USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -2 K(o=-9.4,f=-4.6!) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.43! K(o=-9.4!,f=-3.7) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 9 SER OG : rot 23:sc= 0.309 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 101:sc= 0.353 USER MOD Single : A 12 GLN : amide:sc= -0.995 X(o=-0.99,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.617 X(o=-0.62,f=-0.24) USER MOD Single : A 23 ASN : amide:sc= -5.09! C(o=-5.1!,f=-7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -85:sc= 1.29 USER MOD Single : A 32 GLN : amide:sc= -1.04 K(o=-1,f=-0.17) USER MOD Single : A 33 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.057) USER MOD Single : A 35 SER OG : rot 9:sc= -1.41! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.47) USER MOD Single : A 51 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -1.813 -12.649 30.873 1.00 0.00 N ATOM 2 CA GLY A -1 -1.059 -11.417 31.237 1.00 0.00 C ATOM 3 C GLY A -1 0.436 -11.653 31.309 1.00 0.00 C ATOM 4 O GLY A -1 0.950 -12.119 32.327 1.00 0.00 O ATOM 0 H1 GLY A -1 -2.830 -12.436 30.837 1.00 0.00 H new ATOM 0 H2 GLY A -1 -1.497 -12.987 29.942 1.00 0.00 H new ATOM 0 H3 GLY A -1 -1.639 -13.386 31.586 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -1.266 -10.638 30.503 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -1.413 -11.050 32.200 1.00 0.00 H new ATOM 10 N ASP A 0 1.137 -11.333 30.226 1.00 0.00 N ATOM 11 CA ASP A 0 2.583 -11.514 30.171 1.00 0.00 C ATOM 12 C ASP A 0 3.306 -10.169 30.148 1.00 0.00 C ATOM 13 O ASP A 0 4.462 -10.069 30.561 1.00 0.00 O ATOM 14 CB ASP A 0 2.967 -12.331 28.937 1.00 0.00 C ATOM 15 CG ASP A 0 2.793 -13.821 29.154 1.00 0.00 C ATOM 16 OD1 ASP A 0 1.667 -14.324 28.953 1.00 0.00 O ATOM 17 OD2 ASP A 0 3.783 -14.487 29.525 1.00 0.00 O ATOM 0 H ASP A 0 0.727 -10.947 29.375 1.00 0.00 H new ATOM 0 HA ASP A 0 2.888 -12.052 31.068 1.00 0.00 H new ATOM 0 HB2 ASP A 0 2.356 -12.016 28.091 1.00 0.00 H new ATOM 0 HB3 ASP A 0 4.005 -12.123 28.675 1.00 0.00 H new ATOM 22 N GLU A 1 2.620 -9.137 29.663 1.00 0.00 N ATOM 23 CA GLU A 1 3.200 -7.800 29.587 1.00 0.00 C ATOM 24 C GLU A 1 4.361 -7.767 28.597 1.00 0.00 C ATOM 25 O GLU A 1 5.437 -7.250 28.901 1.00 0.00 O ATOM 26 CB GLU A 1 3.673 -7.341 30.969 1.00 0.00 C ATOM 27 CG GLU A 1 3.460 -5.858 31.223 1.00 0.00 C ATOM 28 CD GLU A 1 3.723 -5.470 32.665 1.00 0.00 C ATOM 29 OE1 GLU A 1 4.811 -5.800 33.180 1.00 0.00 O ATOM 30 OE2 GLU A 1 2.840 -4.835 33.280 1.00 0.00 O ATOM 0 H GLU A 1 1.663 -9.201 29.317 1.00 0.00 H new ATOM 0 HA GLU A 1 2.427 -7.116 29.235 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.145 -7.912 31.733 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.733 -7.571 31.076 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.117 -5.283 30.570 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.436 -5.591 30.960 1.00 0.00 H new ATOM 37 N LYS A 2 4.132 -8.319 27.411 1.00 0.00 N ATOM 38 CA LYS A 2 5.152 -8.355 26.370 1.00 0.00 C ATOM 39 C LYS A 2 4.519 -8.648 25.012 1.00 0.00 C ATOM 40 O LYS A 2 4.833 -9.651 24.373 1.00 0.00 O ATOM 41 CB LYS A 2 6.213 -9.409 26.701 1.00 0.00 C ATOM 42 CG LYS A 2 7.468 -8.828 27.330 1.00 0.00 C ATOM 43 CD LYS A 2 8.662 -9.753 27.151 1.00 0.00 C ATOM 44 CE LYS A 2 9.203 -9.701 25.730 1.00 0.00 C ATOM 45 NZ LYS A 2 10.592 -9.163 25.685 1.00 0.00 N ATOM 0 H LYS A 2 3.246 -8.749 27.146 1.00 0.00 H new ATOM 0 HA LYS A 2 5.633 -7.378 26.324 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.783 -10.145 27.380 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.485 -9.938 25.788 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.686 -7.859 26.880 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.297 -8.655 28.392 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.449 -9.472 27.851 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.371 -10.775 27.393 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.187 -10.702 25.298 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.552 -9.078 25.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.925 -9.143 24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.603 -8.198 26.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.218 -9.771 26.250 1.00 0.00 H new ATOM 59 N ARG A 3 3.622 -7.759 24.588 1.00 0.00 N ATOM 60 CA ARG A 3 2.919 -7.894 23.313 1.00 0.00 C ATOM 61 C ARG A 3 2.140 -9.211 23.241 1.00 0.00 C ATOM 62 O ARG A 3 2.626 -10.257 23.670 1.00 0.00 O ATOM 63 CB ARG A 3 3.897 -7.765 22.131 1.00 0.00 C ATOM 64 CG ARG A 3 4.695 -9.026 21.814 1.00 0.00 C ATOM 65 CD ARG A 3 4.801 -9.254 20.315 1.00 0.00 C ATOM 66 NE ARG A 3 6.113 -9.766 19.929 1.00 0.00 N ATOM 67 CZ ARG A 3 7.189 -9.000 19.760 1.00 0.00 C ATOM 68 NH1 ARG A 3 7.116 -7.688 19.949 1.00 0.00 N ATOM 69 NH2 ARG A 3 8.342 -9.549 19.403 1.00 0.00 N ATOM 0 H ARG A 3 3.362 -6.927 25.117 1.00 0.00 H new ATOM 0 HA ARG A 3 2.196 -7.081 23.245 1.00 0.00 H new ATOM 0 HB2 ARG A 3 3.334 -7.476 21.243 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.595 -6.955 22.343 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.694 -8.943 22.242 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.218 -9.887 22.282 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.031 -9.958 20.000 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.610 -8.317 19.792 1.00 0.00 H new ATOM 0 HE ARG A 3 6.211 -10.770 19.780 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.232 -7.261 20.225 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.944 -7.107 19.818 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.404 -10.557 19.258 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.167 -8.964 19.273 1.00 0.00 H new ATOM 83 N PRO A 4 0.906 -9.172 22.707 1.00 0.00 N ATOM 84 CA PRO A 4 0.060 -10.356 22.590 1.00 0.00 C ATOM 85 C PRO A 4 0.306 -11.128 21.297 1.00 0.00 C ATOM 86 O PRO A 4 1.288 -10.889 20.596 1.00 0.00 O ATOM 87 CB PRO A 4 -1.341 -9.752 22.594 1.00 0.00 C ATOM 88 CG PRO A 4 -1.182 -8.435 21.909 1.00 0.00 C ATOM 89 CD PRO A 4 0.230 -7.970 22.183 1.00 0.00 C ATOM 0 HA PRO A 4 0.244 -11.082 23.382 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.050 -10.390 22.067 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.717 -9.628 23.610 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.356 -8.533 20.837 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -1.907 -7.713 22.285 1.00 0.00 H new ATOM 0 HD2 PRO A 4 0.713 -7.604 21.277 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.249 -7.154 22.906 1.00 0.00 H new ATOM 97 N ARG A 5 -0.599 -12.050 20.989 1.00 0.00 N ATOM 98 CA ARG A 5 -0.492 -12.859 19.781 1.00 0.00 C ATOM 99 C ARG A 5 -1.878 -13.146 19.215 1.00 0.00 C ATOM 100 O ARG A 5 -2.241 -14.296 18.972 1.00 0.00 O ATOM 101 CB ARG A 5 0.242 -14.169 20.077 1.00 0.00 C ATOM 102 CG ARG A 5 -0.509 -15.089 21.029 1.00 0.00 C ATOM 103 CD ARG A 5 -0.801 -16.439 20.392 1.00 0.00 C ATOM 104 NE ARG A 5 0.113 -17.476 20.864 1.00 0.00 N ATOM 105 CZ ARG A 5 -0.113 -18.781 20.730 1.00 0.00 C ATOM 106 NH1 ARG A 5 -1.220 -19.212 20.140 1.00 0.00 N ATOM 107 NH2 ARG A 5 0.772 -19.657 21.186 1.00 0.00 N ATOM 0 H ARG A 5 -1.418 -12.256 21.561 1.00 0.00 H new ATOM 0 HA ARG A 5 0.081 -12.302 19.040 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.418 -14.696 19.139 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.219 -13.940 20.502 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.079 -15.234 21.935 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.445 -14.618 21.328 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.827 -16.731 20.616 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.723 -16.353 19.308 1.00 0.00 H new ATOM 0 HE ARG A 5 0.975 -17.183 21.323 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.903 -18.542 19.786 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -1.388 -20.213 20.040 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.626 -19.331 21.639 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.599 -20.657 21.084 1.00 0.00 H new ATOM 