228 6.329 1.00 0.00 H new ATOM 0 HA SER A 5 18.418 3.410 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.370 5.277 8.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.959 3.587 8.004 1.00 0.00 H new ATOM 0 HG SER A 5 16.919 3.999 10.074 1.00 0.00 H new ATOM 50 N SER A 6 16.174 2.784 5.656 1.00 0.00 N ATOM 51 CA SER A 6 15.337 2.388 4.529 1.00 0.00 C ATOM 52 C SER A 6 14.255 1.408 4.970 1.00 0.00 C ATOM 53 O SER A 6 14.338 0.821 6.050 1.00 0.00 O ATOM 54 CB SER A 6 16.193 1.760 3.428 1.00 0.00 C ATOM 55 OG SER A 6 15.737 2.146 2.143 1.00 0.00 O ATOM 0 H SER A 6 16.183 2.119 6.429 1.00 0.00 H new ATOM 0 HA SER A 6 14.852 3.282 4.138 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.232 2.063 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.164 0.674 3.516 1.00 0.00 H new ATOM 0 HG SER A 6 16.302 1.732 1.457 1.00 0.00 H new ATOM 61 N GLY A 7 13.243 1.233 4.127 1.00 0.00 N ATOM 62 CA GLY A 7 12.160 0.322 4.447 1.00 0.00 C ATOM 63 C GLY A 7 10.963 1.029 5.053 1.00 0.00 C ATOM 64 O GLY A 7 11.031 1.525 6.177 1.00 0.00 O ATOM 0 H GLY A 7 13.153 1.706 3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.849 -0.199 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.521 -0.435 5.143 1.00 0.00 H new ATOM 68 N ILE A 8 9.865 1.076 4.306 1.00 0.00 N ATOM 69 CA ILE A 8 8.648 1.727 4.777 1.00 0.00 C ATOM 70 C ILE A 8 7.692 0.718 5.404 1.00 0.00 C ATOM 71 O ILE A 8 7.492 -0.376 4.875 1.00 0.00 O ATOM 72 CB ILE A 8 7.922 2.459 3.632 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.903 3.334 2.851 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.778 3.298 4.183 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.382 3.768 1.499 1.00 0.00 C ATOM 0 H ILE A 8 9.793 0.671 3.373 1.00 0.00 H new ATOM 0 HA ILE A 8 8.951 2.455 5.530 1.00 0.00 H new ATOM 0 HB ILE A 8 7.508 1.716 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.138 4.219 3.442 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.835 2.786 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.274 3.809 3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.068 2.651 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.172 4.035 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 8 9.130 4.385 1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.174 2.888 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.466 4.344 1.630 1.00 0.00 H new ATOM 87 N ASP A 9 7.103 1.092 6.535 1.00 0.00 N ATOM 88 CA ASP A 9 6.167 0.221 7.235 1.00 0.00 C ATOM 89 C ASP A 9 4.914 0.989 7.646 1.00 0.00 C ATOM 90 O ASP A 9 4.701 2.123 7.217 1.00 0.00 O ATOM 91 CB ASP A 9 6.834 -0.395 8.468 1.00 0.00 C ATOM 92 CG ASP A 9 7.059 -1.888 8.318 1.00 0.00 C ATOM 93 OD1 ASP A 9 7.983 -2.277 7.574 1.00 0.00 O ATOM 94 OD2 ASP A 9 6.310 -2.667 8.945 1.00 0.00 O ATOM 0 H ASP A 9 7.258 1.993 6.986 1.00 0.00 H new ATOM 0 HA ASP A 9 5.873 -0.578 6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.790 0.098 8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.213 -0.210 9.344 1.00 0.00 H new ATOM 99 N VAL A 10 4.088 0.365 8.479 1.00 0.00 N ATOM 100 CA VAL A 10 2.857 0.991 8.947 1.00 0.00 C ATOM 101 C VAL A 10 3.151 2.072 9.983 1.00 0.00 C ATOM 102 O VAL A 10 3.957 1.873 10.891 1.00 0.00 O ATOM 103 CB VAL A 10 1.896 -0.045 9.559 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.558 0.597 9.893 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.710 -1.222 8.614 1.00 0.00 C ATOM 0 H VAL A 10 4.249 -0.574 8.844 1.00 0.00 H new ATOM 0 HA VAL A 10 2.382 1.444 8.077 1.00 0.00 H new ATOM 0 HB VAL A 10 2.334 -0.417 10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.107 -0.151 10.324 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.710 1.404 10.610 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.111 0.999 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.028 -1.944 9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.295 -0.869 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.674 -1.698 8.431 1.00 0.00 H new ATOM 115 N GLY A 11 2.490 3.215 9.839 1.00 0.00 N ATOM 116 CA GLY A 11 2.691 4.311 10.768 1.00 0.00 C ATOM 117 C GLY A 11 3.931 5.122 10.449 1.00 0.00 C ATOM 118 O GLY A 11 4.719 5.440 11.340 1.00 0.00 O ATOM 0 H GLY A 11 1.818 3.402 9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.819 4.964 10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.770 3.915 11.780 1.00 0.00 H new ATOM 122 N CYS A 12 4.108 5.457 9.174 1.00 0.00 N ATOM 123 CA CYS A 12 5.262 6.235 8.743 1.00 0.00 C ATOM 124 C CYS A 12 4.878 7.211 7.631 1.00 0.00 C ATOM 125 O CYS A 12 4.147 6.852 6.708 1.00 0.00 O ATOM 126 CB CYS A 12 6.379 5.304 8.262 1.00 0.00 C ATOM 127 SG CYS A 12 7.930 5.478 9.177 1.00 0.00 S ATOM 0 H CYS A 12 3.467 5.201 8.423 1.00 0.00 H new ATOM 0 HA CYS A 12 5.621 6.811 9.596 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.037 4.272 8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.569 5.497 7.206 1.00 0.00 H new ATOM 0 HG CYS A 12 8.811 4.650 8.700 1.00 0.00 H new ATOM 133 N PRO A 13 5.368 8.463 7.702 1.00 0.00 N ATOM 134 CA PRO A 13 5.069 9.484 6.696 1.00 0.00 C ATOM 135 C PRO A 13 5.830 9.255 5.394 1.00 0.00 C ATOM 136 O PRO A 13 7.060 9.269 5.372 1.00 0.00 O ATOM 137 CB PRO A 13 5.531 10.779 7.363 1.00 0.00 C ATOM 138 CG PRO A 13 6.621 10.357 8.285 1.00 0.00 C ATOM 139 CD PRO A 13 6.250 8.979 8.768 1.00 0.00 C ATOM 0 HA PRO A 13 4.016 9.484 6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.890 11.498 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.716 11.258 7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.582 10.344 7.772 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.715 11.051 9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.130 8.350 8.900 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.738 9.016 9.729 1.00 0.00 H new ATOM 147 N VAL A 14 5.089 9.043 4.311 1.00 0.00 N ATOM 148 CA VAL A 14 5.694 8.809 3.005 1.00 0.00 C ATOM 149 C VAL A 14 4.843 9.405 1.890 1.00 0.00 C ATOM 150 O VAL A 14 3.616 9.301 1.910 1.00 0.00 O ATOM 151 CB VAL A 14 5.889 7.305 2.738 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.951 6.729 3.662 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.572 6.561 2.898 1.00 0.00 C ATOM 0 H VAL A 14 4.069 9.028 4.312 1.00 0.00 H new ATOM 0 HA VAL A 14 6.668 9.298 3.016 1.00 0.00 H new ATOM 0 HB VAL A 14 6.230 7.179 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.073 5.665 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.898 7.242 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.644 6.866 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.728 5.500 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.200 6.695 3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.843 6.955 2.189 1.00 0.00 H new ATOM 163 N LYS A 15 5.500 10.027 0.918 1.00 0.00 N ATOM 164 CA LYS A 15 4.803 10.638 -0.208 1.00 0.00 C ATOM 165 C LYS A 15 4.295 9.574 -1.176 1.00 0.00 C ATOM 166 O LYS A 15 5.025 8.651 -1.538 1.00 0.00 O ATOM 167 CB LYS A 15 5.728 11.612 -0.941 1.00 0.00 C ATOM 168 CG LYS A 15 6.493 12.540 -0.012 1.00 0.00 C ATOM 169 CD LYS A 15 7.272 13.588 -0.790 1.00 0.00 C ATOM 170 CE LYS A 15 6.524 14.912 -0.846 1.00 0.00 C ATOM 171 NZ LYS A 15 6.507 15.482 -2.221 1.00 0.00 N ATOM 0 H LYS A 15 6.515 10.122 0.887 1.00 0.00 H new ATOM 0 HA LYS A 15 3.946 11.187 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.440 11.043 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.136 12.211 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.797 13.032 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.179 11.957 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.246 13.739 -0.324 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.455 13.229 -1.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.500 14.766 -0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.992 15.622 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.611 16.516 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.293 15.082 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.605 15.247 -2.683 1.00 0.00 H new ATOM 185 N VAL A 16 3.041 9.710 -1.592 1.00 0.00 N ATOM 186 CA VAL A 16 2.434 8.760 -2.517 1.00 0.00 C ATOM 187 C VAL A 16 2.190 9.402 -3.878 1.00 0.00 C ATOM 188 O VAL A 16 1.772 10.557 -3.965 1.00 0.00 O ATOM 189 CB VAL A 16 1.101 8.217 -1.972 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.572 7.102 -2.861 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.266 7.731 -0.539 1.00 0.00 C ATOM 0 H VAL A 16 2.424 10.469 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 16 3.135 7.933 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 16 0.374 9.029 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.371 6.732 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.411 7.485 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.297 6.288 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.313 7.351 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.010 6.935 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.593 8.558 0.090 1.00 0.00 H new ATOM 201 N GLN A 17 2.449 8.645 -4.940 1.00 0.00 N ATOM 202 CA GLN A 17 2.255 9.141 -6.298 1.00 0.00 C ATOM 203 C GLN A 17 0.924 8.662 -6.868 1.00 0.00 C ATOM 204 O GLN A 17 0.612 7.472 -6.827 1.00 0.00 O ATOM 205 CB GLN A 17 3.403 8.683 -7.200 1.00 0.00 C ATOM 206 CG GLN A 17 3.321 9.232 -8.614 1.00 0.00 C ATOM 207 CD GLN A 17 3.499 10.736 -8.667 1.00 0.00 C ATOM 208 OE1 GLN A 17 2.525 11.486 -8.732 1.00 0.00 O ATOM 209 NE2 GLN A 17 4.748 11.186 -8.640 1.00 0.00 N ATOM 0 H GLN A 17 2.794 7.686 -4.886 1.00 0.00 H new ATOM 0 HA GLN A 17 2.243 10.230 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.349 8.990 -6.754 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.409 7.594 -7.242 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.086 8.758 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.356 8.969 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.526 10.528 -8.586 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.929 12.189 -8.673 1.00 0.00 H new ATOM 218 N LEU A 18 0.144 9.596 -7.400 1.00 0.00 N ATOM 219 CA LEU A 18 -1.154 9.270 -7.979 1.00 0.00 C ATOM 220 C LEU A 18 -1.065 9.186 -9.500 1.00 0.00 C ATOM 221 O LEU A 18 -1.478 8.194 -10.101 1.00 0.00 