USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 920 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 25 GLN : amide:sc= 0 X(o=0.08,f=0.08) USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.0801 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 0.203 (180deg=0.0442) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0289 (180deg=-0.267) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.53 (180deg=0.911) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= -0.0962 (180deg=-0.407) USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 0.791 (180deg=-0.715) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.56) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0.503 (180deg=-0.245) USER MOD Single : A 47 MET CE :methyl -161:sc= 0 (180deg=-0.0742) USER MOD Single : A 50 CYS SG : rot 170:sc= -1.57 USER MOD Single : A 51 TYR OH : rot 81:sc= 0.627 USER MOD Single : A 52 LYS NZ :NH3+ -136:sc= 2.39 (180deg=1.87) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 0.498 (180deg=0.264) USER MOD Single : A 58 SER OG : rot 107:sc= 0.0586 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 164:sc= 0.209 USER MOD Single : A 65 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.065) USER MOD Single : A 70 LYS NZ :NH3+ 164:sc= -0.0817 (180deg=-0.408) USER MOD Single : A 77 SER OG : rot 21:sc= 0.345 USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 0.408 (180deg=0.232) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.13) USER MOD Single : B 70 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD Single : B 75 THR OG1 : rot -58:sc= 0.928 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.929 12.723 -6.492 1.00 0.00 N ATOM 19 CA ALA A 2 9.207 12.264 -5.967 1.00 0.00 C ATOM 20 C ALA A 2 9.375 10.776 -6.209 1.00 0.00 C ATOM 21 O ALA A 2 10.359 10.340 -6.809 1.00 0.00 O ATOM 22 CB ALA A 2 9.332 12.586 -4.491 1.00 0.00 C ATOM 0 HA ALA A 2 10.003 12.791 -6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.295 12.233 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.261 13.664 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.530 12.093 -3.942 1.00 0.00 H new ATOM 28 N TYR A 3 8.427 10.018 -5.750 1.00 0.00 N ATOM 29 CA TYR A 3 8.400 8.596 -5.980 1.00 0.00 C ATOM 30 C TYR A 3 7.343 8.292 -7.007 1.00 0.00 C ATOM 31 O TYR A 3 6.341 9.012 -7.094 1.00 0.00 O ATOM 32 CB TYR A 3 8.080 7.839 -4.683 1.00 0.00 C ATOM 33 CG TYR A 3 9.182 7.851 -3.638 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.343 8.929 -2.779 1.00 0.00 C ATOM 35 CD2 TYR A 3 10.057 6.775 -3.507 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.335 8.943 -1.827 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.057 6.777 -2.550 1.00 0.00 C ATOM 38 CZ TYR A 3 11.188 7.870 -1.711 1.00 0.00 C ATOM 39 OH TYR A 3 12.170 7.891 -0.750 1.00 0.00 O ATOM 0 H TYR A 3 7.642 10.366 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 3 9.380 8.275 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.180 8.268 -4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.850 6.803 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.676 9.774 -2.860 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.953 5.924 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.444 9.795 -1.172 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.727 5.935 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 3 12.689 7.061 -0.794 1.00 0.00 H new ATOM 49 N PHE A 4 7.573 7.282 -7.813 1.00 0.00 N ATOM 50 CA PHE A 4 6.555 6.841 -8.756 1.00 0.00 C ATOM 51 C PHE A 4 5.532 6.000 -8.000 1.00 0.00 C ATOM 52 O PHE A 4 5.766 5.629 -6.833 1.00 0.00 O ATOM 53 CB PHE A 4 7.163 6.006 -9.895 1.00 0.00 C ATOM 54 CG PHE A 4 8.237 6.702 -10.677 1.00 0.00 C ATOM 55 CD1 PHE A 4 7.921 7.667 -11.619 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.564 6.382 -10.475 1.00 0.00 C ATOM 57 CE1 PHE A 4 8.916 8.297 -12.339 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.557 7.005 -11.185 1.00 0.00 C ATOM 59 CZ PHE A 4 10.239 7.964 -12.119 1.00 0.00 C ATOM 0 H PHE A 4 8.444 6.751 -7.841 1.00 0.00 H new ATOM 0 HA PHE A 4 6.086 7.718 -9.202 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.575 5.088 -9.475 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.366 5.714 -10.579 1.00 0.00 H new ATOM 0 HD1 PHE A 4 6.888 7.929 -11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.824 5.629 -9.746 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.661 9.048 -13.072 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.590 6.743 -11.011 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.021 8.455 -12.679 1.00 0.00 H new ATOM 69 N LEU A 5 4.431 5.677 -8.626 1.00 0.00 N ATOM 70 CA LEU A 5 3.434 4.881 -7.984 1.00 0.00 C ATOM 71 C LEU A 5 3.313 3.547 -8.698 1.00 0.00 C ATOM 72 O LEU A 5 3.277 3.497 -9.923 1.00 0.00 O ATOM 73 CB LEU A 5 2.098 5.624 -7.982 1.00 0.00 C ATOM 74 CG LEU A 5 0.918 4.900 -7.350 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.167 4.613 -5.873 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.333 5.712 -7.532 1.00 0.00 C ATOM 0 H LEU A 5 4.207 5.956 -9.581 1.00 0.00 H new ATOM 0 HA LEU A 5 3.722 4.696 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.236 6.571 -7.461 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.839 5.862 -9.014 1.00 0.00 H new ATOM 0 HG LEU A 5 0.795 3.940 -7.851 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.305 4.095 -5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.053 3.987 -5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.321 5.552 -5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.175 5.190 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.209 6.684 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.524 5.852 -8.596 1.00 0.00 H new ATOM 88 N ASP A 6 3.274 2.486 -7.947 1.00 0.00 N ATOM 89 CA ASP A 6 3.144 1.142 -8.528 1.00 0.00 C ATOM 90 C ASP A 6 2.190 0.313 -7.744 1.00 0.00 C ATOM 91 O ASP A 6 1.978 0.550 -6.560 1.00 0.00 O ATOM 92 CB ASP A 6 4.484 0.394 -8.626 1.00 0.00 C ATOM 93 CG ASP A 6 5.178 0.527 -9.968 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.573 1.631 -10.347 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.363 -0.501 -10.661 1.00 0.00 O ATOM 0 H ASP A 6 3.329 2.504 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 6 2.769 1.295 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.151 0.764 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.312 -0.663 -8.422 1.00 0.00 H new ATOM 100 N PHE A 7 1.597 -0.634 -8.403 1.00 0.00 N ATOM 101 CA PHE A 7 0.691 -1.576 -7.776 1.00 0.00 C ATOM 102 C PHE A 7 0.961 -2.961 -8.270 1.00 0.00 C ATOM 103 O PHE A 7 1.316 -3.154 -9.440 1.00 0.00 O ATOM 104 CB PHE A 7 -0.786 -1.229 -8.039 1.00 0.00 C ATOM 105 CG PHE A 7 -1.356 -0.136 -7.179 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.138 1.187 -7.483 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.139 -0.443 -6.080 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.682 2.189 -6.714 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.688 0.560 -5.303 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.458 1.876 -5.622 1.00 0.00 C ATOM 0 H PHE A 7 1.723 -0.785 -9.404 1.00 0.00 H new ATOM 0 HA PHE A 7 0.868 -1.517 -6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.892 -0.938 -9.084 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.384 -2.129 -7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.531 1.443 -8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.323 -1.477 -5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.500 3.223 -6.968 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.297 0.309 -4.447 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.885 2.663 -5.017 1.00 0.00 H new ATOM 120 N ASP A 8 0.840 -3.904 -7.379 1.00 0.00 N ATOM 121 CA ASP A 8 0.950 -5.320 -7.705 1.00 0.00 C ATOM 122 C ASP A 8 -0.245 -5.747 -8.553 1.00 0.00 C ATOM 123 O ASP A 8 -1.325 -5.162 -8.428 1.00 0.00 O ATOM 124 CB ASP A 8 1.013 -6.135 -6.402 1.00 0.00 C ATOM 125 CG ASP A 8 0.888 -7.620 -6.611 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.866 -8.261 -6.996 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.212 -8.166 -6.382 1.00 0.00 O ATOM 0 H ASP A 8 0.660 -3.722 -6.392 1.00 0.00 H new ATOM 0 HA ASP A 8 1.859 -5.500 -8.278 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.957 -5.926 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.216 -5.802 -5.737 1.00 0.00 H new ATOM 132 N GLU A 9 -0.043 -6.737 -9.418 1.00 0.00 N ATOM 133 CA GLU A 9 -1.080 -7.271 -10.310 1.00 0.00 C ATOM 134 C GLU A 9 -2.371 -7.639 -9.531 1.00 0.00 C ATOM 135 O GLU A 9 -3.482 -7.472 -10.041 1.00 0.00 O ATOM 136 CB GLU A 9 -0.532 -8.513 -11.011 1.00 0.00 C ATOM 137 CG GLU A 9 -0.737 -8.576 -12.528 1.00 0.00 C ATOM 138 CD GLU A 9 -2.180 -8.714 -12.963 1.00 0.00 C ATOM 139 OE1 GLU A 9 -2.796 -9.767 -12.687 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.723 -7.799 -13.614 1.00 0.00 O ATOM 0 H GLU A 9 0.859 -7.201 -9.524 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.341 -6.503 -11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.537 -8.579 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.997 -9.392 -10.565 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.321 -7.673 -12.976 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.170 -9.419 -12.924 1.00 0.00 H new ATOM 147 N ARG A 10 -2.228 -8.114 -8.296 1.00 0.00 N ATOM 148 CA ARG A 10 -3.388 -8.479 -7.500 1.00 0.00 C ATOM 149 C ARG A 10 -3.992 -7.239 -6.889 1.00 0.00 C ATOM 150 O ARG A 10 -5.209 -7.074 -6.895 1.00 0.00 O ATOM 151 CB ARG A 10 -3.031 -9.458 -6.382 1.00 0.00 C ATOM 152 CG ARG A 10 -2.351 -10.725 -6.840 1.00 0.00 C ATOM 153 CD ARG A 10 -2.083 -11.644 -5.664 1.00 0.00 C ATOM 154 NE ARG A 10 -1.314 -12.821 -6.056 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.819 -13.730 -5.216 1.00 0.00 C ATOM 156 NH1 ARG A 10 -1.126 -13.686 -3.921 1.00 0.00 N ATOM 157 NH2 ARG A 10 -0.054 -14.686 -5.684 1.00 0.00 N ATOM 0 H ARG A 10 -1.330 -8.253 -7.833 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.101 -8.967 -8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.381 -8.951 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.943 -9.725 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.977 -11.236 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.413 -10.481 -7.338 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.541 -11.097 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.030 -11.959 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.142 -12.959 -7.052 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.743 -12.954 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.745 -14.384 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.157 -14.729 -6.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.331 -15.387 -5.051 1.00 0.00 H new ATOM 171 N ALA A 11 -3.123 -6.345 -6.414 1.00 0.00 N ATOM 172 CA ALA A 11 -3.524 -5.088 -5.755 1.00 0.00 C ATOM 173 C ALA A 11 -4.389 -4.232 -6.676 1.00 0.00 C ATOM 174 O ALA A 11 -5.273 -3.501 -6.220 1.00 0.00 O ATOM 175 CB ALA A 11 -2.301 -4.311 -5.294 1.00 0.00 C ATOM 0 H ALA A 11 -2.112 -6.468 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.121 -5.345 -4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.618 -3.387 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.732 -4.914 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.675 -4.074 -6.154 1.00 0.00 H new ATOM 181 N LEU A 12 -4.127 -4.349 -7.970 1.00 0.00 N ATOM 182 CA LEU A 12 -4.911 -3.686 -9.014 1.00 0.00 C ATOM 183 C LEU A 12 -6.385 -4.053 -8.870 1.00 0.00 C ATOM 184 O LEU A 12 -7.264 -3.196 -8.734 1.00 0.00 O ATOM 185 CB LEU A 12 -4.429 -4.152 -10.404 1.00 0.00 C ATOM 186 CG LEU A 12 -2.981 -3.873 -10.819 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.700 -4.541 -12.150 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.718 -2.388 -10.934 1.00 0.00 C ATOM 0 H LEU A 12 -3.357 -4.911 -8.333 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.783 -2.608 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.587 -5.229 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.079 -3.693 -11.149 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.322 -4.277 -10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.670 -4.343 -12.446 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.850 -5.617 -12.056 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.377 -4.145 -12.906 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.682 -2.224 -11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.382 -1.958 -11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.900 -1.911 -9.971 1.00 0.00 H new ATOM 200 N LYS A 13 -6.619 -5.339 -8.814 1.00 0.00 N ATOM 201 CA LYS A 13 -7.955 -5.906 -8.788 1.00 0.00 C ATOM 202 C LYS A 13 -8.597 -5.573 -7.455 1.00 0.00 C ATOM 203 O LYS A 13 -9.805 -5.386 -7.357 1.00 0.00 O ATOM 204 CB LYS A 13 -7.865 -7.438 -8.934 1.00 0.00 C ATOM 205 CG LYS A 13 -6.809 -7.916 -9.932 1.00 0.00 C ATOM 206 CD LYS A 13 -7.066 -7.437 -11.348 1.00 0.00 C ATOM 207 CE LYS A 13 -5.824 -7.620 -12.211 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.332 -9.010 -12.205 1.00 0.00 N ATOM 0 H LYS A 13 -5.878 -6.039 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.548 -5.497 -9.606 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.648 -7.872 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.838 -7.819 -9.243 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.828 -7.566 -9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.777 -9.006 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.900 -7.991 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.355 -6.386 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.050 -7.322 -13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.036 -6.957 -11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.539 -9.100 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.010 -9.260 -11.