121 N THR A 6 -2.651 -12.084 19.019 1.00 0.00 N ATOM 122 CA THR A 6 -4.007 -12.204 18.495 1.00 0.00 C ATOM 123 C THR A 6 -4.285 -11.130 17.443 1.00 0.00 C ATOM 124 O THR A 6 -4.270 -11.407 16.245 1.00 0.00 O ATOM 125 CB THR A 6 -5.020 -12.102 19.640 1.00 0.00 C ATOM 126 OG1 THR A 6 -6.300 -11.732 19.156 1.00 0.00 O ATOM 127 CG2 THR A 6 -4.618 -11.104 20.707 1.00 0.00 C ATOM 0 H THR A 6 -2.361 -11.126 19.216 1.00 0.00 H new ATOM 0 HA THR A 6 -4.106 -13.178 18.016 1.00 0.00 H new ATOM 0 HB THR A 6 -5.047 -13.095 20.088 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.929 -11.675 19.905 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.378 -11.081 21.488 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.662 -11.399 21.140 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.525 -10.113 20.262 1.00 0.00 H new ATOM 135 N ALA A 7 -4.537 -9.905 17.898 1.00 0.00 N ATOM 136 CA ALA A 7 -4.814 -8.799 16.996 1.00 0.00 C ATOM 137 C ALA A 7 -3.599 -8.493 16.135 1.00 0.00 C ATOM 138 O ALA A 7 -3.731 -8.099 14.976 1.00 0.00 O ATOM 139 CB ALA A 7 -5.229 -7.566 17.784 1.00 0.00 C ATOM 0 H ALA A 7 -4.554 -9.657 18.887 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.636 -9.087 16.340 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.433 -6.746 17.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.127 -7.788 18.361 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.425 -7.279 18.461 1.00 0.00 H new ATOM 145 N PHE A 8 -2.413 -8.682 16.706 1.00 0.00 N ATOM 146 CA PHE A 8 -1.177 -8.430 15.983 1.00 0.00 C ATOM 147 C PHE A 8 0.048 -8.778 16.823 1.00 0.00 C ATOM 148 O PHE A 8 0.386 -8.077 17.776 1.00 0.00 O ATOM 149 CB PHE A 8 -1.108 -6.971 15.513 1.00 0.00 C ATOM 150 CG PHE A 8 -0.961 -5.952 16.614 1.00 0.00 C ATOM 151 CD1 PHE A 8 -1.486 -6.170 17.879 1.00 0.00 C ATOM 152 CD2 PHE A 8 -0.290 -4.764 16.369 1.00 0.00 C ATOM 153 CE1 PHE A 8 -1.345 -5.221 18.876 1.00 0.00 C ATOM 154 CE2 PHE A 8 -0.146 -3.813 17.360 1.00 0.00 C ATOM 155 CZ PHE A 8 -0.674 -4.042 18.615 1.00 0.00 C ATOM 0 H PHE A 8 -2.285 -9.008 17.664 1.00 0.00 H new ATOM 0 HA PHE A 8 -1.174 -9.079 15.107 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.268 -6.866 14.827 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.012 -6.744 14.947 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.011 -7.091 18.088 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.126 -4.580 15.390 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.759 -5.402 19.857 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.379 -2.892 17.154 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.563 -3.300 19.392 1.00 0.00 H new ATOM 165 N SER A 9 0.707 -9.873 16.458 1.00 0.00 N ATOM 166 CA SER A 9 1.896 -10.327 17.172 1.00 0.00 C ATOM 167 C SER A 9 3.171 -9.952 16.422 1.00 0.00 C ATOM 168 O SER A 9 4.114 -10.740 16.356 1.00 0.00 O ATOM 169 CB SER A 9 1.844 -11.841 17.387 1.00 0.00 C ATOM 170 OG SER A 9 2.261 -12.186 18.697 1.00 0.00 O ATOM 0 H SER A 9 0.438 -10.463 15.671 1.00 0.00 H new ATOM 0 HA SER A 9 1.911 -9.828 18.141 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.829 -12.200 17.219 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.483 -12.337 16.656 1.00 0.00 H new ATOM 0 HG SER A 9 2.140 -11.417 19.292 1.00 0.00 H new ATOM 176 N SER A 10 3.179 -8.740 15.864 1.00 0.00 N ATOM 177 CA SER A 10 4.323 -8.210 15.109 1.00 0.00 C ATOM 178 C SER A 10 4.133 -8.417 13.615 1.00 0.00 C ATOM 179 O SER A 10 4.624 -7.640 12.798 1.00 0.00 O ATOM 180 CB SER A 10 5.632 -8.869 15.543 1.00 0.00 C ATOM 181 OG SER A 10 5.722 -8.951 16.955 1.00 0.00 O ATOM 0 H SER A 10 2.392 -8.094 15.921 1.00 0.00 H new ATOM 0 HA SER A 10 4.377 -7.142 15.322 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.699 -9.868 15.113 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.476 -8.298 15.155 1.00 0.00 H new ATOM 0 HG SER A 10 5.490 -9.858 17.246 1.00 0.00 H new ATOM 187 N GLU A 11 3.425 -9.478 13.273 1.00 0.00 N ATOM 188 CA GLU A 11 3.169 -9.815 11.875 1.00 0.00 C ATOM 189 C GLU A 11 2.081 -8.928 11.268 1.00 0.00 C ATOM 190 O GLU A 11 1.971 -8.819 10.047 1.00 0.00 O ATOM 191 CB GLU A 11 2.777 -11.290 11.751 1.00 0.00 C ATOM 192 CG GLU A 11 3.777 -12.119 10.960 1.00 0.00 C ATOM 193 CD GLU A 11 3.749 -13.587 11.339 1.00 0.00 C ATOM 194 OE1 GLU A 11 2.647 -14.109 11.612 1.00 0.00 O ATOM 195 OE2 GLU A 11 4.828 -14.215 11.363 1.00 0.00 O ATOM 0 H GLU A 11 3.013 -10.127 13.944 1.00 0.00 H new ATOM 0 HA GLU A 11 4.089 -9.638 11.318 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.673 -11.715 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.800 -11.359 11.272 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.565 -12.019 9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.780 -11.725 11.124 1.00 0.00 H new ATOM 202 N GLN A 12 1.280 -8.296 12.121 1.00 0.00 N ATOM 203 CA GLN A 12 0.208 -7.421 11.655 1.00 0.00 C ATOM 204 C GLN A 12 0.631 -5.956 11.688 1.00 0.00 C ATOM 205 O GLN A 12 -0.146 -5.066 11.342 1.00 0.00 O ATOM 206 CB GLN A 12 -1.052 -7.629 12.495 1.00 0.00 C ATOM 207 CG GLN A 12 -2.146 -8.379 11.755 1.00 0.00 C ATOM 208 CD GLN A 12 -3.464 -7.631 11.743 1.00 0.00 C ATOM 209 OE1 GLN A 12 -3.851 -7.015 12.736 1.00 0.00 O ATOM 210 NE2 GLN A 12 -4.163 -7.681 10.615 1.00 0.00 N ATOM 0 H GLN A 12 1.352 -8.373 13.136 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.010 -7.683 10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.791 -8.178 13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.435 -6.659 12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.826 -8.560 10.729 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.291 -9.354 12.220 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.805 -8.204 9.816 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.058 -7.197 10.548 1.00 0.00 H new ATOM 219 N LEU A 13 1.873 -5.713 12.092 1.00 0.00 N ATOM 220 CA LEU A 13 2.412 -4.363 12.157 1.00 0.00 C ATOM 221 C LEU A 13 3.625 -4.252 11.241 1.00 0.00 C ATOM 222 O LEU A 13 3.901 -3.191 10.680 1.00 0.00 O ATOM 223 CB LEU A 13 2.784 -3.976 13.597 1.00 0.00 C ATOM 224 CG LEU A 13 3.137 -5.133 14.540 1.00 0.00 C ATOM 225 CD1 LEU A 13 3.539 -4.602 15.906 1.00 0.00 C ATOM 226 CD2 LEU A 13 1.967 -6.092 14.688 1.00 0.00 C ATOM 0 H LEU A 13 2.528 -6.440 12.381 1.00 0.00 H new ATOM 0 HA LEU A 13 1.643 -3.668 11.821 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.633 -3.293 13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.950 -3.424 14.030 1.00 0.00 H new ATOM 0 HG LEU A 13 3.977 -5.673 14.104 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.786 -5.436 16.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.408 -3.952 15.802 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.712 -4.036 16.334 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.244 -6.903 15.362 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.109 -5.558 15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.708 -6.503 13.712 1.00 0.00 H new ATOM 238 N ALA A 14 4.327 -5.368 11.073 1.00 0.00 N ATOM 239 CA ALA A 14 5.489 -5.418 10.202 1.00 0.00 C ATOM 240 C ALA A 14 5.048 -5.472 8.745 1.00 0.00 C ATOM 241 O ALA A 14 5.773 -5.044 7.848 1.00 0.00 O ATOM 242 CB ALA A 14 6.352 -6.625 10.539 1.00 0.00 C ATOM 0 H ALA A 14 4.108 -6.252 11.532 1.00 0.00 H new ATOM 0 HA ALA A 14 6.082 -4.516 10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.218 -6.649 9.878 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.687 -6.555 11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.770 -7.537 10.407 1.00 0.00 H new ATOM 248 N ARG A 15 3.845 -6.001 8.518 1.00 0.00 N ATOM 249 CA ARG A 15 3.300 -6.111 7.171 1.00 0.00 C ATOM 250 C ARG A 15 2.263 -5.019 6.914 1.00 0.00 C ATOM 251 O ARG A 15 2.058 -4.603 5.774 1.00 0.00 O ATOM 252 CB ARG A 15 2.671 -7.489 6.964 1.00 0.00 C ATOM 253 CG ARG A 15 2.676 -7.946 5.514 1.00 0.00 C ATOM 254 CD ARG A 15 1.265 -8.151 4.986 1.00 0.00 C ATOM 255 NE ARG A 15 1.262 -8.746 3.651 1.00 0.00 N ATOM 256 CZ ARG A 15 1.508 -10.031 3.413 1.00 0.00 C ATOM 257 NH1 ARG A 15 1.783 -10.858 4.413 1.00 0.00 N ATOM 258 NH2 ARG A 15 1.481 -10.492 2.169 1.00 0.00 N ATOM 0 H ARG A 15 3.233 -6.359 9.251 1.00 0.00 H new ATOM 0 HA ARG A 15 4.118 -5.984 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.208 -8.219 7.569 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.643 -7.469 7.327 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.191 -7.206 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.236 -8.877 5.427 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.711 -8.793 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.746 -7.193 4.957 1.00 0.00 H new ATOM 0 HE ARG A 15 1.059 -8.140 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.807 -10.509 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.971 -11.843 4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.272 -9.861 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.670 -11.478 1.986 1.00 0.00 H new ATOM 272 N ALA A 16 1.613 -4.560 7.980 1.00 0.00 N ATOM 273 CA ALA A 16 0.598 -3.516 7.866 1.00 0.00 C ATOM 274 C ALA A 16 1.219 -2.120 7.915 1.00 0.00 C ATOM 275 O ALA A 16 0.549 -1.126 7.639 1.00 0.00 O ATOM 276 CB ALA A 16 -0.440 -3.669 8.967 1.00 0.00 C ATOM 0 H ALA A 16 1.770 -4.894 8.931 1.00 0.00 H new ATOM 0 HA ALA A 16 0.112 -3.630 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.191 -2.885 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.920 -4.644 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.046 -3.588 9.939 1.00 0.00 H new ATOM 282 N LYS A 17 2.502 -2.053 8.257 1.00 0.00 N ATOM 283 CA LYS A 17 3.212 -0.782 8.331 1.00 0.00 C ATOM 284 C LYS A 17 4.236 -0.686 7.208 1.00 0.00 C ATOM 285 O LYS A 17 4.468 0.386 6.653 1.00 0.00 O ATOM 286 CB LYS A 17 3.903 -0.633 9.688 1.00 0.00 C ATOM 287 CG LYS A 17 4.179 0.811 10.075 1.00 0.00 C ATOM 288 CD LYS A 17 5.019 0.898 11.340 1.00 0.00 C ATOM 289 CE LYS A 17 4.304 0.276 12.527 1.00 0.00 C ATOM 290 NZ LYS A 17 5.177 0.211 13.731 1.00 0.00 N ATOM 0 H LYS A 17 3.072 -2.867 8.488 1.00 0.00 H new ATOM 0 HA LYS A 17 2.489 0.026 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.281 -1.094 10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.845 -1.182 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.696 1.315 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.235 1.335 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.971 0.392 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.245 1.942 11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.411 0.857 12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.972 -0.729 12.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.651 -0.220 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.017 -0.364 13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.473 1.172 13.997 1.00 0.00 H new ATOM 304 N ARG A 18 4.836 -1.823 6.876 1.00 0.00 N ATOM 305 CA ARG A 18 5.830 -1.887 5.814 1.00 0.00 C ATOM 306 C ARG A 18 5.161 -1.809 4.447 1.00 0.00 C ATOM 307 O ARG A 18 5.732 -1.286 3.490 1.00 0.00 O ATOM 308 CB ARG A 18 6.629 -3.185 5.921 1.00 0.00 C ATOM 309 CG ARG A 18 7.887 -3.198 5.065 1.00 0.00 C ATOM 310 CD ARG A 18 9.148 -3.199 5.917 1.00 0.00 C ATOM 311 NE ARG A 18 9.907 -4.438 5.768 1.00 0.00 N ATOM 312 CZ ARG A 18 11.192 -4.563 6.091 1.00 0.00 C ATOM 313 NH1 ARG A 18 11.861 -3.532 6.593 1.00 0.00 N ATOM 314 NH2 ARG A 18 11.810 -5.723 5.917 1.00 0.00 N ATOM 0 H ARG A 18 4.649 -2.717 7.330 1.00 0.00 H new ATOM 0 HA ARG A 18 6.504 -1.038 5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.907 -3.346 6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.992 -4.019 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.881 -4.079 4.423 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.891 -2.326 4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.776 -2.353 5.637 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.878 -3.063 6.964 1.00 0.00 H new ATOM 0 HE ARG A 18 9.424 -5.255 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.390 -2.638 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.846 -3.634 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.301 -6.520 5.535 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.795 -5.818 6.165 1.00 0.00 H new ATOM 328 N GLU A 19 3.945 -2.338 4.366 1.00 0.00 N ATOM 329 CA GLU A 19 3.189 -2.340 3.120 1.00 0.00 C ATOM 330 C GLU A 19 2.922 -0.920 2.638 1.00 0.00 C ATOM 331 O GLU A 19 3.055 -0.623 1.451 1.00 0.00 O ATOM 332 CB GLU A 19 1.864 -3.083 3.305 1.00 0.00 C ATOM 333 CG GLU A 19 1.947 -4.566 2.982 1.00 0.00 C ATOM 334 CD GLU A 19 1.447 -4.889 1.588 1.00 0.00 C ATOM 335 OE1 GLU A 19 1.394 -3.966 0.747 1.00 0.00 O ATOM 336 OE2 GLU A 19 1.108 -6.064 1.335 1.00 0.00 O ATOM 0 H GLU A 19 3.461 -2.772 5.152 1.00 0.00 H new ATOM 0 HA GLU A 19 3.786 -2.852 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.530 -2.962 4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.107 -2.623 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.981 -4.898 3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.363 -5.126 3.712 1.00 0.00 H new ATOM 343 N PHE A 20 2.545 -0.042 3.563 1.00 0.00 N ATOM 344 CA PHE A 20 2.261 1.348 3.213 1.00 0.00 C ATOM 345 C PHE A 20 3.502 2.217 3.359 1.00 0.00 C ATOM 346 O PHE A 20 3.602 3.273 2.735 1.00 0.00 O ATOM 347 CB PHE A 20 1.105 1.897 4.060 1.00 0.00 C ATOM 348 CG PHE A 20 1.504 2.374 5.428 1.00 0.00 C ATOM 349 CD1 PHE A 20 2.246 3.533 5.586 1.00 0.00 C ATOM 350 CD2 PHE A 20 1.132 1.661 6.555 1.00 0.00 C ATOM 351 CE1 PHE A 20 2.612 3.971 6.844 1.00 0.00 C ATOM 352 CE2 PHE A 20 1.494 2.094 7.815 1.00 0.00 C ATOM 353 CZ PHE A 20 2.234 3.248 7.960 1.00 0.00 C ATOM 0 H PHE A 20 2.430 -0.264 4.552 1.00 0.00 H new ATOM 0 HA PHE A 20 1.958 1.375 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.639 2.723 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 20 0.349 1.119 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.542 4.101 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.552 0.756 6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.192 4.875 6.955 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.198 1.529 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.518 3.587 8.945 1.00 0.00 H new ATOM 363 N ASN A 21 4.454 1.770 4.170 1.00 0.00 N ATOM 364 CA ASN A 21 5.690 2.521 4.364 1.00 0.00 C ATOM 365 C ASN A 21 6.329 2.829 3.012 1.00 0.00 C ATOM 366 O ASN A 21 7.009 3.841 2.847 1.00 0.00 O ATOM 367 CB ASN A 21 6.667 1.734 5.242 1.00 0.00 C ATOM 368 CG ASN A 21 6.905 2.402 6.584 1.00 0.00 C ATOM 369 OD1 ASN A 21 7.393 3.530 6.650 1.00 0.00 O ATOM 370 ND2 ASN A 21 6.560 1.706 7.660 1.00 0.00 N ATOM 0 H ASN A 21 4.396 0.900 4.699 1.00 0.00 H new ATOM 0 HA ASN A 21 5.453 3.458 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.278 0.729 5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.617 1.628 4.718 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.696 2.103 8.590 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.159 0.774 7.557 1.00 0.00 H new ATOM 377 N GLU A 22 6.087 1.947 2.044 1.00 0.00 N ATOM 378 CA GLU A 22 6.617 2.119 0.697 1.00 0.00 C ATOM 379 C GLU A 22 5.676 2.976 -0.149 1.00 0.00 C ATOM 380 O GLU A 22 6.050 3.450 -1.220 1.00 0.00 O ATOM 381 CB GLU A 22 6.828 0.757 0.031 1.00 0.00 C ATOM 382 CG GLU A 22 8.280 0.464 -0.309 1.00 0.00 C ATOM 383 CD GLU A 22 8.434 -0.732 -1.230 1.00 0.00 C ATOM 384 OE1 GLU A 22 7.966 -0.653 -2.386 1.00 0.00 O ATOM 385 OE2 GLU A 22 9.021 -1.745 -0.796 1.00 0.00 O ATOM 0 H GLU A 22 5.526 1.105 2.170 1.00 0.00 H new ATOM 0 HA GLU A 22 7.577 2.629 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.454 -0.024 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.234 0.712 -0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.723 1.341 -0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.835 0.283 0.611 1.00 0.00 H new ATOM 392 N ASN A 23 4.456 3.182 0.347 1.00 0.00 N ATOM 393 CA ASN A 23 3.471 3.994 -0.351 1.00 0.00 C ATOM 394 C ASN A 23 2.912 5.062 0.577 1.00 0.00 C ATOM 395 O ASN A 23 1.715 5.346 0.586 1.00 0.00 O ATOM 396 CB ASN A 23 2.347 