O ATOM 222 CB LEU A 18 -2.195 10.315 -7.574 1.00 0.00 C ATOM 223 CG LEU A 18 -2.709 10.196 -6.137 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.631 11.358 -5.804 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.425 8.866 -5.935 1.00 0.00 C ATOM 0 H LEU A 18 0.388 10.585 -7.442 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.460 8.296 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.763 11.307 -7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.044 10.243 -8.254 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.855 10.231 -5.460 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.987 11.258 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.086 12.296 -5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.482 11.354 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.784 8.798 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.270 8.800 -6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.734 8.047 -6.132 1.00 0.00 H new ATOM 237 N ARG A 19 -0.526 10.233 -10.115 1.00 0.00 N ATOM 238 CA ARG A 19 -0.384 10.277 -11.565 1.00 0.00 C ATOM 239 C ARG A 19 0.928 9.635 -12.004 1.00 0.00 C ATOM 240 O ARG A 19 1.775 9.300 -11.176 1.00 0.00 O ATOM 241 CB ARG A 19 -0.448 11.722 -12.061 1.00 0.00 C ATOM 242 CG ARG A 19 -1.188 11.881 -13.380 1.00 0.00 C ATOM 243 CD ARG A 19 -2.605 12.394 -13.170 1.00 0.00 C ATOM 244 NE ARG A 19 -3.602 11.348 -13.378 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.968 10.901 -14.579 1.00 0.00 C ATOM 246 NH1 ARG A 19 -3.422 11.408 -15.677 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.882 9.946 -14.680 1.00 0.00 N ATOM 0 H ARG A 19 -0.180 11.062 -9.632 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.208 9.713 -12.002 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.936 12.336 -11.304 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.567 12.103 -12.175 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.642 12.572 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.221 10.922 -13.897 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.701 12.790 -12.159 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.797 13.219 -13.856 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.044 10.935 -12.557 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.719 12.143 -15.604 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.706 11.062 -16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.305 9.554 -13.839 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.162 9.604 -15.599 1.00 0.00 H new ATOM 261 N SER A 20 1.091 9.468 -13.313 1.00 0.00 N ATOM 262 CA SER A 20 2.301 8.868 -13.862 1.00 0.00 C ATOM 263 C SER A 20 3.502 9.788 -13.662 1.00 0.00 C ATOM 264 O SER A 20 3.977 10.420 -14.606 1.00 0.00 O ATOM 265 CB SER A 20 2.116 8.565 -15.350 1.00 0.00 C ATOM 266 OG SER A 20 1.768 9.735 -16.070 1.00 0.00 O ATOM 0 H SER A 20 0.400 9.740 -14.013 1.00 0.00 H new ATOM 0 HA SER A 20 2.488 7.935 -13.330 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.036 8.145 -15.756 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.339 7.812 -15.477 1.00 0.00 H new ATOM 0 HG SER A 20 2.459 10.418 -15.939 1.00 0.00 H new ATOM 272 N GLY A 21 3.987 9.858 -12.427 1.00 0.00 N ATOM 273 CA GLY A 21 5.128 10.703 -12.126 1.00 0.00 C ATOM 274 C GLY A 21 4.842 12.172 -12.369 1.00 0.00 C ATOM 275 O GLY A 21 5.428 12.786 -13.261 1.00 0.00 O ATOM 0 H GLY A 21 3.611 9.345 -11.630 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.418 10.560 -11.085 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.976 10.395 -12.738 1.00 0.00 H new ATOM 279 N GLU A 22 3.940 12.737 -11.574 1.00 0.00 N ATOM 280 CA GLU A 22 3.577 14.144 -11.706 1.00 0.00 C ATOM 281 C GLU A 22 3.764 14.881 -10.384 1.00 0.00 C ATOM 282 O GLU A 22 4.347 15.965 -10.343 1.00 0.00 O ATOM 283 CB GLU A 22 2.128 14.277 -12.177 1.00 0.00 C ATOM 284 CG GLU A 22 1.850 15.565 -12.934 1.00 0.00 C ATOM 285 CD GLU A 22 0.374 15.910 -12.977 1.00 0.00 C ATOM 286 OE1 GLU A 22 -0.397 15.144 -13.592 1.00 0.00 O ATOM 287 OE2 GLU A 22 -0.012 16.947 -12.396 1.00 0.00 O ATOM 0 H GLU A 22 3.446 12.242 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 22 4.236 14.595 -12.448 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.884 13.429 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.467 14.224 -11.312 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.397 16.383 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.227 15.472 -13.952 1.00 0.00 H new ATOM 294 N GLU A 23 3.266 14.286 -9.305 1.00 0.00 N ATOM 295 CA GLU A 23 3.378 14.886 -7.980 1.00 0.00 C ATOM 296 C GLU A 23 3.015 13.877 -6.895 1.00 0.00 C ATOM 297 O GLU A 23 1.999 13.188 -6.988 1.00 0.00 O ATOM 298 CB GLU A 23 2.474 16.116 -7.876 1.00 0.00 C ATOM 299 CG GLU A 23 3.127 17.291 -7.167 1.00 0.00 C ATOM 300 CD GLU A 23 4.028 18.096 -8.082 1.00 0.00 C ATOM 301 OE1 GLU A 23 3.498 18.825 -8.947 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.265 17.999 -7.932 1.00 0.00 O ATOM 0 H GLU A 23 2.781 13.389 -9.322 1.00 0.00 H new ATOM 0 HA GLU A 23 4.413 15.193 -7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.179 16.426 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.562 15.843 -7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.352 17.942 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.709 16.923 -6.322 1.00 0.00 H new ATOM 309 N LYS A 24 3.852 13.795 -5.866 1.00 0.00 N ATOM 310 CA LYS A 24 3.619 12.870 -4.762 1.00 0.00 C ATOM 311 C LYS A 24 3.101 13.608 -3.532 1.00 0.00 C ATOM 312 O LYS A 24 3.684 14.604 -3.102 1.00 0.00 O ATOM 313 CB LYS A 24 4.907 12.122 -4.417 1.00 0.00 C ATOM 314 CG LYS A 24 5.342 11.132 -5.486 1.00 0.00 C ATOM 315 CD LYS A 24 5.909 9.861 -4.873 1.00 0.00 C ATOM 316 CE LYS A 24 7.179 9.418 -5.581 1.00 0.00 C ATOM 317 NZ LYS A 24 7.365 7.943 -5.517 1.00 0.00 N ATOM 0 H LYS A 24 4.698 14.358 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 24 2.862 12.152 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.706 12.846 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.767 11.590 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.491 10.883 -6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.093 11.594 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.120 10.028 -3.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.165 9.066 -4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.143 9.734 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.038 9.912 -5.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.205 7.724 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.527 7.506 -5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.493 7.567 -6.478 1.00 0.00 H new ATOM 331 N PHE A 25 2.005 13.111 -2.968 1.00 0.00 N ATOM 332 CA PHE A 25 1.410 13.723 -1.786 1.00 0.00 C ATOM 333 C PHE A 25 1.878 13.015 -0.515 1.00 0.00 C ATOM 334 O PHE A 25 1.905 11.786 -0.457 1.00 0.00 O ATOM 335 CB PHE A 25 -0.117 13.674 -1.875 1.00 0.00 C ATOM 336 CG PHE A 25 -0.691 14.635 -2.879 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.375 15.982 -2.826 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.547 14.188 -3.873 1.00 0.00 C ATOM 339 CE1 PHE A 25 -0.901 16.868 -3.747 1.00 0.00 C ATOM 340 CE2 PHE A 25 -2.077 15.069 -4.796 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.754 16.411 -4.734 1.00 0.00 C ATOM 0 H PHE A 25 1.511 12.287 -3.310 1.00 0.00 H new ATOM 0 HA PHE A 25 1.732 14.763 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.425 12.662 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.537 13.893 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.290 16.344 -2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.802 13.140 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.646 17.916 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.744 14.709 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.167 17.101 -5.455 1.00 0.00 H new ATOM 351 N PRO A 26 2.256 13.781 0.525 1.00 0.00 N ATOM 352 CA PRO A 26 2.725 13.211 1.792 1.00 0.00 C ATOM 353 C PRO A 26 1.595 12.573 2.594 1.00 0.00 C ATOM 354 O PRO A 26 0.481 13.096 2.640 1.00 0.00 O ATOM 355 CB PRO A 26 3.293 14.420 2.536 1.00 0.00 C ATOM 356 CG PRO A 26 2.542 15.585 1.989 1.00 0.00 C ATOM 357 CD PRO A 26 2.258 15.257 0.549 1.00 0.00 C ATOM 0 HA PRO A 26 3.449 12.411 1.636 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.150 14.326 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.364 14.523 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.617 15.747 2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.128 16.501 2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.300 15.665 0.226 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.019 15.668 -0.114 1.00 0.00 H new ATOM 365 N GLY A 27 1.890 11.439 3.222 1.00 0.00 N ATOM 366 CA GLY A 27 0.889 10.747 4.013 1.00 0.00 C ATOM 367 C GLY A 27 1.482 9.638 4.857 1.00 0.00 C ATOM 368 O GLY A 27 2.444 8.986 4.450 1.00 0.00 O ATOM 0 H GLY A 27 2.804 10.987 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.385 11.463 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.132 10.329 3.350 1.00 0.00 H new ATOM 372 N VAL A 28 0.906 9.420 6.035 1.00 0.00 N ATOM 373 CA VAL A 28 1.384 8.380 6.937 1.00 0.00 C ATOM 374 C VAL A 28 0.766 7.029 6.591 1.00 0.00 C ATOM 375 O VAL A 28 -0.401 6.948 6.207 1.00 0.00 O ATOM 376 CB VAL A 28 1.069 8.723 8.407 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.433 8.860 8.619 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.655 7.673 9.341 1.00 0.00 C ATOM 0 H VAL A 28 0.108 9.950 6.386 1.00 0.00 H new ATOM 0 HA VAL A 28 2.465 8.322 6.813 1.00 0.00 H new ATOM 0 HB VAL A 28 1.532 9.682 8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.633 9.102 9.663 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.819 9.655 7.982 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.924 7.921 8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.422 7.933 10.373 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.227 6.698 9.107 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.737 7.634 9.212 1.00 0.00 H new ATOM 388 N VAL A 29 1.557 5.970 6.728 1.00 0.00 N ATOM 389 CA VAL A 29 1.088 4.622 6.429 1.00 0.00 C ATOM 390 C VAL A 29 0.125 4.127 7.503 