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.099 -9.651 -12.491 1.00 0.00 H new ATOM 222 N GLU A 14 -7.752 -5.462 -6.453 1.00 0.00 N ATOM 223 CA GLU A 14 -8.149 -5.210 -5.098 1.00 0.00 C ATOM 224 C GLU A 14 -8.835 -3.868 -4.905 1.00 0.00 C ATOM 225 O GLU A 14 -9.892 -3.814 -4.281 1.00 0.00 O ATOM 226 CB GLU A 14 -6.976 -5.379 -4.158 1.00 0.00 C ATOM 227 CG GLU A 14 -6.480 -6.818 -4.097 1.00 0.00 C ATOM 228 CD GLU A 14 -5.426 -7.079 -3.050 1.00 0.00 C ATOM 229 OE1 GLU A 14 -4.419 -6.354 -2.974 1.00 0.00 O ATOM 230 OE2 GLU A 14 -5.571 -8.053 -2.291 1.00 0.00 O ATOM 0 H GLU A 14 -6.742 -5.548 -6.569 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.903 -5.958 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.161 -4.730 -4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.266 -5.055 -3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.330 -7.473 -3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.078 -7.091 -5.073 1.00 0.00 H new ATOM 237 N TRP A 15 -8.295 -2.786 -5.468 1.00 0.00 N ATOM 238 CA TRP A 15 -8.960 -1.500 -5.268 1.00 0.00 C ATOM 239 C TRP A 15 -10.242 -1.454 -6.085 1.00 0.00 C ATOM 240 O TRP A 15 -11.189 -0.743 -5.756 1.00 0.00 O ATOM 241 CB TRP A 15 -8.061 -0.247 -5.563 1.00 0.00 C ATOM 242 CG TRP A 15 -7.882 0.154 -7.024 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.817 0.745 -7.842 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.688 0.079 -7.804 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.292 0.971 -9.077 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.992 0.586 -9.085 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.407 -0.382 -7.562 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.059 0.646 -10.106 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.481 -0.314 -8.578 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.811 0.194 -9.834 1.00 0.00 C ATOM 0 H TRP A 15 -7.447 -2.769 -6.035 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.188 -1.436 -4.204 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.482 0.604 -5.028 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.074 -0.432 -5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.825 0.994 -7.546 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.796 1.367 -9.870 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.139 -0.786 -6.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.315 1.037 -11.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.475 -0.662 -8.398 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.056 0.228 -10.606 1.00 0.00 H new ATOM 261 N ARG A 16 -10.274 -2.247 -7.136 1.00 0.00 N ATOM 262 CA ARG A 16 -11.399 -2.246 -8.046 1.00 0.00 C ATOM 263 C ARG A 16 -12.587 -3.051 -7.511 1.00 0.00 C ATOM 264 O ARG A 16 -13.726 -2.866 -7.954 1.00 0.00 O ATOM 265 CB ARG A 16 -10.963 -2.730 -9.426 1.00 0.00 C ATOM 266 CG ARG A 16 -9.779 -1.939 -9.944 1.00 0.00 C ATOM 267 CD ARG A 16 -9.364 -2.315 -11.346 1.00 0.00 C ATOM 268 NE ARG A 16 -10.386 -1.994 -12.359 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.130 -1.817 -13.667 1.00 0.00 C ATOM 270 NH1 ARG A 16 -8.911 -2.052 -14.147 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.098 -1.436 -14.489 1.00 0.00 N ATOM 0 H ARG A 16 -9.531 -2.902 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.749 -1.218 -8.136 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.702 -3.787 -9.376 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.795 -2.640 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.024 -0.877 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.933 -2.086 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.438 -1.796 -11.596 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.150 -3.383 -11.381 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.352 -1.900 -12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.169 -2.367 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.719 -1.917 -15.140 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.039 -1.277 -14.129 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.902 -1.302 -15.481 1.00 0.00 H new ATOM 285 N LYS A 17 -12.337 -3.928 -6.555 1.00 0.00 N ATOM 286 CA LYS A 17 -13.404 -4.733 -5.970 1.00 0.00 C ATOM 287 C LYS A 17 -13.982 -4.106 -4.692 1.00 0.00 C ATOM 288 O LYS A 17 -15.016 -4.558 -4.176 1.00 0.00 O ATOM 289 CB LYS A 17 -12.956 -6.218 -5.767 1.00 0.00 C ATOM 290 CG LYS A 17 -11.648 -6.430 -4.972 1.00 0.00 C ATOM 291 CD LYS A 17 -11.804 -6.281 -3.452 1.00 0.00 C ATOM 292 CE LYS A 17 -12.523 -7.471 -2.825 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.743 -8.734 -2.955 1.00 0.00 N ATOM 0 H LYS A 17 -11.410 -4.103 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.225 -4.747 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.758 -6.752 -5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.840 -6.679 -6.748 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.261 -7.425 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.904 -5.714 -5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.820 -6.173 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.358 -5.368 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.707 -7.267 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.496 -7.597 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.132 -9.450 -2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.804 -9.080 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.748 -8.554 -2.713 1.00 0.00 H new ATOM 307 N LEU A 18 -13.346 -3.062 -4.204 1.00 0.00 N ATOM 308 CA LEU A 18 -13.793 -2.421 -2.980 1.00 0.00 C ATOM 309 C LEU A 18 -14.536 -1.111 -3.242 1.00 0.00 C ATOM 310 O LEU A 18 -14.596 -0.640 -4.386 1.00 0.00 O ATOM 311 CB LEU A 18 -12.635 -2.275 -1.959 1.00 0.00 C ATOM 312 CG LEU A 18 -11.334 -1.587 -2.424 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.489 -0.089 -2.610 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.207 -1.885 -1.468 1.00 0.00 C ATOM 0 H LEU A 18 -12.522 -2.639 -4.631 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.529 -3.081 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.016 -1.721 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.376 -3.273 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.096 -2.001 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.541 0.337 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.254 0.107 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.784 0.366 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.298 -1.392 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.466 -1.518 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.042 -2.962 -1.425 1.00 0.00 H new ATOM 326 N GLY A 19 -15.117 -0.559 -2.187 1.00 0.00 N ATOM 327 CA GLY A 19 -15.874 0.678 -2.263 1.00 0.00 C ATOM 328 C GLY A 19 -15.065 1.865 -2.768 1.00 0.00 C ATOM 329 O GLY A 19 -13.904 2.073 -2.368 1.00 0.00 O ATOM 0 H GLY A 19 -15.075 -0.960 -1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.731 0.529 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.268 0.913 -1.274 1.00 0.00 H new ATOM 333 N SER A 20 -15.691 2.659 -3.601 1.00 0.00 N ATOM 334 CA SER A 20 -15.077 3.797 -4.238 1.00 0.00 C ATOM 335 C SER A 20 -14.592 4.848 -3.218 1.00 0.00 C ATOM 336 O SER A 20 -13.518 5.413 -3.380 1.00 0.00 O ATOM 337 CB SER A 20 -16.071 4.402 -5.221 1.00 0.00 C ATOM 338 OG SER A 20 -16.555 3.393 -6.109 1.00 0.00 O ATOM 0 H SER A 20 -16.668 2.528 -3.862 1.00 0.00 H new ATOM 0 HA SER A 20 -14.188 3.461 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.903 4.851 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.593 5.200 -5.790 1.00 0.00 H new ATOM 0 HG SER A 20 -17.195 3.789 -6.737 1.00 0.00 H new ATOM 344 N THR A 21 -15.348 5.045 -2.143 1.00 0.00 N ATOM 345 CA THR A 21 -14.994 6.024 -1.117 1.00 0.00 C ATOM 346 C THR A 21 -13.646 5.662 -0.443 1.00 0.00 C ATOM 347 O THR A 21 -12.873 6.542 -0.024 1.00 0.00 O ATOM 348 CB THR A 21 -16.121 6.098 -0.069 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.368 6.360 -0.740 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.864 7.195 0.959 1.00 0.00 C ATOM 0 H THR A 21 -16.214 4.538 -1.958 1.00 0.00 H new ATOM 0 HA THR A 21 -14.875 7.000 -1.588 1.00 0.00 H new ATOM 0 HB THR A 21 -16.159 5.145 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.091 6.407 -0.080 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.680 7.216 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.926 6.995 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.801 8.159 0.454 1.00 0.00 H new ATOM 358 N VAL A 22 -13.357 4.375 -0.402 1.00 0.00 N ATOM 359 CA VAL A 22 -12.143 3.868 0.184 1.00 0.00 C ATOM 360 C VAL A 22 -10.952 4.208 -0.704 1.00 0.00 C ATOM 361 O VAL A 22 -9.963 4.760 -0.228 1.00 0.00 O ATOM 362 CB VAL A 22 -12.208 2.330 0.387 1.00 0.00 C ATOM 363 CG1 VAL A 22 -10.913 1.801 0.982 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.392 1.943 1.261 1.00 0.00 C ATOM 0 H VAL A 22 -13.968 3.650 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.026 4.340 1.160 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.344 1.874 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.987 0.721 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.085 2.029 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.737 2.273 1.949 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -13.413 0.860 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.295 2.420 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.317 2.271 0.787 1.00 0.00 H new ATOM 374 N ARG A 23 -11.078 3.932 -2.009 1.00 0.00 N ATOM 375 CA ARG A 23 -9.971 4.149 -2.948 1.00 0.00 C ATOM 376 C ARG A 23 -9.605 5.632 -3.032 1.00 0.00 C ATOM 377 O ARG A 23 -8.446 5.977 -3.236 1.00 0.00 O ATOM 378 CB ARG A 23 -10.263 3.555 -4.348 1.00 0.00 C ATOM 379 CG ARG A 23 -11.293 4.317 -5.156 1.00 0.00 C ATOM 380 CD ARG A 23 -11.613 3.639 -6.471 1.00 0.00 C ATOM 381 NE ARG A 23 -12.497 4.477 -7.282 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.457 4.049 -8.109 1.00 0.00 C ATOM 383 NH1 ARG A 23 -13.766 2.767 -8.185 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.128 4.928 -8.828 1.00 0.00 N ATOM 0 H ARG A 23 -11.928 3.561 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.108 3.611 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.332 3.518 -4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.604 2.527 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.207 4.418 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.925 5.325 -5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.691 3.439 -7.017 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.088 2.676 -6.284 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.368 5.486 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.270 2.088 -7.608 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.501 2.456 -8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.912 5.922 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.862 4.614 -9.462 1.00 0.00 H new ATOM 398 N GLU A 24 -10.598 6.496 -2.834 1.00 0.00 N ATOM 399 CA GLU A 24 -10.378 7.936 -2.822 1.00 0.00 C ATOM 400 C GLU A 24 -9.476 8.308 -1.657 1.00 0.00 C ATOM 401 O GLU A 24 -8.487 9.018 -1.825 1.00 0.00 O ATOM 402 CB GLU A 24 -11.691 8.681 -2.677 1.00 0.00 C ATOM 403 CG GLU A 24 -12.696 8.435 -3.780 1.00 0.00 C ATOM 404 CD GLU A 24 -13.951 9.217 -3.548 1.00 0.00 C ATOM 405 OE1 GLU A 24 -14.716 8.875 -2.626 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.194 10.220 -4.262 1.00 0.00 O ATOM 0 H GLU A 24 -11.567 6.219 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.910 8.215 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.145 8.404 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.481 9.750 -2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.262 8.714 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.930 7.372 -3.832 1.00 0.00 H new ATOM 413 N GLN A 25 -9.810 7.789 -0.475 1.00 0.00 N ATOM 414 CA GLN A 25 -9.041 8.056 0.735 1.00 0.00 C ATOM 415 C GLN A 25 -7.623 7.525 0.598 1.00 0.00 C ATOM 416 O GLN A 25 -6.664 8.139 1.082 1.00 0.00 O ATOM 417 CB GLN A 25 -9.697 7.431 1.959 1.00 0.00 C ATOM 418 CG GLN A 25 -11.075 7.963 2.285 1.00 0.00 C ATOM 419 CD GLN A 25 -11.611 7.380 3.574 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.370 7.906 4.665 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.359 6.325 3.470 1.00 0.00 N ATOM 0 H GLN A 25 -10.614 7.178 -0.332 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.012 9.137 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.766 6.354 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.049 7.589 2.821 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.036 9.049 2.366 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.758 7.729 1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.538 5.915 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.768 5.905 4.305 1.00 0.00 H new ATOM 430 N LEU A 26 -7.499 6.404 -0.086 1.00 0.00 N ATOM 431 CA LEU A 26 -6.212 5.789 -0.334 1.00 0.00 C ATOM 432 C LEU A 26 -5.338 6.712 -1.159 1.00 0.00 C ATOM 433 O LEU A 26 -4.169 6.852 -0.882 1.00 0.00 O ATOM 434 CB LEU A 26 -6.369 4.438 -1.035 1.00 0.00 C ATOM 435 CG LEU A 26 -7.154 3.367 -0.272 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.244 2.097 -1.089 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.516 3.083 1.081 1.00 0.00 C ATOM 0 H LEU A 26 -8.288 5.895 -0.485 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.732 5.614 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.860 4.605 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.375 4.046 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.162 3.745 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.805 1.346 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.752 