USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 597 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 7 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= -1.27 (180deg=-1.27) USER MOD Single : A 14 SER OG : rot 180:sc= 0.291 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00331 X(o=-0.0033,f=-0.025) USER MOD Single : A 34 THR OG1 : rot -150:sc= -1.24 USER MOD Single : A 37 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-6.9!) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0.41 (180deg=0.2) USER MOD Single : A 52 ASN :FLIP amide:sc= -5.15! C(o=-6.3!,f=-5.2!) USER MOD Single : A 54 MET CE :methyl 161:sc= -0.0879 (180deg=-0.404) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -81:sc= -1.49 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.0487 F(o=-3.4!,f=-0.049) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 4 3.502 14.153 4.804 1.00 0.00 N ATOM 40 CA VAL A 4 2.826 13.019 5.422 1.00 0.00 C ATOM 41 C VAL A 4 2.938 11.765 4.557 1.00 0.00 C ATOM 42 O VAL A 4 2.484 11.749 3.413 1.00 0.00 O ATOM 43 CB VAL A 4 1.341 13.320 5.687 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.920 12.727 7.020 1.00 0.00 C ATOM 45 CG2 VAL A 4 1.076 14.819 5.654 1.00 0.00 C ATOM 0 HA VAL A 4 3.325 12.841 6.375 1.00 0.00 H new ATOM 0 HB VAL A 4 0.747 12.860 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.133 12.945 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.069 11.647 7.001 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.522 13.162 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.019 15.006 5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.675 15.311 6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.344 15.214 4.674 1.00 0.00 H new ATOM 55 N VAL A 5 3.527 10.709 5.113 1.00 0.00 N ATOM 56 CA VAL A 5 3.677 9.448 4.390 1.00 0.00 C ATOM 57 C VAL A 5 2.839 8.343 5.025 1.00 0.00 C ATOM 58 O VAL A 5 3.118 7.910 6.141 1.00 0.00 O ATOM 59 CB VAL A 5 5.149 8.985 4.343 1.00 0.00 C ATOM 60 CG1 VAL A 5 5.268 7.640 3.640 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.012 10.027 3.650 1.00 0.00 C ATOM 0 H VAL A 5 3.907 10.701 6.059 1.00 0.00 H new ATOM 0 HA VAL A 5 3.329 9.634 3.374 1.00 0.00 H new ATOM 0 HB VAL A 5 5.504 8.867 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.313 7.332 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.682 6.895 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.894 7.728 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.047 9.685 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.655 10.176 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.954 10.969 4.196 1.00 0.00 H new ATOM 71 N ALA A 6 1.833 7.864 4.297 1.00 0.00 N ATOM 72 CA ALA A 6 0.996 6.773 4.783 1.00 0.00 C ATOM 73 C ALA A 6 1.547 5.443 4.287 1.00 0.00 C ATOM 74 O ALA A 6 2.434 5.421 3.437 1.00 0.00 O ATOM 75 CB ALA A 6 -0.444 6.961 4.333 1.00 0.00 C ATOM 0 H ALA A 6 1.579 8.213 3.373 1.00 0.00 H new ATOM 0 HA ALA A 6 1.009 6.775 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.052 6.137 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.828 7.902 4.726 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.485 6.979 3.244 1.00 0.00 H new ATOM 81 N THR A 7 1.050 4.336 4.830 1.00 0.00 N ATOM 82 CA THR A 7 1.540 3.027 4.418 1.00 0.00 C ATOM 83 C THR A 7 0.430 1.980 4.357 1.00 0.00 C ATOM 84 O THR A 7 -0.357 1.811 5.302 1.00 0.00 O ATOM 85 CB THR A 7 2.656 2.557 5.343 1.00 0.00 C ATOM 86 OG1 THR A 7 3.606 3.588 5.551 1.00 0.00 O ATOM 87 CG2 THR A 7 3.394 1.348 4.813 1.00 0.00 C ATOM 0 H THR A 7 0.321 4.318 5.544 1.00 0.00 H new ATOM 0 HA THR A 7 1.933 3.141 3.408 1.00 0.00 H new ATOM 0 HB THR A 7 2.165 2.284 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.313 3.266 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.176 1.062 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.696 0.520 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.843 1.589 3.850 1.00 0.00 H new ATOM 95 N ILE A 8 0.423 1.253 3.241 1.00 0.00 N ATOM 96 CA ILE A 8 -0.558 0.209 2.975 1.00 0.00 C ATOM 97 C ILE A 8 0.144 -1.141 2.770 1.00 0.00 C ATOM 98 O ILE A 8 0.798 -1.356 1.753 1.00 0.00 O ATOM 99 CB ILE A 8 -1.375 0.559 1.713 1.00 0.00 C ATOM 100 CG1 ILE A 8 -1.673 2.065 1.664 1.00 0.00 C ATOM 101 CG2 ILE A 8 -2.656 -0.242 1.671 1.00 0.00 C ATOM 102 CD1 ILE A 8 -2.755 2.514 2.627 1.00 0.00 C ATOM 0 H ILE A 8 1.104 1.375 2.492 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.228 0.138 3.832 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.782 0.300 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.757 2.613 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.970 2.333 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.219 0.018 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.420 -1.306 1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.255 -0.017 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.905 3.589 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.686 1.996 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.453 2.280 3.648 1.00 0.00 H new ATOM 114 N LYS A 9 0.062 -2.021 3.772 1.00 0.00 N ATOM 115 CA LYS A 9 0.736 -3.326 3.712 1.00 0.00 C ATOM 116 C LYS A 9 -0.182 -4.419 3.177 1.00 0.00 C ATOM 117 O LYS A 9 -0.914 -5.055 3.932 1.00 0.00 O ATOM 118 CB LYS A 9 1.257 -3.727 5.089 1.00 0.00 C ATOM 119 CG LYS A 9 1.427 -2.559 6.051 1.00 0.00 C ATOM 120 CD LYS A 9 2.878 -2.140 6.179 1.00 0.00 C ATOM 121 CE LYS A 9 3.659 -3.095 7.067 1.00 0.00 C ATOM 122 NZ LYS A 9 3.587 -2.705 8.503 1.00 0.00 N ATOM 0 H LYS A 9 -0.461 -1.857 4.632 1.00 0.00 H new ATOM 0 HA LYS A 9 1.573 -3.219 3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.571 -4.450 5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.217 -4.230 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.834 -1.713 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.041 -2.837 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.336 -2.105 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.932 -1.132 6.591 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.268 -4.105 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.701 -3.116 6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.132 -3.382 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.983 -1.751 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.595 -2.710 8.815 1.00 0.00 H new ATOM 136 N VAL A 10 -0.115 -4.654 1.876 1.00 0.00 N ATOM 137 CA VAL A 10 -0.985 -5.635 1.223 1.00 0.00 C ATOM 138 C VAL A 10 -0.330 -7.014 1.135 1.00 0.00 C ATOM 139 O VAL A 10 0.848 -7.132 0.806 1.00 0.00 O ATOM 140 CB VAL A 10 -1.406 -5.154 -0.195 1.00 0.00 C ATOM 141 CG1 VAL A 10 -1.150 -3.661 -0.350 1.00 0.00 C ATOM 142 CG2 VAL A 10 -0.695 -5.932 -1.295 1.00 0.00 C ATOM 0 H VAL A 10 0.532 -4.181 1.246 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.876 -5.727 1.844 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.474 -5.343 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.450 -3.342 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.727 -3.114 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.089 -3.457 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.018 -5.564 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.382 -5.799 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.940 -6.991 -1.208 1.00 0.00 H new ATOM 152 N MET A 11 -1.104 -8.060 1.439 1.00 0.00 N ATOM 153 CA MET A 11 -0.597 -9.427 1.364 1.00 0.00 C ATOM 154 C MET A 11 -1.704 -10.418 0.966 1.00 0.00 C ATOM 155 O MET A 11 -2.717 -10.561 1.660 1.00 0.00 O ATOM 156 CB MET A 11 0.065 -9.837 2.695 1.00 0.00 C ATOM 157 CG MET A 11 -0.848 -10.562 3.676 1.00 0.00 C ATOM 158 SD MET A 11 0.013 -11.838 4.614 1.00 0.00 S ATOM 159 CE MET A 11 -0.319 -13.281 3.605 1.00 0.00 C ATOM 0 H MET A 11 -2.077 -7.984 1.737 1.00 0.00 H new ATOM 0 HA MET A 11 0.163 -9.458 0.583 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.919 -10.478 2.476 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.455 -8.942 3.180 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.280 -9.838 4.367 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.676 -11.014 3.130 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.150 -14.156 4.056 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.395 -13.439 3.540 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.086 -13.127 2.605 1.00 0.00 H new ATOM 169 N PRO A 12 -1.526 -11.112 -0.174 1.00 0.00 N ATOM 170 CA PRO A 12 -2.484 -12.111 -0.663 1.00 0.00 C ATOM 171 C PRO A 12 -2.519 -13.341 0.234 1.00 0.00 C ATOM 172 O PRO A 12 -1.497 -13.992 0.455 1.00 0.00 O ATOM 173 CB PRO A 12 -1.956 -12.481 -2.057 1.00 0.00 C ATOM 174 CG PRO A 12 -0.975 -11.410 -2.392 1.00 0.00 C ATOM 175 CD PRO A 12 -0.381 -10.989 -1.081 1.00 0.00 C ATOM 0 HA PRO A 12 -3.503 -11.725 -0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.483 -13.463 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.764 -12.520 