1.00 0.00 C ATOM 391 O VAL A 29 0.361 4.316 8.697 1.00 0.00 O ATOM 392 CB VAL A 29 2.260 3.630 6.309 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.768 2.276 5.824 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.334 4.178 5.380 1.00 0.00 C ATOM 0 H VAL A 29 2.526 6.019 7.044 1.00 0.00 H new ATOM 0 HA VAL A 29 0.569 4.673 5.472 1.00 0.00 H new ATOM 0 HB VAL A 29 2.700 3.498 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.611 1.589 5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.040 1.878 6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.299 2.388 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.153 3.462 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.909 4.343 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.710 5.122 5.775 1.00 0.00 H new ATOM 404 N ARG A 30 -0.962 3.495 7.073 1.00 0.00 N ATOM 405 CA ARG A 30 -1.962 2.976 8.000 1.00 0.00 C ATOM 406 C ARG A 30 -2.066 1.456 7.906 1.00 0.00 C ATOM 407 O ARG A 30 -2.345 0.783 8.899 1.00 0.00 O ATOM 408 CB ARG A 30 -3.327 3.608 7.715 1.00 0.00 C ATOM 409 CG ARG A 30 -3.403 5.081 8.080 1.00 0.00 C ATOM 410 CD ARG A 30 -3.037 5.313 9.537 1.00 0.00 C ATOM 411 NE ARG A 30 -3.443 6.639 9.999 1.00 0.00 N ATOM 412 CZ ARG A 30 -2.987 7.207 11.114 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.113 6.567 11.883 1.00 0.00 N ATOM 414 NH2 ARG A 30 -3.404 8.416 11.461 1.00 0.00 N ATOM 0 H ARG A 30 -1.173 3.330 6.089 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.648 3.236 9.011 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.558 3.492 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.092 3.065 8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.730 5.651 7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.411 5.452 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.513 4.552 10.156 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.960 5.199 9.663 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.115 7.160 9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.788 5.636 11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.767 7.006 12.736 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.075 8.912 10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.054 8.850 12.315 1.00 0.00 H new ATOM 428 N PHE A 31 -1.843 0.920 6.711 1.00 0.00 N ATOM 429 CA PHE A 31 -1.916 -0.520 6.495 1.00 0.00 C ATOM 430 C PHE A 31 -0.977 -0.953 5.373 1.00 0.00 C ATOM 431 O PHE A 31 -0.454 -0.121 4.633 1.00 0.00 O ATOM 432 CB PHE A 31 -3.351 -0.931 6.162 1.00 0.00 C ATOM 433 CG PHE A 31 -3.608 -2.403 6.314 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.828 -2.955 7.566 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.627 -3.234 5.206 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.063 -4.310 7.710 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.863 -4.589 5.343 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.081 -5.128 6.596 1.00 0.00 C ATOM 0 H PHE A 31 -1.610 1.461 5.878 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.605 -1.017 7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.036 -0.383 6.809 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.576 -0.636 5.137 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.816 -2.320 8.439 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.455 -2.819 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.232 -4.728 8.691 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.877 -5.226 4.471 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.265 -6.187 6.705 1.00 0.00 H new ATOM 448 N ARG A 32 -0.769 -2.260 5.252 1.00 0.00 N ATOM 449 CA ARG A 32 0.105 -2.805 4.220 1.00 0.00 C ATOM 450 C ARG A 32 -0.303 -4.229 3.857 1.00 0.00 C ATOM 451 O ARG A 32 -0.403 -5.097 4.724 1.00 0.00 O ATOM 452 CB ARG A 32 1.560 -2.783 4.690 1.00 0.00 C ATOM 453 CG ARG A 32 2.542 -3.314 3.657 1.00 0.00 C ATOM 454 CD ARG A 32 3.722 -4.014 4.312 1.00 0.00 C ATOM 455 NE ARG A 32 3.919 -5.362 3.784 1.00 0.00 N ATOM 456 CZ ARG A 32 5.051 -6.051 3.913 1.00 0.00 C ATOM 457 NH1 ARG A 32 6.088 -5.524 4.553 1.00 0.00 N ATOM 458 NH2 ARG A 32 5.147 -7.271 3.403 1.00 0.00 N ATOM 0 H ARG A 32 -1.195 -2.962 5.857 1.00 0.00 H new ATOM 0 HA ARG A 32 0.008 -2.181 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.834 -1.760 4.948 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.648 -3.375 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.030 -4.009 2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.903 -2.490 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.626 -3.426 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.561 -4.066 5.389 1.00 0.00 H new ATOM 0 HE ARG A 32 3.144 -5.801 3.287 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.020 -4.586 4.949 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.953 -6.057 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.353 -7.682 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.014 -7.798 3.502 1.00 0.00 H new ATOM 472 N GLY A 33 -0.539 -4.461 2.569 1.00 0.00 N ATOM 473 CA GLY A 33 -0.933 -5.781 2.114 1.00 0.00 C ATOM 474 C GLY A 33 -1.257 -5.811 0.630 1.00 0.00 C ATOM 475 O GLY A 33 -1.567 -4.776 0.042 1.00 0.00 O ATOM 0 H GLY A 33 -0.464 -3.758 1.833 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.130 -6.488 2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.804 -6.112 2.680 1.00 0.00 H new ATOM 479 N PRO A 34 -1.193 -6.994 -0.005 1.00 0.00 N ATOM 480 CA PRO A 34 -1.485 -7.137 -1.435 1.00 0.00 C ATOM 481 C PRO A 34 -2.965 -6.940 -1.746 1.00 0.00 C ATOM 482 O PRO A 34 -3.810 -6.992 -0.852 1.00 0.00 O ATOM 483 CB PRO A 34 -1.061 -8.575 -1.742 1.00 0.00 C ATOM 484 CG PRO A 34 -1.176 -9.290 -0.442 1.00 0.00 C ATOM 485 CD PRO A 34 -0.832 -8.280 0.618 1.00 0.00 C ATOM 0 HA PRO A 34 -0.966 -6.389 -2.034 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.704 -9.024 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.042 -8.614 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.184 -9.679 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.497 -10.142 -0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.394 -8.454 1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.225 -8.317 0.880 1.00 0.00 H new ATOM 493 N LEU A 35 -3.271 -6.713 -3.019 1.00 0.00 N ATOM 494 CA LEU A 35 -4.651 -6.508 -3.448 1.00 0.00 C ATOM 495 C LEU A 35 -4.835 -6.923 -4.905 1.00 0.00 C ATOM 496 O LEU A 35 -5.457 -7.944 -5.195 1.00 0.00 O ATOM 497 CB LEU A 35 -5.050 -5.041 -3.270 1.00 0.00 C ATOM 498 CG LEU A 35 -5.351 -4.623 -1.829 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.785 -3.167 -1.776 1.00 0.00 C ATOM 500 CD2 LEU A 35 -6.420 -5.522 -1.226 1.00 0.00 C ATOM 0 H LEU A 35 -2.584 -6.666 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.295 -7.131 -2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.247 -4.412 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.930 -4.843 -3.881 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.439 -4.731 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.995 -2.887 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.988 -2.535 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.684 -3.033 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.622 -5.211 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.334 -5.446 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.071 -6.555 -1.229 1.00 0.00 H new ATOM 512 N LEU A 36 -4.290 -6.124 -5.816 1.00 0.00 N ATOM 513 CA LEU A 36 -4.394 -6.407 -7.242 1.00 0.00 C ATOM 514 C LEU A 36 -3.013 -6.571 -7.868 1.00 0.00 C ATOM 515 O LEU A 36 -2.056 -5.908 -7.465 1.00 0.00 O ATOM 516 CB LEU A 36 -5.158 -5.288 -7.953 1.00 0.00 C ATOM 517 CG LEU A 36 -6.386 -4.766 -7.205 1.00 0.00 C ATOM 518 CD1 LEU A 36 -6.733 -3.359 -7.665 1.00 0.00 C ATOM 519 CD2 LEU A 36 -7.569 -5.701 -7.407 1.00 0.00 C ATOM 0 H LEU A 36 -3.771 -5.275 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.940 -7.343 -7.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.476 -4.456 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.474 -5.649 -8.932 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.152 -4.731 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.609 -3.004 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.891 -2.694 -7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.948 -3.368 -8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.434 -5.315 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.803 -5.767 -8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.318 -6.692 -7.028 1.00 0.00 H new ATOM 531 N ALA A 37 -2.916 -7.455 -8.855 1.00 0.00 N ATOM 532 CA ALA A 37 -1.652 -7.705 -9.536 1.00 0.00 C ATOM 533 C ALA A 37 -1.651 -7.095 -10.933 1.00 0.00 C ATOM 534 O ALA A 37 -2.132 -7.705 -11.888 1.00 0.00 O ATOM 535 CB ALA A 37 -1.379 -9.200 -9.610 1.00 0.00 C ATOM 0 H ALA A 37 -3.698 -8.010 -9.201 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.857 -7.230 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.432 -9.372 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.327 -9.611 -8.602 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.182 -9.690 -10.160 1.00 0.00 H new ATOM 541 N GLU A 38 -1.108 -5.887 -11.045 1.00 0.00 N ATOM 542 CA GLU A 38 -1.045 -5.193 -12.327 1.00 0.00 C ATOM 543 C GLU A 38 0.354 -5.283 -12.926 1.00 0.00 C ATOM 544 O GLU A 38 1.349 -5.053 -12.239 1.00 0.00 O ATOM 545 CB GLU A 38 -1.445 -3.726 -12.155 1.00 0.00 C ATOM 546 CG GLU A 38 -0.650 -3.001 -11.082 1.00 0.00 C ATOM 547 CD GLU A 38 -0.933 -1.512 -11.054 1.00 0.00 C ATOM 548 OE1 GLU A 38 -2.061 -1.116 -11.414 1.00 0.00 O ATOM 549 OE2 GLU A 38 -0.027 -0.742 -10.670 1.00 0.00 O ATOM 0 H GLU A 38 -0.705 -5.368 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.744 -5.677 -13.009 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.313 -3.208 -13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.505 -3.674 -11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.885 -3.430 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.415 -3.162 -11.253 1.00 0.00 H new ATOM 556 N ARG A 39 0.420 -5.617 -14.212 1.00 0.00 N ATOM 557 CA ARG A 39 1.695 -5.739 -14.910 1.00 0.00 C ATOM 558 C ARG A 39 2.547 -6.850 -14.306 1.00 0.00 C ATOM 559 O ARG A 39 2.612 -7.956 -14.841 1.00 0.00 O ATOM 560 CB ARG A 39 2.456 -4.410 -14.870 1.00 0.00 C ATOM 561 CG ARG A 39 1.819 -3.318 -15.715 1.00 0.00 C ATOM 562 CD ARG A 39 2.728 -2.107 -15.838 1.00 0.00 C ATOM 563 NE ARG A 39 2.016 -0.937 -16.347 1.00 0.00 N ATOM 564 CZ ARG A 39 1.229 -0.166 -15.601 1.00 0.00 C ATOM 565 NH1 ARG A 39 1.051 -0.435 -14.313 1.00 0.00 N ATOM 566 NH2 ARG A 39 0.619 0.880 -16.143 1.00 0.00 N ATOM 0 H ARG A 39 -0.397 -5.808 -14.792 1.00 0.00 H new ATOM 0 HA ARG A 39 1.486 -5.996 -15.949 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.519 -4.068 -13.837 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.477 -4.575 -15.214 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.595 -3.709 -16.708 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.870 -3.018 -15.