2.305 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.240 1.724 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.093 2.319 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.495 2.730 0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.503 3.996 1.676 1.00 0.00 H new ATOM 449 N LYS A 27 -5.940 7.392 -2.131 1.00 0.00 N ATOM 450 CA LYS A 27 -5.214 8.333 -2.988 1.00 0.00 C ATOM 451 C LYS A 27 -4.689 9.529 -2.195 1.00 0.00 C ATOM 452 O LYS A 27 -3.689 10.136 -2.572 1.00 0.00 O ATOM 453 CB LYS A 27 -6.077 8.811 -4.154 1.00 0.00 C ATOM 454 CG LYS A 27 -6.468 7.709 -5.127 1.00 0.00 C ATOM 455 CD LYS A 27 -7.320 8.235 -6.273 1.00 0.00 C ATOM 456 CE LYS A 27 -6.579 9.281 -7.096 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.362 9.733 -8.253 1.00 0.00 N ATOM 0 H LYS A 27 -6.933 7.310 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.359 7.792 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.983 9.270 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.538 9.587 -4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.568 7.244 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.017 6.933 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.613 7.406 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.237 8.669 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.341 10.136 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.632 8.866 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.727 10.164 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.850 8.920 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.064 10.435 -7.944 1.00 0.00 H new ATOM 471 N LYS A 28 -5.366 9.860 -1.105 1.00 0.00 N ATOM 472 CA LYS A 28 -4.924 10.942 -0.221 1.00 0.00 C ATOM 473 C LYS A 28 -3.632 10.536 0.482 1.00 0.00 C ATOM 474 O LYS A 28 -2.677 11.307 0.569 1.00 0.00 O ATOM 475 CB LYS A 28 -6.009 11.295 0.829 1.00 0.00 C ATOM 476 CG LYS A 28 -7.119 12.319 0.436 1.00 0.00 C ATOM 477 CD LYS A 28 -7.982 11.942 -0.780 1.00 0.00 C ATOM 478 CE LYS A 28 -7.294 12.223 -2.121 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.954 13.655 -2.307 1.00 0.00 N ATOM 0 H LYS A 28 -6.225 9.398 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.748 11.828 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.502 10.368 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.502 11.679 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.776 12.460 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.645 13.280 0.237 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.234 10.883 -0.724 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.920 12.496 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.384 11.627 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.947 11.901 -2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.781 13.843 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.744 14.245 -1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.099 13.883 -1.761 1.00 0.00 H new ATOM 493 N LYS A 29 -3.588 9.310 0.928 1.00 0.00 N ATOM 494 CA LYS A 29 -2.422 8.806 1.633 1.00 0.00 C ATOM 495 C LYS A 29 -1.292 8.516 0.689 1.00 0.00 C ATOM 496 O LYS A 29 -0.137 8.593 1.049 1.00 0.00 O ATOM 497 CB LYS A 29 -2.762 7.596 2.520 1.00 0.00 C ATOM 498 CG LYS A 29 -3.354 7.992 3.871 1.00 0.00 C ATOM 499 CD LYS A 29 -4.611 8.826 3.725 1.00 0.00 C ATOM 500 CE LYS A 29 -4.968 9.512 5.011 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.865 10.379 5.488 1.00 0.00 N ATOM 0 H LYS A 29 -4.344 8.634 0.820 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.084 9.596 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.469 6.955 1.994 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.859 7.008 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.582 7.093 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.612 8.553 4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.466 9.571 2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.437 8.189 3.410 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.867 10.111 4.868 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.200 8.766 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.261 11.239 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.302 9.866 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.257 10.641 4.686 1.00 0.00 H new ATOM 515 N LEU A 30 -1.635 8.226 -0.523 1.00 0.00 N ATOM 516 CA LEU A 30 -0.651 7.972 -1.544 1.00 0.00 C ATOM 517 C LEU A 30 -0.009 9.266 -2.020 1.00 0.00 C ATOM 518 O LEU A 30 1.187 9.315 -2.245 1.00 0.00 O ATOM 519 CB LEU A 30 -1.236 7.183 -2.715 1.00 0.00 C ATOM 520 CG LEU A 30 -1.688 5.750 -2.407 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.336 5.122 -3.628 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.516 4.899 -1.934 1.00 0.00 C ATOM 0 H LEU A 30 -2.602 8.157 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 30 0.127 7.354 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.090 7.735 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.490 7.144 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.424 5.794 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.650 4.106 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.205 5.711 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.619 5.098 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.863 3.888 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.247 4.866 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.092 5.334 -1.029 1.00 0.00 H new ATOM 534 N VAL A 31 -0.786 10.334 -2.101 1.00 0.00 N ATOM 535 CA VAL A 31 -0.253 11.599 -2.589 1.00 0.00 C ATOM 536 C VAL A 31 0.736 12.202 -1.588 1.00 0.00 C ATOM 537 O VAL A 31 1.644 12.935 -1.968 1.00 0.00 O ATOM 538 CB VAL A 31 -1.371 12.633 -2.972 1.00 0.00 C ATOM 539 CG1 VAL A 31 -2.083 13.216 -1.766 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.835 13.731 -3.875 1.00 0.00 C ATOM 0 H VAL A 31 -1.772 10.354 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 31 0.282 11.371 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.119 12.070 -3.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.843 13.923 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.556 12.414 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.362 13.731 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.638 14.427 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.035 14.265 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.447 13.290 -4.793 1.00 0.00 H new ATOM 550 N GLU A 32 0.601 11.851 -0.318 1.00 0.00 N ATOM 551 CA GLU A 32 1.499 12.378 0.674 1.00 0.00 C ATOM 552 C GLU A 32 2.689 11.434 0.821 1.00 0.00 C ATOM 553 O GLU A 32 3.817 11.851 1.117 1.00 0.00 O ATOM 554 CB GLU A 32 0.772 12.587 2.022 1.00 0.00 C ATOM 555 CG GLU A 32 0.162 11.322 2.604 1.00 0.00 C ATOM 556 CD GLU A 32 -0.542 11.537 3.922 1.00 0.00 C ATOM 557 OE1 GLU A 32 0.143 11.683 4.960 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.785 11.510 3.970 1.00 0.00 O ATOM 0 H GLU A 32 -0.112 11.214 0.037 1.00 0.00 H new ATOM 0 HA GLU A 32 1.861 13.355 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.478 13.001 2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.016 13.328 1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.547 10.908 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.948 10.579 2.739 1.00 0.00 H new ATOM 565 N VAL A 33 2.443 10.176 0.514 1.00 0.00 N ATOM 566 CA VAL A 33 3.417 9.136 0.701 1.00 0.00 C ATOM 567 C VAL A 33 4.469 9.174 -0.405 1.00 0.00 C ATOM 568 O VAL A 33 5.623 8.884 -0.170 1.00 0.00 O ATOM 569 CB VAL A 33 2.733 7.737 0.789 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.574 7.029 -0.549 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.415 6.882 1.776 1.00 0.00 C ATOM 0 H VAL A 33 1.557 9.852 0.127 1.00 0.00 H new ATOM 0 HA VAL A 33 3.925 9.312 1.649 1.00 0.00 H new ATOM 0 HB VAL A 33 1.715 7.927 1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.090 6.065 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.963 7.640 -1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.555 6.875 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.921 5.912 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.456 6.746 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.374 7.355 2.757 1.00 0.00 H new ATOM 581 N LEU A 34 4.064 9.614 -1.592 1.00 0.00 N ATOM 582 CA LEU A 34 4.969 9.694 -2.744 1.00 0.00 C ATOM 583 C LEU A 34 6.018 10.778 -2.563 1.00 0.00 C ATOM 584 O LEU A 34 6.904 10.939 -3.396 1.00 0.00 O ATOM 585 CB LEU A 34 4.194 9.886 -4.057 1.00 0.00 C ATOM 586 CG LEU A 34 3.246 8.747 -4.459 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.463 9.113 -5.695 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.017 7.479 -4.719 1.00 0.00 C ATOM 0 H LEU A 34 3.112 9.923 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 34 5.493 8.740 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.612 10.805 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.915 10.032 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 34 2.555 8.585 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.798 8.291 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.873 10.009 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.151 9.304 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.326 6.685 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.730 7.646 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.554 7.188 -3.816 1.00 0.00 H new ATOM 600 N GLU A 35 5.887 11.534 -1.500 1.00 0.00 N ATOM 601 CA GLU A 35 6.867 12.509 -1.144 1.00 0.00 C ATOM 602 C GLU A 35 7.643 12.026 0.092 1.00 0.00 C ATOM 603 O GLU A 35 8.869 12.103 0.131 1.00 0.00 O ATOM 604 CB GLU A 35 6.208 13.878 -0.918 1.00 0.00 C ATOM 605 CG GLU A 35 7.175 15.013 -0.580 1.00 0.00 C ATOM 606 CD GLU A 35 8.277 15.193 -1.607 1.00 0.00 C ATOM 607 OE1 GLU A 35 8.024 15.793 -2.676 1.00 0.00 O ATOM 608 OE2 GLU A 35 9.424 14.757 -1.358 1.00 0.00 O ATOM 0 H GLU A 35 5.093 11.484 -0.862 1.00 0.00 H new ATOM 0 HA GLU A 35 7.578 12.632 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.652 14.150 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.483 13.786 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.614 15.944 -0.493 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.625 14.819 0.394 1.00 0.00 H new ATOM 615 N SER A 36 6.943 11.465 1.052 1.00 0.00 N ATOM 616 CA SER A 36 7.564 11.014 2.292 1.00 0.00 C ATOM 617 C SER A 36 6.910 9.706 2.774 1.00 0.00 C ATOM 618 O SER A 36 5.901 9.728 3.479 1.00 0.00 O ATOM 619 CB SER A 36 7.464 12.102 3.378 1.00 0.00 C ATOM 620 OG SER A 36 8.053 13.334 2.942 1.00 0.00 O ATOM 0 H SER A 36 5.937 11.306 1.004 1.00 0.00 H new ATOM 0 HA SER A 36 8.619 10.823 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.417 12.268 3.633 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.963 11.760 4.285 1.00 0.00 H new ATOM 0 HG SER A 36 7.972 14.004 3.652 1.00 0.00 H new ATOM 626 N PRO A 37 7.431 8.553 2.327 1.00 0.00 N ATOM 627 CA PRO A 37 6.882 7.244 2.677 1.00 0.00 C ATOM 628 C PRO A 37 7.536 6.566 3.897 1.00 0.00 C ATOM 629 O PRO A 37 7.269 5.401 4.186 1.00 0.00 O ATOM 630 CB PRO A 37 7.179 6.445 1.417 1.00 0.00 C ATOM 631 CG PRO A 37 8.487 6.980 0.938 1.00 0.00 C ATOM 632 CD PRO A 37 8.534 8.431 1.350 1.00 0.00 C ATOM 0 HA PRO A 37 5.834 7.317 2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.240 5.377 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.397 6.578 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.317 6.425 1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.574 6.881 -0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.494 8.690 1.796 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.389 9.094 0.497 1.00 0.00 H new ATOM 640 N ARG A 38 8.369 7.264 4.624 1.00 0.00 N ATOM 641 CA ARG A 38 9.047 6.607 5.717 1.00 0.00 C ATOM 642 C ARG A 38 8.426 6.946 7.045 1.00 0.00 C ATOM 643 O ARG A 38 8.800 7.927 7.697 1.00 0.00 O ATOM 644 CB ARG A 38 10.544 6.874 5.729 1.00 0.00 C ATOM 645 CG ARG A 38 11.252 6.477 4.457 1.00 0.00 C ATOM 646 CD ARG A 38 12.745 6.641 4.593 1.00 0.00 C ATOM 647 NE ARG A 38 13.159 8.021 4.896 1.00 0.00 N ATOM 648 CZ ARG A 38 14.441 8.401 5.022 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.410 7.512 4.831 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.747 9.665 5.320 1.00 0.00 N ATOM 0 H ARG A 38 8.591 8.251 4.490 1.00 0.00 H new ATOM 0 HA ARG A 38 8.919 5.537 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.711 7.936 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.991 6.335 6.564 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.017 5.440 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.890 7.087 3.630 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.105 5.981 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.223 6.322 3.667 1.00 0.00 H new ATOM 0 HE ARG A 38 12.433 8.727 5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.178 6.548 4.590 1.00 0.00 H new ATOM 0 HH12 ARG A 38 16.386 7.793 4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.005 10.351 5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.723 9.945 5.414 1.00 0.00 H new ATOM 664 N ILE A 39 7.441 6.180 7.420 1.00 0.00 N ATOM 665 CA ILE A 39 6.797 6.360 8.703 1.00 0.00 C ATOM 666 C ILE A 39 7.159 5.193 9.613 1.00 0.00 C ATOM 667 O ILE A 39 6.651 4.087 9.456 1.00 0.00 O ATOM 668 CB ILE A 39 5.248 6.480 8.583 1.00 0.00 C ATOM 669 CG1 ILE A 39 4.888 7.579 7.575 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.658 6.821 9.954 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.418 7.692 7.238 1.00 0.00 C ATOM 0 H ILE A 39 7.060 5.420 6.857 1.00 0.00 H new ATOM 0 HA ILE A 39 7.156 7.298 9.126 1.00 0.00 H new ATOM 0 HB ILE A 39 4.837 5.532 8.236 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.228 8.536 7.970 