3.124 -0.930 1.00 0.00 C ATOM 397 CG ASN A 23 1.607 2.319 0.114 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.701 1.091 0.142 1.00 0.00 O ATOM 399 ND2 ASN A 23 0.851 2.997 0.968 1.00 0.00 N ATOM 0 H ASN A 23 4.130 2.795 1.232 1.00 0.00 H new ATOM 0 HA ASN A 23 3.966 4.490 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.637 3.764 -1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.770 2.444 -1.669 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.319 2.501 1.683 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.802 4.014 0.909 1.00 0.00 H new ATOM 406 N ARG A 24 3.807 5.648 1.357 1.00 0.00 N ATOM 407 CA ARG A 24 3.457 6.690 2.310 1.00 0.00 C ATOM 408 C ARG A 24 3.776 8.066 1.735 1.00 0.00 C ATOM 409 O ARG A 24 3.003 9.015 1.865 1.00 0.00 O ATOM 410 CB ARG A 24 4.252 6.449 3.602 1.00 0.00 C ATOM 411 CG ARG A 24 5.020 7.658 4.125 1.00 0.00 C ATOM 412 CD ARG A 24 4.086 8.718 4.687 1.00 0.00 C ATOM 413 NE ARG A 24 4.729 10.028 4.763 1.00 0.00 N ATOM 414 CZ ARG A 24 4.307 11.018 5.548 1.00 0.00 C ATOM 415 NH1 ARG A 24 3.240 10.853 6.320 1.00 0.00 N ATOM 416 NH2 ARG A 24 4.953 12.176 5.560 1.00 0.00 N ATOM 0 H ARG A 24 4.800 5.414 1.347 1.00 0.00 H new ATOM 0 HA ARG A 24 2.388 6.658 2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.563 6.113 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.958 5.637 3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.717 7.339 4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.615 8.088 3.319 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.196 8.786 4.061 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.754 8.419 5.681 1.00 0.00 H new ATOM 0 HE ARG A 24 5.550 10.194 4.180 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.739 9.965 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.921 11.615 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.773 12.309 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.630 12.934 6.161 1.00 0.00 H new ATOM 430 N TYR A 25 4.940 8.148 1.115 1.00 0.00 N ATOM 431 CA TYR A 25 5.431 9.383 0.518 1.00 0.00 C ATOM 432 C TYR A 25 4.792 9.647 -0.850 1.00 0.00 C ATOM 433 O TYR A 25 4.402 10.773 -1.148 1.00 0.00 O ATOM 434 CB TYR A 25 6.945 9.289 0.358 1.00 0.00 C ATOM 435 CG TYR A 25 7.316 8.400 -0.794 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.162 7.023 -0.707 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.759 8.941 -1.988 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.447 6.212 -1.778 1.00 0.00 C ATOM 439 CE2 TYR A 25 8.055 8.139 -3.065 1.00 0.00 C ATOM 440 CZ TYR A 25 7.895 6.770 -2.960 1.00 0.00 C ATOM 441 OH TYR A 25 8.182 5.961 -4.035 1.00 0.00 O ATOM 0 H TYR A 25 5.576 7.358 1.010 1.00 0.00 H new ATOM 0 HA TYR A 25 5.163 10.209 1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.359 10.285 0.200 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.387 8.902 1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.813 6.583 0.216 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.874 10.011 -2.076 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.321 5.142 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.410 8.576 -3.987 1.00 0.00 H new ATOM 0 HH TYR A 25 8.484 6.512 -4.787 1.00 0.00 H new ATOM 451 N LEU A 26 4.704 8.604 -1.684 1.00 0.00 N ATOM 452 CA LEU A 26 4.124 8.733 -3.023 1.00 0.00 C ATOM 453 C LEU A 26 2.776 9.428 -2.949 1.00 0.00 C ATOM 454 O LEU A 26 2.350 10.101 -3.888 1.00 0.00 O ATOM 455 CB LEU A 26 3.970 7.363 -3.692 1.00 0.00 C ATOM 456 CG LEU A 26 3.611 6.206 -2.760 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.101 6.072 -2.618 1.00 0.00 C ATOM 458 CD2 LEU A 26 4.219 4.910 -3.272 1.00 0.00 C ATOM 0 H LEU A 26 5.027 7.664 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 26 4.804 9.335 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.200 7.439 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.904 7.120 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 26 4.024 6.418 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.871 5.242 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.691 6.994 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.659 5.884 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.956 4.094 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.834 4.697 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.304 5.009 -3.315 1.00 0.00 H new ATOM 470 N THR A 27 2.126 9.274 -1.808 1.00 0.00 N ATOM 471 CA THR A 27 0.836 9.896 -1.564 1.00 0.00 C ATOM 472 C THR A 27 0.974 11.417 -1.639 1.00 0.00 C ATOM 473 O THR A 27 -0.002 12.137 -1.848 1.00 0.00 O ATOM 474 CB THR A 27 0.311 9.456 -0.197 1.00 0.00 C ATOM 475 OG1 THR A 27 0.845 10.268 0.834 1.00 0.00 O ATOM 476 CG2 THR A 27 0.653 8.013 0.127 1.00 0.00 C ATOM 0 H THR A 27 2.476 8.717 -1.028 1.00 0.00 H new ATOM 0 HA THR A 27 0.122 9.582 -2.325 1.00 0.00 H new ATOM 0 HB THR A 27 -0.773 9.559 -0.251 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.722 9.922 1.102 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.255 7.756 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.214 7.357 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.736 7.888 0.130 1.00 0.00 H new ATOM 484 N GLU A 28 2.209 11.889 -1.481 1.00 0.00 N ATOM 485 CA GLU A 28 2.520 13.310 -1.544 1.00 0.00 C ATOM 486 C GLU A 28 3.792 13.546 -2.368 1.00 0.00 C ATOM 487 O GLU A 28 4.357 14.640 -2.355 1.00 0.00 O ATOM 488 CB GLU A 28 2.702 13.874 -0.133 1.00 0.00 C ATOM 489 CG GLU A 28 1.473 14.593 0.399 1.00 0.00 C ATOM 490 CD GLU A 28 1.267 15.950 -0.245 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.495 16.068 -1.468 1.00 0.00 O ATOM 492 OE2 GLU A 28 0.880 16.896 0.473 1.00 0.00 O ATOM 0 H GLU A 28 3.020 11.295 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 28 1.689 13.823 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.958 13.059 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.545 14.565 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.592 13.975 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.568 14.718 1.478 1.00 0.00 H new ATOM 499 N ARG A 29 4.239 12.508 -3.080 1.00 0.00 N ATOM 500 CA ARG A 29 5.442 12.593 -3.905 1.00 0.00 C ATOM 501 C ARG A 29 5.131 12.265 -5.363 1.00 0.00 C ATOM 502 O ARG A 29 5.781 12.773 -6.277 1.00 0.00 O ATOM 503 CB ARG A 29 6.520 11.644 -3.374 1.00 0.00 C ATOM 504 CG ARG A 29 7.893 12.290 -3.269 1.00 0.00 C ATOM 505 CD ARG A 29 8.710 12.080 -4.535 1.00 0.00 C ATOM 506 NE ARG A 29 8.928 13.330 -5.260 1.00 0.00 N ATOM 507 CZ ARG A 29 9.793 14.268 -4.877 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.514 14.104 -3.775 1.00 0.00 N ATOM 509 NH2 ARG A 29 9.934 15.372 -5.596 1.00 0.00 N ATOM 0 H ARG A 29 3.782 11.596 -3.100 1.00 0.00 H new ATOM 0 HA ARG A 29 5.812 13.617 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.221 11.280 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.584 10.775 -4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.780 13.358 -3.