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.156 -1.875 -14.863 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.559 -2.343 -16.503 1.00 0.00 H new ATOM 0 HE ARG A 39 2.129 -0.697 -17.332 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.519 -1.237 -13.890 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.446 0.160 -13.747 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.753 1.093 -17.131 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.016 1.471 -15.571 1.00 0.00 H new ATOM 580 N THR A 40 3.199 -6.548 -13.190 1.00 0.00 N ATOM 581 CA THR A 40 4.047 -7.520 -12.512 1.00 0.00 C ATOM 582 C THR A 40 3.212 -8.481 -11.673 1.00 0.00 C ATOM 583 O THR A 40 2.178 -8.103 -11.123 1.00 0.00 O ATOM 584 CB THR A 40 5.070 -6.807 -11.627 1.00 0.00 C ATOM 585 OG1 THR A 40 5.390 -5.533 -12.156 1.00 0.00 O ATOM 586 CG2 THR A 40 6.363 -7.577 -11.465 1.00 0.00 C ATOM 0 H THR A 40 3.156 -5.636 -12.735 1.00 0.00 H new ATOM 0 HA THR A 40 4.574 -8.096 -13.272 1.00 0.00 H new ATOM 0 HB THR A 40 4.595 -6.720 -10.650 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.044 -5.092 -11.575 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.044 -7.015 -10.826 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.155 -8.546 -11.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.823 -7.726 -12.442 1.00 0.00 H new ATOM 594 N VAL A 41 3.666 -9.726 -11.580 1.00 0.00 N ATOM 595 CA VAL A 41 2.961 -10.742 -10.809 1.00 0.00 C ATOM 596 C VAL A 41 3.233 -10.585 -9.315 1.00 0.00 C ATOM 597 O VAL A 41 4.376 -10.388 -8.899 1.00 0.00 O ATOM 598 CB VAL A 41 3.362 -12.164 -11.251 1.00 0.00 C ATOM 599 CG1 VAL A 41 4.849 -12.398 -11.028 1.00 0.00 C ATOM 600 CG2 VAL A 41 2.534 -13.209 -10.517 1.00 0.00 C ATOM 0 H VAL A 41 4.520 -10.056 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 41 1.897 -10.601 -10.997 1.00 0.00 H new ATOM 0 HB VAL A 41 3.160 -12.259 -12.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.110 -13.407 -11.346 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.422 -11.675 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.081 -12.280 -9.970 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.833 -14.205 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.698 -13.115 -9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.477 -13.057 -10.738 1.00 0.00 H new ATOM 610 N SER A 42 2.177 -10.674 -8.514 1.00 0.00 N ATOM 611 CA SER A 42 2.301 -10.543 -7.067 1.00 0.00 C ATOM 612 C SER A 42 2.870 -9.179 -6.691 1.00 0.00 C ATOM 613 O SER A 42 4.078 -8.955 -6.772 1.00 0.00 O ATOM 614 CB SER A 42 3.194 -11.652 -6.508 1.00 0.00 C ATOM 615 OG SER A 42 3.545 -11.395 -5.159 1.00 0.00 O ATOM 0 H SER A 42 1.225 -10.836 -8.842 1.00 0.00 H new ATOM 0 HA SER A 42 1.305 -10.634 -6.633 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.676 -12.609 -6.576 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.097 -11.735 -7.112 1.00 0.00 H new ATOM 0 HG SER A 42 4.114 -12.119 -4.825 1.00 0.00 H new ATOM 621 N GLY A 43 1.993 -8.270 -6.278 1.00 0.00 N ATOM 622 CA GLY A 43 2.426 -6.939 -5.896 1.00 0.00 C ATOM 623 C GLY A 43 1.893 -6.523 -4.538 1.00 0.00 C ATOM 624 O GLY A 43 0.703 -6.667 -4.260 1.00 0.00 O ATOM 0 H GLY A 43 0.989 -8.432 -6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.515 -6.905 -5.881 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.095 -6.223 -6.648 1.00 0.00 H new ATOM 628 N ILE A 44 2.778 -6.008 -3.690 1.00 0.00 N ATOM 629 CA ILE A 44 2.391 -5.570 -2.355 1.00 0.00 C ATOM 630 C ILE A 44 2.049 -4.084 -2.341 1.00 0.00 C ATOM 631 O ILE A 44 2.764 -3.267 -2.919 1.00 0.00 O ATOM 632 CB ILE A 44 3.510 -5.837 -1.330 1.00 0.00 C ATOM 633 CG1 ILE A 44 4.018 -7.274 -1.461 1.00 0.00 C ATOM 634 CG2 ILE A 44 3.011 -5.572 0.082 1.00 0.00 C ATOM 635 CD1 ILE A 44 5.339 -7.514 -0.763 1.00 0.00 C ATOM 0 H ILE A 44 3.768 -5.884 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 44 1.508 -6.146 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 44 4.338 -5.158 -1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.271 -7.954 -1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.125 -7.518 -2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.814 -5.765 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.693 -4.533 0.167 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.168 -6.228 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.638 -8.554 -0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.100 -6.860 -1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.232 -7.302 0.301 1.00 0.00 H new ATOM 647 N PHE A 45 0.949 -3.741 -1.678 1.00 0.00 N ATOM 648 CA PHE A 45 0.511 -2.352 -1.589 1.00 0.00 C ATOM 649 C PHE A 45 0.838 -1.764 -0.221 1.00 0.00 C ATOM 650 O PHE A 45 1.298 -2.472 0.676 1.00 0.00 O ATOM 651 CB PHE A 45 -0.991 -2.251 -1.855 1.00 0.00 C ATOM 652 CG PHE A 45 -1.388 -2.678 -3.240 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.199 -3.987 -3.655 1.00 0.00 C ATOM 654 CD2 PHE A 45 -1.948 -1.773 -4.125 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.562 -4.384 -4.928 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.313 -2.162 -5.399 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.120 -3.469 -5.801 1.00 0.00 C ATOM 0 H PHE A 45 0.345 -4.405 -1.195 1.00 0.00 H new ATOM 0 HA PHE A 45 1.046 -1.780 -2.347 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.522 -2.866 -1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.311 -1.221 -1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.763 -4.705 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.101 -0.750 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.410 -5.407 -5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.749 -1.445 -6.080 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.405 -3.776 -6.797 1.00 0.00 H new ATOM 667 N PHE A 46 0.596 -0.466 -0.067 1.00 0.00 N ATOM 668 CA PHE A 46 0.865 0.217 1.192 1.00 0.00 C ATOM 669 C PHE A 46 -0.161 1.317 1.445 1.00 0.00 C ATOM 670 O PHE A 46 -0.168 2.341 0.761 1.00 0.00 O ATOM 671 CB PHE A 46 2.274 0.811 1.185 1.00 0.00 C ATOM 672 CG PHE A 46 3.350 -0.187 1.505 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.732 -1.137 0.570 1.00 0.00 C ATOM 674 CD2 PHE A 46 3.979 -0.176 2.739 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.721 -2.056 0.862 1.00 0.00 C ATOM 676 CE2 PHE A 46 4.970 -1.093 3.036 1.00 0.00 C ATOM 677 CZ PHE A 46 5.341 -2.034 2.096 1.00 0.00 C ATOM 0 H PHE A 46 0.214 0.133 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 46 0.792 -0.516 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.472 1.244 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.319 1.626 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.251 -1.159 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.692 0.558 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.009 -2.792 0.126 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.453 -1.073 4.002 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.115 -2.752 2.325 1.00 0.00 H new ATOM 687 N GLY A 47 -1.026 1.100 2.430 1.00 0.00 N ATOM 688 CA GLY A 47 -2.042 2.082 2.755 1.00 0.00 C ATOM 689 C GLY A 47 -1.459 3.332 3.384 1.00 0.00 C ATOM 690 O GLY A 47 -0.851 3.272 4.452 1.00 0.00 O ATOM 0 H GLY A 47 -1.041 0.261 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.584 2.354 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.766 1.639 3.439 1.00 0.00 H new ATOM 694 N VAL A 48 -1.642 4.467 2.718 1.00 0.00 N ATOM 695 CA VAL A 48 -1.128 5.739 3.214 1.00 0.00 C ATOM 696 C VAL A 48 -2.236 6.785 3.293 1.00 0.00 C ATOM 697 O VAL A 48 -3.090 6.865 2.410 1.00 0.00 O ATOM 698 CB VAL A 48 0.003 6.274 2.317 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.667 7.483 2.956 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.025 5.182 2.037 1.00 0.00 C ATOM 0 H VAL A 48 -2.143 4.532 1.832 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.734 5.554 4.213 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.430 6.587 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.464 7.846 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.072 8.271 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.087 7.200 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.817 5.579 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.454 4.835 2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.538 4.348 1.531 1.00 0.00 H new ATOM 710 N GLU A 49 -2.215 7.583 4.356 1.00 0.00 N ATOM 711 CA GLU A 49 -3.219 8.624 4.547 1.00 0.00 C ATOM 712 C GLU A 49 -2.681 9.984 4.113 1.00 0.00 C ATOM 713 O GLU A 49 -1.748 10.514 4.715 1.00 0.00 O ATOM 714 CB GLU A 49 -3.655 8.678 6.012 1.00 0.00 C ATOM 715 CG GLU A 49 -4.880 9.546 6.249 1.00 0.00 C ATOM 716 CD GLU A 49 -5.294 9.583 7.707 1.00 0.00 C ATOM 717 OE1 GLU A 49 -5.120 8.560 8.401 1.00 0.00 O ATOM 718 OE2 GLU A 49 -5.793 10.637 8.156 1.00 0.00 O ATOM 0 H GLU A 49 -1.516 7.529 5.097 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.082 8.381 3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.864 7.666 6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.829 9.056 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.674 10.560 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.709 9.170 5.649 1.00 0.00 H new ATOM 725 N LEU A 50 -3.276 10.542 3.064 1.00 0.00 N ATOM 726 CA LEU A 50 -2.857 11.840 2.546 1.00 0.00 C ATOM 727 C LEU A 50 -2.942 12.914 3.626 1.00 0.00 C ATOM 728 O LEU A 50 -3.900 12.959 4.397 1.00 0.00 O ATOM 729 