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.442 7.399 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.574 6.906 9.873 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.908 6.033 10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.071 7.768 10.302 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.271 8.497 6.518 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.070 6.753 6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.852 7.907 8.145 1.00 0.00 H new ATOM 683 N GLU A 40 8.026 5.458 10.574 1.00 0.00 N ATOM 684 CA GLU A 40 8.547 4.438 11.511 1.00 0.00 C ATOM 685 C GLU A 40 7.435 3.879 12.402 1.00 0.00 C ATOM 686 O GLU A 40 7.520 2.763 12.913 1.00 0.00 O ATOM 687 CB GLU A 40 9.695 5.018 12.376 1.00 0.00 C ATOM 688 CG GLU A 40 9.294 6.080 13.415 1.00 0.00 C ATOM 689 CD GLU A 40 8.678 7.327 12.825 1.00 0.00 C ATOM 690 OE1 GLU A 40 9.416 8.252 12.449 1.00 0.00 O ATOM 691 OE2 GLU A 40 7.434 7.398 12.723 1.00 0.00 O ATOM 0 H GLU A 40 8.401 6.392 10.740 1.00 0.00 H new ATOM 0 HA GLU A 40 8.944 3.617 10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.180 4.194 12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.439 5.455 11.710 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.587 5.636 14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.177 6.362 13.988 1.00 0.00 H new ATOM 698 N ALA A 41 6.402 4.657 12.567 1.00 0.00 N ATOM 699 CA ALA A 41 5.253 4.257 13.345 1.00 0.00 C ATOM 700 C ALA A 41 4.393 3.261 12.574 1.00 0.00 C ATOM 701 O ALA A 41 3.586 2.540 13.156 1.00 0.00 O ATOM 702 CB ALA A 41 4.433 5.475 13.743 1.00 0.00 C ATOM 0 H ALA A 41 6.329 5.592 12.165 1.00 0.00 H new ATOM 0 HA ALA A 41 5.609 3.766 14.251 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.570 5.157 14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.048 6.149 14.339 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.092 5.993 12.847 1.00 0.00 H new ATOM 708 N ASN A 42 4.584 3.198 11.261 1.00 0.00 N ATOM 709 CA ASN A 42 3.787 2.304 10.420 1.00 0.00 C ATOM 710 C ASN A 42 4.620 1.156 9.933 1.00 0.00 C ATOM 711 O ASN A 42 4.193 0.425 9.041 1.00 0.00 O ATOM 712 CB ASN A 42 3.216 3.015 9.178 1.00 0.00 C ATOM 713 CG ASN A 42 2.324 4.209 9.446 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.214 5.091 8.618 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.694 4.271 10.581 1.00 0.00 N ATOM 0 H ASN A 42 5.278 3.750 10.756 1.00 0.00 H new ATOM 0 HA ASN A 42 2.965 1.958 11.047 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.049 3.342 8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.650 2.288 8.596 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.095 5.070 10.789 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.799 3.521 11.264 1.00 0.00 H new ATOM 722 N LYS A 43 5.812 0.995 10.495 1.00 0.00 N ATOM 723 CA LYS A 43 6.709 -0.065 10.060 1.00 0.00 C ATOM 724 C LYS A 43 6.086 -1.424 10.322 1.00 0.00 C ATOM 725 O LYS A 43 5.470 -1.653 11.377 1.00 0.00 O ATOM 726 CB LYS A 43 8.096 0.057 10.704 1.00 0.00 C ATOM 727 CG LYS A 43 8.126 -0.148 12.204 1.00 0.00 C ATOM 728 CD LYS A 43 9.542 -0.062 12.728 1.00 0.00 C ATOM 729 CE LYS A 43 9.577 -0.170 14.237 1.00 0.00 C ATOM 730 NZ LYS A 43 8.909 0.975 14.891 1.00 0.00 N ATOM 0 H LYS A 43 6.176 1.580 11.247 1.00 0.00 H new ATOM 0 HA LYS A 43 6.857 0.040 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.761 -0.671 10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.499 1.045 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.506 0.605 12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.700 -1.120 12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.143 -0.859 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.990 0.882 12.418 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.092 -1.096 14.545 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.613 -0.225 14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.576 1.444 15.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.593 1.652 14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.087 0.636 15.430 1.00 0.00 H new ATOM 744 N LEU A 44 6.212 -2.295 9.372 1.00 0.00 N ATOM 745 CA LEU A 44 5.579 -3.569 9.439 1.00 0.00 C ATOM 746 C LEU A 44 6.401 -4.517 10.327 1.00 0.00 C ATOM 747 O LEU A 44 7.619 -4.341 10.486 1.00 0.00 O ATOM 748 CB LEU A 44 5.400 -4.114 8.024 1.00 0.00 C ATOM 749 CG LEU A 44 4.328 -5.178 7.824 1.00 0.00 C ATOM 750 CD1 LEU A 44 2.968 -4.611 8.195 1.00 0.00 C ATOM 751 CD2 LEU A 44 4.321 -5.653 6.378 1.00 0.00 C ATOM 0 H LEU A 44 6.759 -2.140 8.525 1.00 0.00 H new ATOM 0 HA LEU A 44 4.592 -3.478 9.893 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.173 -3.276 7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.354 -4.528 7.697 1.00 0.00 H new ATOM 0 HG LEU A 44 4.548 -6.029 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.204 -5.375 8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.977 -4.299 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.747 -3.752 7.561 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.551 -6.413 6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.113 -4.810 5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.294 -6.077 6.129 1.00 0.00 H new ATOM 763 N ARG A 45 5.739 -5.513 10.881 1.00 0.00 N ATOM 764 CA ARG A 45 6.332 -6.431 11.858 1.00 0.00 C ATOM 765 C ARG A 45 7.282 -7.446 11.203 1.00 0.00 C ATOM 766 O ARG A 45 6.910 -8.584 10.946 1.00 0.00 O ATOM 767 CB ARG A 45 5.206 -7.141 12.632 1.00 0.00 C ATOM 768 CG ARG A 45 5.638 -7.976 13.831 1.00 0.00 C ATOM 769 CD ARG A 45 4.415 -8.579 14.516 1.00 0.00 C ATOM 770 NE ARG A 45 4.723 -9.177 15.823 1.00 0.00 N ATOM 771 CZ ARG A 45 3.801 -9.656 16.688 1.00 0.00 C ATOM 772 NH1 ARG A 45 2.503 -9.621 16.364 1.00 0.00 N ATOM 773 NH2 ARG A 45 4.182 -10.147 17.872 1.00 0.00 N ATOM 0 H ARG A 45 4.762 -5.718 10.669 1.00 0.00 H new ATOM 0 HA ARG A 45 6.940 -5.849 12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.499 -6.387 12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.669 -7.789 11.939 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.312 -8.769 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.191 -7.356 14.536 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.660 -7.804 14.647 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.981 -9.340 13.868 1.00 0.00 H new ATOM 0 HE ARG A 45 5.704 -9.235 16.097 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.212 -9.234 15.466 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.805 -9.982 17.015 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.170 -10.161 18.124 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.484 -10.508 18.523 1.00 0.00 H new ATOM 787 N GLY A 46 8.487 -7.012 10.914 1.00 0.00 N ATOM 788 CA GLY A 46 9.472 -7.880 10.300 1.00 0.00 C ATOM 789 C GLY A 46 9.853 -7.424 8.908 1.00 0.00 C ATOM 790 O GLY A 46 10.650 -8.076 8.224 1.00 0.00 O ATOM 0 H GLY A 46 8.812 -6.062 11.094 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.364 -7.913 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.078 -8.895 10.252 1.00 0.00 H new ATOM 794 N MET A 47 9.290 -6.309 8.487 1.00 0.00 N ATOM 795 CA MET A 47 9.560 -5.750 7.170 1.00 0.00 C ATOM 796 C MET A 47 9.827 -4.253 7.301 1.00 0.00 C ATOM 797 O MET A 47 8.898 -3.473 7.488 1.00 0.00 O ATOM 798 CB MET A 47 8.386 -6.001 6.212 1.00 0.00 C ATOM 799 CG MET A 47 8.158 -7.453 5.831 1.00 0.00 C ATOM 800 SD MET A 47 9.527 -8.161 4.900 1.00 0.00 S ATOM 801 CE MET A 47 8.921 -9.828 4.646 1.00 0.00 C ATOM 0 H MET A 47 8.633 -5.763 9.044 1.00 0.00 H new ATOM 0 HA MET A 47 10.439 -6.242 6.754 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.475 -5.616 6.671 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.552 -5.425 5.301 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.000 -8.040 6.736 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.246 -7.528 5.239 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.755 -10.484 4.395 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.441 -10.184 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 47 8.198 -9.832 3.830 1.00 0.00 H new ATOM 811 N PRO A 48 11.107 -3.843 7.260 1.00 0.00 N ATOM 812 CA PRO A 48 11.517 -2.437 7.451 1.00 0.00 C ATOM 813 C PRO A 48 11.080 -1.482 6.324 1.00 0.00 C ATOM 814 O PRO A 48 10.838 -0.295 6.572 1.00 0.00 O ATOM 815 CB PRO A 48 13.053 -2.510 7.510 1.00 0.00 C ATOM 816 CG PRO A 48 13.369 -3.947 7.734 1.00 0.00 C ATOM 817 CD PRO A 48 12.278 -4.713 7.060 1.00 0.00 C ATOM 0 HA PRO A 48 11.044 -2.026 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.500 -2.149 6.584 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.446 -1.890 8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.343 -4.203 7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.409 -4.177 8.799 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.488 -4.873 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.135 -5.696 7.509 1.00 0.00 H new ATOM 825 N ASP A 49 10.975 -1.986 5.100 1.00 0.00 N ATOM 826 CA ASP A 49 10.611 -1.128 3.954 1.00 0.00 C ATOM 827 C ASP A 49 9.136 -1.201 3.671 1.00 0.00 C ATOM 828 O ASP A 49 8.631 -0.522 2.771 1.00 0.00 O ATOM 829 CB ASP A 49 11.373 -1.487 2.660 1.00 0.00 C ATOM 830 CG ASP A 49 12.859 -1.243 2.715 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.314 -0.091 2.483 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.617 -2.205 2.950 1.00 0.00 O ATOM 0 H ASP A 49 11.132 -2.966 4.867 1.00 0.00 H new ATOM 0 HA ASP A 49 10.894 -0.117 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.200 -2.539 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.954 -0.909 1.836 1.00 0.00 H new ATOM 837 N CYS A 50 8.447 -2.016 4.413 1.00 0.00 N ATOM 838 CA CYS A 50 7.038 -2.170 4.227 1.00 0.00 C ATOM 839 C CYS A 50 6.312 -1.428 5.322 1.00 0.00 C ATOM 840 O CYS A 50 6.669 -1.540 6.500 1.00 0.00 O ATOM 841 CB CYS A 50 6.658 -3.643 4.229 1.00 0.00 C ATOM 842 SG CYS A 50 7.582 -4.641 3.031 1.00 0.00 S ATOM 0 H CYS A 50 8.843 -2.588 5.158 1.00 0.00 H new ATOM 0 HA CYS A 50 6.751 -1.754 3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.821 -4.049 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.593 -3.734 4.018 1.00 0.00 H new ATOM 0 HG CYS A 50 7.352 -5.902 3.248 1.00 0.00 H new ATOM 848 N TYR A 51 5.337 -0.652 4.946 1.00 0.00 N ATOM 849 CA TYR A 51 4.594 0.134 5.891 1.00 0.00 C ATOM 850 C TYR A 51 3.120 -0.098 5.684 1.00 0.00 C ATOM 851 O TYR A 51 2.683 -0.453 4.572 1.00 0.00 O ATOM 852 CB TYR A 51 4.942 1.627 5.767 1.00 0.00 C ATOM 853 CG TYR A 51 6.420 1.911 5.927 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.007 1.909 7.173 1.00 0.00 C ATOM 855 CD2 TYR A 51 7.227 2.135 4.826 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.359 2.130 7.326 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.583 2.348 4.968 1.00 0.00 C ATOM 858 CZ TYR A 51 9.141 2.348 6.218 1.00 0.00 C ATOM 859 OH TYR A 51 10.501 2.536 6.364 1.00 0.00 O ATOM 0 H TYR A 51 5.034 -0.545 3.978 1.00 0.00 H new ATOM 0 HA TYR A 51 4.865 -0.176 6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.612 1.990 4.794 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.388 2.186 6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.397 1.731 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.789 2.143 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.801 2.132 8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.201 2.514 4.098 1.00 0.00 H new ATOM 0 HH TYR A 51 10.944 1.666 6.452 1.00 0.00 H new ATOM 869 N LYS A 52 2.367 0.086 6.729 1.00 0.00 N ATOM 870 CA LYS A 52 0.951 -0.160 6.718 1.00 0.00 C ATOM 871 C LYS A 52 0.161 1.112 6.997 1.00 0.00 C ATOM 872 O LYS A 52 0.528 1.910 7.850 1.00 0.00 O ATOM 873 CB LYS A 52 0.605 -1.323 7.701 1.00 0.00 C ATOM 874 CG LYS A 52 1.222 -1.215 9.123 1.00 0.00 C ATOM 875 CD LYS A 52 0.493 -0.237 10.047 1.00 0.00 C ATOM 876 CE LYS A 52 -0.827 -0.810 10.553 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.627 -1.907 11.535 1.00 0.00 N ATOM 0 H LYS A 52 2.722 0.416 7.626 1.00 0.00 H new ATOM 0 HA LYS A 52 0.653 -0.478 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.479 -1.379 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.934 -2.261 7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.221 -2.203 9.584 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.263 -0.906 9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.132 0.006 10.896 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.304 0.694 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.412 -0.015 11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.406 -1.183 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.277 -2.690 11.