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.428 11.872 -2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.672 11.639 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.197 11.369 -5.183 1.00 0.00 H new ATOM 0 HE ARG A 29 8.386 13.494 -6.109 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.407 13.257 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.175 14.825 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.380 15.504 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.596 16.090 -5.303 1.00 0.00 H new ATOM 523 N ARG A 30 4.131 11.413 -5.572 1.00 0.00 N ATOM 524 CA ARG A 30 3.728 11.016 -6.913 1.00 0.00 C ATOM 525 C ARG A 30 2.222 10.771 -6.976 1.00 0.00 C ATOM 526 O ARG A 30 1.732 10.097 -7.880 1.00 0.00 O ATOM 527 CB ARG A 30 4.475 9.753 -7.338 1.00 0.00 C ATOM 528 CG ARG A 30 4.172 8.553 -6.456 1.00 0.00 C ATOM 529 CD ARG A 30 3.408 7.476 -7.211 1.00 0.00 C ATOM 530 NE ARG A 30 4.224 6.285 -7.437 1.00 0.00 N ATOM 531 CZ ARG A 30 3.885 5.302 -8.269 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.751 5.364 -8.955 1.00 0.00 N ATOM 533 NH2 ARG A 30 4.685 4.254 -8.414 1.00 0.00 N ATOM 0 H ARG A 30 3.585 10.984 -4.825 1.00 0.00 H new ATOM 0 HA ARG A 30 3.978 11.827 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.214 9.513 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.547 9.949 -7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.105 8.137 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.590 8.874 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.515 7.203 -6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.072 7.873 -8.169 1.00 0.00 H new ATOM 0 HE ARG A 30 5.104 6.202 -6.928 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.133 6.168 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.497 4.608 -9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.558 4.202 -7.889 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.427 3.500 -9.051 1.00 0.00 H new ATOM 547 N ARG A 31 1.489 11.330 -6.015 1.00 0.00 N ATOM 548 CA ARG A 31 0.041 11.177 -5.980 1.00 0.00 C ATOM 549 C ARG A 31 -0.613 12.281 -6.792 1.00 0.00 C ATOM 550 O ARG A 31 -1.527 12.034 -7.579 1.00 0.00 O ATOM 551 CB ARG A 31 -0.477 11.207 -4.542 1.00 0.00 C ATOM 552 CG ARG A 31 -1.950 10.844 -4.424 1.00 0.00 C ATOM 553 CD ARG A 31 -2.358 10.604 -2.978 1.00 0.00 C ATOM 554 NE ARG A 31 -3.001 9.304 -2.799 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.762 8.993 -1.753 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.980 9.883 -0.793 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.307 7.787 -1.665 1.00 0.00 N ATOM 0 H ARG A 31 1.874 11.890 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.214 10.210 -6.414 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.110 10.515 -3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.321 12.203 -4.128 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.557 11.646 -4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.152 9.949 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.478 10.664 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.039 11.392 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.858 8.594 -3.517 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.563 10.812 -0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.564 9.638 0.006 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.143 7.098 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.890 7.548 -0.863 1.00 0.00 H new ATOM 571 N GLN A 32 -0.121 13.501 -6.611 1.00 0.00 N ATOM 572 CA GLN A 32 -0.640 14.647 -7.344 1.00 0.00 C ATOM 573 C GLN A 32 -0.468 14.423 -8.841 1.00 0.00 C ATOM 574 O GLN A 32 -1.248 14.925 -9.650 1.00 0.00 O ATOM 575 CB GLN A 32 0.080 15.928 -6.917 1.00 0.00 C ATOM 576 CG GLN A 32 -0.570 16.625 -5.732 1.00 0.00 C ATOM 577 CD GLN A 32 -0.749 15.706 -4.540 1.00 0.00 C ATOM 578 OE1 GLN A 32 -1.846 15.581 -3.998 1.00 0.00 O ATOM 579 NE2 GLN A 32 0.333 15.055 -4.125 1.00 0.00 N ATOM 0 H GLN A 32 0.636 13.721 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.701 14.756 -7.118 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.113 15.688 -6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.110 16.617 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.040 17.479 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.542 17.016 -6.034 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.224 15.188 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.273 14.422 -3.327 1.00 0.00 H new ATOM 588 N GLN A 33 0.559 13.654 -9.200 1.00 0.00 N ATOM 589 CA GLN A 33 0.832 13.348 -10.595 1.00 0.00 C ATOM 590 C GLN A 33 -0.262 12.469 -11.163 1.00 0.00 C ATOM 591 O GLN A 33 -0.636 12.587 -12.330 1.00 0.00 O ATOM 592 CB GLN A 33 2.191 12.652 -10.734 1.00 0.00 C ATOM 593 CG GLN A 33 2.198 11.188 -10.320 1.00 0.00 C ATOM 594 CD GLN A 33 2.369 10.248 -11.498 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.490 9.951 -11.912 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.256 9.776 -12.045 1.00 0.00 N ATOM 0 H GLN A 33 1.213 13.233 -8.540 1.00 0.00 H new ATOM 0 HA GLN A 33 0.859 14.283 -11.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.517 12.724 -11.772 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.923 13.190 -10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.005 11.020 -9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.265 10.955 -9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.348 10.049 -11.669 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.309 9.140 -12.841 1.00 0.00 H new ATOM 605 N LEU A 34 -0.779 11.596 -10.319 1.00 0.00 N ATOM 606 CA LEU A 34 -1.839 10.702 -10.712 1.00 0.00 C ATOM 607 C LEU A 34 -3.124 11.483 -10.867 1.00 0.00 C ATOM 608 O LEU A 34 -3.699 11.546 -11.951 1.00 0.00 O ATOM 609 CB LEU A 34 -2.021 9.624 -9.663 1.00 0.00 C ATOM 610 CG LEU A 34 -1.160 8.381 -9.850 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.676 7.870 -8.503 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.945 7.309 -10.586 1.00 0.00 C ATOM 0 H LEU A 34 -0.476 11.491 -9.351 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.581 10.234 -11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.804 10.052 -8.684 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.068 9.322 -9.654 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.287 8.640 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.062 6.982 -8.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.085 8.643 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.534 7.619 -7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.321 6.425 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.832 7.046 -10.009 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.247 7.685 -11.563 1.00 0.00 H new ATOM 624 N SER A 35 -3.566 12.088 -9.767 1.00 0.00 N ATOM 625 CA SER A 35 -4.778 12.881 -9.773 1.00 0.00 C ATOM 626 C SER A 35 -4.824 13.797 -10.997 1.00 0.00 C ATOM 627 O SER A 35 -5.899 14.131 -11.496 1.00 0.00 O ATOM 628 CB SER A 35 -4.870 13.719 -8.496 1.00 0.00 C ATOM 629 OG SER A 35 -6.159 14.291 -8.351 1.00 0.00 O ATOM 0 H SER A 35 -3.097 12.040 -8.862 1.00 0.00 H new ATOM 0 HA SER A 35 -5.627 12.199 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.647 13.094 -7.631 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.119 14.509 -8.521 1.00 0.00 H new ATOM 0 HG SER A 35 -6.762 13.914 -9.025 1.00 0.00 H new ATOM 635 N SER A 36 -3.644 14.202 -11.479 1.00 0.00 N ATOM 636 CA SER A 36 -3.555 15.079 -12.643 1.00 0.00 C ATOM 637 C SER A 36 -3.442 14.271 -13.936 1.00 0.00 C ATOM 638 O SER A 36 -3.834 14.739 -15.004 1.00 0.00 O ATOM 639 CB SER A 36 -2.354 16.016 -12.509 1.00 0.00 C ATOM 640 OG SER A 36 -2.660 17.311 -12.997 1.00 0.00 O ATOM 0 H SER A 36 -2.743 13.936 -11.081 1.00 0.00 H new ATOM 0 HA SER A 36 -4.469 15.670 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.054 16.080 -11.463 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.507 15.607 -13.060 1.00 0.00 H new ATOM 0 HG SER A 36 -1.876 17.891 -12.898 1.00 0.00 H new ATOM 646 N GLU A 37 -2.909 13.056 -13.832 1.00 0.00 N ATOM 647 CA GLU A 37 -2.751 12.186 -14.994 1.00 0.00 C ATOM 648 C GLU A 37 -3.779 11.056 -14.972 1.00 0.00 C ATOM 649 O GLU A 37 -3.601 10.030 -15.627 1.00 0.00 O ATOM 650 CB GLU A 37 -1.337 11.602 -15.030 1.00 0.00 C ATOM 651 CG GLU A 37 -0.868 11.230 -16.427 1.00 0.00 C ATOM 652 CD GLU A 37 0.211 10.165 -16.414 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.139 8.965 -16.399 1.00 0.00 O ATOM 654 OE2 GLU A 37 1.405 10.528 -16.419 1.00 0.00 O ATOM 0 H GLU A 37 -2.579 12.652 -12.955 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.914 12.785 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.643 12.326 -14.604 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.303 10.716 -14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.718 10.874 -17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.489 12.120 -16.928 1.00 0.00 H new ATOM 661 N LEU A 38 -4.852 11.257 -14.214 1.00 0.00 N ATOM 662 CA LEU A 38 -5.913 10.264 -14.100 1.00 0.00 C ATOM 663 C LEU A 38 -7.232 10.836 -14.605 1.00 0.00 C ATOM 664 O LEU A 38 -7.985 10.167 -15.313 1.00 0.00 O ATOM 665 CB LEU A 38 -6.077 9.831 -12.640 1.00 0.00 C ATOM 666 CG LEU A 38 -5.410 8.511 -12.253 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.970 7.367 -13.077 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.902 8.607 -12.410 1.00 0.00 C ATOM 0 H LEU A 38 -5.010 12.103 -13.