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.206 -11.780 -3.071 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.463 -10.572 -2.889 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.447 -11.632 -0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.004 -9.970 -1.116 1.00 0.00 H new ATOM 183 N GLU A 13 -3.694 -13.631 0.778 1.00 0.00 N ATOM 184 CA GLU A 13 -3.868 -14.771 1.671 1.00 0.00 C ATOM 185 C GLU A 13 -3.445 -16.071 0.997 1.00 0.00 C ATOM 186 O GLU A 13 -3.021 -17.017 1.663 1.00 0.00 O ATOM 187 CB GLU A 13 -5.325 -14.869 2.129 1.00 0.00 C ATOM 188 CG GLU A 13 -5.561 -14.326 3.529 1.00 0.00 C ATOM 189 CD GLU A 13 -6.767 -13.411 3.606 1.00 0.00 C ATOM 190 OE1 GLU A 13 -7.851 -13.816 3.138 1.00 0.00 O ATOM 191 OE2 GLU A 13 -6.628 -12.288 4.136 1.00 0.00 O ATOM 0 H GLU A 13 -4.544 -13.091 0.616 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.229 -14.615 2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.955 -14.324 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.638 -15.913 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.697 -15.159 4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.676 -13.782 3.857 1.00 0.00 H new ATOM 198 N SER A 14 -3.575 -16.120 -0.324 1.00 0.00 N ATOM 199 CA SER A 14 -3.207 -17.310 -1.080 1.00 0.00 C ATOM 200 C SER A 14 -1.697 -17.404 -1.255 1.00 0.00 C ATOM 201 O SER A 14 -1.003 -16.388 -1.274 1.00 0.00 O ATOM 202 CB SER A 14 -3.876 -17.298 -2.457 1.00 0.00 C ATOM 203 OG SER A 14 -3.006 -16.775 -3.445 1.00 0.00 O ATOM 0 H SER A 14 -3.932 -15.351 -0.892 1.00 0.00 H new ATOM 0 HA SER A 14 -3.550 -18.178 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.172 -18.311 -2.729 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.786 -16.700 -2.417 1.00 0.00 H new ATOM 0 HG SER A 14 -3.458 -16.780 -4.315 1.00 0.00 H new ATOM 209 N PRO A 15 -1.169 -18.629 -1.414 1.00 0.00 N ATOM 210 CA PRO A 15 0.261 -18.838 -1.630 1.00 0.00 C ATOM 211 C PRO A 15 0.697 -18.315 -2.991 1.00 0.00 C ATOM 212 O PRO A 15 1.887 -18.282 -3.305 1.00 0.00 O ATOM 213 CB PRO A 15 0.421 -20.357 -1.557 1.00 0.00 C ATOM 214 CG PRO A 15 -0.916 -20.898 -1.928 1.00 0.00 C ATOM 215 CD PRO A 15 -1.923 -19.899 -1.425 1.00 0.00 C ATOM 0 HA PRO A 15 0.874 -18.309 -0.901 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.193 -20.707 -2.242 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.713 -20.676 -0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.999 -21.026 -3.007 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.079 -21.877 -1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.794 -19.843 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.286 -20.160 -0.431 1.00 0.00 H new ATOM 223 N ASP A 16 -0.282 -17.908 -3.797 1.00 0.00 N ATOM 224 CA ASP A 16 -0.008 -17.362 -5.120 1.00 0.00 C ATOM 225 C ASP A 16 0.165 -15.850 -5.042 1.00 0.00 C ATOM 226 O ASP A 16 -0.226 -15.120 -5.954 1.00 0.00 O ATOM 227 CB ASP A 16 -1.139 -17.714 -6.088 1.00 0.00 C ATOM 228 CG ASP A 16 -0.662 -18.561 -7.250 1.00 0.00 C ATOM 229 OD1 ASP A 16 -0.206 -19.699 -7.009 1.00 0.00 O ATOM 230 OD2 ASP A 16 -0.741 -18.085 -8.404 1.00 0.00 O ATOM 0 H ASP A 16 -1.272 -17.947 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 16 0.917 -17.803 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.921 -18.249 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.585 -16.796 -6.470 1.00 0.00 H new ATOM 235 N VAL A 17 0.739 -15.389 -3.935 1.00 0.00 N ATOM 236 CA VAL A 17 0.956 -13.961 -3.718 1.00 0.00 C ATOM 237 C VAL A 17 2.012 -13.423 -4.693 1.00 0.00 C ATOM 238 O VAL A 17 3.208 -13.383 -4.400 1.00 0.00 O ATOM 239 CB VAL A 17 1.311 -13.648 -2.232 1.00 0.00 C ATOM 240 CG1 VAL A 17 1.741 -14.903 -1.499 1.00 0.00 C ATOM 241 CG2 VAL A 17 2.356 -12.546 -2.087 1.00 0.00 C ATOM 0 H VAL A 17 1.063 -15.984 -3.173 1.00 0.00 H new ATOM 0 HA VAL A 17 0.020 -13.441 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 17 0.398 -13.271 -1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.983 -14.656 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.930 -15.631 -1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.620 -15.326 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.560 -12.375 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.275 -12.848 -2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.981 -11.627 -2.538 1.00 0.00 H new ATOM 251 N ASP A 18 1.562 -13.132 -5.909 1.00 0.00 N ATOM 252 CA ASP A 18 2.428 -12.566 -6.935 1.00 0.00 C ATOM 253 C ASP A 18 2.712 -11.103 -6.624 1.00 0.00 C ATOM 254 O ASP A 18 1.874 -10.241 -6.872 1.00 0.00 O ATOM 255 CB ASP A 18 1.777 -12.695 -8.313 1.00 0.00 C ATOM 256 CG ASP A 18 2.186 -13.967 -9.030 1.00 0.00 C ATOM 257 OD1 ASP A 18 3.295 -13.995 -9.604 1.00 0.00 O ATOM 258 OD2 ASP A 18 1.398 -14.935 -9.018 1.00 0.00 O ATOM 0 H ASP A 18 0.598 -13.280 -6.208 1.00 0.00 H new ATOM 0 HA ASP A 18 3.369 -13.117 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.693 -12.676 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.050 -11.834 -8.923 1.00 0.00 H new ATOM 263 N LEU A 19 3.861 -10.834 -6.014 1.00 0.00 N ATOM 264 CA LEU A 19 4.218 -9.469 -5.640 1.00 0.00 C ATOM 265 C LEU A 19 4.393 -8.583 -6.869 1.00 0.00 C ATOM 266 O LEU A 19 3.947 -7.439 -6.877 1.00 0.00 O ATOM 267 CB LEU A 19 5.474 -9.443 -4.745 1.00 0.00 C ATOM 268 CG LEU A 19 6.835 -9.715 -5.414 1.00 0.00 C ATOM 269 CD1 LEU A 19 6.772 -10.913 -6.349 1.00 0.00 C ATOM 270 CD2 LEU A 19 7.341 -8.477 -6.146 1.00 0.00 C ATOM 0 H LEU A 19 4.558 -11.538 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 19 3.391 -9.062 -5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.525 -8.465 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.337 -10.179 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 19 7.545 -9.956 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.751 -11.073 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.484 -11.800 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.037 -10.726 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.303 -8.696 -6.609 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.624 -8.191 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.458 -7.657 -5.437 1.00 0.00 H new ATOM 282 N GLU A 20 4.975 -9.135 -7.928 1.00 0.00 N ATOM 283 CA GLU A 20 5.197 -8.375 -9.150 1.00 0.00 C ATOM 284 C GLU A 20 3.874 -8.080 -9.824 1.00 0.00 C ATOM 285 O GLU A 20 3.663 -6.984 -10.343 1.00 0.00 O ATOM 286 CB GLU A 20 6.118 -9.147 -10.100 1.00 0.00 C ATOM 287 CG GLU A 20 6.240 -8.519 -11.480 1.00 0.00 C ATOM 288 CD GLU A 20 7.376 -7.520 -11.568 1.00 0.00 C ATOM 289 OE1 GLU A 20 7.546 -6.727 -10.618 1.00 0.00 O ATOM 290 OE2 GLU A 20 8.097 -7.529 -12.589 1.00 0.00 O ATOM 0 H GLU A 20 5.300 -10.101 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 20 5.680 -7.432 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.110 -9.216 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.744 -10.165 -10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.394 -9.304 -12.220 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.304 -8.022 -11.733 1.00 0.00 H new ATOM 297 N ALA A 21 2.972 -9.047 -9.791 1.00 0.00 N ATOM 298 CA ALA A 21 1.650 -8.842 -10.349 1.00 0.00 C ATOM 299 C ALA A 21 0.868 -7.880 -9.473 1.00 0.00 C ATOM 300 O ALA A 21 0.111 -7.044 -9.958 1.00 0.00 O ATOM 301 CB ALA A 21 0.913 -10.163 -10.501 1.00 0.00 C ATOM 0 H ALA A 21 3.130 -9.971 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 21 1.751 -8.408 -11.344 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.076 -9.982 -10.922 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.475 -10.819 -11.166 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.811 -10.637 -9.525 1.00 0.00 H new ATOM 307 N LEU A 22 1.052 -8.013 -8.171 1.00 0.00 N ATOM 308 CA LEU A 22 0.398 -7.132 -7.223 1.00 0.00 C ATOM 309 C LEU A 22 0.959 -5.726 -7.345 1.00 0.00 C ATOM 310 O LEU A 22 0.267 -4.743 -7.092 1.00 0.00 O ATOM 311 CB LEU A 22 0.584 -7.660 -5.802 1.00 0.00 C ATOM 312 CG LEU A 22 -0.710 -8.027 -5.074 1.00 0.00 C ATOM 313 CD1 LEU A 22 -0.425 -8.357 -3.621 1.00 0.00 C ATOM 314 CD2 LEU A 22 -1.729 -6.903 -5.184 1.00 0.00 C ATOM 0 H LEU A 22 1.649 -8.723 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.669 -7.101 -7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.225 -8.541 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.111 -6.907 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.133 -8.912 -5.550 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.356 -8.616 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.263 -9.201 -3.