USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.124 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 72:sc= 0.154 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= -0.0395 (180deg=-0.345) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.128 K(o=-0.13,f=-2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.464 K(o=-0.46,f=-2.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.946 USER MOD Single : A 46 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.8) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.052) USER MOD Single : A 57 THR OG1 : rot 27:sc= 0.191 USER MOD Single : A 58 ASN : amide:sc= -0.026 K(o=-0.026,f=-3.1!) USER MOD Single : A 59 ASN : amide:sc= -4.13! C(o=-4.1!,f=-6.4!) USER MOD Single : A 63 HIS : no HD1:sc= -2.12 X(o=-2.1,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.622 1.594 2.491 1.00 0.00 N ATOM 2 CA ALA A 1 14.538 0.703 1.992 1.00 0.00 C ATOM 3 C ALA A 1 13.254 0.973 2.778 1.00 0.00 C ATOM 4 O ALA A 1 13.168 1.921 3.537 1.00 0.00 O ATOM 5 CB ALA A 1 14.952 -0.759 2.179 1.00 0.00 C ATOM 0 H1 ALA A 1 15.985 2.172 1.706 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.245 2.216 3.235 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.394 1.017 2.881 1.00 0.00 H new ATOM 0 HA ALA A 1 14.365 0.899 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.159 -1.411 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 1 15.867 -0.952 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.125 -0.956 3.237 1.00 0.00 H new ATOM 13 N ILE A 2 12.255 0.146 2.601 1.00 0.00 N ATOM 14 CA ILE A 2 10.971 0.345 3.334 1.00 0.00 C ATOM 15 C ILE A 2 11.055 -0.334 4.704 1.00 0.00 C ATOM 16 O ILE A 2 11.237 -1.533 4.802 1.00 0.00 O ATOM 17 CB ILE A 2 9.821 -0.262 2.520 1.00 0.00 C ATOM 18 CG1 ILE A 2 9.802 0.362 1.111 1.00 0.00 C ATOM 19 CG2 ILE A 2 8.490 0.021 3.225 1.00 0.00 C ATOM 20 CD1 ILE A 2 10.181 -0.695 0.070 1.00 0.00 C ATOM 0 H ILE A 2 12.275 -0.661 1.978 1.00 0.00 H new ATOM 0 HA ILE A 2 10.789 1.411 3.473 1.00 0.00 H new ATOM 0 HB ILE A 2 9.964 -1.339 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 2 8.811 0.761 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.500 1.198 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.673 -0.410 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.504 -0.423 4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.345 1.098 3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.166 -0.248 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 2 11.181 -1.073 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.466 -1.517 0.109 1.00 0.00 H new ATOM 32 N GLU A 3 10.923 0.429 5.760 1.00 0.00 N ATOM 33 CA GLU A 3 10.995 -0.159 7.130 1.00 0.00 C ATOM 34 C GLU A 3 9.595 -0.588 7.577 1.00 0.00 C ATOM 35 O GLU A 3 8.627 -0.413 6.862 1.00 0.00 O ATOM 36 CB GLU A 3 11.541 0.887 8.105 1.00 0.00 C ATOM 37 CG GLU A 3 13.025 1.126 7.819 1.00 0.00 C ATOM 38 CD GLU A 3 13.479 2.411 8.513 1.00 0.00 C ATOM 39 OE1 GLU A 3 13.354 3.463 7.909 1.00 0.00 O ATOM 40 OE2 GLU A 3 13.944 2.321 9.638 1.00 0.00 O ATOM 0 H GLU A 3 10.768 1.437 5.731 1.00 0.00 H new ATOM 0 HA GLU A 3 11.655 -1.027 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.985 1.819 8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.408 0.547 9.132 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.615 0.281 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.191 1.202 6.744 1.00 0.00 H new ATOM 47 N ARG A 4 9.486 -1.151 8.753 1.00 0.00 N ATOM 48 CA ARG A 4 8.155 -1.600 9.255 1.00 0.00 C ATOM 49 C ARG A 4 7.487 -0.462 10.032 1.00 0.00 C ATOM 50 O ARG A 4 8.131 0.259 10.770 1.00 0.00 O ATOM 51 CB ARG A 4 8.338 -2.807 10.178 1.00 0.00 C ATOM 52 CG ARG A 4 7.047 -3.626 10.210 1.00 0.00 C ATOM 53 CD ARG A 4 7.131 -4.668 11.327 1.00 0.00 C ATOM 54 NE ARG A 4 8.361 -5.490 11.148 1.00 0.00 N ATOM 55 CZ ARG A 4 9.278 -5.502 12.076 1.00 0.00 C ATOM 56 NH1 ARG A 4 9.132 -6.257 13.129 1.00 0.00 N ATOM 57 NH2 ARG A 4 10.343 -4.759 11.949 1.00 0.00 N ATOM 0 H ARG A 4 10.266 -1.319 9.389 1.00 0.00 H new ATOM 0 HA ARG A 4 7.526 -1.879 8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.164 -3.425 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 4 8.595 -2.474 11.184 1.00 0.00 H new ATOM 0 HG2 ARG A 4 6.192 -2.970 10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.892 -4.118 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.149 -4.174 12.299 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.248 -5.307 11.310 1.00 0.00 H new ATOM 0 HE ARG A 4 8.486 -6.043 10.300 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.300 -6.839 13.228 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.850 -6.266 13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 