CB LEU A 50 -3.720 12.236 1.347 1.00 0.00 C ATOM 730 CG LEU A 50 -3.675 11.264 0.166 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.836 11.521 -0.781 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.348 11.382 -0.568 1.00 0.00 C ATOM 0 H LEU A 50 -4.050 10.116 2.555 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.818 11.756 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.754 12.332 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.404 13.220 1.000 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.766 10.248 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.787 10.820 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.777 11.386 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.777 12.541 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.332 10.684 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.228 12.399 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.532 11.147 0.116 1.00 0.00 H new ATOM 744 N LEU A 51 -1.933 13.778 3.674 1.00 0.00 N ATOM 745 CA LEU A 51 -1.893 14.853 4.659 1.00 0.00 C ATOM 746 C LEU A 51 -2.767 16.024 4.219 1.00 0.00 C ATOM 747 O LEU A 51 -3.390 15.983 3.158 1.00 0.00 O ATOM 748 CB LEU A 51 -0.453 15.325 4.871 1.00 0.00 C ATOM 749 CG LEU A 51 0.295 14.624 6.007 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.781 14.537 5.694 1.00 0.00 C ATOM 751 CD2 LEU A 51 0.067 15.352 7.323 1.00 0.00 C ATOM 0 H LEU A 51 -1.132 13.755 3.042 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.282 14.466 5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.102 15.177 3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.463 16.397 5.069 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.095 13.611 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.297 14.036 6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.926 13.972 4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.186 15.541 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.606 14.840 8.120 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.430 16.377 7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.998 15.362 7.554 1.00 0.00 H new ATOM 763 N GLU A 52 -2.807 17.068 5.041 1.00 0.00 N ATOM 764 CA GLU A 52 -3.604 18.252 4.739 1.00 0.00 C ATOM 765 C GLU A 52 -3.248 18.817 3.366 1.00 0.00 C ATOM 766 O GLU A 52 -4.090 19.409 2.691 1.00 0.00 O ATOM 767 CB GLU A 52 -3.391 19.322 5.812 1.00 0.00 C ATOM 768 CG GLU A 52 -1.937 19.725 5.988 1.00 0.00 C ATOM 769 CD GLU A 52 -1.711 20.568 7.229 1.00 0.00 C ATOM 770 OE1 GLU A 52 -2.376 20.307 8.253 1.00 0.00 O ATOM 771 OE2 GLU A 52 -0.870 21.489 7.175 1.00 0.00 O ATOM 0 H GLU A 52 -2.296 17.118 5.922 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.653 17.958 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.975 20.205 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.775 18.953 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.320 18.828 6.045 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.609 20.282 5.110 1.00 0.00 H new ATOM 778 N GLU A 53 -1.997 18.627 2.960 1.00 0.00 N ATOM 779 CA GLU A 53 -1.531 19.116 1.667 1.00 0.00 C ATOM 780 C GLU A 53 -2.319 18.475 0.529 1.00 0.00 C ATOM 781 O GLU A 53 -2.976 19.166 -0.251 1.00 0.00 O ATOM 782 CB GLU A 53 -0.037 18.829 1.499 1.00 0.00 C ATOM 783 CG GLU A 53 0.761 20.024 1.004 1.00 0.00 C ATOM 784 CD GLU A 53 2.240 19.907 1.314 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.787 18.791 1.189 1.00 0.00 O ATOM 786 OE2 GLU A 53 2.852 20.932 1.683 1.00 0.00 O ATOM 0 H GLU A 53 -1.288 18.138 3.507 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.691 20.194 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.371 18.501 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.089 18.003 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.626 20.125 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.369 20.933 1.461 1.00 0.00 H new ATOM 793 N GLY A 54 -2.248 17.150 0.438 1.00 0.00 N ATOM 794 CA GLY A 54 -2.961 16.440 -0.607 1.00 0.00 C ATOM 795 C GLY A 54 -4.217 15.763 -0.095 1.00 0.00 C ATOM 796 O GLY A 54 -4.646 14.744 -0.636 1.00 0.00 O ATOM 0 H GLY A 54 -1.710 16.557 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.226 17.138 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.303 15.692 -1.048 1.00 0.00 H new ATOM 800 N ARG A 55 -4.807 16.330 0.952 1.00 0.00 N ATOM 801 CA ARG A 55 -6.021 15.776 1.539 1.00 0.00 C ATOM 802 C ARG A 55 -7.200 15.910 0.580 1.00 0.00 C ATOM 803 O ARG A 55 -7.449 16.984 0.032 1.00 0.00 O ATOM 804 CB ARG A 55 -6.339 16.480 2.861 1.00 0.00 C ATOM 805 CG ARG A 55 -6.703 15.525 3.986 1.00 0.00 C ATOM 806 CD ARG A 55 -6.432 16.142 5.349 1.00 0.00 C ATOM 807 NE ARG A 55 -7.360 15.653 6.365 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.579 16.268 7.525 1.00 0.00 C ATOM 809 NH1 ARG A 55 -6.941 17.394 7.819 1.00 0.00 N ATOM 810 NH2 ARG A 55 -8.440 15.756 8.394 1.00 0.00 N ATOM 0 H ARG A 55 -4.464 17.173 1.412 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.852 14.716 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.476 17.073 3.164 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.164 17.175 2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.757 15.256 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.130 14.603 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.410 15.916 5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.511 17.227 5.278 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.870 14.790 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.278 17.793 7.154 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.113 17.860 8.710 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.934 14.891 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.608 16.227 9.283 1.00 0.00 H new ATOM 824 N GLY A 56 -7.924 14.814 0.384 1.00 0.00 N ATOM 825 CA GLY A 56 -9.068 14.831 -0.509 1.00 0.00 C ATOM 826 C GLY A 56 -8.766 14.195 -1.852 1.00 0.00 C ATOM 827 O GLY A 56 -9.298 14.617 -2.879 1.00 0.00 O ATOM 0 H GLY A 56 -7.740 13.914 0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.899 14.304 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.390 15.861 -0.663 1.00 0.00 H new ATOM 831 N GLN A 57 -7.912 13.178 -1.845 1.00 0.00 N ATOM 832 CA GLN A 57 -7.540 12.484 -3.071 1.00 0.00 C ATOM 833 C GLN A 57 -7.438 10.980 -2.836 1.00 0.00 C ATOM 834 O GLN A 57 -6.599 10.303 -3.432 1.00 0.00 O ATOM 835 CB GLN A 57 -6.209 13.020 -3.603 1.00 0.00 C ATOM 836 CG GLN A 57 -6.283 14.462 -4.078 1.00 0.00 C ATOM 837 CD GLN A 57 -7.222 14.641 -5.254 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.127 13.931 -6.255 1.00 0.00 O ATOM 839 NE2 GLN A 57 -8.139 15.596 -5.139 1.00 0.00 N ATOM 0 H GLN A 57 -7.464 12.816 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.319 12.666 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.456 12.942 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.877 12.390 -4.428 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.613 15.095 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.286 14.799 -4.360 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.183 16.162 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.799 15.763 -5.898 1.00 0.00 H new ATOM 848 N GLY A 58 -8.296 10.464 -1.962 1.00 0.00 N ATOM 849 CA GLY A 58 -8.286 9.044 -1.662 1.00 0.00 C ATOM 850 C GLY A 58 -9.444 8.307 -2.306 1.00 0.00 C ATOM 851 O GLY A 58 -10.535 8.859 -2.451 1.00 0.00 O ATOM 0 H GLY A 58 -8.998 11.004 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.347 8.610 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.326 8.904 -0.582 1.00 0.00 H new ATOM 855 N PHE A 59 -9.208 7.058 -2.694 1.00 0.00 N ATOM 856 CA PHE A 59 -10.241 6.245 -3.326 1.00 0.00 C ATOM 857 C PHE A 59 -10.699 5.126 -2.395 1.00 0.00 C ATOM 858 O PHE A 59 -11.896 4.927 -2.192 1.00 0.00 O ATOM 859 CB PHE A 59 -9.722 5.653 -4.638 1.00 0.00 C ATOM 860 CG PHE A 59 -8.431 4.899 -4.487 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.217 5.568 -4.504 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.431 3.523 -4.329 1.00 0.00 C ATOM 863 CE1 PHE A 59 -6.028 4.878 -4.365 1.00 0.00 C ATOM 864 CE2 PHE A 59 -7.246 2.827 -4.190 1.00 0.00 C ATOM 865 CZ PHE A 59 -6.042 3.505 -4.208 1.00 0.00 C ATOM 0 H PHE A 59 -8.310 6.587 -2.582 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.095 6.888 -3.538 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.478 4.984 -5.050 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.581 6.458 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.200 6.641 -4.627 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.369 2.988 -4.314 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.089 5.411 -4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.260 1.754 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.114 2.963 -4.100 1.00 0.00 H new ATOM 875 N THR A 60 -9.739 4.398 -1.834 1.00 0.00 N ATOM 876 CA THR A 60 -10.046 3.298 -0.926 1.00 0.00 C ATOM 877 C THR A 60 -10.748 3.808 0.329 1.00 0.00 C ATOM 878 O THR A 60 -11.775 3.268 0.739 1.00 0.00 O ATOM 879 CB THR A 60 -8.767 2.552 -0.543 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.052 1.506 0.369 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.719 3.441 0.091 1.00 0.00 C ATOM 0 H THR A 60 -8.743 4.549 -1.992 1.00 0.00 H new ATOM 0 HA THR A 60 -10.717 2.611 -1.442 1.00 0.00 H new ATOM 0 HB THR A 60 -8.369 2.163 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.222 1.039 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.839 2.847 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.440 4.230 -0.607 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.122 3.887 1.000 1.00 0.00 H new ATOM 889 N ASP A 61 -10.188 4.851 0.933 1.00 0.00 N ATOM 890 CA ASP A 61 -10.762 5.435 2.142 1.00 0.00 C ATOM 891 C ASP A 61 -10.930 4.382 3.234 1.00 0.00 C ATOM 892 O ASP A 61 -11.832 4.474 4.066 1.00 0.00 O ATOM 893 CB ASP A 61 -12.113 6.081 1.828 1.00 0.00 C ATOM 894 CG ASP A 61 -12.055 6.980 0.608 1.00 0.00 C ATOM 895 OD1 ASP A 61 -10.940 7.400 0.233 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.124 7.262 0.028 1.00 0.00 O ATOM 0 H ASP A 61 -9.338 5.310 0.606 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.075 6.199 2.506 