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.023 -7.492 -3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.641 -7.186 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.320 -5.996 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.957 -6.720 -6.234 1.00 0.00 H new ATOM 326 N LYS A 23 2.217 -5.651 -7.754 1.00 0.00 N ATOM 327 CA LYS A 23 2.907 -4.381 -7.915 1.00 0.00 C ATOM 328 C LYS A 23 2.155 -3.469 -8.870 1.00 0.00 C ATOM 329 O LYS A 23 1.980 -2.281 -8.599 1.00 0.00 O ATOM 330 CB LYS A 23 4.324 -4.629 -8.438 1.00 0.00 C ATOM 331 CG LYS A 23 5.411 -4.350 -7.412 1.00 0.00 C ATOM 332 CD LYS A 23 6.554 -3.547 -8.011 1.00 0.00 C ATOM 333 CE LYS A 23 7.868 -4.308 -7.937 1.00 0.00 C ATOM 334 NZ LYS A 23 9.013 -3.409 -7.618 1.00 0.00 N ATOM 0 H LYS A 23 2.786 -6.466 -7.983 1.00 0.00 H new ATOM 0 HA LYS A 23 2.956 -3.889 -6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.404 -5.665 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.494 -4.002 -9.314 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.985 -3.805 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.794 -5.293 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.328 -3.310 -9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.651 -2.599 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.795 -5.086 -7.177 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.052 -4.807 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.890 -3.966 -7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.099 -2.681 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.849 -2.952 -6.698 1.00 0.00 H new ATOM 348 N LYS A 24 1.742 -4.020 -10.003 1.00 0.00 N ATOM 349 CA LYS A 24 0.999 -3.249 -10.988 1.00 0.00 C ATOM 350 C LYS A 24 -0.380 -2.907 -10.460 1.00 0.00 C ATOM 351 O LYS A 24 -0.876 -1.795 -10.645 1.00 0.00 O ATOM 352 CB LYS A 24 0.887 -4.034 -12.290 1.00 0.00 C ATOM 353 CG LYS A 24 0.260 -5.404 -12.136 1.00 0.00 C ATOM 354 CD LYS A 24 -0.124 -5.996 -13.481 1.00 0.00 C ATOM 355 CE LYS A 24 0.683 -7.244 -13.794 1.00 0.00 C ATOM 356 NZ LYS A 24 1.269 -7.197 -15.162 1.00 0.00 N ATOM 0 H LYS A 24 1.908 -4.993 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 24 1.535 -2.320 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.298 -3.455 -13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.882 -4.148 -12.719 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.959 -6.070 -11.631 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.625 -5.331 -11.504 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.186 -6.239 -13.482 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.034 -5.254 -14.264 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.482 -7.353 -13.060 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.044 -8.122 -13.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.812 -8.067 -15.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.506 -7.118 -15.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.899 -6.373 -15.242 1.00 0.00 H new ATOM 370 N GLU A 25 -0.989 -3.878 -9.800 1.00 0.00 N ATOM 371 CA GLU A 25 -2.316 -3.693 -9.225 1.00 0.00 C ATOM 372 C GLU A 25 -2.272 -2.652 -8.116 1.00 0.00 C ATOM 373 O GLU A 25 -3.265 -1.980 -7.834 1.00 0.00 O ATOM 374 CB GLU A 25 -2.851 -5.018 -8.681 1.00 0.00 C ATOM 375 CG GLU A 25 -3.051 -6.079 -9.752 1.00 0.00 C ATOM 376 CD GLU A 25 -4.372 -5.930 -10.481 1.00 0.00 C ATOM 377 OE1 GLU A 25 -4.485 -5.017 -11.326 1.00 0.00 O ATOM 378 OE2 GLU A 25 -5.294 -6.727 -10.209 1.00 0.00 O ATOM 0 H GLU A 25 -0.588 -4.803 -9.648 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.986 -3.341 -10.010 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.159 -5.398 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.801 -4.838 -8.178 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.235 -6.022 -10.472 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.003 -7.067 -9.293 1.00 0.00 H new ATOM 385 N ILE A 26 -1.112 -2.540 -7.481 1.00 0.00 N ATOM 386 CA ILE A 26 -0.911 -1.590 -6.397 1.00 0.00 C ATOM 387 C ILE A 26 -1.081 -0.154 -6.886 1.00 0.00 C ATOM 388 O ILE A 26 -1.728 0.662 -6.228 1.00 0.00 O ATOM 389 CB ILE A 26 0.486 -1.768 -5.759 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.410 -2.770 -4.606 1.00 0.00 C ATOM 391 CG2 ILE A 26 1.039 -0.436 -5.268 1.00 0.00 C ATOM 392 CD1 ILE A 26 1.689 -3.547 -4.395 1.00 0.00 C ATOM 0 H ILE A 26 -0.290 -3.102 -7.702 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.670 -1.790 -5.640 1.00 0.00 H new ATOM 0 HB ILE A 26 1.164 -2.152 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.163 -2.237 -3.688 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.403 -3.470 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.022 -0.592 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.125 0.254 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.366 -0.016 -4.521 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.562 -4.238 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.927 -4.108 -5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.502 -2.856 -4.172 1.00 0.00 H new ATOM 404 N GLN A 27 -0.475 0.155 -8.027 1.00 0.00 N ATOM 405 CA GLN A 27 -0.555 1.496 -8.592 1.00 0.00 C ATOM 406 C GLN A 27 -2.005 1.878 -8.867 1.00 0.00 C ATOM 407 O GLN A 27 -2.388 3.041 -8.736 1.00 0.00 O ATOM 408 CB GLN A 27 0.259 1.577 -9.886 1.00 0.00 C ATOM 409 CG GLN A 27 1.633 0.935 -9.783 1.00 0.00 C ATOM 410 CD GLN A 27 2.759 1.923 -10.020 1.00 0.00 C ATOM 411 OE1 GLN A 27 2.806 2.593 -11.053 1.00 0.00 O ATOM 412 NE2 GLN A 27 3.675 2.018 -9.064 1.00 0.00 N ATOM 0 H GLN A 27 0.076 -0.504 -8.578 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.141 2.197 -7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.299 1.093 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.377 2.624 -10.166 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.748 0.489 -8.795 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.707 0.125 -10.509 1.00 0.00 H new ATOM 0 HE21 GLN A 27 3.597 1.444 -8.224 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.457 2.665 -9.169 1.00 0.00 H new ATOM 421 N GLU A 28 -2.802 0.890 -9.257 1.00 0.00 N ATOM 422 CA GLU A 28 -4.209 1.115 -9.567 1.00 0.00 C ATOM 423 C GLU A 28 -5.036 1.306 -8.300 1.00 0.00 C ATOM 424 O GLU A 28 -6.120 1.887 -8.340 1.00 0.00 O ATOM 425 CB GLU A 28 -4.763 -0.059 -10.376 1.00 0.00 C ATOM 426 CG GLU A 28 -3.804 -0.572 -11.437 1.00 0.00 C ATOM 427 CD GLU A 28 -3.546 0.446 -12.532 1.00 0.00 C ATOM 428 OE1 GLU A 28 -4.520 0.870 -13.189 1.00 0.00 O ATOM 429 OE2 GLU A 28 -2.371 0.819 -12.731 1.00 0.00 O ATOM 0 H GLU A 28 -2.497 -0.077 -9.366 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.278 2.029 -10.157 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.009 -0.874 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.693 0.247 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.858 -0.842 -10.967 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.211 -1.481 -11.880 1.00 0.00 H new ATOM 436 N ARG A 29 -4.528 0.804 -7.178 1.00 0.00 N ATOM 437 CA ARG A 29 -5.244 0.902 -5.910 1.00 0.00 C ATOM 438 C ARG A 29 -4.906 2.197 -5.175 1.00 0.00 C ATOM 439 O ARG A 29 -5.609 2.593 -4.246 1.00 0.00 O ATOM 440 CB ARG A 29 -4.938 -0.316 -5.031 1.00 0.00 C ATOM 441 CG ARG A 29 -3.756 -0.133 -4.088 1.00 0.00 C ATOM 442 CD ARG A 29 -3.746 -1.209 -3.011 1.00 0.00 C ATOM 443 NE ARG A 29 -3.206 -2.472 -3.502 1.00 0.00 N ATOM 444 CZ ARG A 29 -3.661 -3.663 -3.127 1.00 0.00 C ATOM 445 NH1 ARG A 29 -4.667 -3.753 -2.269 1.00 0.00 N ATOM 446 NH2 ARG A 29 -3.113 -4.765 -3.613 1.00 0.00 N ATOM 0 H ARG A 29 -3.628 0.328 -7.121 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.312 0.918 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.823 -0.555 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.743 -1.173 -5.675 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.825 -0.171 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.806 0.852 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.153 -0.867 -2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.761 -1.366 -2.647 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.436 -2.439 -4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.095 -2.906 -1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.013 -4.669 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.341 -4.701 -4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.463 -5.679 -3.325 1.00 0.00 H new ATOM 460 N ILE A 30 -3.831 2.857 -5.601 1.00 0.00 N ATOM 461 CA ILE A 30 -3.419 4.117 -4.989 1.00 0.00 C ATOM 462 C ILE A 30 -4.544 5.152 -5.079 1.00 0.00 C ATOM 463 O ILE A 30 -5.204 5.266 -6.111 1.00 0.00 O ATOM 464 CB ILE A 30 -2.152 4.684 -5.667 1.00 0.00 C ATOM 465 CG1 ILE A 30 -1.027 3.642 -5.663 1.00 0.00 C ATOM 466 CG2 ILE A 30 -1.698 5.967 -4.980 1.00 0.00 C ATOM 467 CD1 ILE A 30 -0.576 3.230 -4.276 1.00 0.00 C ATOM 0 H ILE A 30 -3.232 2.542 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.194 3.912 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.397 4.922 -6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.363 2.757 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.172 4.042 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.804 6.348 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.491 6.712 -5.