4 10.458 -4.169 11.125 1.00 0.00 H new ATOM 0 HH22 ARG A 4 11.060 -4.768 12.674 1.00 0.00 H new ATOM 71 N GLY A 5 6.197 -0.304 9.872 1.00 0.00 N ATOM 72 CA GLY A 5 5.470 0.781 10.597 1.00 0.00 C ATOM 73 C GLY A 5 6.039 2.153 10.216 1.00 0.00 C ATOM 74 O GLY A 5 5.864 3.121 10.933 1.00 0.00 O ATOM 0 H GLY A 5 5.614 -0.883 9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.408 0.741 10.355 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.557 0.630 11.673 1.00 0.00 H new ATOM 78 N SER A 6 6.716 2.247 9.097 1.00 0.00 N ATOM 79 CA SER A 6 7.291 3.557 8.673 1.00 0.00 C ATOM 80 C SER A 6 6.274 4.304 7.807 1.00 0.00 C ATOM 81 O SER A 6 5.175 3.833 7.583 1.00 0.00 O ATOM 82 CB SER A 6 8.568 3.316 7.868 1.00 0.00 C ATOM 83 OG SER A 6 9.330 4.515 7.823 1.00 0.00 O ATOM 0 H SER A 6 6.894 1.471 8.460 1.00 0.00 H new ATOM 0 HA SER A 6 7.525 4.154 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.153 2.517 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.319 2.992 6.858 1.00 0.00 H new ATOM 0 HG SER A 6 10.150 4.362 7.309 1.00 0.00 H new ATOM 89 N LYS A 7 6.635 5.462 7.316 1.00 0.00 N ATOM 90 CA LYS A 7 5.699 6.244 6.458 1.00 0.00 C ATOM 91 C LYS A 7 6.209 6.224 5.016 1.00 0.00 C ATOM 92 O LYS A 7 7.247 6.782 4.711 1.00 0.00 O ATOM 93 CB LYS A 7 5.632 7.689 6.957 1.00 0.00 C ATOM 94 CG LYS A 7 5.033 7.717 8.365 1.00 0.00 C ATOM 95 CD LYS A 7 4.235 9.007 8.556 1.00 0.00 C ATOM 96 CE LYS A 7 3.477 8.947 9.883 1.00 0.00 C ATOM 97 NZ LYS A 7 2.183 9.675 9.749 1.00 0.00 N ATOM 0 H LYS A 7 7.542 5.900 7.474 1.00 0.00 H new ATOM 0 HA LYS A 7 4.703 5.802 6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.630 8.128 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.025 8.291 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.387 6.852 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.826 7.654 9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.905 9.866 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.535 9.140 7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.296 7.910 10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.077 9.392 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.667 9.635 10.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.367 10.668 9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.611 9.231 9.003 1.00 0.00 H new ATOM 111 N VAL A 8 5.491 5.580 4.128 1.00 0.00 N ATOM 112 CA VAL A 8 5.942 5.519 2.706 1.00 0.00 C ATOM 113 C VAL A 8 4.926 6.213 1.799 1.00 0.00 C ATOM 114 O VAL A 8 3.745 5.920 1.833 1.00 0.00 O ATOM 115 CB VAL A 8 6.102 4.053 2.277 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.119 3.368 3.190 1.00 0.00 C ATOM 117 CG2 VAL A 8 4.755 3.321 2.375 1.00 0.00 C ATOM 0 H VAL A 8 4.615 5.096 4.327 1.00 0.00 H new ATOM 0 HA VAL A 8 6.901 6.030 2.617 1.00 0.00 H new ATOM 0 HB VAL A 8 6.449 4.020 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.235 2.327 2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.079 3.878 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.769 3.410 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.882 2.283 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.397 3.354 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.029 3.806 1.722 1.00 0.00 H new ATOM 127 N LYS A 9 5.386 7.119 0.979 1.00 0.00 N ATOM 128 CA LYS A 9 4.466 7.827 0.050 1.00 0.00 C ATOM 129 C LYS A 9 4.188 6.913 -1.142 1.00 0.00 C ATOM 130 O LYS A 9 5.099 6.411 -1.771 1.00 0.00 O ATOM 131 CB LYS A 9 5.121 9.123 -0.437 1.00 0.00 C ATOM 132 CG LYS A 9 4.124 9.908 -1.293 1.00 0.00 C ATOM 133 CD LYS A 9 4.751 11.239 -1.724 1.00 0.00 C ATOM 134 CE LYS A 9 5.316 11.109 -3.140 1.00 0.00 C ATOM 135 NZ LYS A 9 5.580 12.466 -3.696 1.00 0.00 N ATOM 0 H LYS A 9 6.365 7.399 0.914 1.00 0.00 H new ATOM 0 HA LYS A 9 3.535 8.073 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.439 9.725 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.015 8.895 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.845 9.325 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.210 10.091 -0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.003 12.031 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.543 11.520 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.237 10.526 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.611 10.574 -3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.964 12.378 -4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.693 13.008 -3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.268 12.961 -3.093 1.00 0.00 H new ATOM 149 N ILE A 10 2.939 6.686 -1.444 1.00 0.00 N ATOM 150 CA ILE A 10 2.589 5.799 -2.587 1.00 0.00 C ATOM 151 C ILE A 10 2.839 6.541 -3.902 1.00 0.00 C ATOM 152 O ILE A 10 