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.857 5.301 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.443 6.662 2.689 1.00 0.00 H new ATOM 901 N GLY A 62 -10.056 3.381 3.223 1.00 0.00 N ATOM 902 CA GLY A 62 -10.125 2.325 4.217 1.00 0.00 C ATOM 903 C GLY A 62 -10.833 1.089 3.697 1.00 0.00 C ATOM 904 O GLY A 62 -10.551 -0.026 4.135 1.00 0.00 O ATOM 0 H GLY A 62 -9.301 3.282 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.116 2.058 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.646 2.694 5.100 1.00 0.00 H new ATOM 908 N VAL A 63 -11.756 1.288 2.761 1.00 0.00 N ATOM 909 CA VAL A 63 -12.506 0.181 2.181 1.00 0.00 C ATOM 910 C VAL A 63 -12.111 -0.047 0.725 1.00 0.00 C ATOM 911 O VAL A 63 -12.111 0.882 -0.082 1.00 0.00 O ATOM 912 CB VAL A 63 -14.026 0.431 2.260 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.410 1.669 1.461 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.796 -0.787 1.774 1.00 0.00 C ATOM 0 H VAL A 63 -12.002 2.205 2.389 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.262 -0.708 2.763 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.290 0.606 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.486 1.827 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.889 2.538 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.130 1.529 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.866 -0.590 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.527 -0.998 0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.548 -1.647 2.396 1.00 0.00 H new ATOM 924 N TYR A 64 -11.772 -1.289 0.396 1.00 0.00 N ATOM 925 CA TYR A 64 -11.372 -1.639 -0.961 1.00 0.00 C ATOM 926 C TYR A 64 -12.357 -2.624 -1.583 1.00 0.00 C ATOM 927 O TYR A 64 -12.450 -3.776 -1.160 1.00 0.00 O ATOM 928 CB TYR A 64 -9.965 -2.238 -0.965 1.00 0.00 C ATOM 929 CG TYR A 64 -9.123 -1.804 -2.144 1.00 0.00 C ATOM 930 CD1 TYR A 64 -9.396 -2.270 -3.424 1.00 0.00 C ATOM 931 CD2 TYR A 64 -8.057 -0.930 -1.977 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.629 -1.876 -4.504 1.00 0.00 C ATOM 933 CE2 TYR A 64 -7.286 -0.532 -3.052 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.576 -1.006 -4.313 1.00 0.00 C ATOM 935 OH TYR A 64 -6.810 -0.612 -5.386 1.00 0.00 O ATOM 0 H TYR A 64 -11.766 -2.070 1.052 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.372 -0.726 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.457 -1.955 -0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.043 -3.325 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.220 -2.951 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.827 -0.555 -0.991 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.853 -2.248 -5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.460 0.148 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.110 0.003 -5.080 1.00 0.00 H new ATOM 945 N GLN A 65 -13.090 -2.163 -2.592 1.00 0.00 N ATOM 946 CA GLN A 65 -14.069 -3.003 -3.273 1.00 0.00 C ATOM 947 C GLN A 65 -15.124 -3.518 -2.298 1.00 0.00 C ATOM 948 O GLN A 65 -15.715 -4.577 -2.511 1.00 0.00 O ATOM 949 CB GLN A 65 -13.370 -4.180 -3.959 1.00 0.00 C ATOM 950 CG GLN A 65 -13.178 -3.986 -5.455 1.00 0.00 C ATOM 951 CD GLN A 65 -12.887 -5.285 -6.179 1.00 0.00 C ATOM 952 OE1 GLN A 65 -11.731 -5.677 -6.336 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.940 -5.963 -6.625 1.00 0.00 N ATOM 0 H GLN A 65 -13.024 -1.212 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.569 -2.395 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.397 -4.335 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.952 -5.086 -3.790 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -14.075 -3.532 -5.877 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.358 -3.288 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.881 -5.601 -6.473 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.806 -6.845 -7.119 1.00 0.00 H new ATOM 962 N GLY A 66 -15.355 -2.765 -1.227 1.00 0.00 N ATOM 963 CA GLY A 66 -16.337 -3.167 -0.238 1.00 0.00 C ATOM 964 C GLY A 66 -15.730 -3.984 0.886 1.00 0.00 C ATOM 965 O GLY A 66 -16.434 -4.718 1.578 1.00 0.00 O ATOM 0 H GLY A 66 -14.880 -1.885 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.812 -2.279 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.120 -3.749 -0.724 1.00 0.00 H new ATOM 969 N LYS A 67 -14.420 -3.854 1.070 1.00 0.00 N ATOM 970 CA LYS A 67 -13.720 -4.584 2.120 1.00 0.00 C ATOM 971 C LYS A 67 -12.918 -3.632 3.000 1.00 0.00 C ATOM 972 O LYS A 67 -11.912 -3.069 2.568 1.00 0.00 O ATOM 973 CB LYS A 67 -12.792 -5.635 1.507 1.00 0.00 C ATOM 974 CG LYS A 67 -12.329 -6.692 2.499 1.00 0.00 C ATOM 975 CD LYS A 67 -13.014 -8.027 2.253 1.00 0.00 C ATOM 976 CE LYS A 67 -12.230 -9.177 2.864 1.00 0.00 C ATOM 977 NZ LYS A 67 -12.315 -9.179 4.351 1.00 0.00 N ATOM 0 H LYS A 67 -13.822 -3.250 0.506 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.464 -5.084 2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.307 -6.125 0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.919 -5.136 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.249 -6.817 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.539 -6.356 3.514 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.018 -8.005 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.123 -8.189 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.611 -10.122 2.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.186 -9.106 2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.767 -9.978 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.928 -8.288 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.309 -9.272 4.642 1.00 0.00 H new ATOM 991 N GLN A 68 -13.371 -3.458 4.236 1.00 0.00 N ATOM 992 CA GLN A 68 -12.697 -2.574 5.180 1.00 0.00 C ATOM 993 C GLN A 68 -11.337 -3.139 5.577 1.00 0.00 C ATOM 994 O GLN A 68 -11.225 -3.888 6.547 1.00 0.00 O ATOM 995 CB GLN A 68 -13.561 -2.369 6.425 1.00 0.00 C ATOM 996 CG GLN A 68 -13.437 -0.978 7.027 1.00 0.00 C ATOM 997 CD GLN A 68 -13.934 0.108 6.094 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.916 -0.075 5.376 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.253 1.249 6.100 1.00 0.00 N ATOM 0 H GLN A 68 -14.202 -3.917 4.608 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.542 -1.612 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.604 -2.553 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.282 -3.108 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -14.002 -0.938 7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.394 -0.787 7.278 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.444 1.357 6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.539 2.017 5.493 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.306 -2.774 4.822 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.953 -3.244 5.097 1.00 0.00 C ATOM 1010 C LEU A 69 -8.333 -2.469 6.255 1.00 0.00 C ATOM 1011 O LEU A 69 -7.682 -3.048 7.125 1.00 0.00 O ATOM 1012 CB LEU A 69 -8.079 -3.108 3.848 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.739 -3.558 2.543 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.840 -3.248 1.357 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -9.065 -5.042 2.595 1.00 0.00 C ATOM 0 H LEU A 69 -10.382 -2.154 4.015 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.010 -4.296 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.779 -2.065 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.168 -3.688 3.996 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.671 -3.007 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.325 -3.575 0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.658 -2.174 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.891 -3.772 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.534 -5.345 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.147 -5.611 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.748 -5.236 3.422 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.541 -1.156 6.261 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.004 -0.302 7.315 1.00 0.00 C ATOM 1029 C PHE A 70 -8.889 0.922 7.528 1.00 0.00 C ATOM 1030 O PHE A 70 -9.792 1.193 6.737 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.576 0.133 6.974 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.493 1.086 5.813 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.962 0.718 4.563 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -5.945 2.348 5.975 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.887 1.592 3.494 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -5.867 3.227 4.911 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.339 2.848 3.669 1.00 0.00 C ATOM 0 H PHE A 70 -9.077 -0.661 5.549 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.986 -0.878 8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.130 0.603 7.851 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.980 -0.752 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.391 -0.263 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.574 2.649 6.944 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.256 1.293 2.524 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.438 4.208 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.280 3.533 2.836 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.623 1.658 8.601 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.396 2.853 8.918 1.00 0.00 C ATOM 1049 C GLN A 71 -8.683 4.109 8.427 1.00 0.00 C ATOM 1050 O GLN A 71 -7.479 4.269 8.626 1.00 0.00 O ATOM 1051 CB GLN A 71 -9.636 2.946 10.426 1.00 0.00 C ATOM 1052 CG GLN A 71 -10.992 3.528 10.792 1.00 0.00 C ATOM 1053 CD GLN A 71 -11.109 4.998 10.438 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -11.589 5.352 9.361 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -10.668 5.861 11.345 1.00 0.00 N ATOM 0 H GLN A 71 -7.878 1.448 9.266 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.356 2.779 8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.548 1.951 10.862 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.854 3.560 10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.774 2.970 10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.162 3.401 11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.278 