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.640 9.401 -14.707 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.677 10.618 -12.001 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.142 9.754 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.628 8.310 -11.204 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.482 6.436 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.043 7.284 -12.903 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.788 7.557 -14.135 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.446 7.658 -12.130 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.658 8.834 -13.448 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.519 9.398 -11.765 1.00 0.00 H new ATOM 680 N GLY A 39 -7.509 12.078 -14.218 1.00 0.00 N ATOM 681 CA GLY A 39 -8.741 12.726 -14.618 1.00 0.00 C ATOM 682 C GLY A 39 -9.785 12.669 -13.521 1.00 0.00 C ATOM 683 O GLY A 39 -10.978 12.542 -13.793 1.00 0.00 O ATOM 0 H GLY A 39 -6.898 12.647 -13.632 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.539 13.766 -14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.130 12.246 -15.516 1.00 0.00 H new ATOM 687 N LEU A 40 -9.326 12.753 -12.275 1.00 0.00 N ATOM 688 CA LEU A 40 -10.219 12.698 -11.123 1.00 0.00 C ATOM 689 C LEU A 40 -10.061 13.920 -10.232 1.00 0.00 C ATOM 690 O LEU A 40 -9.569 14.963 -10.661 1.00 0.00 O ATOM 691 CB LEU A 40 -9.973 11.429 -10.300 1.00 0.00 C ATOM 692 CG LEU A 40 -8.948 10.451 -10.854 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.570 10.750 -10.276 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.382 9.048 -10.508 1.00 0.00 C ATOM 0 H LEU A 40 -8.340 12.860 -12.038 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.238 12.683 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.656 11.726 -9.300 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.922 10.904 -10.190 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.884 10.552 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.845 10.043 -10.680 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.276 11.765 -10.543 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.602 10.656 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.656 8.336 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.446 8.943 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.359 8.850 -10.949 1.00 0.00 H new ATOM 706 N ASN A 41 -10.493 13.775 -8.986 1.00 0.00 N ATOM 707 CA ASN A 41 -10.413 14.865 -8.016 1.00 0.00 C ATOM 708 C ASN A 41 -9.633 14.456 -6.765 1.00 0.00 C ATOM 709 O ASN A 41 -8.434 14.715 -6.665 1.00 0.00 O ATOM 710 CB ASN A 41 -11.815 15.379 -7.640 1.00 0.00 C ATOM 711 CG ASN A 41 -12.913 14.809 -8.520 1.00 0.00 C ATOM 712 OD1 ASN A 41 -12.770 14.727 -9.740 1.00 0.00 O ATOM 713 ND2 ASN A 41 -14.021 14.415 -7.901 1.00 0.00 N ATOM 0 H ASN A 41 -10.902 12.915 -8.621 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.867 15.679 -8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.022 15.125 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.828 16.467 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.795 14.026 -8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.097 14.501 -6.887 1.00 0.00 H new ATOM 720 N GLU A 42 -10.311 13.824 -5.811 1.00 0.00 N ATOM 721 CA GLU A 42 -9.668 13.396 -4.575 1.00 0.00 C ATOM 722 C GLU A 42 -10.295 12.106 -4.061 1.00 0.00 C ATOM 723 O GLU A 42 -9.592 11.163 -3.699 1.00 0.00 O ATOM 724 CB GLU A 42 -9.782 14.491 -3.510 1.00 0.00 C ATOM 725 CG GLU A 42 -8.627 15.479 -3.526 1.00 0.00 C ATOM 726 CD GLU A 42 -8.475 16.217 -2.209 1.00 0.00 C ATOM 727 OE1 GLU A 42 -8.809 15.631 -1.158 1.00 0.00 O ATOM 728 OE2 GLU A 42 -8.021 17.380 -2.231 1.00 0.00 O ATOM 0 H GLU A 42 -11.304 13.598 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.614 13.212 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.716 15.034 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.837 14.025 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.702 14.948 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.782 16.201 -4.328 1.00 0.00 H new ATOM 735 N ALA A 43 -11.623 12.071 -4.039 1.00 0.00 N ATOM 736 CA ALA A 43 -12.346 10.896 -3.577 1.00 0.00 C ATOM 737 C ALA A 43 -12.159 9.723 -4.529 1.00 0.00 C ATOM 738 O ALA A 43 -12.499 8.591 -4.197 1.00 0.00 O ATOM 739 CB ALA A 43 -13.823 11.209 -3.420 1.00 0.00 C ATOM 0 H ALA A 43 -12.219 12.844 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.938 10.615 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.349 10.319 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.950 12.011 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.233 11.522 -4.380 1.00 0.00 H new ATOM 745 N GLN A 44 -11.603 9.990 -5.708 1.00 0.00 N ATOM 746 CA GLN A 44 -11.365 8.936 -6.683 1.00 0.00 C ATOM 747 C GLN A 44 -9.921 8.464 -6.596 1.00 0.00 C ATOM 748 O GLN A 44 -9.588 7.362 -7.027 1.00 0.00 O ATOM 749 CB GLN A 44 -11.675 9.411 -8.104 1.00 0.00 C ATOM 750 CG GLN A 44 -13.114 9.864 -8.301 1.00 0.00 C ATOM 751 CD GLN A 44 -13.421 11.215 -7.671 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.585 11.566 -7.483 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.386 11.983 -7.342 1.00 0.00 N ATOM 0 H GLN A 44 -11.312 10.921 -6.007 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.033 8.106 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.007 10.235 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.460 8.602 -8.802 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.327 9.914 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.783 9.115 -7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.435 11.658 -7.513 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.544 12.897 -6.918 1.00 0.00 H new ATOM 762 N ILE A 45 -9.068 9.303 -6.013 1.00 0.00 N ATOM 763 CA ILE A 45 -7.675 8.978 -5.841 1.00 0.00 C ATOM 764 C ILE A 45 -7.546 7.687 -5.069 1.00 0.00 C ATOM 765 O ILE A 45 -7.035 6.691 -5.577 1.00 0.00 O ATOM 766 CB ILE A 45 -6.951 10.118 -5.089 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.166 11.435 -5.820 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.468 9.835 -4.963 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.588 11.417 -7.210 1.00 0.00 C ATOM 0 H ILE A 45 -9.332 10.220 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.214 8.857 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.370 10.185 -4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.234 11.647 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.709 12.244 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.985 10.654 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.320 8.906 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.030 9.741 -5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.767 12.379 -7.691 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.515 11.232 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.063 10.627 -7.791 1.00 0.00 H new ATOM 781 N LYS A 46 -8.051 7.704 -3.852 1.00 0.00 N ATOM 782 CA LYS A 46 -8.022 6.522 -3.002 1.00 0.00 C ATOM 783 C LYS A 46 -8.770 5.363 -3.658 1.00 0.00 C ATOM 784 O LYS A 46 -8.659 4.216 -3.226 1.00 0.00 O ATOM 785 CB LYS A 46 -8.640 6.835 -1.640 1.00 0.00 C ATOM 786 CG LYS A 46 -7.951 7.975 -0.908 1.00 0.00 C ATOM 787 CD LYS A 46 -8.397 8.057 0.543 1.00 0.00 C ATOM 788 CE LYS A 46 -9.413 9.169 0.751 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.212 9.867 2.051 1.00 0.00 N ATOM 0 H LYS A 46 -8.487 8.521 -3.426 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.981 6.229 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.692 7.085 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.603 5.940 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.871 