2.440 7.680 -4.062 1.00 0.00 O ATOM 153 CB ILE A 10 1.109 5.407 -2.490 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.781 4.839 -1.091 1.00 0.00 C ATOM 155 CG2 ILE A 10 0.792 4.358 -3.552 1.00 0.00 C ATOM 156 CD1 ILE A 10 1.780 3.741 -0.689 1.00 0.00 C ATOM 0 H ILE A 10 2.142 7.080 -0.944 1.00 0.00 H new ATOM 0 HA ILE A 10 3.205 4.901 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 10 0.502 6.298 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.804 5.642 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.231 4.433 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.259 4.078 -3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.996 4.768 -4.541 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.413 3.477 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.524 3.360 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.737 2.928 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.788 4.156 -0.668 1.00 0.00 H new ATOM 168 N LEU A 11 3.498 5.907 -4.844 1.00 0.00 N ATOM 169 CA LEU A 11 3.772 6.586 -6.147 1.00 0.00 C ATOM 170 C LEU A 11 3.231 5.744 -7.304 1.00 0.00 C ATOM 171 O LEU A 11 3.733 5.808 -8.412 1.00 0.00 O ATOM 172 CB LEU A 11 5.286 6.779 -6.324 1.00 0.00 C ATOM 173 CG LEU A 11 5.737 8.111 -5.707 1.00 0.00 C ATOM 174 CD1 LEU A 11 5.017 9.281 -6.387 1.00 0.00 C ATOM 175 CD2 LEU A 11 5.421 8.118 -4.208 1.00 0.00 C ATOM 0 H LEU A 11 3.855 4.955 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 11 3.277 7.557 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.821 5.954 -5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.539 6.759 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 11 6.811 8.221 -5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.346 10.219 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.252 9.284 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.941 9.173 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.742 9.064 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.348 7.997 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.948 7.297 -3.721 1.00 0.00 H new ATOM 187 N ARG A 12 2.210 4.963 -7.061 1.00 0.00 N ATOM 188 CA ARG A 12 1.630 4.123 -8.150 1.00 0.00 C ATOM 189 C ARG A 12 0.585 4.941 -8.910 1.00 0.00 C ATOM 190 O ARG A 12 -0.346 5.464 -8.329 1.00 0.00 O ATOM 191 CB ARG A 12 0.970 2.885 -7.542 1.00 0.00 C ATOM 192 CG ARG A 12 1.134 1.700 -8.494 1.00 0.00 C ATOM 193 CD ARG A 12 0.148 1.835 -9.656 1.00 0.00 C ATOM 194 NE ARG A 12 0.278 0.657 -10.559 1.00 0.00 N ATOM 195 CZ ARG A 12 -0.765 -0.076 -10.830 1.00 0.00 C ATOM 196 NH1 ARG A 12 -1.413 -0.673 -9.867 1.00 0.00 N ATOM 197 NH2 ARG A 12 -1.163 -0.214 -12.067 1.00 0.00 N ATOM 0 H ARG A 12 1.753 4.871 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 12 2.419 3.810 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.422 2.655 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.088 3.076 -7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.155 1.664 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.958 0.765 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.871 1.904 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.345 2.754 -10.209 1.00 0.00 H new ATOM 0 HE ARG A 12 1.184 0.424 -10.965 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.103 -0.566 -8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.229 -1.246 -10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.657 0.252 -12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.979 -0.788 -12.279 1.00 0.00 H new ATOM 211 N LYS A 13 0.734 5.058 -10.207 1.00 0.00 N ATOM 212 CA LYS A 13 -0.246 5.847 -11.017 1.00 0.00 C ATOM 213 C LYS A 13 -1.658 5.282 -10.828 1.00 0.00 C ATOM 214 O LYS A 13 -2.504 5.901 -10.210 1.00 0.00 O ATOM 215 CB LYS A 13 0.138 5.770 -12.496 1.00 0.00 C ATOM 216 CG LYS A 13 1.525 6.383 -12.696 1.00 0.00 C ATOM 217 CD LYS A 13 2.264 5.626 -13.802 1.00 0.00 C ATOM 218 CE LYS A 13 2.019 6.317 -15.145 1.00 0.00 C ATOM 219 NZ LYS A 13 3.173 6.062 -16.052 1.00 0.00 N ATOM 0 H LYS A 13 1.495 4.639 -10.741 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.229 6.885 -10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.136 4.732 -12.830 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.597 6.301 -13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.434 7.437 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.093 6.336 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.332 5.596 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.918 4.593 -13.844 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.099 5.944 -15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.889 7.389 -14.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.007 6.531 -16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.042 6.438 -15.