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.473 5.760 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.221 2.491 -4.357 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.208 4.104 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.417 2.798 -3.733 1.00 0.00 H new ATOM 479 N PRO A 31 -4.788 5.917 -3.995 1.00 0.00 N ATOM 480 CA PRO A 31 -5.850 6.933 -3.968 1.00 0.00 C ATOM 481 C PRO A 31 -5.690 7.985 -5.059 1.00 0.00 C ATOM 482 O PRO A 31 -4.610 8.545 -5.249 1.00 0.00 O ATOM 483 CB PRO A 31 -5.716 7.575 -2.588 1.00 0.00 C ATOM 484 CG PRO A 31 -4.351 7.209 -2.121 1.00 0.00 C ATOM 485 CD PRO A 31 -4.067 5.859 -2.715 1.00 0.00 C ATOM 0 HA PRO A 31 -6.827 6.485 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.837 8.657 -2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.479 7.203 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.615 7.943 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.305 7.175 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.999 5.695 -2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.431 5.051 -2.080 1.00 0.00 H new ATOM 493 N GLU A 32 -6.777 8.229 -5.778 1.00 0.00 N ATOM 494 CA GLU A 32 -6.799 9.216 -6.856 1.00 0.00 C ATOM 495 C GLU A 32 -6.493 10.624 -6.349 1.00 0.00 C ATOM 496 O GLU A 32 -6.476 11.579 -7.129 1.00 0.00 O ATOM 497 CB GLU A 32 -8.159 9.202 -7.553 1.00 0.00 C ATOM 498 CG GLU A 32 -8.106 8.673 -8.978 1.00 0.00 C ATOM 499 CD GLU A 32 -9.391 7.984 -9.393 1.00 0.00 C ATOM 500 OE1 GLU A 32 -10.104 7.470 -8.505 1.00 0.00 O ATOM 501 OE2 GLU A 32 -9.683 7.954 -10.607 1.00 0.00 O ATOM 0 H GLU A 32 -7.667 7.752 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.019 8.941 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.849 8.590 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.563 10.214 -7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.904 9.498 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.276 7.972 -9.071 1.00 0.00 H new ATOM 508 N GLY A 33 -6.255 10.756 -5.048 1.00 0.00 N ATOM 509 CA GLY A 33 -5.977 12.061 -4.476 1.00 0.00 C ATOM 510 C GLY A 33 -4.530 12.477 -4.652 1.00 0.00 C ATOM 511 O GLY A 33 -4.244 13.493 -5.286 1.00 0.00 O ATOM 0 H GLY A 33 -6.250 9.985 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.624 12.804 -4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.221 12.048 -3.414 1.00 0.00 H new ATOM 515 N THR A 34 -3.615 11.695 -4.090 1.00 0.00 N ATOM 516 CA THR A 34 -2.192 11.996 -4.190 1.00 0.00 C ATOM 517 C THR A 34 -1.462 10.934 -5.011 1.00 0.00 C ATOM 518 O THR A 34 -2.003 10.411 -5.986 1.00 0.00 O ATOM 519 CB THR A 34 -1.576 12.104 -2.794 1.00 0.00 C ATOM 520 OG1 THR A 34 -2.561 12.456 -1.838 1.00 0.00 O ATOM 521 CG2 THR A 34 -0.465 13.129 -2.710 1.00 0.00 C ATOM 0 H THR A 34 -3.833 10.850 -3.562 1.00 0.00 H new ATOM 0 HA THR A 34 -2.082 12.952 -4.701 1.00 0.00 H new ATOM 0 HB THR A 34 -1.157 11.120 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.145 12.968 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.071 13.156 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.333 12.858 -3.402 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.856 14.112 -2.974 1.00 0.00 H new ATOM 529 N GLU A 35 -0.231 10.621 -4.612 1.00 0.00 N ATOM 530 CA GLU A 35 0.574 9.630 -5.312 1.00 0.00 C ATOM 531 C GLU A 35 1.261 8.698 -4.325 1.00 0.00 C ATOM 532 O GLU A 35 1.298 8.966 -3.124 1.00 0.00 O ATOM 533 CB GLU A 35 1.621 10.320 -6.188 1.00 0.00 C ATOM 534 CG GLU A 35 1.079 10.785 -7.528 1.00 0.00 C ATOM 535 CD GLU A 35 0.721 9.632 -8.446 1.00 0.00 C ATOM 536 OE1 GLU A 35 1.431 8.604 -8.413 1.00 0.00 O ATOM 537 OE2 GLU A 35 -0.267 9.756 -9.199 1.00 0.00 O ATOM 0 H GLU A 35 0.229 11.042 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.089 9.040 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.024 11.178 -5.651 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.450 9.633 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.195 11.401 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.821 11.416 -8.016 1.00 0.00 H new ATOM 544 N LEU A 36 1.812 7.607 -4.841 1.00 0.00 N ATOM 545 CA LEU A 36 2.491 6.627 -4.001 1.00 0.00 C ATOM 546 C LEU A 36 3.859 7.139 -3.558 1.00 0.00 C ATOM 547 O LEU A 36 4.221 8.284 -3.827 1.00 0.00 O ATOM 548 CB LEU A 36 2.631 5.290 -4.739 1.00 0.00 C ATOM 549 CG LEU A 36 3.757 5.212 -5.776 1.00 0.00 C ATOM 550 CD1 LEU A 36 3.819 3.817 -6.381 1.00 0.00 C ATOM 551 CD2 LEU A 36 3.564 6.255 -6.867 1.00 0.00 C ATOM 0 H LEU A 36 1.803 7.378 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 36 1.884 6.469 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.789 4.504 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.687 5.073 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 36 4.701 5.419 -5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.623 3.775 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.008 3.087 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.870 3.589 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.376 6.179 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.612 6.084 -7.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.565 7.250 -6.423 1.00 0.00 H new ATOM 563 N HIS A 37 4.597 6.290 -2.852 1.00 0.00 N ATOM 564 CA HIS A 37 5.908 6.657 -2.330 1.00 0.00 C ATOM 565 C HIS A 37 6.952 5.605 -2.664 1.00 0.00 C ATOM 566 O HIS A 37 7.761 5.772 -3.577 1.00 0.00 O ATOM 567 CB HIS A 37 5.827 6.818 -0.812 1.00 0.00 C ATOM 568 CG HIS A 37 7.134 7.160 -0.164 1.00 0.00 C ATOM 569 ND1 HIS A 37 7.655 8.431 -0.223 1.00 0.00 N ATOM 570 CD2 HIS A 37 7.978 6.366 0.542 1.00 0.00 C ATOM 571 CE1 HIS A 37 8.797 8.385 0.441 1.00 0.00 C ATOM 572 NE2 HIS A 37 9.032 7.155 0.921 1.00 0.00 N ATOM 0 H HIS A 37 4.308 5.338 -2.627 1.00 0.00 H new ATOM 0 HA HIS A 37 6.205 7.597 -2.795 1.00 0.00 H new ATOM 0 HB2 HIS A 37 5.102 7.598 -0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.450 5.892 -0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 37 7.845 5.317 0.762 1.00 0.00 H new ATOM 0 HE1 HIS A 37 9.456 9.229 0.579 1.00 0.00 H new ATOM 0 HE2 HIS A 37 9.843 6.862 1.466 1.00 0.00 H new ATOM 580 N LYS A 38 6.914 4.517 -1.910 1.00 0.00 N ATOM 581 CA LYS A 38 7.861 3.427 -2.071 1.00 0.00 C ATOM 582 C LYS A 38 7.336 2.182 -1.362 1.00 0.00 C ATOM 583 O LYS A 38 6.914 2.246 -0.207 1.00 0.00 O ATOM 584 CB LYS A 38 9.231 3.847 -1.520 1.00 0.00 C ATOM 585 CG LYS A 38 9.919 2.796 -0.663 1.00 0.00 C ATOM 586 CD LYS A 38 10.525 1.696 -1.516 1.00 0.00 C ATOM 587 CE LYS A 38 11.780 1.122 -0.879 1.00 0.00 C ATOM 588 NZ LYS A 38 11.464 0.215 0.260 1.00 0.00 N ATOM 0 H LYS A 38 6.227 4.366 -1.171 1.00 0.00 H new ATOM 0 HA LYS A 38 7.978 3.192 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.883 4.098 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.107 4.754 -0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.699 3.266 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.200 2.364 0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.793 0.901 -1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.765 2.091 -2.503 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.350 0.575 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.414 1.937 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.258 -0.439 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.309 0.779 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.604 -0.329 0.043 1.00 0.00 H new ATOM 602 N ILE A 39 7.322 1.062 -2.077 1.00 0.00 N ATOM 603 CA ILE A 39 6.778 -0.178 -1.541 1.00 0.00 C ATOM 604 C ILE A 39 7.844 -1.021 -0.846 1.00 0.00 C ATOM 605 O ILE A 39 9.034 -0.905 -1.136 1.00 0.00 O ATOM 606 CB ILE A 39 6.110 -1.010 -2.645 1.00 0.00 C ATOM 607 CG1 ILE A 39 5.339 -0.084 -3.593 1.00 0.00 C ATOM 608 CG2 ILE A 39 5.191 -2.052 -2.025 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.365 -0.798 -4.503 1.00 0.00 C ATOM 0 H ILE A 39 7.681 0.989 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 39 6.031 0.107 -0.800 1.00 0.00 H new ATOM 0 HB ILE A 39 6.873 -1.533 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.793 0.651 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.053 0.467 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.721 -2.638 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.772 -2.712 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.421 -1.554 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.862 -0.071 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.905 -1.513 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.625 -1.326 -3.901 1.00 0.00 H new ATOM 621 N ASP A 40 7.399 -1.871 0.076 1.00 0.00 N ATOM 622 CA ASP A 40 8.301 -2.726 0.837 1.00 0.00 C ATOM 623 C ASP A 40 7.956 -4.197 0.655 1.00 0.00 C ATOM 624 O ASP A 40 6.881 -4.640 1.048 1.00 0.00 O ATOM 625 CB ASP A 40 8.215 -2.378 2.321 1.00 0.00 C ATOM 626 CG ASP A 40 9.578 -2.310 2.981 1.00 0.00 C ATOM 627 OD1 ASP A 40 10.329 -3.306 2.898 1.00 0.00 O ATOM 628 OD2 ASP A 40 9.894 -1.264 3.585 1.00 0.00 O ATOM 0 H