5.522 12.224 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.719 6.863 11.163 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.435 4.997 7.784 1.00 0.00 N ATOM 1065 CA CYS A 72 -8.876 6.239 7.264 1.00 0.00 C ATOM 1066 C CYS A 72 -9.972 7.276 7.038 1.00 0.00 C ATOM 1067 O CYS A 72 -11.158 6.949 7.031 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.124 5.975 5.958 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.408 6.547 5.965 1.00 0.00 S ATOM 0 H CYS A 72 -10.433 4.879 7.611 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.178 6.633 8.002 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.138 4.904 5.753 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.655 6.463 5.141 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.151 7.134 7.096 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.564 8.528 6.853 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.511 9.613 6.625 1.00 0.00 C ATOM 1077 C ASP A 73 -11.124 9.516 5.232 1.00 0.00 C ATOM 1078 O ASP A 73 -10.754 8.650 4.439 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.820 10.966 6.800 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.916 11.485 8.221 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -9.843 10.666 9.160 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.067 12.714 8.395 1.00 0.00 O ATOM 0 H ASP A 73 -8.585 8.815 6.857 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.311 9.525 7.360 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.771 10.874 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.269 11.691 6.120 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.062 10.411 4.941 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.727 10.426 3.642 1.00 0.00 C ATOM 1089 C GLU A 74 -11.809 11.001 2.567 1.00 0.00 C ATOM 1090 O GLU A 74 -11.358 12.142 2.667 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.018 11.243 3.716 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.982 10.962 2.575 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.408 11.355 2.905 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.596 12.342 3.646 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.338 10.676 2.421 1.00 0.00 O ATOM 0 H GLU A 74 -12.379 11.135 5.586 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.970 9.398 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.517 11.033 4.662 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.767 12.304 3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.656 11.504 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.949 9.900 2.330 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.538 10.202 1.540 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.674 10.631 0.446 1.00 0.00 C ATOM 1104 C ASP A 75 -9.275 10.965 0.954 1.00 0.00 C ATOM 1105 O ASP A 75 -8.713 12.009 0.618 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.280 11.846 -0.262 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.408 11.466 -1.201 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -13.537 11.246 -0.714 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.162 11.387 -2.423 1.00 0.00 O ATOM 0 H ASP A 75 -11.904 9.255 1.442 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.593 9.809 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.653 12.549 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.501 12.361 -0.824 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.717 10.073 1.765 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.383 10.273 2.319 1.00 0.00 C ATOM 1116 C CYS A 76 -6.516 9.036 2.107 1.00 0.00 C ATOM 1117 O CYS A 76 -5.458 9.107 1.479 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.470 10.599 3.811 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.225 12.202 4.173 1.00 0.00 S ATOM 0 H CYS A 76 -9.168 9.205 2.053 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.922 11.112 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.044 9.818 4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.466 10.578 4.236 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.408 12.256 3.636 1.00 0.00 H new ATOM 1125 N GLY A 77 -6.968 7.904 2.636 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.222 6.669 2.494 1.00 0.00 C ATOM 1127 C GLY A 77 -6.012 6.278 1.044 1.00 0.00 C ATOM 1128 O GLY A 77 -6.915 6.420 0.220 1.00 0.00 O ATOM 0 H GLY A 77 -7.839 7.821 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.253 6.776 2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.751 5.868 3.010 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.818 5.786 0.732 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.493 5.373 -0.627 1.00 0.00 C ATOM 1134 C VAL A 78 -3.444 4.266 -0.627 1.00 0.00 C ATOM 1135 O VAL A 78 -2.372 4.413 -0.041 1.00 0.00 O ATOM 1136 CB VAL A 78 -3.975 6.557 -1.466 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.060 7.610 -1.631 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.728 7.158 -0.831 1.00 0.00 C ATOM 0 H VAL A 78 -4.059 5.664 1.403 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.414 4.998 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.707 6.187 -2.456 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.676 8.438 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.921 7.170 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.362 7.978 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.377 7.993 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.965 7.513 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.948 6.399 -0.772 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.761 3.157 -1.288 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.847 2.024 -1.363 1.00 0.00 C ATOM 1150 C PHE A 79 -1.921 2.149 -2.569 1.00 0.00 C ATOM 1151 O PHE A 79 -2.375 2.348 -3.695 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.631 0.713 -1.441 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.970 0.136 -0.095 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.970 -0.312 0.752 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.288 0.043 0.321 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.278 -0.843 1.991 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.603 -0.486 1.558 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.596 -0.929 2.395 1.00 0.00 C ATOM 0 H PHE A 79 -4.644 3.019 -1.779 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.238 2.022 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.553 0.883 -1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.049 -0.016 -2.004 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.938 -0.246 0.441 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.078 0.388 -0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.489 -1.190 2.642 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.635 -0.553 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.839 -1.342 3.363 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.620 2.033 -2.323 1.00 0.00 N ATOM 1169 CA VAL A 80 0.372 2.132 -3.386 1.00 0.00 C ATOM 1170 C VAL A 80 1.588 1.263 -3.084 1.00 0.00 C ATOM 1171 O VAL A 80 1.850 0.924 -1.931 1.00 0.00 O ATOM 1172 CB VAL A 80 0.833 3.587 -3.592 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.317 4.446 -4.095 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.407 4.152 -2.301 1.00 0.00 C ATOM 0 H VAL A 80 -0.228 1.870 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.107 1.779 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 80 1.619 3.597 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.028 5.470 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.677 4.052 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.127 4.432 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.728 5.181 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.644 4.129 -1.523 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.261 3.551 -1.989 1.00 0.00 H new ATOM 1184 N ALA A 81 2.329 0.907 -4.129 1.00 0.00 N ATOM 1185 CA ALA A 81 3.518 0.077 -3.975 1.00 0.00 C ATOM 1186 C ALA A 81 4.646 0.853 -3.304 1.00 0.00 C ATOM 1187 O ALA A 81 4.676 2.083 -3.343 1.00 0.00 O ATOM 1188 CB ALA A 81 3.970 -0.452 -5.327 1.00 0.00 C ATOM 0 H ALA A 81 2.127 1.180 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 81 3.262 -0.767 -3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.858 -1.070 -5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.173 -1.050 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.203 0.385 -5.986 1.00 0.00 H new ATOM 1194 N LEU A 82 5.576 0.125 -2.689 1.00 0.00 N ATOM 1195 CA LEU A 82 6.710 0.745 -2.009 1.00 0.00 C ATOM 1196 C LEU A 82 7.415 1.740 -2.924 1.00 0.00 C ATOM 1197 O LEU A 82 7.721 2.862 -2.522 1.00 0.00 O ATOM 1198 CB LEU A 82 7.698 -0.326 -1.541 1.00 0.00 C ATOM 1199 CG LEU A 82 8.955 0.209 -0.854 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.720 0.363 0.640 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.138 -0.710 -1.118 1.00 0.00 C ATOM 0 H LEU A 82 5.566 -0.894 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 82 6.331 1.284 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.184 -0.997 -0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.999 -0.922 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 82 9.184 1.191 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.625 0.745 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.900 1.061 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.467 -0.606 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 82 11.024 -0.314 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.919 -1.705 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.320 -0.770 -2.191 1.00 0.00 H new ATOM 1213 N ASP A 83 7.666 1.320 -4.161 1.00 0.00 N ATOM 1214 CA ASP A 83 8.329 2.176 -5.138 1.00 0.00 C ATOM 1215 C ASP A 83 7.556 3.478 -5.325 1.00 0.00 C ATOM 1216 O ASP A 83 8.135 4.515 -5.644 1.00 0.00 O ATOM 1217 CB ASP A 83 8.463 1.450 -6.477 1.00 0.00 C ATOM 1218 CG ASP A 83 9.238 0.153 -6.357 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.349 0.177 -5.787 1.00 0.00 O ATOM 1220 OD2 ASP A 83 8.734 -0.886 -6.831 1.00 0.00 O ATOM 0 H ASP A 83 7.420 0.393 -4.509 1.00 0.00 H new ATOM 0 HA ASP A 83 9.325 2.414 