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.276 5.038 -16.203 1.00 0.00 H new ATOM 233 N GLU A 14 -1.915 4.113 -11.357 1.00 0.00 N ATOM 234 CA GLU A 14 -3.269 3.502 -11.213 1.00 0.00 C ATOM 235 C GLU A 14 -3.420 2.925 -9.804 1.00 0.00 C ATOM 236 O GLU A 14 -3.181 1.754 -9.576 1.00 0.00 O ATOM 237 CB GLU A 14 -3.436 2.384 -12.243 1.00 0.00 C ATOM 238 CG GLU A 14 -3.236 2.949 -13.650 1.00 0.00 C ATOM 239 CD GLU A 14 -3.223 1.805 -14.664 1.00 0.00 C ATOM 240 OE1 GLU A 14 -4.197 1.072 -14.713 1.00 0.00 O ATOM 241 OE2 GLU A 14 -2.240 1.681 -15.375 1.00 0.00 O ATOM 0 H GLU A 14 -1.243 3.555 -11.884 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.031 4.264 -11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.714 1.590 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.428 1.941 -12.156 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.035 3.651 -13.888 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.299 3.504 -13.700 1.00 0.00 H new ATOM 248 N SER A 15 -3.817 3.740 -8.858 1.00 0.00 N ATOM 249 CA SER A 15 -3.985 3.246 -7.460 1.00 0.00 C ATOM 250 C SER A 15 -5.054 4.077 -6.746 1.00 0.00 C ATOM 251 O SER A 15 -5.116 5.284 -6.889 1.00 0.00 O ATOM 252 CB SER A 15 -2.657 3.363 -6.712 1.00 0.00 C ATOM 253 OG SER A 15 -2.884 3.192 -5.319 1.00 0.00 O ATOM 0 H SER A 15 -4.032 4.728 -8.996 1.00 0.00 H new ATOM 0 HA SER A 15 -4.296 2.202 -7.481 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.956 2.610 -7.073 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.205 4.336 -6.901 1.00 0.00 H new ATOM 0 HG SER A 15 -3.099 2.254 -5.135 1.00 0.00 H new ATOM 259 N TYR A 16 -5.894 3.432 -5.979 1.00 0.00 N ATOM 260 CA TYR A 16 -6.973 4.161 -5.246 1.00 0.00 C ATOM 261 C TYR A 16 -6.361 5.135 -4.225 1.00 0.00 C ATOM 262 O TYR A 16 -7.046 6.006 -3.720 1.00 0.00 O ATOM 263 CB TYR A 16 -7.858 3.134 -4.522 1.00 0.00 C ATOM 264 CG TYR A 16 -8.980 3.826 -3.770 1.00 0.00 C ATOM 265 CD1 TYR A 16 -9.750 4.817 -4.396 1.00 0.00 C ATOM 266 CD2 TYR A 16 -9.249 3.468 -2.443 1.00 0.00 C ATOM 267 CE1 TYR A 16 -10.784 5.447 -3.694 1.00 0.00 C ATOM 268 CE2 TYR A 16 -10.286 4.098 -1.742 1.00 0.00 C ATOM 269 CZ TYR A 16 -11.053 5.088 -2.367 1.00 0.00 C ATOM 270 OH TYR A 16 -12.075 5.708 -1.678 1.00 0.00 O ATOM 0 H TYR A 16 -5.879 2.423 -5.828 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.571 4.735 -5.954 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.276 2.434 -5.245 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.253 2.552 -3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.545 5.094 -5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.657 2.705 -1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.375 6.211 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.493 3.820 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.128 5.341 -0.771 1.00 0.00 H new ATOM 280 N TRP A 17 -5.094 4.997 -3.908 1.00 0.00 N ATOM 281 CA TRP A 17 -4.472 5.917 -2.910 1.00 0.00 C ATOM 282 C TRP A 17 -3.212 6.565 -3.494 1.00 0.00 C ATOM 283 O TRP A 17 -2.272 6.866 -2.782 1.00 0.00 O ATOM 284 CB TRP A 17 -4.126 5.122 -1.647 1.00 0.00 C ATOM 285 CG TRP A 17 -5.387 4.547 -1.067 1.00 0.00 C ATOM 286 CD1 TRP A 17 -6.558 5.216 -0.932 1.00 0.00 C ATOM 287 CD2 TRP A 17 -5.627 3.203 -0.549 1.00 0.00 C ATOM 288 NE1 TRP A 17 -7.496 4.371 -0.373 1.00 0.00 N ATOM 289 CE2 TRP A 17 -6.972 3.122 -0.115 1.00 0.00 C ATOM 290 CE3 TRP A 17 -4.819 2.059 -0.414 1.00 0.00 C ATOM 291 CZ2 TRP A 17 -7.497 1.951 0.431 1.00 0.00 C ATOM 292 CZ3 TRP A 17 -5.347 0.878 0.139 1.00 0.00 C ATOM 293 CH2 TRP A 17 -6.682 0.826 0.560 1.00 0.00 C ATOM 0 H TRP A 17 -4.470 4.290 -4.297 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.176 6.711 -2.659 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.424 4.323 -1.886 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.637 5.768 -0.918 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.730 6.244 -1.216 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.460 4.638 -0.175 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.789 2.088 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.528 1.915 0.