ASP A 40 6.414 -1.985 0.314 1.00 0.00 H new ATOM 0 HA ASP A 40 9.312 -2.556 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.710 -1.419 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.605 -3.123 2.831 1.00 0.00 H new ATOM 633 N GLU A 41 8.894 -4.965 0.114 1.00 0.00 N ATOM 634 CA GLU A 41 8.684 -6.397 -0.070 1.00 0.00 C ATOM 635 C GLU A 41 8.973 -7.143 1.230 1.00 0.00 C ATOM 636 O GLU A 41 9.993 -7.818 1.361 1.00 0.00 O ATOM 637 CB GLU A 41 9.577 -6.929 -1.194 1.00 0.00 C ATOM 638 CG GLU A 41 9.655 -6.005 -2.398 1.00 0.00 C ATOM 639 CD GLU A 41 10.888 -6.252 -3.246 1.00 0.00 C ATOM 640 OE1 GLU A 41 11.922 -6.669 -2.682 1.00 0.00 O ATOM 641 OE2 GLU A 41 10.821 -6.025 -4.472 1.00 0.00 O ATOM 0 H GLU A 41 9.802 -4.624 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 41 7.643 -6.562 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 41 10.582 -7.089 -0.803 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.202 -7.901 -1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.764 -6.139 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.655 -4.970 -2.057 1.00 0.00 H new ATOM 648 N GLU A 42 8.079 -6.982 2.204 1.00 0.00 N ATOM 649 CA GLU A 42 8.227 -7.627 3.503 1.00 0.00 C ATOM 650 C GLU A 42 7.424 -8.920 3.554 1.00 0.00 C ATOM 651 O GLU A 42 6.277 -8.953 3.128 1.00 0.00 O ATOM 652 CB GLU A 42 7.762 -6.688 4.617 1.00 0.00 C ATOM 653 CG GLU A 42 8.901 -6.123 5.446 1.00 0.00 C ATOM 654 CD GLU A 42 8.514 -5.901 6.894 1.00 0.00 C ATOM 655 OE1 GLU A 42 8.341 -6.900 7.623 1.00 0.00 O ATOM 656 OE2 GLU A 42 8.381 -4.727 7.300 1.00 0.00 O ATOM 0 H GLU A 42 7.241 -6.407 2.115 1.00 0.00 H new ATOM 0 HA GLU A 42 9.281 -7.861 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.200 -5.864 4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.078 -7.226 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.751 -6.804 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.227 -5.178 5.012 1.00 0.00 H new ATOM 663 N PRO A 43 8.014 -10.007 4.078 1.00 0.00 N ATOM 664 CA PRO A 43 7.347 -11.299 4.155 1.00 0.00 C ATOM 665 C PRO A 43 6.496 -11.449 5.406 1.00 0.00 C ATOM 666 O PRO A 43 6.710 -10.762 6.406 1.00 0.00 O ATOM 667 CB PRO A 43 8.506 -12.292 4.158 1.00 0.00 C ATOM 668 CG PRO A 43 9.686 -11.543 4.704 1.00 0.00 C ATOM 669 CD PRO A 43 9.380 -10.064 4.616 1.00 0.00 C ATOM 0 HA PRO A 43 6.646 -11.446 3.333 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.275 -13.161 4.775 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.708 -12.660 3.152 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.876 -11.832 5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.585 -11.781 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.443 -9.586 5.594 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.086 -9.550 3.964 1.00 0.00 H new ATOM 677 N ILE A 44 5.509 -12.333 5.326 1.00 0.00 N ATOM 678 CA ILE A 44 4.577 -12.546 6.425 1.00 0.00 C ATOM 679 C ILE A 44 4.514 -14.015 6.829 1.00 0.00 C ATOM 680 O ILE A 44 5.171 -14.435 7.783 1.00 0.00 O ATOM 681 CB ILE A 44 3.165 -12.064 6.039 1.00 0.00 C ATOM 682 CG1 ILE A 44 3.259 -10.879 5.069 1.00 0.00 C ATOM 683 CG2 ILE A 44 2.371 -11.689 7.282 1.00 0.00 C ATOM 684 CD1 ILE A 44 3.852 -9.627 5.688 1.00 0.00 C ATOM 0 H ILE A 44 5.333 -12.916 4.508 1.00 0.00 H new ATOM 0 HA ILE A 44 4.941 -11.967 7.274 1.00 0.00 H new ATOM 0 HB ILE A 44 2.640 -12.877 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.865 -11.171 4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.262 -10.650 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.377 -11.351 6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.282 -12.559 7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.885 -10.888 7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.886 -8.833 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.235 -9.309 6.528 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.862 -9.838 6.039 1.00 0.00 H new ATOM 696 N ALA A 45 3.706 -14.789 6.109 1.00 0.00 N ATOM 697 CA ALA A 45 3.551 -16.212 6.392 1.00 0.00 C ATOM 698 C ALA A 45 4.839 -16.976 6.093 1.00 0.00 C ATOM 699 O ALA A 45 5.936 -16.424 6.185 1.00 0.00 O ATOM 700 CB ALA A 45 2.392 -16.782 5.588 1.00 0.00 C ATOM 0 H ALA A 45 3.148 -14.453 5.324 1.00 0.00 H new ATOM 0 HA ALA A 45 3.334 -16.328 7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.285 -17.844 5.807 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.472 -16.262 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.587 -16.648 4.524 1.00 0.00 H new ATOM 706 N PHE A 46 4.700 -18.249 5.732 1.00 0.00 N ATOM 707 CA PHE A 46 5.854 -19.081 5.413 1.00 0.00 C ATOM 708 C PHE A 46 6.461 -18.667 4.078 1.00 0.00 C ATOM 709 O PHE A 46 7.667 -18.795 3.865 1.00 0.00 O ATOM 710 CB PHE A 46 5.448 -20.555 5.369 1.00 0.00 C ATOM 711 CG PHE A 46 5.419 -21.213 6.721 1.00 0.00 C ATOM 712 CD1 PHE A 46 4.525 -20.791 7.694 1.00 0.00 C ATOM 713 CD2 PHE A 46 6.283 -22.255 7.017 1.00 0.00 C ATOM 714 CE1 PHE A 46 4.497 -21.395 8.936 1.00 0.00 C ATOM 715 CE2 PHE A 46 6.260 -22.863 8.258 1.00 0.00 C ATOM 716 CZ PHE A 46 5.365 -22.432 9.219 1.00 0.00 C ATOM 0 H PHE A 46 3.801 -18.725 5.654 1.00 0.00 H new ATOM 0 HA PHE A 46 6.603 -18.943 6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.462 -20.638 4.913 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.143 -21.095 4.726 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.843 -19.981 7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.983 -22.596 6.269 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.797 -21.057 9.686 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.940 -23.673 8.476 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.344 -22.905 10.190 1.00 0.00 H new ATOM 726 N GLY A 47 5.618 -18.149 3.189 1.00 0.00 N ATOM 727 CA GLY A 47 6.088 -17.719 1.884 1.00 0.00 C ATOM 728 C GLY A 47 5.253 -16.595 1.295 1.00 0.00 C ATOM 729 O GLY A 47 5.471 -16.189 0.154 1.00 0.00 O ATOM 0 H GLY A 47 4.619 -18.020 3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.124 -17.390 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.077 -18.569 1.201 1.00 0.00 H new ATOM 733 N LEU A 48 4.290 -16.094 2.068 1.00 0.00 N ATOM 734 CA LEU A 48 3.428 -15.011 1.604 1.00 0.00 C ATOM 735 C LEU A 48 4.006 -13.654 1.994 1.00 0.00 C ATOM 736 O LEU A 48 3.894 -13.227 3.142 1.00 0.00 O ATOM 737 CB LEU A 48 2.011 -15.165 2.173 1.00 0.00 C ATOM 738 CG LEU A 48 1.470 -16.601 2.237 1.00 0.00 C ATOM 739 CD1 LEU A 48 -0.042 -16.594 2.423 1.00 0.00 C ATOM 740 CD2 LEU A 48 1.845 -17.384 0.987 1.00 0.00 C ATOM 0 H LEU A 48 4.089 -16.420 3.013 1.00 0.00 H new ATOM 0 HA LEU A 48 3.375 -15.065 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.996 -14.746 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.330 -14.567 1.568 1.00 0.00 H new ATOM 0 HG LEU A 48 1.926 -17.094 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.408 -17.620 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.292 -16.080 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.509 -16.077 1.585 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.449 -18.397 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.425 -16.892 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.930 -17.424 0.895 1.00 0.00 H new ATOM 752 N VAL A 49 4.615 -12.979 1.024 1.00 0.00 N ATOM 753 CA VAL A 49 5.242 -11.684 1.262 1.00 0.00 C ATOM 754 C VAL A 49 4.294 -10.526 0.953 1.00 0.00 C ATOM 755 O VAL A 49 3.731 -10.441 -0.138 1.00 0.00 O ATOM 756 CB VAL A 49 6.519 -11.527 0.408 1.00 0.00 C ATOM 757 CG1 VAL A 49 7.093 -10.120 0.530 1.00 0.00 C ATOM 758 CG2 VAL A 49 7.554 -12.567 0.806 1.00 0.00 C ATOM 0 H VAL A 49 4.687 -13.310 0.062 1.00 0.00 H new ATOM 0 HA VAL A 49 5.499 -11.651 2.321 1.00 0.00 H new ATOM 0 HB VAL A 49 6.250 -11.687 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.991 -10.039 -0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.355 -9.395 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.344 -9.919 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.448 -12.443 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.812 -12.439 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.145 -13.565 0.652 1.00 0.00 H new ATOM 768 N ALA A 50 4.178 -9.603 1.905 1.00 0.00 N ATOM 769 CA ALA A 50 3.343 -8.420 1.739 1.00 0.00 C ATOM 770 C ALA A 50 4.166 -7.234 1.260 1.00 0.00 C ATOM 771 O ALA A 50 5.352 -7.118 1.573 1.00 0.00 O ATOM 772 CB ALA A 50 2.656 -8.058 3.045 1.00 0.00 C ATOM 0 H ALA A 50 4.656 -9.654 2.805 1.00 0.00 H new ATOM 0 HA ALA A 50 2.589 -8.655 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.038 -7.172 2.898 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.028 -8.889 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.408 -7.853 3.807 1.00 0.00 H new ATOM 778 N LEU A 51 3.527 -6.349 0.513 1.00 0.00 N ATOM 779 CA LEU A 51 4.188 -5.159 0.006 1.00 0.00 C ATOM 780 C LEU A 51 3.598 -3.912 0.653 1.00 0.00 C ATOM 781 O LEU A 51 2.401 -3.646 0.541 1.00 0.00 