7.835 -0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.171 8.917 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.832 7.104 0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.531 8.230 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.335 9.889 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.420 8.753 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.924 10.618 2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.311 9.185 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.261 10.286 2.077 1.00 0.00 H new ATOM 803 N ILE A 47 -9.558 5.675 -4.689 1.00 0.00 N ATOM 804 CA ILE A 47 -10.348 4.665 -5.379 1.00 0.00 C ATOM 805 C ILE A 47 -9.535 3.804 -6.351 1.00 0.00 C ATOM 806 O ILE A 47 -9.806 2.608 -6.467 1.00 0.00 O ATOM 807 CB ILE A 47 -11.546 5.316 -6.119 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.813 5.194 -5.272 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.767 4.704 -7.498 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.734 5.959 -3.971 1.00 0.00 C ATOM 0 H ILE A 47 -9.663 6.619 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.715 3.994 -4.602 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.310 6.370 -6.267 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.664 5.557 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.999 4.142 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.615 5.190 -7.980 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.874 4.846 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.970 3.638 -7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.664 5.832 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.903 5.581 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.578 7.017 -4.180 1.00 0.00 H new ATOM 822 N TRP A 48 -8.560 4.371 -7.068 1.00 0.00 N ATOM 823 CA TRP A 48 -7.805 3.535 -8.007 1.00 0.00 C ATOM 824 C TRP A 48 -6.786 2.647 -7.291 1.00 0.00 C ATOM 825 O TRP A 48 -6.551 1.519 -7.722 1.00 0.00 O ATOM 826 CB TRP A 48 -7.135 4.324 -9.145 1.00 0.00 C ATOM 827 CG TRP A 48 -6.959 5.781 -8.902 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.901 6.754 -8.999 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.746 6.429 -8.562 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.345 7.974 -8.719 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.018 7.797 -8.446 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.455 5.977 -8.334 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.039 8.718 -8.111 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.487 6.887 -8.003 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.784 8.247 -7.891 1.00 0.00 C ATOM 0 H TRP A 48 -8.284 5.352 -7.024 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.552 2.895 -8.476 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.156 3.886 -9.339 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.728 4.194 -10.051 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.936 6.590 -9.259 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.839 8.866 -8.715 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.217 4.927 -8.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.265 9.771 -8.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.477 6.547 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.999 8.939 -7.624 1.00 0.00 H new ATOM 846 N PHE A 49 -6.198 3.119 -6.186 1.00 0.00 N ATOM 847 CA PHE A 49 -5.246 2.279 -5.456 1.00 0.00 C ATOM 848 C PHE A 49 -5.986 1.100 -4.852 1.00 0.00 C ATOM 849 O PHE A 49 -5.514 -0.037 -4.903 1.00 0.00 O ATOM 850 CB PHE A 49 -4.514 3.028 -4.337 1.00 0.00 C ATOM 851 CG PHE A 49 -4.078 4.409 -4.686 1.00 0.00 C ATOM 852 CD1 PHE A 49 -4.935 5.468 -4.513 1.00 0.00 C ATOM 853 CD2 PHE A 49 -2.805 4.649 -5.173 1.00 0.00 C ATOM 854 CE1 PHE A 49 -4.545 6.743 -4.822 1.00 0.00 C ATOM 855 CE2 PHE A 49 -2.403 5.930 -5.483 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.280 6.986 -5.308 1.00 0.00 C ATOM 0 H PHE A 49 -6.357 4.045 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.493 1.954 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.167 3.078 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.638 2.449 -4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.929 5.293 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.121 3.825 -5.311 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.234 7.563 -4.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.407 6.109 -5.861 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.974 7.993 -5.551 1.00 0.00 H new ATOM 866 N GLN A 50 -7.162 1.374 -4.288 1.00 0.00 N ATOM 867 CA GLN A 50 -7.968 0.319 -3.691 1.00 0.00 C ATOM 868 C GLN A 50 -8.374 -0.679 -4.765 1.00 0.00 C ATOM 869 O GLN A 50 -8.513 -1.874 -4.502 1.00 0.00 O ATOM 870 CB GLN A 50 -9.206 0.902 -3.006 1.00 0.00 C ATOM 871 CG GLN A 50 -10.178 1.560 -3.966 1.00 0.00 C ATOM 872 CD GLN A 50 -11.533 1.821 -3.338 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.481 1.064 -3.544 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.629 2.897 -2.565 1.00 0.00 N ATOM 0 H GLN A 50 -7.571 2.307 -4.234 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.375 -0.192 -2.932 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.722 0.106 -2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.889 1.635 -2.264 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.756 2.503 -4.315 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.304 0.924 -4.842 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.816 3.497 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.515 3.124 -2.114 1.00 0.00 H new ATOM 883 N ASN A 51 -8.538 -0.177 -5.985 1.00 0.00 N ATOM 884 CA ASN A 51 -8.897 -1.016 -7.115 1.00 0.00 C ATOM 885 C ASN A 51 -7.654 -1.721 -7.645 1.00 0.00 C ATOM 886 O ASN A 51 -7.729 -2.844 -8.140 1.00 0.00 O ATOM 887 CB ASN A 51 -9.544 -0.180 -8.221 1.00 0.00 C ATOM 888 CG ASN A 51 -11.053 -0.325 -8.249 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.590 -1.393 -7.955 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.744 0.752 -8.605 1.00 0.00 N ATOM 0 H ASN A 51 -8.427 0.811 -6.213 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.619 -1.763 -6.785 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.285 0.869 -8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.135 -0.480 -9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.763 0.715 -8.643 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.256 1.616 -8.840 1.00 0.00 H new ATOM 897 N LYS A 52 -6.506 -1.054 -7.525 1.00 0.00 N ATOM 898 CA LYS A 52 -5.247 -1.625 -7.981 1.00 0.00 C ATOM 899 C LYS A 52 -4.926 -2.898 -7.203 1.00 0.00 C ATOM 900 O LYS A 52 -4.276 -3.806 -7.719 1.00 0.00 O ATOM 901 CB LYS A 52 -4.111 -0.612 -7.817 1.00 0.00 C ATOM 902 CG LYS A 52 -4.143 0.509 -8.845 1.00 0.00 C ATOM 903 CD LYS A 52 -2.803 0.665 -9.546 1.00 0.00 C ATOM 904 CE LYS A 52 -1.878 1.597 -8.781 1.00 0.00 C ATOM 905 NZ LYS A 52 -2.010 3.009 -9.237 1.00 0.00 N ATOM 0 H LYS A 52 -6.426 -0.122 -7.117 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.346 -1.875 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.162 -0.179 -6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.157 -1.134 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.919 0.304 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.409 1.445 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.331 -0.312 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.961 1.053 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.102 1.537 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.846 1.269 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.363 3.612 -8.