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.719 0.005 0.240 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.080 -0.084 0.984 1.00 0.00 H new ATOM 304 N TYR A 18 -3.199 6.797 -4.782 1.00 0.00 N ATOM 305 CA TYR A 18 -2.016 7.443 -5.423 1.00 0.00 C ATOM 306 C TYR A 18 -1.965 8.917 -5.000 1.00 0.00 C ATOM 307 O TYR A 18 -2.832 9.698 -5.344 1.00 0.00 O ATOM 308 CB TYR A 18 -2.153 7.335 -6.953 1.00 0.00 C ATOM 309 CG TYR A 18 -1.035 8.086 -7.654 1.00 0.00 C ATOM 310 CD1 TYR A 18 0.299 7.903 -7.263 1.00 0.00 C ATOM 311 CD2 TYR A 18 -1.340 8.968 -8.698 1.00 0.00 C ATOM 312 CE1 TYR A 18 1.321 8.600 -7.919 1.00 0.00 C ATOM 313 CE2 TYR A 18 -0.318 9.664 -9.351 1.00 0.00 C ATOM 314 CZ TYR A 18 1.013 9.480 -8.962 1.00 0.00 C ATOM 315 OH TYR A 18 2.022 10.167 -9.607 1.00 0.00 O ATOM 0 H TYR A 18 -3.961 6.565 -5.419 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.097 6.947 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.134 6.286 -7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.117 7.737 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.538 7.225 -6.457 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.367 9.111 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.349 8.458 -7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.556 10.344 -10.156 1.00 0.00 H new ATOM 0 HH TYR A 18 1.636 10.734 -10.307 1.00 0.00 H new ATOM 325 N GLY A 19 -0.952 9.298 -4.262 1.00 0.00 N ATOM 326 CA GLY A 19 -0.838 10.721 -3.821 1.00 0.00 C ATOM 327 C GLY A 19 -0.879 10.821 -2.290 1.00 0.00 C ATOM 328 O GLY A 19 -0.595 11.865 -1.733 1.00 0.00 O ATOM 0 H GLY A 19 -0.200 8.685 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.093 11.149 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.651 11.306 -4.250 1.00 0.00 H new ATOM 332 N ASP A 20 -1.227 9.757 -1.601 1.00 0.00 N ATOM 333 CA ASP A 20 -1.280 9.821 -0.108 1.00 0.00 C ATOM 334 C ASP A 20 -0.208 8.903 0.481 1.00 0.00 C ATOM 335 O ASP A 20 0.418 8.139 -0.224 1.00 0.00 O ATOM 336 CB ASP A 20 -2.662 9.373 0.380 1.00 0.00 C ATOM 337 CG ASP A 20 -3.117 10.271 1.532 1.00 0.00 C ATOM 338 OD1 ASP A 20 -2.731 9.999 2.657 1.00 0.00 O ATOM 339 OD2 ASP A 20 -3.846 11.214 1.270 1.00 0.00 O ATOM 0 H ASP A 20 -1.474 8.855 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.099 10.846 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.381 9.422 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.623 8.334 0.709 1.00 0.00 H new ATOM 344 N VAL A 21 -0.001 8.975 1.770 1.00 0.00 N ATOM 345 CA VAL A 21 1.025 8.109 2.422 1.00 0.00 C ATOM 346 C VAL A 21 0.323 6.957 3.148 1.00 0.00 C ATOM 347 O VAL A 21 -0.865 7.009 3.405 1.00 0.00 O ATOM 348 CB VAL A 21 1.838 8.943 3.422 1.00 0.00 C ATOM 349 CG1 VAL A 21 2.902 8.070 4.096 1.00 0.00 C ATOM 350 CG2 VAL A 21 2.531 10.087 2.677 1.00 0.00 C ATOM 0 H VAL A 21 -0.501 9.600 2.402 1.00 0.00 H new ATOM 0 HA VAL A 21 1.699 7.702 1.668 1.00 0.00 H new ATOM 0 HB VAL A 21 1.166 9.341 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.472 8.672 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.417 7.250 4.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.574 7.666 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.110 10.683 3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.196 9.676 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.781 10.718 2.200 1.00 0.00 H new ATOM 360 N GLY A 22 1.050 5.919 3.472 1.00 0.00 N ATOM 361 CA GLY A 22 0.433 4.758 4.174 1.00 0.00 C ATOM 362 C GLY A 22 1.402 4.212 5.227 1.00 0.00 C ATOM 363 O GLY A 22 2.599 4.409 5.141 1.00 0.00 O ATOM 0 H GLY A 22 2.047 5.827 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.500 5.062 4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.185 3.977 3.455 1.00 0.00 H new ATOM 367 N THR A 23 0.889 3.527 6.220 1.00 0.00 N ATOM 368 CA THR A 23 1.773 2.963 7.285 1.00 0.00 C ATOM 369 C THR A 23 2.203 1.548 6.891 1.00 0.00 C ATOM 370 O THR A 23 1.404 0.637 6.847 1.00 0.00 O ATOM 371 CB THR A 23 1.013 2.918 8.615 1.00 0.00 C ATOM 372 OG1 THR A 23 0.521 4.216 8.920 1.00 0.00 O ATOM 373 CG2 THR A 23 1.958 2.454 9.724 1.00 0.00 C ATOM 0 H THR A 23 -0.106 3.334 6.338 1.00 0.00 H new ATOM 0 HA THR A 23 2.655 3.594 7.397 1.00 0.00 H new ATOM 0 HB THR A 23 0.177 2.222 8.537 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.033 4.190 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.419 2.421 10.671 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.336 1.460 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.793 3.150 9.805 1.00 0.00 H new ATOM 381 N VAL A 24 3.468 1.360 6.605 1.00 0.00 N ATOM 382 CA VAL A 24 3.972 0.006 6.199 1.00 0.00 C ATOM 383 C VAL A 24 3.513 -1.063 7.203 1.00 0.00 C ATOM 384 O VAL A 24 3.638 -0.895 8.401 1.00 0.00 O ATOM 385 CB VAL A 24 5.501 0.026 6.147 1.00 0.00 C ATOM 386 CG1 VAL A 24 6.011 -1.297 5.573 1.00 0.00 C ATOM 387 CG2 VAL A 24 5.966 1.180 5.254 1.00 0.00 C ATOM 0 H VAL A 24 4.180 2.090 6.635 1.00 0.00 H new ATOM 0 HA VAL A 24 3.569 -0.237 5.216 1.00 0.00 H new ATOM 0 HB VAL A 24 5.896 0.162 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.100 -1.282 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.681 -2.120 6.207 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.616 -1.433 