O ATOM 782 CB LEU A 51 4.063 -5.093 -1.519 1.00 0.00 C ATOM 783 CG LEU A 51 3.764 -6.430 -2.209 1.00 0.00 C ATOM 784 CD1 LEU A 51 3.631 -6.239 -3.711 1.00 0.00 C ATOM 785 CD2 LEU A 51 4.843 -7.458 -1.899 1.00 0.00 C ATOM 0 H LEU A 51 2.547 -6.433 0.244 1.00 0.00 H new ATOM 0 HA LEU A 51 5.247 -5.207 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.272 -4.387 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.991 -4.692 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 51 2.817 -6.804 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.419 -7.199 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.817 -5.545 -3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.562 -5.836 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.606 -8.396 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.807 -7.091 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.889 -7.624 -0.823 1.00 0.00 H new ATOM 797 N ASN A 52 4.445 -3.168 1.354 1.00 0.00 N ATOM 798 CA ASN A 52 4.019 -1.965 2.052 1.00 0.00 C ATOM 799 C ASN A 52 4.140 -0.753 1.146 1.00 0.00 C ATOM 800 O ASN A 52 5.194 -0.125 1.057 1.00 0.00 O ATOM 801 CB ASN A 52 4.865 -1.762 3.314 1.00 0.00 C ATOM 802 CG ASN A 52 5.187 -3.066 4.019 1.00 0.00 C ATOM 803 OD1 ASN A 52 4.249 -4.006 3.992 1.00 0.00 O flip ATOM 804 ND2 ASN A 52 6.268 -3.227 4.586 1.00 0.00 N flip ATOM 0 H ASN A 52 5.438 -3.380 1.453 1.00 0.00 H new ATOM 0 HA ASN A 52 2.974 -2.082 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.794 -1.259 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.333 -1.104 4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.962 -2.479 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.470 -4.108 5.058 1.00 0.00 H new ATOM 811 N VAL A 53 3.036 -0.422 0.495 1.00 0.00 N ATOM 812 CA VAL A 53 2.995 0.695 -0.432 1.00 0.00 C ATOM 813 C VAL A 53 2.705 2.004 0.290 1.00 0.00 C ATOM 814 O VAL A 53 1.558 2.307 0.618 1.00 0.00 O ATOM 815 CB VAL A 53 1.922 0.476 -1.513 1.00 0.00 C ATOM 816 CG1 VAL A 53 2.117 1.452 -2.664 1.00 0.00 C ATOM 817 CG2 VAL A 53 1.945 -0.962 -2.008 1.00 0.00 C ATOM 0 H VAL A 53 2.150 -0.917 0.594 1.00 0.00 H new ATOM 0 HA VAL A 53 3.977 0.754 -0.901 1.00 0.00 H new ATOM 0 HB VAL A 53 0.943 0.664 -1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.349 1.282 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.040 2.474 -2.292 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.101 1.300 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.179 -1.096 -2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.924 -1.185 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.749 -1.637 -1.175 1.00 0.00 H new ATOM 827 N MET A 54 3.750 2.801 0.484 1.00 0.00 N ATOM 828 CA MET A 54 3.616 4.092 1.146 1.00 0.00 C ATOM 829 C MET A 54 3.199 5.160 0.148 1.00 0.00 C ATOM 830 O MET A 54 3.207 4.927 -1.060 1.00 0.00 O ATOM 831 CB MET A 54 4.939 4.485 1.808 1.00 0.00 C ATOM 832 CG MET A 54 5.336 3.579 2.962 1.00 0.00 C ATOM 833 SD MET A 54 7.045 3.017 2.847 1.00 0.00 S ATOM 834 CE MET A 54 6.951 1.466 3.738 1.00 0.00 C ATOM 0 H MET A 54 4.701 2.575 0.191 1.00 0.00 H new ATOM 0 HA MET A 54 2.845 4.009 1.913 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.729 4.471 1.057 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.863 5.510 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.195 4.112 3.902 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.674 2.714 2.984 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.808 0.844 3.478 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.957 1.661 4.810 1.00 0.00 H new ATOM 0 HE3 MET A 54 6.031 0.947 3.469 1.00 0.00 H new ATOM 844 N VAL A 55 2.799 6.319 0.659 1.00 0.00 N ATOM 845 CA VAL A 55 2.339 7.408 -0.192 1.00 0.00 C ATOM 846 C VAL A 55 2.858 8.758 0.299 1.00 0.00 C ATOM 847 O VAL A 55 2.836 9.045 1.495 1.00 0.00 O ATOM 848 CB VAL A 55 0.798 7.441 -0.260 1.00 0.00 C ATOM 849 CG1 VAL A 55 0.246 6.053 -0.534 1.00 0.00 C ATOM 850 CG2 VAL A 55 0.206 7.999 1.026 1.00 0.00 C ATOM 0 H VAL A 55 2.784 6.528 1.657 1.00 0.00 H new ATOM 0 HA VAL A 55 2.737 7.225 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 55 0.513 8.099 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.842 6.096 -0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.634 5.688 -1.485 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.550 5.376 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.881 8.011 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.505 7.372 1.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.570 9.014 1.184 1.00 0.00 H new ATOM 860 N VAL A 56 3.345 9.576 -0.629 1.00 0.00 N ATOM 861 CA VAL A 56 3.847 10.903 -0.285 1.00 0.00 C ATOM 862 C VAL A 56 2.770 11.961 -0.495 1.00 0.00 C ATOM 863 O VAL A 56 2.354 12.218 -1.625 1.00 0.00 O ATOM 864 CB VAL A 56 5.091 11.290 -1.113 1.00 0.00 C ATOM 865 CG1 VAL A 56 6.153 11.914 -0.221 1.00 0.00 C ATOM 866 CG2 VAL A 56 5.649 10.086 -1.853 1.00 0.00 C ATOM 0 H VAL A 56 3.403 9.345 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 56 4.130 10.862 0.767 1.00 0.00 H new ATOM 0 HB VAL A 56 4.788 12.029 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.022 12.180 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.751 12.810 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.448 11.200 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.525 10.386 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.933 9.317 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.890 9.690 -2.528 1.00 0.00 H new ATOM 876 N VAL A 57 2.323 12.574 0.595 1.00 0.00 N ATOM 877 CA VAL A 57 1.305 13.614 0.519 1.00 0.00 C ATOM 878 C VAL A 57 1.742 14.859 1.287 1.00 0.00 C ATOM 879 O VAL A 57 2.560 14.779 2.201 1.00 0.00 O ATOM 880 CB VAL A 57 -0.058 13.126 1.060 1.00 0.00 C ATOM 881 CG1 VAL A 57 -0.371 11.731 0.541 1.00 0.00 C ATOM 882 CG2 VAL A 57 -0.083 13.153 2.580 1.00 0.00 C ATOM 0 H VAL A 57 2.649 12.369 1.540 1.00 0.00 H new ATOM 0 HA VAL A 57 1.185 13.863 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.828 13.808 0.700 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.334 11.405 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.409 11.748 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.406 11.039 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.053 12.805 2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.700 12.502 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.086 14.172 2.929 1.00 0.00 H new ATOM 892 N GLY A 58 1.201 16.008 0.897 1.00 0.00 N ATOM 893 CA GLY A 58 1.551 17.254 1.555 1.00 0.00 C ATOM 894 C GLY A 58 0.777 18.432 0.999 1.00 0.00 C ATOM 895 O GLY A 58 -0.074 19.001 1.683 1.00 0.00 O ATOM 0 H GLY A 58 0.527 16.099 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.356 17.166 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.619 17.436 1.439 1.00 0.00 H new ATOM 899 N ASP A 59 1.064 18.789 -0.248 1.00 0.00 N ATOM 900 CA ASP A 59 0.372 19.894 -0.902 1.00 0.00 C ATOM 901 C ASP A 59 -0.980 19.435 -1.428 1.00 0.00 C ATOM 902 O ASP A 59 -1.779 20.236 -1.913 1.00 0.00 O ATOM 903 CB ASP A 59 1.217 20.452 -2.051 1.00 0.00 C ATOM 904 CG ASP A 59 0.879 21.895 -2.367 1.00 0.00 C ATOM 905 OD1 ASP A 59 1.333 22.788 -1.622 1.00 0.00 O ATOM 906 OD2 ASP A 59 0.158 22.132 -3.359 1.00 0.00 O ATOM 0 H ASP A 59 1.769 18.331 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 59 0.216 20.683 -0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.273 20.377 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.063 19.842 -2.941 1.00 0.00 H new ATOM 911 N ALA A 60 -1.224 18.133 -1.325 1.00 0.00 N ATOM 912 CA ALA A 60 -2.479 17.547 -1.774 1.00 0.00 C ATOM 913 C ALA A 60 -3.643 18.003 -0.899 1.00 0.00 C ATOM 914 O ALA A 60 -3.615 19.094 -0.329 1.00 0.00 O ATOM 915 CB ALA A 60 -2.370 16.031 -1.774 1.00 0.00 C ATOM 0 H ALA A 60 -0.564 17.461 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.676 17.888 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.312 15.598 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.569 15.724 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.151 15.682 -0.765 1.00 0.00 H new ATOM 921 N GLU A 61 -4.664 17.159 -0.791 1.00 0.00 N ATOM 922 CA GLU A 61 -5.837 17.476 0.014 1.00 0.00 C ATOM 923 C GLU A 61 -6.470 16.208 0.573 1.00 0.00 C ATOM 924 O GLU A 61 -5.823 15.163 0.650 1.00 0.00 O ATOM 925 CB GLU A 61 -6.863 18.246 -0.820 1.00 0.00 C ATOM 926 CG GLU A 61 -6.761 17.983 -2.315 1.00 0.00 C ATOM 927 CD GLU A 61 -7.935 18.548 -3.089 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.343 19.693 -2.796 1.00 0.00 O ATOM 929 OE2 GLU A 61 -8.448 17.848 -3.986 1.00 0.00 O ATOM 0 H GLU A 61 -4.702 16.250 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.516 18.100 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.865 17.981 -0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.737 19.313 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.837 18.419 