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.355 -2.247 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.819 -1.554 12.494 1.00 0.00 H new ATOM 891 N ILE A 53 -0.879 1.315 6.239 1.00 0.00 N ATOM 892 CA ILE A 53 -1.762 2.443 6.415 1.00 0.00 C ATOM 893 C ILE A 53 -3.174 1.897 6.491 1.00 0.00 C ATOM 894 O ILE A 53 -3.437 0.804 5.974 1.00 0.00 O ATOM 895 CB ILE A 53 -1.672 3.450 5.227 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.220 3.894 4.995 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.553 4.662 5.506 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.042 4.852 3.827 1.00 0.00 C ATOM 0 H ILE A 53 -1.144 0.698 5.472 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.478 2.981 7.319 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.024 2.951 4.324 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.152 4.371 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.396 3.011 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.485 5.361 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.587 4.340 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.217 5.153 6.419 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.011 5.117 3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.381 4.373 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.628 5.754 4.003 1.00 0.00 H new ATOM 910 N LYS A 54 -4.065 2.611 7.130 1.00 0.00 N ATOM 911 CA LYS A 54 -5.424 2.188 7.260 1.00 0.00 C ATOM 912 C LYS A 54 -6.327 3.394 7.351 1.00 0.00 C ATOM 913 O LYS A 54 -5.860 4.515 7.567 1.00 0.00 O ATOM 914 CB LYS A 54 -5.561 1.345 8.513 1.00 0.00 C ATOM 915 CG LYS A 54 -5.170 2.095 9.769 1.00 0.00 C ATOM 916 CD LYS A 54 -5.096 1.191 10.959 1.00 0.00 C ATOM 917 CE LYS A 54 -6.446 0.559 11.309 1.00 0.00 C ATOM 918 NZ LYS A 54 -7.491 1.570 11.626 1.00 0.00 N ATOM 0 H LYS A 54 -3.861 3.506 7.575 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.711 1.598 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.592 1.004 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.938 0.456 8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.204 2.576 9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.894 2.887 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.370 0.402 10.765 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.731 1.756 11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.782 -0.055 10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.320 -0.107 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.271 1.113 12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.080 2.321 12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.853 1.984 10.743 1.00 0.00 H new ATOM 932 N LEU A 55 -7.591 3.174 7.186 1.00 0.00 N ATOM 933 CA LEU A 55 -8.550 4.214 7.349 1.00 0.00 C ATOM 934 C LEU A 55 -9.128 4.123 8.734 1.00 0.00 C ATOM 935 O LEU A 55 -8.889 3.136 9.464 1.00 0.00 O ATOM 936 CB LEU A 55 -9.674 4.174 6.284 1.00 0.00 C ATOM 937 CG LEU A 55 -9.276 4.480 4.825 1.00 0.00 C ATOM 938 CD1 LEU A 55 -8.403 5.721 4.734 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.624 3.295 4.139 1.00 0.00 C ATOM 0 H LEU A 55 -7.986 2.268 6.934 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.040 5.167 7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.128 3.183 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.445 4.886 6.580 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.202 4.683 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.142 5.906 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.947 6.578 5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.493 5.569 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.364 3.565 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.721 3.013 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.318 2.454 4.128 1.00 0.00 H new ATOM 951 N ARG A 56 -9.842 5.135 9.112 1.00 0.00 N ATOM 952 CA ARG A 56 -10.453 5.191 10.411 1.00 0.00 C ATOM 953 C ARG A 56 -11.949 4.896 10.288 1.00 0.00 C ATOM 954 O ARG A 56 -12.564 4.343 11.204 1.00 0.00 O ATOM 955 CB ARG A 56 -10.240 6.582 11.031 1.00 0.00 C ATOM 956 CG ARG A 56 -8.774 7.030 11.139 1.00 0.00 C ATOM 957 CD ARG A 56 -7.941 6.117 12.036 1.00 0.00 C ATOM 958 NE ARG A 56 -8.470 6.060 13.401 1.00 0.00 N ATOM 959 CZ ARG A 56 -7.764 5.783 14.502 1.00 0.00 C ATOM 960 NH1 ARG A 56 -6.453 5.564 14.437 1.00 0.00 N ATOM 961 NH2 ARG A 56 -8.376 5.749 15.668 1.00 0.00 N ATOM 0 H ARG A 56 -10.021 5.952 8.529 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.993 4.443 11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.785 7.315 10.436 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.680 6.590 12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.332 7.055 10.143 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.737 8.047 11.529 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.921 5.113 11.613 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.911 6.474 12.061 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.465 6.248 13.522 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.973 5.606 13.538 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.928 5.354 15.286 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.378 5.933 15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.848 5.539 16.515 1.00 0.00 H new ATOM 975 N SER A 57 -12.519 5.242 9.146 1.00 0.00 N ATOM 976 CA SER A 57 -13.935 5.087 8.916 1.00 0.00 C ATOM 977 C SER A 57 -14.336 3.657 8.493 1.00 0.00 C ATOM 978 O SER A 57 -14.971 2.922 9.262 1.00 0.00 O ATOM 979 CB SER A 57 -14.381 6.121 7.884 1.00 0.00 C ATOM 980 OG SER A 57 -13.498 6.114 6.759 1.00 0.00 O ATOM 0 H SER A 57 -12.009 5.637 8.356 1.00 0.00 H new ATOM 0 HA SER A 57 -14.449 5.257 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.398 5.904 7.558 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.397 7.113 8.336 1.00 0.00 H new ATOM 0 HG SER A 57 -13.796 6.780 6.105 1.00 0.00 H new ATOM 986 N SER A 58 -13.945 3.272 7.296 1.00 0.00 N ATOM 987 CA SER A 58 -14.338 2.006 6.714 1.00 0.00 C ATOM 988 C SER A 58 -13.540 0.803 7.244 1.00 0.00 C ATOM 989 O SER A 58 -13.978 -0.349 7.127 1.00 0.00 O ATOM 990 CB SER A 58 -14.244 2.126 5.204 1.00 0.00 C ATOM 991 OG SER A 58 -13.013 2.742 4.828 1.00 0.00 O ATOM 0 H SER A 58 -13.341 3.833 6.695 1.00 0.00 H new ATOM 0 HA SER A 58 -15.366 1.800 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.317 1.138 4.749 1.00 0.00 H new ATOM 0 HB3 SER A 58 -15.081 2.713 4.827 1.00 0.00 H new ATOM 0 HG SER A 58 -12.415 2.069 4.442 1.00 0.00 H new ATOM 997 N GLY A 59 -12.387 1.062 7.816 1.00 0.00 N ATOM 998 CA GLY A 59 -11.584 -0.018 8.355 1.00 0.00 C ATOM 999 C GLY A 59 -10.869 -0.811 7.278 1.00 0.00 C ATOM 1000 O GLY A 59 -10.612 -2.020 7.434 1.00 0.00 O ATOM 0 H GLY A 59 -11.986 1.994 7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.848 0.392 9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.223 -0.688 8.930 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.602 -0.164 6.172 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.812 -0.741 5.100 1.00 0.00 C ATOM 1006 C TYR A 60 -8.372 -0.334 5.287 1.00 0.00 C ATOM 1007 O TYR A 60 -8.063 0.411 6.221 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.336 -0.303 3.732 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.593 -1.019 3.298 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.785 -0.849 3.977 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.581 -1.869 2.203 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.928 -1.505 3.589 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.723 -2.528 1.803 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.893 -2.342 2.502 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.025 -3.011 2.125 1.00 0.00 O ATOM 0 H TYR A 60 -10.926 0.785 5.983 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.889 -1.828 5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.530 0.769 3.755 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.559 -0.470 2.986 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.818 -0.187 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.662 -2.017 1.655 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.848 -1.363 4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.700 -3.186 0.947 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.833 -3.561 1.337 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.499 -0.808 4.443 1.00 0.00 N ATOM 1026 CA ARG A 61 -6.098 -0.538 4.582 1.00 0.00 C ATOM 1027 C ARG A 61 -5.377 -0.697 3.259 1.00 0.00 C ATOM 1028 O ARG A 61 -5.954 -1.170 2.269 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.484 -1.481 5.620 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.575 -2.949 5.247 1.00 0.00 C ATOM 1031 CD ARG A 61 -4.973 -3.821 6.309 1.00 0.00 C ATOM 1032 NE ARG A 61 -5.670 -3.682 7.602 1.00 0.00 N ATOM 1033 CZ ARG A 61 -5.075 -3.640 8.803 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -3.758 -3.660 8.890 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -5.808 -3.552 9.911 1.00 0.00 N ATOM 0 H ARG A 61 -7.739 -1.391 3.641 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.984 0.494 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.436 -1.217 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.984 -1.328 6.576 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.619 -3.224 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.061 -3.118 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.011 -4.862 5.987 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.921 -3.564 6.435 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.687 -3.612 7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.192 -3.707 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.307 -3.628 9.804 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.825 -3.516 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.352 -3.520 10.823 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.126 -0.321 3.269 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.247 -0.414 2.142 1.00 0.00 C ATOM 1051 C LEU A 62 -1.857 -0.699 2.694 1.00 0.00 C ATOM 1052 O LEU A 62 -1.445 -0.100 3.689 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.318 0.903 1.313 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.455 1.030 0.035 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.021 2.119 -0.858 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.009 1.393 0.374 1.00 0.00 C ATOM 0 H LEU A 62 -3.677 0.073 4.096 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.528 -1.215 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.358 1.055 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.048 1.725 1.976 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.472 0.066 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.411 2.206 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.044 1.866 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.015 3.068 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.429 1.475 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.987 2.346 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.578 0.617 1.007 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.182 -1.639 2.099 1.00 0.00 N ATOM 1069 CA VAL A 63 0.133 -2.057 2.545 1.00 0.00 C ATOM 1070 C VAL A 63 1.088 -1.835 1.393 1.00 0.00 C ATOM 1071 O VAL A 63 0.788 -2.246 0.277 1.00 0.00 O ATOM 1072 CB VAL A 63 0.134 -3.571 2.903 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.401 -3.982 3.639 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -1.114 -3.962 3.679 1.00 0.00 C ATOM 0 H VAL A 63 -1.524 -2.147 1.283 1.00 0.00 H new ATOM 0 HA VAL A 63 0.423 -1.490 3.429 1.00 0.00 H new ATOM 0 HB VAL A 63 0.120 -4.121 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.359 -5.047 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.268 -3.781 3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.484 -3.414 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.079 -5.026 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.161 -3.389 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.998 -3.751 3.077 1.00 0.00 H new ATOM 1084 N TYR A 64 2.205 -1.202 1.632 1.00 0.00 N ATOM 1085 CA TYR A 64 3.123 -0.901 0.550 1.00 0.00 C ATOM 1086 C TYR A 64 4.561 -1.142 0.961 1.00 0.00 C ATOM 1087 O TYR A 64 4.846 -1.408 2.125 1.00 0.00 O ATOM 1088 CB TYR A 64 2.943 0.553 0.062 1.00 0.00 C ATOM 1089 CG TYR A 64 3.309 1.614 1.085 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.439 1.949 2.110 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.531 2.277 1.024 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.772 2.907 3.036 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.863 3.238 1.951 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.978 3.545 2.955 1.00 0.00 C ATOM 1095 OH TYR A 64 4.302 4.504 3.884 1.00 0.00 O ATOM 0 H TYR A 64 2.505 -0.885 2.554 1.00 0.00 H new ATOM 0 HA TYR A 64 2.888 -1.576 -0.273 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.553 0.701 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.904 0.697 -0.235 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.484 1.449 2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.229 2.033 0.237 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.081 3.156 3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.813 3.747 1.889 1.00 0.00 H new ATOM 0 HH TYR A 64 5.265 4.680 3.850 1.00 0.00 H new ATOM 1105 N GLN A 65 5.437 -1.042 0.009 1.00 0.00 N ATOM 1106 CA GLN A 65 6.841 -1.195 0.197 1.00 0.00 C ATOM 1107 C GLN A 65 7.539 -0.035 -0.493 1.00 0.00 C ATOM 1108 O GLN A 65 7.211 0.305 -1.641 1.00 0.00 O ATOM 1109 CB GLN A 65 7.296 -2.512 -0.419 1.00 0.00 C ATOM 1110 CG GLN A 65 8.787 -2.753 -0.341 1.00 0.00 C ATOM 1111 CD GLN A 65 9.193 -3.981 -1.099 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.252 -5.070 -0.555 1.00 0.00 O ATOM 1113 NE2 GLN A 65 9.444 -3.817 -2.362 1.00 0.00 N ATOM 0 H GLN A 65 5.180 -0.844 -0.958 1.00 0.00 H new ATOM 0 HA GLN A 65 7.085 -1.202 1.259 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.781 -3.331 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.990 -2.535 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.316 -1.888 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.085 -2.855 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.383 -2.888 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.702 -4.618 -2.939 1.00 0.00 H new ATOM 1122 N VAL A 66 8.459 0.572 0.193 1.00 0.00 N ATOM 1123 CA VAL A 66 9.211 1.680 -0.345 1.00 0.00 C ATOM 1124 C VAL A 66 10.445 1.132 -1.029 1.00 0.00 C ATOM 1125 O VAL A 66 11.257 0.447 -0.412 1.00 0.00 O ATOM 1126 CB VAL A 66 9.633 2.671 0.767 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.329 3.897 0.185 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.426 3.090 1.563 1.00 0.00 C ATOM 0 H VAL A 66 8.715 0.317 1.147 1.00 0.00 H new ATOM 0 HA VAL A 66 8.584 2.222 -1.053 1.00 0.00 H new ATOM 0 HB VAL A 66 10.342 2.164 1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.612 4.572 0.992 