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.055 1.195 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.570 1.044 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.604 2.124 5.661 1.00 0.00 H new ATOM 397 N ALA A 25 2.981 -2.153 6.713 1.00 0.00 N ATOM 398 CA ALA A 25 2.506 -3.236 7.622 1.00 0.00 C ATOM 399 C ALA A 25 3.506 -4.395 7.611 1.00 0.00 C ATOM 400 O ALA A 25 3.907 -4.887 8.648 1.00 0.00 O ATOM 401 CB ALA A 25 1.141 -3.739 7.145 1.00 0.00 C ATOM 0 H ALA A 25 2.855 -2.339 5.718 1.00 0.00 H new ATOM 0 HA ALA A 25 2.419 -2.844 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.793 -4.531 7.809 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.426 -2.916 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.231 -4.129 6.131 1.00 0.00 H new ATOM 407 N SER A 26 3.908 -4.832 6.444 1.00 0.00 N ATOM 408 CA SER A 26 4.880 -5.961 6.359 1.00 0.00 C ATOM 409 C SER A 26 5.249 -6.214 4.895 1.00 0.00 C ATOM 410 O SER A 26 4.798 -5.522 4.002 1.00 0.00 O ATOM 411 CB SER A 26 4.246 -7.223 6.948 1.00 0.00 C ATOM 412 OG SER A 26 5.244 -7.981 7.619 1.00 0.00 O ATOM 0 H SER A 26 3.604 -4.454 5.547 1.00 0.00 H new ATOM 0 HA SER A 26 5.779 -5.707 6.920 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.450 -6.954 7.642 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.791 -7.819 6.157 1.00 0.00 H new ATOM 0 HG SER A 26 4.841 -8.789 7.999 1.00 0.00 H new ATOM 418 N ILE A 27 6.068 -7.206 4.648 1.00 0.00 N ATOM 419 CA ILE A 27 6.476 -7.519 3.247 1.00 0.00 C ATOM 420 C ILE A 27 6.081 -8.961 2.919 1.00 0.00 C ATOM 421 O ILE A 27 5.802 -9.750 3.801 1.00 0.00 O ATOM 422 CB ILE A 27 7.994 -7.362 3.106 1.00 0.00 C ATOM 423 CG1 ILE A 27 8.439 -6.000 3.667 1.00 0.00 C ATOM 424 CG2 ILE A 27 8.385 -7.466 1.628 1.00 0.00 C ATOM 425 CD1 ILE A 27 7.756 -4.857 2.903 1.00 0.00 C ATOM 0 H ILE A 27 6.472 -7.814 5.360 1.00 0.00 H new ATOM 0 HA ILE A 27 5.978 -6.835 2.560 1.00 0.00 H new ATOM 0 HB ILE A 27 8.488 -8.154 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.190 -5.937 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.522 -5.903 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.465 -7.354 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.084 -8.439 1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.885 -6.679 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.081 -3.900 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.026 -4.912 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.674 -4.946 3.005 1.00 0.00 H new ATOM 437 N ASP A 28 6.058 -9.309 1.656 1.00 0.00 N ATOM 438 CA ASP A 28 5.682 -10.699 1.265 1.00 0.00 C ATOM 439 C ASP A 28 6.951 -11.529 1.060 1.00 0.00 C ATOM 440 O ASP A 28 7.078 -12.267 0.100 1.00 0.00 O ATOM 441 CB ASP A 28 4.869 -10.666 -0.031 1.00 0.00 C ATOM 442 CG ASP A 28 3.849 -11.806 -0.024 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.267 -12.946 0.095 1.00 0.00 O ATOM 444 OD2 ASP A 28 2.669 -11.521 -0.140 1.00 0.00 O ATOM 0 H ASP A 28 6.284 -8.688 0.879 1.00 0.00 H new ATOM 0 HA ASP A 28 5.079 -11.149 2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.358 -9.708 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.532 -10.762 -0.891 1.00 0.00 H new ATOM 449 N LYS A 29 7.886 -11.412 1.965 1.00 0.00 N ATOM 450 CA LYS A 29 9.161 -12.187 1.850 1.00 0.00 C ATOM 451 C LYS A 29 9.858 -11.877 0.518 1.00 0.00 C ATOM 452 O LYS A 29 10.677 -12.646 0.049 1.00 0.00 O ATOM 453 CB LYS A 29 8.851 -13.684 1.922 1.00 0.00 C ATOM 454 CG LYS A 29 8.109 -13.991 3.225 1.00 0.00 C ATOM 455 CD LYS A 29 9.121 -14.191 4.354 1.00 0.00 C ATOM 456 CE LYS A 29 8.418 -14.798 5.569 1.00 0.00 C ATOM 457 NZ LYS A 29 8.091 -16.225 5.294 1.00 0.00 N ATOM 0 H LYS A 29 7.823 -10.809 2.785 1.00 0.00 H new ATOM 0 HA LYS A 29 9.822 -11.903 2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.244 -13.982 1.067 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.775 -14.260 1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.431 -13.174 3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.499 -14.887 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.927 -14.846 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.575 -13.237 4.622 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.059 -14.724 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.507 -14.242 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.951 -16.729 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.220 -16.279 4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.873 -16.665 4.769 1.00 0.00 H new ATOM 471 N SER A 30 9.544 -10.758 -0.096 1.00 0.00 N ATOM 472 CA SER A 30 10.191 -10.400 -1.396 1.00 0.00 C ATOM 473 C SER A 30 9.935 -11.505 -2.427 1.00 0.00 C ATOM 474 O SER A 30 10.770 -12.362 -2.650 1.00 0.00 