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.470 1.241 -6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.962 2.103 -7.193 1.00 0.00 H new ATOM 1225 N LYS A 84 6.243 3.413 -5.118 1.00 0.00 N ATOM 1226 CA LYS A 84 5.391 4.586 -5.257 1.00 0.00 C ATOM 1227 C LYS A 84 5.511 5.493 -4.036 1.00 0.00 C ATOM 1228 O LYS A 84 5.256 6.695 -4.115 1.00 0.00 O ATOM 1229 CB LYS A 84 3.933 4.165 -5.452 1.00 0.00 C ATOM 1230 CG LYS A 84 3.711 3.287 -6.674 1.00 0.00 C ATOM 1231 CD LYS A 84 2.912 4.013 -7.746 1.00 0.00 C ATOM 1232 CE LYS A 84 2.459 3.062 -8.843 1.00 0.00 C ATOM 1233 NZ LYS A 84 1.881 3.790 -10.005 1.00 0.00 N ATOM 0 H LYS A 84 5.749 2.561 -4.854 1.00 0.00 H new ATOM 0 HA LYS A 84 5.721 5.141 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.596 3.630 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.314 5.058 -5.539 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.674 2.980 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.185 2.379 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.042 4.489 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.520 4.807 -8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.306 2.462 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.717 2.372 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.585 3.106 -10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.057 4.343 -9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.597 4.430 -10.405 1.00 0.00 H new ATOM 1247 N LEU A 85 5.903 4.911 -2.905 1.00 0.00 N ATOM 1248 CA LEU A 85 6.057 5.669 -1.669 1.00 0.00 C ATOM 1249 C LEU A 85 7.418 6.353 -1.614 1.00 0.00 C ATOM 1250 O LEU A 85 8.390 5.874 -2.199 1.00 0.00 O ATOM 1251 CB LEU A 85 5.889 4.749 -0.458 1.00 0.00 C ATOM 1252 CG LEU A 85 4.538 4.036 -0.369 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.572 2.962 0.708 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.427 5.038 -0.093 1.00 0.00 C ATOM 0 H LEU A 85 6.119 3.918 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 85 5.284 6.437 -1.646 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.678 3.998 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.033 5.337 0.449 1.00 0.00 H new ATOM 0 HG LEU A 85 4.337 3.554 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.603 2.465 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.343 2.230 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.794 3.420 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.472 4.515 -0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.622 5.547 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.389 5.771 -0.899 1.00 0.00 H new ATOM 1266 N GLU A 86 7.482 7.478 -0.908 1.00 0.00 N ATOM 1267 CA GLU A 86 8.724 8.230 -0.776 1.00 0.00 C ATOM 1268 C GLU A 86 8.942 8.668 0.668 1.00 0.00 C ATOM 1269 O GLU A 86 8.281 9.585 1.156 1.00 0.00 O ATOM 1270 CB GLU A 86 8.705 9.452 -1.696 1.00 0.00 C ATOM 1271 CG GLU A 86 10.079 9.847 -2.210 1.00 0.00 C ATOM 1272 CD GLU A 86 10.012 10.637 -3.504 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.641 11.828 -3.453 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.329 10.062 -4.566 1.00 0.00 O ATOM 0 H GLU A 86 6.687 7.889 -0.418 1.00 0.00 H new ATOM 0 HA GLU A 86 9.548 7.579 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.054 9.247 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.271 10.295 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.590 10.441 -1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.676 8.949 -2.367 1.00 0.00 H new ATOM 1281 N LEU A 87 9.873 8.007 1.349 1.00 0.00 N ATOM 1282 CA LEU A 87 10.177 8.329 2.739 1.00 0.00 C ATOM 1283 C LEU A 87 10.672 9.766 2.871 1.00 0.00 C ATOM 1284 O LEU A 87 11.522 10.213 2.102 1.00 0.00 O ATOM 1285 CB LEU A 87 11.228 7.363 3.291 1.00 0.00 C ATOM 1286 CG LEU A 87 11.357 7.351 4.815 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.122 6.732 5.451 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.610 6.598 5.237 1.00 0.00 C ATOM 0 H LEU A 87 10.430 7.245 0.961 1.00 0.00 H new ATOM 0 HA LEU A 87 9.259 8.226 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.986 6.355 2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.196 7.619 2.861 1.00 0.00 H new ATOM 0 HG LEU A 87 11.441 8.381 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.232 6.732 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.241 7.312 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.006 5.707 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.686 6.599 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.555 5.570 4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.488 7.084 4.811 1.00 0.00 H new ATOM 1300 N ILE A 88 10.133 10.482 3.852 1.00 0.00 N ATOM 1301 CA ILE A 88 10.518 11.868 4.087 1.00 0.00 C ATOM 1302 C ILE A 88 11.671 11.957 5.081 1.00 0.00 C ATOM 1303 O ILE A 88 11.661 11.292 6.118 1.00 0.00 O ATOM 1304 CB ILE A 88 9.333 12.699 4.616 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.095 12.472 3.747 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.697 14.175 4.656 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.815 12.978 4.377 1.00 0.00 C ATOM 0 H ILE A 88 9.428 10.125 4.497 1.00 0.00 H new ATOM 0 HA ILE A 88 10.837 12.275 3.127 1.00 0.00 H new ATOM 0 HB ILE A 88 9.105 12.375 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 88 8.239 12.968 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.994 11.406 3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.850 14.749 5.032 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.554 14.321 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.948 14.515 3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.978 12.784 3.706 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.648 12.464 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.896 14.050 4.555 1.00 0.00 H new ATOM 1319 N GLU A 89 12.663 12.780 4.758 1.00 0.00 N ATOM 1320 CA GLU A 89 13.823 12.954 5.624 1.00 0.00 C ATOM 1321 C GLU A 89 14.571 14.239 5.280 1.00 0.00 C ATOM 1322 O GLU A 89 15.006 14.430 4.145 1.00 0.00 O ATOM 1323 CB GLU A 89 14.762 11.751 5.500 1.00 0.00 C ATOM 1324 CG GLU A 89 15.141 11.135 6.837 1.00 0.00 C ATOM 1325 CD GLU A 89 15.611 9.699 6.706 1.00 0.00 C ATOM 1326 OE1 GLU A 89 16.446 9.427 5.818 1.00 0.00 O ATOM 1327 OE2 GLU A 89 15.143 8.847 7.490 1.00 0.00 O ATOM 0 H GLU A 89 12.687 13.337 3.904 1.00 0.00 H new ATOM 0 HA GLU A 89 13.471 13.026 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.285 10.991 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.669 12.061 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.930 11.731 7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.282 11.172 7.507 1.00 0.00 H new ATOM 1334 N SER A 90 14.716 15.116 6.269 1.00 0.00 N ATOM 1335 CA SER A 90 15.410 16.384 6.072 1.00 0.00 C ATOM 1336 C SER A 90 14.724 17.220 4.995 1.00 0.00 C ATOM 1337 O SER A 90 14.759 16.878 3.814 1.00 0.00 O ATOM 1338 CB SER A 90 16.872 16.136 5.691 1.00 0.00 C ATOM 1339 OG SER A 90 17.006 15.895 4.301 1.00 0.00 O ATOM 0 H SER A 90 14.362 14.972 7.215 1.00 0.00 H new ATOM 0 HA SER A 90 15.376 16.938 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.475 16.999 5.973 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.256 15.282 6.249 1.00 0.00 H new ATOM 0 HG SER A 90 16.124 15.714 3.914 1.00 0.00 H new ATOM 1345 N GLY A 91 14.102 18.317 5.412 1.00 0.00 N ATOM 1346 CA GLY A 91 13.417 19.185 4.472 1.00 0.00 C ATOM 1347 C GLY A 91 12.314 19.996 5.127 1.00 0.00 C ATOM 1348 O GLY A 91 11.215 19.486 5.346 1.00 0.00 O ATOM 0 H GLY A 91 14.060 18.621 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.139 19.862 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.993 18.582 3.669 1.00 0.00 H new ATOM 1352 N PRO A 92 12.575 21.274 5.455 1.00 0.00 N ATOM 1353 CA PRO A 92 11.580 22.143 6.092 1.00 0.00 C ATOM 1354 C PRO A 92 10.417 22.471 5.159 1.00 0.00 C ATOM 1355 O PRO A 92 10.413 22.073 3.994 1.00 0.00 O ATOM 1356 CB PRO A 92 12.370 23.411 6.426 1.00 0.00 C ATOM 1357 CG PRO A 92 13.510 23.415 5.467 1.00 0.00 C ATOM 1358 CD PRO A 92 13.856 21.971 5.233 1.00 0.00 C ATOM 0 HA PRO A 92 11.125 21.669 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 92 11.754 24.303 6.311 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.721 23.397 7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.234 23.907 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.362 23.960 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.234 21.806 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.627 21.625 5.922 1.00 0.00 H new ATOM 1366 N SER A 93 9.433 23.195 5.681 1.00 0.00 N ATOM 1367 CA SER A 93 8.264 23.575 4.895 1.00 0.00 C ATOM 1368 C SER A 93 8.244 25.079 4.641 1.00 0.00 C ATOM 1369 O SER A 93 8.877 25.849 5.362 1.00 0.00 O ATOM 1370 CB SER A 93 6.982 23.150 5.614 1.00 0.00 C ATOM 1371 OG SER A 93 6.027 22.645 4.697 1.00 0.00 O ATOM 0 H SER A 93 9.421 23.530 6.644 1.00 0.00 H new ATOM 0 HA SER A 93 8.321 23.064 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.214 22.388 6.358 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.562 24.002 6.149 1.00 0.00 H new ATOM 0 HG SER A 93 5.218 22.379 5.181 1.00 0.00 H new ATOM 1377 N SER A 94 7.512 25.489 3.610 1.00 0.00 N ATOM 1378 CA SER A 94 7.409 26.900 3.260 1.00 0.00 C ATOM 1379 C SER A 94 6.136 27.513 3.836 1.00 0.00 C ATOM 1380 O SER A 94 6.142 28.646 4.316 1.00 0.00 O ATOM 1381 CB SER A 94 7.428 27.073 1.740 1.00 0.00 C ATOM 1382 OG SER A 94 7.987 28.324 1.375 1.00 0.00 O ATOM 0 H SER A 94 6.982 24.864 3.003 1.00 0.00 H new ATOM 0 HA SER A 94 8.267 27.418 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.005 26.267 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.413 26.997 1.350 1.00 0.00 H new ATOM 0 HG SER A 94 7.989 28.409 0.399 1.00 0.00 H new ATOM 1388 N GLY A 95 5.045 26.754 3.785 1.00 0.00 N ATOM 1389 CA GLY A 95 3.781 27.239 4.305 1.00 0.00 C ATOM 1390 C GLY A 95 3.770 27.328 5.819 1.00 0.00 C ATOM 1391 O GLY A 95 2.798 27.881 6.375 1.00 0.00 O ATOM 1392 OXT GLY A 95 4.734 26.843 6.448 1.00 0.00 O ATOM 0 H GLY A 95 5.015 25.813 3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.573 28.223 3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.979 26.577 3.978 1.00 0.00 H new TER 1396 GLY A 95