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.222 3.585 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.651 4.411 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.729 3.787 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.706 3.574 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.968 2.212 2.018 1.00 0.00 H new ATOM 1138 N ILE A 67 10.559 1.376 -2.299 1.00 0.00 N ATOM 1139 CA ILE A 67 11.675 0.888 -3.051 1.00 0.00 C ATOM 1140 C ILE A 67 12.558 2.056 -3.451 1.00 0.00 C ATOM 1141 O ILE A 67 12.143 2.915 -4.227 1.00 0.00 O ATOM 1142 CB ILE A 67 11.227 0.129 -4.327 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.163 -0.924 -3.991 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.428 -0.557 -4.959 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.670 -1.714 -5.193 1.00 0.00 C ATOM 0 H ILE A 67 9.885 1.916 -2.841 1.00 0.00 H new ATOM 0 HA ILE A 67 12.223 0.189 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 67 10.799 0.850 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.573 -1.618 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.313 -0.429 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.112 -1.090 -5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.175 0.190 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.858 -1.264 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.920 -2.437 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.228 -1.033 -5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.508 -2.240 -5.651 1.00 0.00 H new ATOM 1157 N ASP A 68 13.747 2.086 -2.904 1.00 0.00 N ATOM 1158 CA ASP A 68 14.737 3.123 -3.182 1.00 0.00 C ATOM 1159 C ASP A 68 15.335 2.943 -4.559 1.00 0.00 C ATOM 1160 O ASP A 68 15.475 3.898 -5.310 1.00 0.00 O ATOM 1161 CB ASP A 68 15.883 3.100 -2.154 1.00 0.00 C ATOM 1162 CG ASP A 68 15.483 3.515 -0.762 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.551 4.717 -0.451 1.00 0.00 O ATOM 1164 OD2 ASP A 68 15.129 2.643 0.062 1.00 0.00 O ATOM 0 H ASP A 68 14.070 1.383 -2.240 1.00 0.00 H new ATOM 0 HA ASP A 68 14.215 4.078 -3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.298 2.093 -2.114 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.679 3.759 -2.501 1.00 0.00 H new ATOM 1169 N GLU A 69 15.666 1.705 -4.900 1.00 0.00 N ATOM 1170 CA GLU A 69 16.329 1.395 -6.175 1.00 0.00 C ATOM 1171 C GLU A 69 15.467 1.737 -7.405 1.00 0.00 C ATOM 1172 O GLU A 69 15.986 2.123 -8.452 1.00 0.00 O ATOM 1173 CB GLU A 69 16.796 -0.072 -6.211 1.00 0.00 C ATOM 1174 CG GLU A 69 15.692 -1.080 -5.957 1.00 0.00 C ATOM 1175 CD GLU A 69 16.155 -2.509 -6.022 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.574 -3.065 -4.983 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.079 -3.110 -7.109 1.00 0.00 O ATOM 0 H GLU A 69 15.488 0.890 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 69 17.206 2.040 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.243 -0.276 -7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.579 -0.211 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.258 -0.892 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.899 -0.930 -6.690 1.00 0.00 H new ATOM 1184 N LYS A 70 14.167 1.613 -7.263 1.00 0.00 N ATOM 1185 CA LYS A 70 13.227 1.888 -8.352 1.00 0.00 C ATOM 1186 C LYS A 70 12.564 3.237 -8.156 1.00 0.00 C ATOM 1187 O LYS A 70 11.910 3.745 -9.059 1.00 0.00 O ATOM 1188 CB LYS A 70 12.161 0.806 -8.378 1.00 0.00 C ATOM 1189 CG LYS A 70 12.656 -0.565 -8.753 1.00 0.00 C ATOM 1190 CD LYS A 70 12.886 -0.691 -10.245 1.00 0.00 C ATOM 1191 CE LYS A 70 13.301 -2.101 -10.627 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.298 -3.109 -10.215 1.00 0.00 N ATOM 0 H LYS A 70 13.721 1.319 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 70 13.775 1.899 -9.294 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.696 0.751 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.383 1.100 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.585 -0.774 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.931 -1.313 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.975 -0.422 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.658 0.013 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.447 -2.156 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.260 -2.334 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.475 -4.001 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.369 -3.270 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.344 -2.765 -10.446 1.00 0.00 H new ATOM 1206 N VAL A 71 12.774 3.806 -6.973 1.00 0.00 N ATOM 1207 CA VAL A 71 12.170 5.074 -6.532 1.00 0.00 C ATOM 1208 C VAL A 71 10.660 5.003 -6.698 1.00 0.00 C ATOM 1209 O VAL A 71 10.076 5.711 -7.504 1.00 0.00 O ATOM 1210 CB VAL A 71 12.704 6.315 -7.297 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.379 7.589 -6.539 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.182 6.204 -7.551 1.00 0.00 C ATOM 0 H VAL A 71 13.385 3.392 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 71 12.447 5.200 -5.485 1.00 0.00 H new ATOM 0 HB VAL A 71 12.205 6.355 -8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.761 8.448 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.299 7.681 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.844 7.555 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.526 7.088 -8.088 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.710 6.129 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.383 5.315 -8.149 1.00 0.00 H new ATOM 1222 N VAL A 72 10.035 4.125 -5.973 1.00 0.00 N ATOM 1223 CA VAL A 72 8.629 3.908 -6.173 1.00 0.00 C ATOM 1224 C VAL A 72 7.967 3.357 -4.918 1.00 0.00 C ATOM 1225 O VAL A 72 8.601 2.659 -4.119 1.00 0.00 O ATOM 1226 CB VAL A 72 8.405 2.938 -7.386 1.00 0.00 C ATOM 1227 CG1 VAL A 72 8.993 1.564 -7.134 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.954 2.827 -7.762 1.00 0.00 C ATOM 0 H VAL A 72 10.466 3.553 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 72 8.164 4.869 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 72 8.936 3.381 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.814 0.927 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.066 1.653 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.523 1.122 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.848 2.145 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.386 2.445 -6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.574 3.810 -8.040 1.00 0.00 H new ATOM 1238 N VAL A 73 6.732 3.731 -4.723 1.00 0.00 N ATOM 1239 CA VAL A 73 5.912 3.200 -3.693 1.00 0.00 C ATOM 1240 C VAL A 73 5.130 2.067 -4.305 1.00 0.00 C ATOM 1241 O VAL A 73 4.171 2.283 -5.050 1.00 0.00 O ATOM 1242 CB VAL A 73 4.956 4.272 -3.120 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.017 3.689 -2.080 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.765 5.398 -2.521 1.00 0.00 C ATOM 0 H VAL A 73 6.265 4.433 -5.297 1.00 0.00 H new ATOM 0 HA VAL A 73 6.524 2.855 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 73 4.342 4.653 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.361 4.473 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.416 2.901 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.598 3.273 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.092 6.154 -2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.395 5.008 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.392 5.845 -3.292 1.00 0.00 H new ATOM 1254 N PHE A 74 5.588 0.885 -4.058 1.00 0.00 N ATOM 1255 CA PHE A 74 4.995 -0.286 -4.617 1.00 0.00 C ATOM 1256 C PHE A 74 3.978 -0.863 -3.661 1.00 0.00 C ATOM 1257 O PHE A 74 4.326 -1.460 -2.653 1.00 0.00 O ATOM 1258 CB PHE A 74 6.089 -1.302 -4.986 1.00 0.00 C ATOM 1259 CG PHE A 74 5.590 -2.646 -5.432 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.567 -2.758 -6.352 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.142 -3.800 -4.904 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.106 -3.990 -6.737 1.00 0.00 C ATOM 1263 CE2 PHE A 74 5.679 -5.036 -5.289 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.660 -5.129 -6.206 1.00 0.00 C ATOM 0 H PHE A 74 6.392 0.702 -3.457 1.00 0.00 H new ATOM 0 HA PHE A 74 4.465 -0.027 -5.534 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.703 -0.878 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.739 -1.442 -4.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.126 -1.866 -6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.943 -3.729 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.306 -4.065 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.115 -5.932 -4.872 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.294 -6.099 -6.510 1.00 0.00 H new ATOM 1274 N VAL A 75 2.734 -0.624 -3.957 1.00 0.00 N ATOM 1275 CA VAL A 75 1.648 -1.118 -3.164 1.00 0.00 C ATOM 1276 C VAL A 75 1.498 -2.614 -3.374 1.00 0.00 C ATOM 1277 O VAL A 75 1.286 -3.091 -4.497 1.00 0.00 O ATOM 1278 CB VAL A 75 0.327 -0.393 -3.487 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.794 -0.898 -2.593 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.494 1.114 -3.339 1.00 0.00 C ATOM 0 H VAL A 75 2.442 -0.074 -4.765 1.00 0.00 H new ATOM 0 HA VAL A 75 1.878 -0.920 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 75 0.062 -0.609 -4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.718 -0.374 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.931 -1.968 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.538 -0.715 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.449 1.609 -3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.785 1.349 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.266 1.464 -4.025 1.00 0.00 H new ATOM 1290 N ILE A 76 1.613 -3.323 -2.291 1.00 0.00 N ATOM 1291 CA ILE A 76 1.584 -4.754 -2.264 1.00 0.00 C ATOM 1292 C ILE A 76 0.147 -5.253 -2.296 1.00 0.00 C ATOM 1293 O ILE A 76 -0.214 -6.071 -3.138 1.00 0.00 O ATOM 1294 CB ILE A 76 2.257 -5.277 -0.964 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.685 -4.710 -0.803 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.271 -6.804 -0.923 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.647 -5.089 -1.908 1.00 0.00 C ATOM 0 H ILE A 76 1.734 -2.905 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 76 2.123 -5.122 -3.137 1.00 0.00 H new ATOM 0 HB ILE A 76 1.660 -4.924 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.625 -3.623 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.092 -5.054 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.748 -7.139 -0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.248 -7.178 -0.959 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.827 -7.186 -1.779 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.623 -4.646 -1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.743 -6.174 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.269 -4.721 -2.862 1.00 0.00 H new ATOM 1309 N SER A 77 -0.667 -4.759 -1.377 1.00 0.00 N ATOM 1310 CA SER A 77 -2.028 -5.211 -1.267 1.00 0.00 C ATOM 1311 C SER A 77 -2.927 -4.064 -0.833 1.00 0.00 C ATOM 1312 O SER A 77 -2.481 -3.132 -0.145 1.00 0.00 O ATOM 1313 CB SER A 77 -2.117 -6.376 -0.260 1.00 0.00 C ATOM 1314 OG SER A 77 -3.418 -6.955 -0.229 1.00 0.00 O ATOM 0 H SER A 77 -0.400 -4.044 -0.700 1.00 0.00 H new ATOM 0 HA SER A 77 -2.364 -5.565 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.386 -7.140 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.856 -6.016 0.735 1.00 0.00 H new ATOM 0 HG SER A 77 -3.893 -6.736 -1.057 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.166 -4.131 -1.253 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.173 -3.148 -0.934 1.00 0.00 C ATOM 1322 C VAL A 78 -6.423 -3.895 -0.461 1.00 0.00 C ATOM 1323 O VAL A 78 -6.794 -4.903 -1.049 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.563 -2.318 -2.198 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.580 -1.260 -1.857 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.352 -1.678 -2.849 1.00 0.00 C ATOM 0 H VAL A 78 -4.511 -4.890 -1.841 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.784 -2.474 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.002 -3.015 -2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.834 -0.697 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.478 -1.733 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.165 -0.584 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.667 -1.110 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.867 -1.009 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.650 -2.454 -3.154 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.037 -3.457 0.607 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.273 -4.078 1.011 1.00 0.00 C ATOM 1338 C GLY A 79 -8.360 -4.227 2.488 1.00 0.00 C ATOM 1339 O GLY A 79 -7.886 -3.386 3.218 1.00 0.00 O ATOM 0 H GLY A 79 -6.713 -2.693 1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.113 -3.481 0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.358 -5.058 0.541 1.00 0.00 H new ATOM 1343 N LYS A 80 -8.965 -5.279 2.936 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.073 -5.537 4.343 1.00 0.00 C ATOM 1345 C LYS A 80 -8.335 -6.785 4.705 1.00 0.00 C ATOM 1346 O LYS A 80 -8.658 -7.861 4.214 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.529 -5.688 4.798 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.351 -4.411 4.791 1.00 0.00 C ATOM 1349 CD LYS A 80 -12.801 -4.677 5.197 1.00 0.00 C ATOM 1350 CE LYS A 80 -12.929 -5.218 6.624 1.00 0.00 C ATOM 1351 NZ LYS A 80 -12.539 -4.218 7.648 1.00 0.00 N ATOM 0 H LYS A 80 -9.399 -5.985 2.342 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.638 -4.675 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.019 -6.418 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.535 -6.098 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.907 -3.687 