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.700 16.908 -2.488 1.00 0.00 H new ATOM 936 N GLY A 62 -7.741 16.302 0.945 1.00 0.00 N ATOM 937 CA GLY A 62 -8.446 15.148 1.462 1.00 0.00 C ATOM 938 C GLY A 62 -8.923 14.246 0.346 1.00 0.00 C ATOM 939 O GLY A 62 -9.726 13.339 0.566 1.00 0.00 O ATOM 0 H GLY A 62 -8.295 17.157 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.790 14.588 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.299 15.477 2.056 1.00 0.00 H new ATOM 943 N GLY A 63 -8.415 14.498 -0.859 1.00 0.00 N ATOM 944 CA GLY A 63 -8.790 13.697 -2.009 1.00 0.00 C ATOM 945 C GLY A 63 -8.231 12.291 -1.941 1.00 0.00 C ATOM 946 O GLY A 63 -8.582 11.438 -2.756 1.00 0.00 O ATOM 0 H GLY A 63 -7.749 15.245 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.877 13.650 -2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.435 14.183 -2.918 1.00 0.00 H new ATOM 950 N THR A 64 -7.367 12.045 -0.961 1.00 0.00 N ATOM 951 CA THR A 64 -6.781 10.722 -0.785 1.00 0.00 C ATOM 952 C THR A 64 -7.810 9.769 -0.199 1.00 0.00 C ATOM 953 O THR A 64 -7.545 8.580 -0.024 1.00 0.00 O ATOM 954 CB THR A 64 -5.548 10.783 0.118 1.00 0.00 C ATOM 955 OG1 THR A 64 -5.892 10.477 1.459 1.00 0.00 O ATOM 956 CG2 THR A 64 -4.863 12.132 0.116 1.00 0.00 C ATOM 0 H THR A 64 -7.059 12.740 -0.281 1.00 0.00 H new ATOM 0 HA THR A 64 -6.469 10.355 -1.763 1.00 0.00 H new ATOM 0 HB THR A 64 -4.857 10.046 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.090 10.520 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.998 12.102 0.778 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.538 12.373 -0.896 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.560 12.894 0.465 1.00 0.00 H new ATOM 964 N GLU A 65 -8.988 10.307 0.103 1.00 0.00 N ATOM 965 CA GLU A 65 -10.086 9.506 0.620 1.00 0.00 C ATOM 966 C GLU A 65 -10.373 8.350 -0.321 1.00 0.00 C ATOM 967 O GLU A 65 -10.903 7.313 0.080 1.00 0.00 O ATOM 968 CB GLU A 65 -11.336 10.367 0.765 1.00 0.00 C ATOM 969 CG GLU A 65 -11.714 11.111 -0.505 1.00 0.00 C ATOM 970 CD GLU A 65 -12.841 12.101 -0.288 1.00 0.00 C ATOM 971 OE1 GLU A 65 -14.017 11.696 -0.405 1.00 0.00 O ATOM 972 OE2 GLU A 65 -12.548 13.281 -0.005 1.00 0.00 O ATOM 0 H GLU A 65 -9.204 11.298 -0.003 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.804 9.113 1.597 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.170 9.734 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.178 11.089 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.840 11.639 -0.886 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -12.010 10.392 -1.269 1.00 0.00 H new ATOM 979 N ALA A 66 -9.992 8.542 -1.576 1.00 0.00 N ATOM 980 CA ALA A 66 -10.200 7.535 -2.608 1.00 0.00 C ATOM 981 C ALA A 66 -9.539 6.218 -2.223 1.00 0.00 C ATOM 982 O ALA A 66 -10.012 5.148 -2.598 1.00 0.00 O ATOM 983 CB ALA A 66 -9.662 8.027 -3.944 1.00 0.00 C ATOM 0 H ALA A 66 -9.534 9.392 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.272 7.362 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.825 7.264 -4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.181 8.942 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.595 8.228 -3.854 1.00 0.00 H new ATOM 989 N ALA A 67 -8.486 6.301 -1.416 1.00 0.00 N ATOM 990 CA ALA A 67 -7.781 5.108 -0.965 1.00 0.00 C ATOM 991 C ALA A 67 -8.722 4.199 -0.187 1.00 0.00 C ATOM 992 O ALA A 67 -8.920 3.039 -0.550 1.00 0.00 O ATOM 993 CB ALA A 67 -6.587 5.488 -0.102 1.00 0.00 C ATOM 0 H ALA A 67 -8.104 7.178 -1.063 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.419 4.571 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.073 4.585 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.901 6.106 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.931 6.046 0.769 1.00 0.00 H new ATOM 999 N GLU A 68 -9.320 4.743 0.869 1.00 0.00 N ATOM 1000 CA GLU A 68 -10.262 3.986 1.681 1.00 0.00 C ATOM 1001 C GLU A 68 -11.428 3.498 0.827 1.00 0.00 C ATOM 1002 O GLU A 68 -11.974 2.421 1.061 1.00 0.00 O ATOM 1003 CB GLU A 68 -10.785 4.840 2.837 1.00 0.00 C ATOM 1004 CG GLU A 68 -9.686 5.470 3.677 1.00 0.00 C ATOM 1005 CD GLU A 68 -10.052 5.562 5.144 1.00 0.00 C ATOM 1006 OE1 GLU A 68 -9.925 4.542 5.854 1.00 0.00 O ATOM 1007 OE2 GLU A 68 -10.465 6.655 5.587 1.00 0.00 O ATOM 0 H GLU A 68 -9.168 5.702 1.180 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.739 3.123 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.421 5.629 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.412 4.222 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.772 4.885 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.471 6.469 3.297 1.00 0.00 H new ATOM 1014 N GLU A 69 -11.820 4.315 -0.148 1.00 0.00 N ATOM 1015 CA GLU A 69 -12.906 3.960 -1.051 1.00 0.00 C ATOM 1016 C GLU A 69 -12.563 2.692 -1.820 1.00 0.00 C ATOM 1017 O GLU A 69 -13.350 1.746 -1.867 1.00 0.00 O ATOM 1018 CB GLU A 69 -13.182 5.105 -2.027 1.00 0.00 C ATOM 1019 CG GLU A 69 -14.646 5.509 -2.091 1.00 0.00 C ATOM 1020 CD GLU A 69 -15.370 4.896 -3.273 1.00 0.00 C ATOM 1021 OE1 GLU A 69 -15.257 3.667 -3.466 1.00 0.00 O ATOM 1022 OE2 GLU A 69 -16.049 5.644 -4.007 1.00 0.00 O ATOM 0 H GLU A 69 -11.400 5.227 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.802 3.779 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.587 5.971 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.851 4.811 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.143 5.207 -1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.717 6.595 -2.150 1.00 0.00 H new ATOM 1029 N SER A 70 -11.382 2.688 -2.430 1.00 0.00 N ATOM 1030 CA SER A 70 -10.911 1.534 -3.180 1.00 0.00 C ATOM 1031 C SER A 70 -10.727 0.338 -2.257 1.00 0.00 C ATOM 1032 O SER A 70 -10.707 -0.805 -2.705 1.00 0.00 O ATOM 1033 CB SER A 70 -9.595 1.860 -3.887 1.00 0.00 C ATOM 1034 OG SER A 70 -9.451 1.101 -5.075 1.00 0.00 O ATOM 0 H SER A 70 -10.733 3.475 -2.418 1.00 0.00 H new ATOM 0 HA SER A 70 -11.660 1.283 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.560 2.923 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.759 1.656 -3.218 1.00 0.00 H new ATOM 0 HG SER A 70 -8.602 1.330 -5.508 1.00 0.00 H new ATOM 1040 N LEU A 71 -10.612 0.615 -0.960 1.00 0.00 N ATOM 1041 CA LEU A 71 -10.432 -0.434 0.037 1.00 0.00 C ATOM 1042 C LEU A 71 -11.727 -1.209 0.241 1.00 0.00 C ATOM 1043 O LEU A 71 -11.710 -2.393 0.581 1.00 0.00 O ATOM 1044 CB LEU A 71 -9.973 0.176 1.365 1.00 0.00 C ATOM 1045 CG LEU A 71 -8.594 -0.275 1.856 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.562 -1.783 2.053 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -7.507 0.166 0.886 1.00 0.00 C ATOM 0 H LEU A 71 -10.641 1.559 -0.576 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.668 -1.124 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.966 1.261 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.710 -0.068 2.131 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.402 0.198 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.574 -2.083 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.310 -2.069 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.779 -2.278 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.535 -0.164 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.693 -0.274 -0.094 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.513 1.253 0.803 1.00 0.00 H new ATOM 1059 N SER A 72 -12.850 -0.534 0.013 1.00 0.00 N ATOM 1060 CA SER A 72 -14.162 -1.154 0.151 1.00 0.00 C ATOM 1061 C SER A 72 -14.338 -2.281 -0.865 1.00 0.00 C ATOM 1062 O SER A 72 -15.250 -3.101 -0.750 1.00 0.00 O ATOM 1063 CB SER A 72 -15.257 -0.104 -0.039 1.00 0.00 C ATOM 1064 OG SER A 72 -16.256 -0.221 0.959 1.00 0.00 O ATOM 0 H SER A 72 -12.876 0.446 -0.269 1.00 0.00 H new ATOM 0 HA SER A 72 -14.240 -1.578 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.819 0.893 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.708 -0.219 -1.025 1.00 0.00 H new ATOM 0 HG SER A 72 -16.943 0.463 0.816 1.00 0.00 H new ATOM 1070 N GLY A 73 -13.450 -2.313 -1.853 1.00 0.00 N ATOM 1071 CA GLY A 73 -13.495 -3.342 -2.876 1.00 0.00 C ATOM 1072 C GLY A 73 -12.119 -3.628 -3.435 1.00 0.00 C ATOM 1073 O GLY A 73 -11.971 -4.013 -4.596 1.00 0.00 O ATOM 0 H GLY A 73 -12.693 -1.638 -1.964 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -13.916 -4.256 -2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.158 -3.027 -3.682 1.00 0.00 H new ATOM 1077 N ILE A 74 -11.113 -3.416 -2.599 1.00 0.00 N ATOM 1078 CA ILE A 74 -9.722 -3.614 -2.982 1.00 0.00 C ATOM 1079 C ILE A 74 -9.381 -5.102 -3.086 1.00 0.00 C ATOM 1080 O ILE A 74 -10.277 -5.944 -3.160 1.00 0.00 O ATOM 1081 CB ILE A 74 -8.785 -2.913 -1.969 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -7.489 -2.469 -2.648 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -8.495 -3.810 -0.773 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -7.228 -0.983 -2.533 1.00 0.00 C ATOM 0 H ILE A 74 -11.238 -3.102 -1.637 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.575 -3.170 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.296 -2.025 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.653 -3.012 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.528 -2.743 -3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.834 -3.290 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.429 -4.057 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.014 -4.727 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.293 -0.738 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.046 -0.433 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.157 -0.706 -1.481 1.00 0.00 H new ATOM 1096 N GLU A 75 -8.087 -5.415 -3.086 1.00 0.00 N ATOM 1097 CA GLU A 75 -7.622 -6.791 -3.169 1.00 0.00 C ATOM 1098 C GLU A 75 -8.331 -7.670 -2.138 1.00 0.00 C ATOM 1099 O GLU A 75 -7.974 -7.677 -0.959 1.00 0.00 O ATOM 1100 CB GLU A 75 -6.107 -6.827 -2.952 1.00 0.00 C ATOM 1101 CG GLU A 75 -5.330 -7.209 -4.200 1.00 0.00 C ATOM 1102 CD GLU A 75 -5.227 -6.072 -5.199 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -5.701 -4.960 -4.886 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -4.672 -6.294 -6.295 1.00 0.00 O ATOM 0 H GLU A 75 -7.338 -4.725 -3.029 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.856 -7.185 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.773 -5.848 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.878 -7.537 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.327 -7.528 -3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.813 -8.062 -4.676 1.00 0.00 H new ATOM 1111 N GLY A 76 -9.358 -8.388 -2.593 1.00 0.00 N ATOM 1112 CA GLY A 76 -10.139 -9.236 -1.708 1.00 0.00 C ATOM 1113 C GLY A 76 -9.340 -10.382 -1.120 1.00 0.00 C ATOM 1114 O GLY A 76 -9.590 -10.805 0.009 1.00 0.00 O ATOM 0 H GLY A 76 -9.663 -8.396 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.543 -8.630 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.989 -9.639 -2.258 1.00 0.00 H new ATOM 1118 N VAL A 77 -8.377 -10.886 -1.883 1.00 0.00 N ATOM 1119 CA VAL A 77 -7.536 -11.985 -1.422 1.00 0.00 C ATOM 1120 C VAL A 77 -6.366 -11.448 -0.617 1.00 0.00 C ATOM 1121 O VAL A 77 -5.969 -12.030 0.390 1.00 0.00 O ATOM 1122 CB VAL A 77 -6.995 -12.815 -2.601 1.00 0.00 C ATOM 1123 CG1 VAL A 77 -6.356 -14.101 -2.099 1.00 0.00 C ATOM 1124 CG2 VAL A 77 -8.103 -13.113 -3.598 1.00 0.00 C ATOM 0 H VAL A 77 -8.159 -10.552 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.154 -12.629 -0.797 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.229 -12.232 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.979 -14.675 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.531 -13.860 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.099 -14.691 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.701 -13.700 -4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.895 -13.676 -3.104 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.508 -12.177 -3.982 1.00 0.00 H new ATOM 1134 N SER A 78 -5.857 -10.303 -1.044 1.00 0.00 N ATOM 1135 CA SER A 78 -4.747 -9.654 -0.371 1.00 0.00 C ATOM 1136 C SER A 78 -5.257 -8.601 0.601 1.00 0.00 C ATOM 1137 O SER A 78 -5.440 -7.441 0.229 1.00 0.00 O ATOM 1138 CB SER A 78 -3.815 -8.998 -1.396 1.00 0.00 C ATOM 1139 OG SER A 78 -2.752 -8.315 -0.757 1.00 0.00 O ATOM 0 H SER A 78 -6.201 -9.801 -1.863 1.00 0.00 H new ATOM 0 HA SER A 78 -4.193 -10.411 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.412 -9.759 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.381 -8.300 -2.012 1.00 0.00 H new ATOM 0 HG SER A 78 -3.063 -7.436 -0.454 1.00 0.00 H new ATOM 1145 N ASN A 79 -5.501 -9.003 1.846 1.00 0.00 N ATOM 1146 CA ASN A 79 -5.953 -8.049 2.853 1.00 0.00 C ATOM 1147 C ASN A 79 -4.776 -7.233 3.321 1.00 0.00 C ATOM 1148 O ASN A 79 -3.701 -7.765 3.599 1.00 0.00 O ATOM 1149 CB ASN A 79 -6.617 -8.723 4.052 1.00 0.00 C ATOM 1150 CG ASN A 79 -7.649 -7.821 4.724 1.00 0.00 C ATOM 1151 OD1 ASN A 79 -7.294 -6.553 4.987 1.00 0.00 O flip ATOM 1152 ND2 ASN A 79 -8.764 -8.258 5.006 1.00 0.00 N flip ATOM 0 H ASN A 79 -5.396 -9.962 2.176 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.706 -7.413 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.100 -9.645 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.854 -9.002 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.001 -9.227 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.451 -7.652 5.454 1.00 0.00 H new ATOM 1159 N ILE A 80 -4.980 -5.940 3.383 1.00 0.00 N ATOM 1160 CA ILE A 80 -3.918 -5.034 3.720 1.00 0.00 C ATOM 1161 C ILE A 80 -3.983 -4.559 5.159 1.00 0.00 C ATOM 1162 O ILE A 80 -5.063 -4.377 5.723 1.00 0.00 O ATOM 1163 CB ILE A 80 -3.982 -3.803 2.812 1.00 0.00 C ATOM 1164 CG1 ILE A 80 -4.144 -4.218 1.352 1.00 0.00 C ATOM 1165 CG2 ILE A 80 -2.750 -2.950 3.003 1.00 0.00 C ATOM 1166 CD1 ILE A 80 -5.335 -3.577 0.677 1.00 0.00 C ATOM 0 H ILE A 80 -5.879 -5.493 3.203 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.987 -5.584 3.583 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.854 -3.210 3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.239 -3.955 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.245 -5.302 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.807 -2.078 2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.690 -2.625 4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.863 -3.532 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.392 -3.914 -0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.247 -3.861 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.226 -2.493 0.700 1.00 0.00 H new ATOM 1178 N GLU A 81 -2.812 -4.285 5.717 1.00 0.00 N ATOM 1179 CA GLU A 81 -2.719 -3.671 7.022 1.00 0.00 C ATOM 1180 C GLU A 81 -2.803 -2.174 6.804 1.00 0.00 C ATOM 1181 O GLU A 81 -1.798 -1.463 6.833 1.00 0.00 O ATOM 1182 CB GLU A 81 -1.408 -4.048 7.717 1.00 0.00 C ATOM 1183 CG GLU A 81 -1.344 -3.616 9.173 1.00 0.00 C ATOM 1184 CD GLU A 81 -1.813 -4.700 10.124 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -1.464 -5.877 9.900 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -2.529 -4.370 11.092 1.00 0.00 O ATOM 0 H GLU A 81 -1.912 -4.482 5.279 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.524 -4.017 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.275 -5.128 7.661 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.577 -3.596 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.320 -3.338 9.421 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.958 -2.726 9.311 1.00 0.00 H new ATOM 1193 N VAL A 82 -4.005 -1.737 6.452 1.00 0.00 N ATOM 1194 CA VAL A 82 -4.254 -0.357 6.081 1.00 0.00 C ATOM 1195 C VAL A 82 -4.398 0.527 7.317 1.00 0.00 C ATOM 1196 O VAL A 82 -5.376 1.258 7.482 1.00 0.00 O ATOM 1197 CB VAL A 82 -5.517 -0.271 5.195 1.00 0.00 C ATOM 1198 CG1 VAL A 82 -5.801 1.169 4.790 1.00 0.00 C ATOM 1199 CG2 VAL A 82 -5.356 -1.144 3.964 1.00 0.00 C ATOM 0 H VAL A 82 -4.833 -2.332 6.417 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.399 0.009 5.512 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.366 -0.634 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.695 1.202 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.958 1.774 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.953 1.563 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.253 -1.074 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.494 -0.806 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.205 -2.179 4.269 1.00 0.00 H new ATOM 1209 N THR A 83 -3.425 0.412 8.211 1.00 0.00 N ATOM 1210 CA THR A 83 -3.410 1.206 9.429 1.00 0.00 C ATOM 1211 C THR A 83 -2.037 1.828 9.670 1.00 0.00 C ATOM 1212 O THR A 83 -1.785 2.373 10.746 1.00 0.00 O ATOM 1213 CB THR A 83 -3.807 0.337 10.623 1.00 0.00 C ATOM 1214 OG1 THR A 83 -4.805 -0.597 10.252 1.00 0.00 O ATOM 1215 CG2 THR A 83 -4.337 1.135 11.793 1.00 0.00 C ATOM 0 H THR A 83 -2.635 -0.225 8.114 1.00 0.00 H new ATOM 0 HA THR A 83 -4.131 2.015 9.313 1.00 0.00 H new ATOM 0 HB THR A 83 -2.891 -0.166 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.045 -1.145 11.028 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.600 0.458 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.572 1.832 12.134 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.222 1.691 11.483 1.00 0.00 H new ATOM 1223 N ASP A 84 -1.120 1.673 8.715 1.00 0.00 N ATOM 1224 CA ASP A 84 0.224 2.199 8.882 1.00 0.00 C ATOM 1225 C ASP A 84 0.306 3.658 8.446 1.00 0.00 C ATOM 1226 O ASP A 84 -0.268 4.049 7.429 1.00 0.00 O ATOM 1227 CB ASP A 84 1.222 1.342 8.107 1.00 0.00 C ATOM 1228 CG ASP A 84 2.663 1.630 8.492 1.00 0.00 C ATOM 1229 OD1 ASP A 84 2.883 2.486 9.375 1.00 0.00 O ATOM 1230 OD2 ASP A 84 3.568 0.994 7.913 1.00 0.00 O ATOM 0 H ASP A 84 -1.285 1.193 7.830 1.00 0.00 H new ATOM 0 HA ASP A 84 0.478 2.160 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.006 0.289 8.285 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.093 1.517 7.039 1.00 0.00 H new