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.771 3.071 -10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.988 3.331 -9.092 1.00 0.00 H new ATOM 919 N ARG A 53 -5.394 -2.958 -5.958 1.00 0.00 N ATOM 920 CA ARG A 53 -5.164 -4.121 -5.110 1.00 0.00 C ATOM 921 C ARG A 53 -6.412 -4.997 -5.040 1.00 0.00 C ATOM 922 O ARG A 53 -6.625 -5.713 -4.063 1.00 0.00 O ATOM 923 CB ARG A 53 -4.752 -3.681 -3.703 1.00 0.00 C ATOM 924 CG ARG A 53 -3.316 -4.038 -3.350 1.00 0.00 C ATOM 925 CD ARG A 53 -2.411 -2.815 -3.379 1.00 0.00 C ATOM 926 NE ARG A 53 -1.507 -2.831 -4.525 1.00 0.00 N ATOM 927 CZ ARG A 53 -0.402 -2.092 -4.609 1.00 0.00 C ATOM 928 NH1 ARG A 53 -0.060 -1.281 -3.614 1.00 0.00 N ATOM 929 NH2 ARG A 53 0.363 -2.164 -5.689 1.00 0.00 N ATOM 0 H ARG A 53 -5.934 -2.214 -5.516 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.356 -4.706 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.881 -2.602 -3.616 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.421 -4.142 -2.977 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.286 -4.490 -2.359 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.943 -4.784 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.022 -1.913 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.829 -2.773 -2.458 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.735 -3.444 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.645 -1.222 -2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.787 -0.717 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.106 -2.785 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.209 -1.598 -5.753 1.00 0.00 H new ATOM 943 N ALA A 54 -7.235 -4.933 -6.083 1.00 0.00 N ATOM 944 CA ALA A 54 -8.461 -5.719 -6.139 1.00 0.00 C ATOM 945 C ALA A 54 -8.261 -6.996 -6.951 1.00 0.00 C ATOM 946 O ALA A 54 -9.217 -7.566 -7.475 1.00 0.00 O ATOM 947 CB ALA A 54 -9.593 -4.890 -6.728 1.00 0.00 C ATOM 0 H ALA A 54 -7.074 -4.344 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.725 -6.005 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.503 -5.490 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.762 -4.011 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.326 -4.575 -7.737 1.00 0.00 H new ATOM 953 N LYS A 55 -7.011 -7.439 -7.050 1.00 0.00 N ATOM 954 CA LYS A 55 -6.685 -8.648 -7.796 1.00 0.00 C ATOM 955 C LYS A 55 -5.342 -9.216 -7.346 1.00 0.00 C ATOM 956 O LYS A 55 -4.630 -9.848 -8.126 1.00 0.00 O ATOM 957 CB LYS A 55 -6.652 -8.354 -9.296 1.00 0.00 C ATOM 958 CG LYS A 55 -7.189 -9.491 -10.151 1.00 0.00 C ATOM 959 CD LYS A 55 -7.571 -9.010 -11.543 1.00 0.00 C ATOM 960 CE LYS A 55 -9.074 -8.824 -11.674 1.00 0.00 C ATOM 961 NZ LYS A 55 -9.750 -10.071 -12.129 1.00 0.00 N ATOM 0 H LYS A 55 -6.208 -6.978 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.459 -9.389 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.235 -7.455 -9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.625 -8.140 -9.593 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.436 -10.275 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.060 -9.933 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.067 -8.067 -11.755 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.226 -9.730 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.487 -8.517 -10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.280 -8.020 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.773 -9.903 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.374 -10.351 -13.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.575 -10.831 -11.442 1.00 0.00 H new ATOM 975 N ILE A 56 -5.004 -8.985 -6.081 1.00 0.00 N ATOM 976 CA ILE A 56 -3.748 -9.473 -5.524 1.00 0.00 C ATOM 977 C ILE A 56 -3.771 -9.416 -4.002 1.00 0.00 C ATOM 978 O ILE A 56 -2.794 -9.022 -3.363 1.00 0.00 O ATOM 979 CB ILE A 56 -2.549 -8.656 -6.049 1.00 0.00 C ATOM 980 CG1 ILE A 56 -1.230 -9.278 -5.580 1.00 0.00 C ATOM 981 CG2 ILE A 56 -2.658 -7.206 -5.595 1.00 0.00 C ATOM 982 CD1 ILE A 56 -0.440 -9.929 -6.693 1.00 0.00 C ATOM 0 H ILE A 56 -5.583 -8.463 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.634 -10.509 -5.842 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.563 -8.675 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.618 -8.505 -5.115 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.441 -10.022 -4.812 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.805 -6.641 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.580 -6.772 -5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.666 -7.165 -4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.481 -10.348 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.034 -10.725 -7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.198 -9.184 -7.451 1.00 0.00 H new ATOM 994 N ARG A 57 -4.896 -9.816 -3.430 1.00 0.00 N ATOM 995 CA ARG A 57 -5.066 -9.816 -1.982 1.00 0.00 C ATOM 996 C ARG A 57 -6.058 -10.894 -1.553 1.00 0.00 C ATOM 997 O ARG A 57 -5.802 -11.651 -0.617 1.00 0.00 O ATOM 998 CB ARG A 57 -5.542 -8.441 -1.502 1.00 0.00 C ATOM 999 CG ARG A 57 -4.588 -7.774 -0.527 1.00 0.00 C ATOM 1000 CD ARG A 57 -5.333 -6.934 0.500 1.00 0.00 C ATOM 1001 NE ARG A 57 -4.909 -5.536 0.475 1.00 0.00 N ATOM 1002 CZ ARG A 57 -5.449 -4.585 1.233 1.00 0.00 C ATOM 1003 NH1 ARG A 57 -6.432 -4.876 2.075 1.00 0.00 N ATOM 1004 NH2 ARG A 57 -5.004 -3.338 1.149 1.00 0.00 N ATOM 0 H ARG A 57 -5.710 -10.147 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.101 -10.035 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.678 -7.791 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.517 -8.549 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.998 -8.535 -0.016 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.889 -7.143 -1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.404 -6.991 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.166 -7.346 1.495 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.155 -5.274 -0.160 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.778 -5.833 2.144 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.842 -4.143 2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.248 -3.109 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.418 -2.609 1.730 1.00 0.00 H new ATOM 1018 N ARG A 58 -7.190 -10.955 -2.246 1.00 0.00 N ATOM 1019 CA ARG A 58 -8.222 -11.939 -1.938 1.00 0.00 C ATOM 1020 C ARG A 58 -7.676 -13.358 -2.064 1.00 0.00 C ATOM 1021 O ARG A 58 -8.013 -14.236 -1.269 1.00 0.00 O ATOM 1022 CB ARG A 58 -9.421 -11.758 -2.871 1.00 0.00 C ATOM 1023 CG ARG A 58 -10.425 -10.729 -2.378 1.00 0.00 C ATOM 1024 CD ARG A 58 -10.239 -9.391 -3.076 1.00 0.00 C ATOM 1025 NE ARG A 58 -10.900 -9.357 -4.379 1.00 0.00 N ATOM 1026 CZ ARG A 58 -11.187 -8.236 -5.036 1.00 0.00 C ATOM 1027 NH1 ARG A 58 -10.873 -7.055 -4.517 1.00 0.00 N ATOM 1028 NH2 ARG A 58 -11.790 -8.295 -6.216 1.00 0.00 N ATOM 0 H ARG A 58 -7.416 -10.335 -3.024 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.543 -11.783 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.062 -11.461 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -9.925 -12.717 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.437 -11.094 -2.552 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.314 -10.598 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.637 -8.595 -2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.175 -9.194 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.156 -10.245 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.409 -7.004 -3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.096 -6.199 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.034 -9.200 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.010 -7.436 -6.720 1.00 0.00 H new ATOM 1042 N SER A 59 -6.830 -13.573 -3.066 1.00 0.00 N ATOM 1043 CA SER A 59 -6.235 -14.885 -3.296 1.00 0.00 C ATOM 1044 C SER A 59 -4.712 -14.804 -3.273 1.00 0.00 C ATOM 1045 O SER A 59 -4.061 -15.814 -3.614 1.00 0.00 O ATOM 1046 CB SER A 59 -6.705 -15.455 -4.636 1.00 0.00 C ATOM 1047 OG SER A 59 -8.101 -15.701 -4.624 1.00 0.00 O ATOM 1048 OXT SER A 59 -4.183 -13.732 -2.912 1.00 0.00 O ATOM 0 H SER A 59 -6.541 -12.856 -3.732 1.00 0.00 H new ATOM 0 HA SER A 59 -6.559 -15.547 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.462 -14.757 -5.437 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.171 -16.381 -4.848 1.00 0.00 H new ATOM 0 HG SER A 59 -8.377 -16.063 -5.492 1.00 0.00 H new TER 1054 SER A 59