5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.326 -3.966 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.373 -3.753 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.243 -5.391 4.502 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.958 -5.531 6.800 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.304 -6.105 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.932 -4.670 8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.019 -3.440 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.392 -3.842 8.108 1.00 0.00 H new ATOM 1715 N GLU B 54 -1.984 -8.077 13.248 1.00 0.00 N ATOM 1716 CA GLU B 54 -2.466 -7.860 11.882 1.00 0.00 C ATOM 1717 C GLU B 54 -1.267 -7.685 10.947 1.00 0.00 C ATOM 1718 O GLU B 54 -1.272 -8.116 9.795 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.341 -6.601 11.823 1.00 0.00 C ATOM 1720 CG GLU B 54 -2.660 -5.352 12.372 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.419 -4.097 12.087 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.558 -3.940 12.565 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.912 -3.267 11.317 1.00 0.00 O ATOM 0 HA GLU B 54 -3.059 -8.720 11.572 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.632 -6.420 10.788 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.258 -6.780 12.385 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -2.536 -5.457 13.450 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.662 -5.271 11.942 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.221 -7.078 11.491 1.00 0.00 N ATOM 1731 CA ASP B 55 1.006 -6.801 10.767 1.00 0.00 C ATOM 1732 C ASP B 55 1.719 -8.096 10.465 1.00 0.00 C ATOM 1733 O ASP B 55 2.463 -8.201 9.502 1.00 0.00 O ATOM 1734 CB ASP B 55 1.917 -5.879 11.587 1.00 0.00 C ATOM 1735 CG ASP B 55 1.273 -4.548 11.916 1.00 0.00 C ATOM 1736 OD1 ASP B 55 0.540 -4.469 12.907 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.488 -3.569 11.191 1.00 0.00 O ATOM 0 H ASP B 55 -0.203 -6.761 12.460 1.00 0.00 H new ATOM 0 HA ASP B 55 0.758 -6.298 9.832 1.00 0.00 H new ATOM 0 HB2 ASP B 55 2.193 -6.381 12.514 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.839 -5.703 11.033 1.00 0.00 H new ATOM 1742 N ALA B 56 1.449 -9.095 11.285 1.00 0.00 N ATOM 1743 CA ALA B 56 2.023 -10.417 11.109 1.00 0.00 C ATOM 1744 C ALA B 56 1.391 -11.111 9.902 1.00 0.00 C ATOM 1745 O ALA B 56 2.036 -11.917 9.226 1.00 0.00 O ATOM 1746 CB ALA B 56 1.852 -11.247 12.367 1.00 0.00 C ATOM 0 H ALA B 56 0.827 -9.014 12.090 1.00 0.00 H new ATOM 0 HA ALA B 56 3.092 -10.312 10.922 1.00 0.00 H new ATOM 0 HB1 ALA B 56 2.289 -12.234 12.214 1.00 0.00 H new ATOM 0 HB2 ALA B 56 2.353 -10.753 13.200 1.00 0.00 H new ATOM 0 HB3 ALA B 56 0.791 -11.351 12.593 1.00 0.00 H new ATOM 1752 N GLU B 57 0.136 -10.789 9.621 1.00 0.00 N ATOM 1753 CA GLU B 57 -0.513 -11.310 8.435 1.00 0.00 C ATOM 1754 C GLU B 57 0.032 -10.595 7.213 1.00 0.00 C ATOM 1755 O GLU B 57 0.344 -11.210 6.197 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.053 -11.196 8.507 1.00 0.00 C ATOM 1757 CG GLU B 57 -2.729 -11.531 7.179 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.222 -11.698 7.250 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -4.970 -10.698 7.183 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -4.667 -12.865 7.305 1.00 0.00 O ATOM 0 H GLU B 57 -0.444 -10.176 10.193 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.291 -12.375 8.365 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -2.428 -11.866 9.281 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -2.325 -10.183 8.804 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -2.500 -10.742 6.463 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -2.294 -12.451 6.789 1.00 0.00 H new ATOM 1767 N LEU B 58 0.203 -9.307 7.342 1.00 0.00 N ATOM 1768 CA LEU B 58 0.697 -8.500 6.253 1.00 0.00 C ATOM 1769 C LEU B 58 2.103 -8.905 5.817 1.00 0.00 C ATOM 1770 O LEU B 58 2.411 -8.848 4.633 1.00 0.00 O ATOM 1771 CB LEU B 58 0.640 -7.023 6.598 1.00 0.00 C ATOM 1772 CG LEU B 58 -0.748 -6.454 6.888 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -0.713 -4.957 7.114 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.760 -6.864 5.824 1.00 0.00 C ATOM 0 H LEU B 58 0.006 -8.788 8.198 1.00 0.00 H new ATOM 0 HA LEU B 58 0.038 -8.681 5.404 1.00 0.00 H new ATOM 0 HB2 LEU B 58 1.271 -6.850 7.470 1.00 0.00 H new ATOM 0 HB3 LEU B 58 1.076 -6.461 5.772 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.088 -6.895 7.825 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -1.721 -4.596 7.317 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -0.069 -4.732 7.965 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.323 -4.464 6.224 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.734 -6.440 6.066 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.435 -6.495 4.851 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.835 -7.951 5.793 1.00 0.00 H new ATOM 1786 N VAL B 59 2.946 -9.351 6.756 1.00 0.00 N ATOM 1787 CA VAL B 59 4.300 -9.761 6.389 1.00 0.00 C ATOM 1788 C VAL B 59 4.312 -11.044 5.575 1.00 0.00 C ATOM 1789 O VAL B 59 5.154 -11.212 4.692 1.00 0.00 O ATOM 1790 CB VAL B 59 5.298 -9.871 7.574 1.00 0.00 C ATOM 1791 CG1 VAL B 59 5.413 -8.559 8.292 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.954 -11.000 8.533 1.00 0.00 C ATOM 0 H VAL B 59 2.721 -9.435 7.747 1.00 0.00 H new ATOM 0 HA VAL B 59 4.658 -8.939 5.769 1.00 0.00 H new ATOM 0 HB VAL B 59 6.270 -10.120 7.149 1.00 0.00 H new ATOM 0 HG11 VAL B 59 6.117 -8.657 9.119 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.770 -7.796 7.600 1.00 0.00 H new ATOM 0 HG13 VAL B 59 4.436 -8.269 8.680 1.00 0.00 H new ATOM 0 HG21 VAL B 59 5.686 -11.028 9.340 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.961 -10.833 8.950 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.968 -11.949 7.998 1.00 0.00 H new ATOM 1802 N GLU B 60 3.361 -11.934 5.826 1.00 0.00 N ATOM 1803 CA GLU B 60 3.320 -13.160 5.073 1.00 0.00 C ATOM 1804 C GLU B 60 2.691 -12.931 3.703 1.00 0.00 C ATOM 1805 O GLU B 60 3.023 -13.616 2.734 1.00 0.00 O ATOM 1806 CB GLU B 60 2.664 -14.321 5.841 1.00 0.00 C ATOM 1807 CG GLU B 60 1.230 -14.095 6.256 1.00 0.00 C ATOM 1808 CD GLU B 60 0.661 -15.279 6.985 1.00 0.00 C ATOM 1809 OE1 GLU B 60 0.776 -15.344 8.221 1.00 0.00 O ATOM 1810 OE2 GLU B 60 0.098 -16.184 6.321 1.00 0.00 O ATOM 0 H GLU B 60 2.629 -11.827 6.528 1.00 0.00 H new ATOM 0 HA GLU B 60 4.352 -13.475 4.915 1.00 0.00 H new ATOM 0 HB2 GLU B 60 2.708 -15.216 5.220 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.255 -14.523 6.734 1.00 0.00 H new ATOM 0 HG2 GLU B 60 1.172 -13.214 6.895 1.00 0.00 H new ATOM 0 HG3 GLU B 60 0.625 -13.888 5.373 1.00 0.00 H new ATOM 1817 N ILE B 61 1.822 -11.935 3.613 1.00 0.00 N ATOM 1818 CA ILE B 61 1.203 -11.579 2.349 1.00 0.00 C ATOM 1819 C ILE B 61 2.216 -10.875 1.430 1.00 0.00 C ATOM 1820 O ILE B 61 2.258 -11.136 0.226 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.067 -10.688 2.545 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.129 -11.449 3.360 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -0.647 -10.259 1.194 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -2.398 -10.657 3.626 1.00 0.00 C ATOM 0 H ILE B 61 1.530 -11.359 4.403 1.00 0.00 H new ATOM 0 HA ILE B 61 0.880 -12.506 1.876 1.00 0.00 H new ATOM 0 HB ILE B 61 0.226 -9.792 3.092 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -1.390 -12.364 2.829 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -0.694 -11.747 4.314 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -1.529 -9.640 1.357 1.00 0.00 H new ATOM 0 HG22 ILE B 61 0.100 -9.688 0.642 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -0.925 -11.143 0.620 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.092 -11.266 4.205 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.153 -9.754 4.186 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -2.860 -10.382 2.678 1.00 0.00 H new ATOM 1836 N VAL B 62 3.054 -10.016 1.997 1.00 0.00 N ATOM 1837 CA VAL B 62 4.039 -9.297 1.194 1.00 0.00 C ATOM 1838 C VAL B 62 5.125 -10.235 0.663 1.00 0.00 C ATOM 1839 O VAL B 62 5.415 -10.219 -0.532 1.00 0.00 O ATOM 1840 CB VAL B 62 4.641 -8.031 1.912 1.00 0.00 C ATOM 1841 CG1 VAL B 62 5.346 -8.384 3.197 1.00 0.00 C ATOM 1842 CG2 VAL B 62 5.585 -7.274 0.997 1.00 0.00 C ATOM 0 H VAL B 62 3.074 -9.801 2.994 1.00 0.00 H new ATOM 0 HA VAL B 62 3.495 -8.904 0.335 1.00 0.00 H new ATOM 0 HB VAL B 62 3.796 -7.388 2.159 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.744 -7.478 3.655 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.641 -8.856 3.881 1.00 0.00 H new ATOM 0 HG13 VAL B 62 6.164 -9.073 2.986 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.983 -6.406 1.523 1.00 0.00 H new ATOM 0 HG22 VAL B 62 6.406 -7.927 0.701 1.00 0.00 H new ATOM 0 HG23 VAL B 62 5.045 -6.944 0.109 1.00 0.00 H new ATOM 1852 N LYS B 63 5.653 -11.114 1.531 1.00 0.00 N ATOM 1853 CA LYS B 63 6.693 -12.069 1.120 1.00 0.00 C ATOM 1854 C LYS B 63 6.136 -13.011 0.049 1.00 0.00 C ATOM 1855 O LYS B 63 6.865 -13.519 -0.803 1.00 0.00 O ATOM 1856 CB LYS B 63 7.221 -12.859 2.328 1.00 0.00 C ATOM 1857 CG LYS B 63 6.184 -13.750 2.981 1.00 0.00 C ATOM 1858 CD LYS B 63 6.693 -14.421 4.246 1.00 0.00 C ATOM 1859 CE LYS B 63 7.919 -15.271 3.978 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.285 -16.064 5.156 1.00 0.00 N ATOM 0 H LYS B 63 5.380 -11.182 2.511 1.00 0.00 H new ATOM 0 HA LYS B 63 7.532 -11.516 0.698 1.00 0.00 H new ATOM 0 HB2 LYS B 63 8.063 -13.473 2.008 1.00 0.00 H new ATOM 0 HB3 LYS B 63 7.602 -12.157 3.070 1.00 0.00 H new ATOM 0 HG2 LYS B 63 5.301 -13.157 3.220 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.871 -14.515 2.271 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.933 -13.661 4.989 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.905 -15.043 4.670 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.727 -15.935 3.135 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.754 -14.630 3.695 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.127 -16.635 4.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 8.491 -15.428 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 7.496 -16.692 5.410 1.00 0.00 H new ATOM 1874 N GLU B 64 4.823 -13.217 0.099 1.00 0.00 N ATOM 1875 CA GLU B 64 4.116 -13.995 -0.877 1.00 0.00 C ATOM 1876 C GLU B 64 4.150 -13.294 -2.211 1.00 0.00 C ATOM 1877 O GLU B 64 4.678 -13.803 -3.161 1.00 0.00 O ATOM 1878 CB GLU B 64 2.673 -14.210 -0.437 1.00 0.00 C ATOM 1879 CG GLU B 64 1.791 -14.823 -1.500 1.00 0.00 C ATOM 1880 CD GLU B 64 0.419 -15.127 -1.001 1.00 0.00 C ATOM 1881 OE1 GLU B 64 0.260 -16.075 -0.203 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -0.523 -14.426 -1.378 1.00 0.00 O ATOM 0 H GLU B 64 4.225 -12.838 0.833 1.00 0.00 H new ATOM 0 HA GLU B 64 4.600 -14.967 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU B 64 2.664 -14.853 0.443 1.00 0.00 H new ATOM 0 HB3 GLU B 64 2.249 -13.252 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU B 64 1.723 -14.141 -2.348 1.00 0.00 H new ATOM 0 HG3 GLU B 64 2.252 -15.740 -1.865 1.00 0.00 H new ATOM 1889 N ARG B 65 3.640 -12.100 -2.249 1.00 0.00 N ATOM 1890 CA ARG B 65 3.543 -11.358 -3.482 1.00 0.00 C ATOM 1891 C ARG B 65 4.906 -10.934 -4.013 1.00 0.00 C ATOM 1892 O ARG B 65 5.051 -10.674 -5.182 1.00 0.00 O ATOM 1893 CB ARG B 65 2.598 -10.183 -3.324 1.00 0.00 C ATOM 1894 CG ARG B 65 1.161 -10.600 -3.070 1.00 0.00 C ATOM 1895 CD ARG B 65 0.218 -9.412 -3.021 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.137 -9.837 -2.649 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.250 -9.102 -2.738 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.223 -7.879 -3.251 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -3.396 -9.608 -2.308 1.00 0.00 N ATOM 0 H ARG B 65 3.279 -11.609 -1.432 1.00 0.00 H new ATOM 0 HA ARG B 65 3.124 -12.024 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.940 -9.559 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG B 65 2.638 -9.570 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.839 -11.285 -3.855 1.00 0.00 H new ATOM 0 HG3 ARG B 65 1.104 -11.146 -2.128 1.00 0.00 H new ATOM 0 HD2 ARG B 65 0.585 -8.680 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG B 65 0.195 -8.919 -3.993 1.00 0.00 H new ATOM 0 HE ARG B 65 -1.239 -10.785 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.343 -7.485 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.082 -7.332 -3.311 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -3.422 -10.549 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.252 -9.057 -2.370 1.00 0.00 H new ATOM 1913 N LEU B 66 5.917 -10.937 -3.162 1.00 0.00 N ATOM 1914 CA LEU B 66 7.263 -10.579 -3.601 1.00 0.00 C ATOM 1915 C LEU B 66 7.946 -11.723 -4.348 1.00 0.00 C ATOM 1916 O LEU B 66 9.041 -11.539 -4.891 1.00 0.00 O ATOM 1917 CB LEU B 66 8.153 -10.116 -2.436 1.00 0.00 C ATOM 1918 CG LEU B 66 7.790 -8.785 -1.770 1.00 0.00 C ATOM 1919 CD1 LEU B 66 8.737 -8.502 -0.615 1.00 0.00 C ATOM 1920 CD2 LEU B 66 7.822 -7.641 -2.780 1.00 0.00 C ATOM 0 H LEU B 66 5.839 -11.179 -2.174 1.00 0.00 H new ATOM 0 HA LEU B 66 7.137 -9.742 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU B 66 8.140 -10.892 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU B 66 9.178 -10.044 -2.800 1.00 0.00 H new ATOM 0 HG LEU B 66 6.774 -8.862 -1.382 1.00 0.00 H new ATOM 0 HD11 LEU B 66 8.470 -7.554 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU B 66 8.662 -9.302 0.122 1.00 0.00 H new ATOM 0 HD13 LEU B 66 9.760 -8.447 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU B 66 7.561 -6.708 -2.281 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.823 -7.558 -3.204 1.00 0.00 H new ATOM 0 HD23 LEU B 66 7.106 -7.839 -3.577 1.00 0.00 H new ATOM 1932 N ARG B 67 7.320 -12.903 -4.373 1.00 0.00 N ATOM 1933 CA ARG B 67 7.907 -14.043 -5.079 1.00 0.00 C ATOM 1934 C ARG B 67 7.895 -13.772 -6.585 1.00 0.00 C ATOM 1935 O ARG B 67 8.882 -14.024 -7.273 1.00 0.00 O ATOM 1936 CB ARG B 67 7.206 -15.383 -4.706 1.00 0.00 C ATOM 1937 CG ARG B 67 5.779 -15.556 -5.214 1.00 0.00 C ATOM 1938 CD ARG B 67 5.028 -16.623 -4.420 1.00 0.00 C ATOM 1939 NE ARG B 67 5.605 -17.964 -4.539 1.00 0.00 N ATOM 1940 CZ ARG B 67 5.905 -18.772 -3.510 1.00 0.00 C ATOM 1941 NH1 ARG B 67 5.946 -18.297 -2.270 1.00 0.00 N ATOM 1942 NH2 ARG B 67 6.220 -20.038 -3.731 1.00 0.00 N ATOM 0 H ARG B 67 6.425 -13.092 -3.922 1.00 0.00 H new ATOM 0 HA ARG B 67 8.944 -14.158 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG B 67 7.810 -16.205 -5.091 1.00 0.00 H new ATOM 0 HB3 ARG B 67 7.197 -15.475 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.248 -14.607 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.798 -15.831 -6.268 1.00 0.00 H new ATOM 0 HD2 ARG B 67 5.012 -16.336 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG B 67 3.992 -16.652 -4.758 1.00 0.00 H new ATOM 0 HE ARG B 67 5.794 -18.312 -5.479 1.00 0.00 H new ATOM 0 HH11 ARG B 67 5.749 -17.312 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG B 67 6.175 -18.918 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG B 67 6.235 -20.401 -4.684 1.00 0.00 H new ATOM 0 HH22 ARG B 67 6.448 -20.651 -2.948 1.00 0.00 H new ATOM 1956 N ASN B 68 6.787 -13.200 -7.052 1.00 0.00 N ATOM 1957 CA ASN B 68 6.570 -12.770 -8.440 1.00 0.00 C ATOM 1958 C ASN B 68 5.376 -11.824 -8.469 1.00 0.00 C ATOM 1959 O ASN B 68 4.244 -12.262 -8.645 1.00 0.00 O ATOM 1960 CB ASN B 68 6.304 -13.928 -9.444 1.00 0.00 C ATOM 1961 CG ASN B 68 7.528 -14.725 -9.877 1.00 0.00 C ATOM 1962 OD1 ASN B 68 7.845 -15.775 -9.311 1.00 0.00 O ATOM 1963 ND2 ASN B 68 8.251 -14.219 -10.846 1.00 0.00 N ATOM 0 H ASN B 68 5.982 -13.014 -6.454 1.00 0.00 H new ATOM 0 HA ASN B 68 7.496 -12.293 -8.761 1.00 0.00 H new ATOM 0 HB2 ASN B 68 5.587 -14.615 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN B 68 5.832 -13.511 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN B 68 9.100 -14.695 -11.151 1.00 0.00 H new ATOM 0 HD22 ASN B 68 7.964 -13.349 -11.296 1.00 0.00 H new ATOM 1970 N PRO B 69 5.597 -10.535 -8.228 1.00 0.00 N ATOM 1971 CA PRO B 69 4.508 -9.564 -8.160 1.00 0.00 C ATOM 1972 C PRO B 69 3.966 -9.121 -9.527 1.00 0.00 C ATOM 1973 O PRO B 69 2.772 -9.293 -9.818 1.00 0.00 O ATOM 1974 CB PRO B 69 5.120 -8.371 -7.419 1.00 0.00 C ATOM 1975 CG PRO B 69 6.608 -8.523 -7.504 1.00 0.00 C ATOM 1976 CD PRO B 69 6.912 -9.929 -7.954 1.00 0.00 C ATOM 0 HA PRO B 69 3.642 -10.004 -7.665 1.00 0.00 H new ATOM 0 HB2 PRO B 69 4.801 -7.431 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.792 -8.353 -6.380 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.025 -7.801 -8.206 1.00 0.00 H new ATOM 0 HG3 PRO B 69 7.066 -8.326 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.541 -9.931 -8.844 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.449 -10.483 -7.184 1.00 0.00 H new ATOM 1984 N LYS B 70 4.865 -8.614 -10.373 1.00 0.00 N ATOM 1985 CA LYS B 70 4.527 -7.982 -11.652 1.00 0.00 C ATOM 1986 C LYS B 70 3.814 -6.646 -11.407 1.00 0.00 C ATOM 1987 O LYS B 70 2.581 -6.564 -11.407 1.00 0.00 O ATOM 1988 CB LYS B 70 3.742 -8.894 -12.656 1.00 0.00 C ATOM 1989 CG LYS B 70 4.556 -10.042 -13.281 1.00 0.00 C ATOM 1990 CD LYS B 70 4.964 -11.108 -12.269 1.00 0.00 C ATOM 1991 CE LYS B 70 5.870 -12.169 -12.887 1.00 0.00 C ATOM 1992 NZ LYS B 70 5.217 -12.923 -13.973 1.00 0.00 N ATOM 0 H LYS B 70 5.868 -8.631 -10.186 1.00 0.00 H new ATOM 0 HA LYS B 70 5.475 -7.799 -12.157 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.883 -9.321 -12.138 1.00 0.00 H new ATOM 0 HB3 LYS B 70 3.352 -8.269 -13.459 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.968 -10.507 -14.072 1.00 0.00 H new ATOM 0 HG3 LYS B 70 5.451 -9.632 -13.748 1.00 0.00 H new ATOM 0 HD2 LYS B 70 5.478 -10.635 -11.432 1.00 0.00 H new ATOM 0 HD3 LYS B 70 4.071 -11.585 -11.865 1.00 0.00 H new ATOM 0 HE2 LYS B 70 6.769 -11.690 -13.274 1.00 0.00 H new ATOM 0 HE3 LYS B 70 6.189 -12.864 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 5.849 -13.683 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 4.329 -13.336 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 5.013 -12.282 -14.766 1.00 0.00 H new ATOM 2006 N PRO B 71 4.605 -5.600 -11.094 1.00 0.00 N ATOM 2007 CA PRO B 71 4.083 -4.276 -10.813 1.00 0.00 C ATOM 2008 C PRO B 71 3.799 -3.458 -12.077 1.00 0.00 C ATOM 2009 O PRO B 71 4.530 -3.543 -13.089 1.00 0.00 O ATOM 2010 CB PRO B 71 5.194 -3.628 -9.992 1.00 0.00 C ATOM 2011 CG PRO B 71 6.453 -4.289 -10.438 1.00 0.00 C ATOM 2012 CD PRO B 71 6.076 -5.647 -10.966 1.00 0.00 C ATOM 0 HA PRO B 71 3.122 -4.325 -10.301 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.233 -2.552 -10.164 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.030 -3.775 -8.924 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.946 -3.698 -11.210 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.155 -4.379 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.552 -5.845 -11.926 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.390 -6.438 -10.285 1.00 0.00 H new ATOM 2020 N VAL B 72 2.742 -2.696 -12.019 1.00 0.00 N ATOM 2021 CA VAL B 72 2.328 -1.836 -13.096 1.00 0.00 C ATOM 2022 C VAL B 72 2.576 -0.399 -12.679 1.00 0.00 C ATOM 2023 O VAL B 72 2.188 0.000 -11.567 1.00 0.00 O ATOM 2024 CB VAL B 72 0.822 -2.037 -13.420 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.376 -1.167 -14.592 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.536 -3.502 -13.703 1.00 0.00 C ATOM 0 H VAL B 72 2.130 -2.654 -11.204 1.00 0.00 H new ATOM 0 HA VAL B 72 2.898 -2.079 -13.993 1.00 0.00 H new ATOM 0 HB VAL B 72 0.249 -1.727 -12.546 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.683 -1.336 -14.788 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.537 -0.117 -14.348 1.00 0.00 H new ATOM 0 HG13 VAL B 72 0.955 -1.426 -15.478 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.523 -3.629 -13.929 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.131 -3.831 -14.555 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.795 -4.099 -12.828 1.00 0.00 H new ATOM 2036 N ARG B 73 3.215 0.361 -13.550 1.00 0.00 N ATOM 2037 CA ARG B 73 3.564 1.734 -13.260 1.00 0.00 C ATOM 2038 C ARG B 73 2.321 2.593 -13.390 1.00 0.00 C ATOM 2039 O ARG B 73 1.709 2.662 -14.476 1.00 0.00 O ATOM 2040 CB ARG B 73 4.624 2.246 -14.244 1.00 0.00 C ATOM 2041 CG ARG B 73 5.197 3.604 -13.869 1.00 0.00 C ATOM 2042 CD ARG B 73 6.196 3.495 -12.724 1.00 0.00 C ATOM 2043 NE ARG B 73 7.483 2.921 -13.177 1.00 0.00 N ATOM 2044 CZ ARG B 73 8.357 2.239 -12.418 1.00 0.00 C ATOM 2045 NH1 ARG B 73 7.998 1.751 -11.243 1.00 0.00 N ATOM 2046 NH2 ARG B 73 9.569 1.983 -12.895 1.00 0.00 N ATOM 0 H ARG B 73 3.504 0.042 -14.475 1.00 0.00 H new ATOM 0 HA ARG B 73 3.967 1.788 -12.249 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.436 1.521 -14.300 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.184 2.309 -15.239 1.00 0.00 H new ATOM 0 HG2 ARG B 73 5.685 4.046 -14.738 1.00 0.00 H new ATOM 0 HG3 ARG B 73 4.387 4.275 -13.583 1.00 0.00 H new ATOM 0 HD2 ARG B 73 6.368 4.482 -12.295 1.00 0.00 H new ATOM 0 HD3 ARG B 73 5.778 2.872 -11.933 1.00 0.00 H new ATOM 0 HE ARG B 73 7.729 3.056 -14.158 1.00 0.00 H new ATOM 0 HH11 ARG B 73 7.047 1.890 -10.902 1.00 0.00 H new ATOM 0 HH12 ARG B 73 8.672 1.235 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG B 73 9.828 2.303 -13.828 1.00 0.00 H new ATOM 0 HH22 ARG B 73 10.241 1.466 -12.328 1.00 0.00 H new ATOM 2060 N VAL B 74 1.935 3.232 -12.326 1.00 0.00 N ATOM 2061 CA VAL B 74 0.766 4.065 -12.337 1.00 0.00 C ATOM 2062 C VAL B 74 1.039 5.414 -11.678 1.00 0.00 C ATOM 2063 O VAL B 74 2.137 5.685 -11.173 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.478 3.391 -11.659 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.934 2.150 -12.406 1.00 0.00 C ATOM 2066 CG2 VAL B 74 -0.192 3.049 -10.223 1.00 0.00 C ATOM 0 H VAL B 74 2.418 3.192 -11.429 1.00 0.00 H new ATOM 0 HA VAL B 74 0.524 4.217 -13.389 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.287 4.120 -11.696 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.797 1.718 -11.900 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -1.208 2.420 -13.426 1.00 0.00 H new ATOM 0 HG13 VAL B 74 -0.124 1.421 -12.429 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -1.071 2.583 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.649 2.357 -10.174 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.054 3.958 -9.674 1.00 0.00 H new ATOM 2076 N THR B 75 0.064 6.256 -11.766 1.00 0.00 N ATOM 2077 CA THR B 75 0.052 7.543 -11.163 1.00 0.00 C ATOM 2078 C THR B 75 -1.295 7.709 -10.475 1.00 0.00 C ATOM 2079 O THR B 75 -2.203 6.903 -10.697 1.00 0.00 O ATOM 2080 CB THR B 75 0.278 8.662 -12.217 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.617 8.495 -13.343 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.720 8.668 -12.706 1.00 0.00 C ATOM 0 H THR B 75 -0.789 6.053 -12.288 1.00 0.00 H new ATOM 0 HA THR B 75 0.864 7.628 -10.441 1.00 0.00 H new ATOM 0 HB THR B 75 0.067 9.616 -11.734 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.475 7.613 -13.746 1.00 0.00 H new ATOM 0 HG21 THR B 75 1.851 9.461 -13.443 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.389 8.842 -11.863 1.00 0.00 H new ATOM 0 HG23 THR B 75 1.953 7.706 -13.162 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.447 8.717 -9.673 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.712 8.952 -8.997 1.00 0.00 C ATOM 2092 C LEU B 76 -3.714 9.568 -9.952 1.00 0.00 C ATOM 2093 O LEU B 76 -4.925 9.411 -9.790 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.499 9.833 -7.786 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.623 9.237 -6.703 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.282 10.274 -5.672 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.315 8.063 -6.041 1.00 0.00 C ATOM 0 H LEU B 76 -0.718 9.398 -9.462 1.00 0.00 H new ATOM 0 HA LEU B 76 -3.115 7.998 -8.657 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -2.056 10.773 -8.114 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.471 10.072 -7.355 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.703 8.885 -7.169 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.652 9.828 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.747 11.097 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.199 10.651 -5.218 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.669 7.649 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.251 8.398 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.524 7.296 -6.787 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.197 10.238 -10.959 1.00 0.00 N ATOM 2110 CA ASP B 77 -4.000 10.866 -12.011 1.00 0.00 C ATOM 2111 C ASP B 77 -4.838 9.835 -12.755 1.00 0.00 C ATOM 2112 O ASP B 77 -5.985 10.101 -13.146 1.00 0.00 O ATOM 2113 CB ASP B 77 -3.076 11.580 -13.005 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.812 12.223 -14.165 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.027 11.562 -15.200 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -4.148 13.419 -14.081 1.00 0.00 O ATOM 0 H ASP B 77 -2.193 10.369 -11.081 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.673 11.584 -11.542 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.510 12.346 -12.476 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.354 10.863 -13.396 1.00 0.00 H new ATOM 2121 N GLU B 78 -4.282 8.656 -12.921 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.937 7.617 -13.677 1.00 0.00 C ATOM 2123 C GLU B 78 -5.743 6.681 -12.785 1.00 0.00 C ATOM 2124 O GLU B 78 -6.389 5.758 -13.284 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.918 6.831 -14.482 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.931 6.073 -13.625 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.875 5.410 -14.428 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -2.137 4.341 -15.023 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.768 5.951 -14.497 1.00 0.00 O ATOM 0 H GLU B 78 -3.373 8.394 -12.540 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.638 8.101 -14.358 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.442 6.127 -15.129 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.373 7.516 -15.132 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.467 6.759 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -3.463 5.323 -13.040 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.693 6.890 -11.481 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.471 6.068 -10.587 1.00 0.00 C ATOM 2138 C LEU B 79 -7.845 6.658 -10.454 1.00 0.00 C ATOM 2139 O LEU B 79 -8.774 6.169 -11.096 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.823 5.915 -9.208 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.443 5.258 -9.158 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -4.022 5.045 -7.721 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -4.423 3.939 -9.921 1.00 0.00 C ATOM 2144 OXT LEU B 79 -8.006 7.667 -9.757 1.00 0.00 O ATOM 0 H LEU B 79 -5.130 7.611 -11.029 1.00 0.00 H new ATOM 0 HA LEU B 79 -6.526 5.067 -11.015 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.743 6.905 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.498 5.334 -8.579 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.733 5.928 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -3.038 4.577 -7.696 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -3.980 6.006 -7.208 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.744 4.399 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -3.427 3.501 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -5.147 3.253 -9.481 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -4.681 4.118 -10.965 1.00 0.00 H new