O ATOM 475 CB SER A 30 11.697 -10.237 -1.188 1.00 0.00 C ATOM 476 OG SER A 30 11.987 -8.875 -0.900 1.00 0.00 O ATOM 0 H SER A 30 8.867 -10.078 0.250 1.00 0.00 H new ATOM 0 HA SER A 30 9.768 -9.464 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.034 -10.873 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.236 -10.554 -2.081 1.00 0.00 H new ATOM 0 HG SER A 30 12.952 -8.768 -0.764 1.00 0.00 H new ATOM 482 N GLY A 31 8.784 -11.490 -3.054 1.00 0.00 N ATOM 483 CA GLY A 31 8.467 -12.538 -4.069 1.00 0.00 C ATOM 484 C GLY A 31 7.705 -11.911 -5.238 1.00 0.00 C ATOM 485 O GLY A 31 8.254 -11.696 -6.302 1.00 0.00 O ATOM 0 H GLY A 31 8.051 -10.796 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.387 -13.000 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.869 -13.328 -3.615 1.00 0.00 H new ATOM 489 N ILE A 32 6.442 -11.621 -5.047 1.00 0.00 N ATOM 490 CA ILE A 32 5.632 -11.010 -6.143 1.00 0.00 C ATOM 491 C ILE A 32 6.223 -9.649 -6.524 1.00 0.00 C ATOM 492 O ILE A 32 7.059 -9.109 -5.826 1.00 0.00 O ATOM 493 CB ILE A 32 4.190 -10.825 -5.668 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.180 -10.030 -4.360 1.00 0.00 C ATOM 495 CG2 ILE A 32 3.549 -12.194 -5.435 1.00 0.00 C ATOM 496 CD1 ILE A 32 2.762 -9.533 -4.074 1.00 0.00 C ATOM 0 H ILE A 32 5.936 -11.782 -4.176 1.00 0.00 H new ATOM 0 HA ILE A 32 5.648 -11.666 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 32 3.626 -10.283 -6.427 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.529 -10.656 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.865 -9.185 -4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.521 -12.062 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.554 -12.761 -6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.114 -12.736 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.756 -8.967 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.430 -8.892 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.089 -10.386 -3.985 1.00 0.00 H new ATOM 508 N ILE A 33 5.789 -9.096 -7.628 1.00 0.00 N ATOM 509 CA ILE A 33 6.316 -7.770 -8.066 1.00 0.00 C ATOM 510 C ILE A 33 5.964 -6.705 -7.017 1.00 0.00 C ATOM 511 O ILE A 33 6.663 -5.721 -6.865 1.00 0.00 O ATOM 512 CB ILE A 33 5.702 -7.406 -9.428 1.00 0.00 C ATOM 513 CG1 ILE A 33 6.234 -6.046 -9.894 1.00 0.00 C ATOM 514 CG2 ILE A 33 4.176 -7.344 -9.312 1.00 0.00 C ATOM 515 CD1 ILE A 33 7.715 -6.176 -10.257 1.00 0.00 C ATOM 0 H ILE A 33 5.090 -9.508 -8.246 1.00 0.00 H new ATOM 0 HA ILE A 33 7.400 -7.816 -8.166 1.00 0.00 H new ATOM 0 HB ILE A 33 5.978 -8.170 -10.155 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.666 -5.697 -10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.105 -5.304 -9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.748 -7.086 -10.280 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.796 -8.315 -8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.897 -6.587 -8.579 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.095 -5.210 -10.589 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.276 -6.506 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.830 -6.906 -11.059 1.00 0.00 H new ATOM 527 N TYR A 34 4.890 -6.900 -6.292 1.00 0.00 N ATOM 528 CA TYR A 34 4.490 -5.907 -5.250 1.00 0.00 C ATOM 529 C TYR A 34 4.292 -6.640 -3.906 1.00 0.00 C ATOM 530 O TYR A 34 3.171 -6.879 -3.501 1.00 0.00 O ATOM 531 CB TYR A 34 3.178 -5.226 -5.670 1.00 0.00 C ATOM 532 CG TYR A 34 3.291 -4.696 -7.085 1.00 0.00 C ATOM 533 CD1 TYR A 34 4.405 -3.937 -7.471 1.00 0.00 C ATOM 534 CD2 TYR A 34 2.274 -4.963 -8.009 1.00 0.00 C ATOM 535 CE1 TYR A 34 4.500 -3.448 -8.780 1.00 0.00 C ATOM 536 CE2 TYR A 34 2.370 -4.473 -9.318 1.00 0.00 C ATOM 537 CZ TYR A 34 3.482 -3.716 -9.702 1.00 0.00 C ATOM 538 OH TYR A 34 3.577 -3.234 -10.992 1.00 0.00 O ATOM 0 H TYR A 34 4.272 -7.707 -6.378 1.00 0.00 H new ATOM 0 HA TYR A 34 5.267 -5.150 -5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.354 -5.937 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.949 -4.409 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.190 -3.729 -6.759 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.415 -5.547 -7.713 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.359 -2.864 -9.078 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.585 -4.680 -10.031 1.00 0.00 H new ATOM 0 HH TYR A 34 2.788 -3.511 -11.503 1.00 0.00 H new ATOM 548 N PRO A 35 5.387 -7.000 -3.254 1.00 0.00 N ATOM 549 CA PRO A 35 5.331 -7.727 -1.970 1.00 0.00 C ATOM 550 C PRO A 35 5.132 -6.772 -0.784 1.00 0.00 C ATOM 551 O PRO A 35 4.729 -7.187 0.286 1.00 0.00 O ATOM 552 CB PRO A 35 6.708 -8.390 -1.879 1.00 0.00 C ATOM 553 CG PRO A 35 7.658 -7.562 -2.777 1.00 0.00 C ATOM 554 CD PRO A 35 6.770 -6.734 -3.722 1.00 0.00 C ATOM 0 HA PRO A 35 4.498 -8.429 -1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.064 -8.405 -0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.662 -9.426 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.291 -6.912 -2.173 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.321 -8.216 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.011 -5.673 -3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 35 6.904 -7.037 -4.760 1.00 0.00 H new ATOM 562 N VAL A 36 5.434 -5.507 -0.953 1.00 0.00 N ATOM 563 CA VAL A 36 5.285 -4.542 0.182 1.00 0.00 C ATOM 564 C VAL A 36 3.824 -4.118 0.336 1.00 0.00 C ATOM 565 O VAL A 36 3.292 -3.400 -0.486 1.00 0.00 O ATOM 566 CB VAL A 36 6.132 -3.299 -0.085 1.00 0.00 C ATOM 567 CG1 VAL A 36 6.157 -2.434 1.175 1.00 0.00 C ATOM 568 CG2 VAL A 36 7.562 -3.711 -0.453 1.00 0.00 C ATOM 0 H VAL A 36 5.776 -5.102 -1.824 1.00 0.00 H new ATOM 0 HA VAL A 36 5.617 -5.033 1.097 1.00 0.00 H new ATOM 0 HB VAL A 36 5.701 -2.736 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.760 -1.544 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.140 -2.137 1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.589 -3.003 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.160 -2.820 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.001 -4.275 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.543 -4.332 -1.349 1.00 0.00 H new ATOM 578 N ILE A 37 3.179 -4.534 1.398 1.00 0.00 N ATOM 579 CA ILE A 37 1.758 -4.132 1.608 1.00 0.00 C ATOM 580 C ILE A 37 1.729 -2.907 2.541 1.00 0.00 C ATOM 581 O ILE A 37 2.155 -2.970 3.680 1.00 0.00 O ATOM 582 CB ILE A 37 0.947 -5.345 2.162 1.00 0.00 C ATOM 583 CG1 ILE A 37 -0.406 -5.407 1.447 1.00 0.00 C ATOM 584 CG2 ILE A 37 0.698 -5.264 3.681 1.00 0.00 C ATOM 585 CD1 ILE A 37 -0.271 -6.239 0.171 1.00 0.00 C ATOM 0 H ILE A 37 3.574 -5.131 2.124 1.00 0.00 H new ATOM 0 HA ILE A 37 1.284 -3.844 0.670 1.00 0.00 H new ATOM 0 HB ILE A 37 1.542 -6.239 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.156 -5.848 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.747 -4.401 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.130 -6.136 4.004 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.653 -5.239 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.135 -4.359 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.234 -6.283 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.466 -5.779 -0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.051 -7.248 0.427 1.00 0.00 H new ATOM 597 N VAL A 38 1.243 -1.797 2.054 1.00 0.00 N ATOM 598 CA VAL A 38 1.189 -0.567 2.894 1.00 0.00 C ATOM 599 C VAL A 38 -0.178 -0.482 3.575 1.00 0.00 C ATOM 600 O VAL A 38 -1.110 -1.156 3.189 1.00 0.00 O ATOM 601 CB VAL A 38 1.409 0.662 2.007 1.00 0.00 C ATOM 602 CG1 VAL A 38 1.499 1.912 2.880 1.00 0.00 C ATOM 603 CG2 VAL A 38 2.713 0.495 1.223 1.00 0.00 C ATOM 0 H VAL A 38 0.880 -1.689 1.107 1.00 0.00 H new ATOM 0 HA VAL A 38 1.968 -0.603 3.655 1.00 0.00 H new ATOM 0 HB VAL A 38 0.575 0.763 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.656 2.786 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.572 2.031 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.333 1.812 3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.872 1.369 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.546 0.395 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.651 -0.397 0.600 1.00 0.00 H new ATOM 613 N ARG A 39 -0.296 0.335 4.589 1.00 0.00 N ATOM 614 CA ARG A 39 -1.595 0.470 5.311 1.00 0.00 C ATOM 615 C ARG A 39 -2.259 1.794 4.919 1.00 0.00 C ATOM 616 O ARG A 39 -1.591 2.767 4.622 1.00 0.00 O ATOM 617 CB ARG A 39 -1.327 0.454 6.819 1.00 0.00 C ATOM 618 CG ARG A 39 -2.642 0.551 7.594 1.00 0.00 C ATOM 619 CD ARG A 39 -2.387 0.213 9.062 1.00 0.00 C ATOM 620 NE ARG A 39 -3.631 -0.338 9.670 1.00 0.00 N ATOM 621 CZ ARG A 39 -3.725 -0.461 10.965 1.00 0.00 C ATOM 622 NH1 ARG A 39 -3.831 0.600 11.716 1.00 0.00 N ATOM 623 NH2 ARG A 39 -3.714 -1.648 11.510 1.00 0.00 N ATOM 0 H ARG A 39 0.458 0.919 4.950 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.257 -0.355 5.046 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.803 -0.462 7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.676 1.286 7.088 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.056 1.555 7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.377 -0.135 7.173 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.578 -0.513 9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.070 1.106 9.602 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.409 -0.619 9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.840 1.527 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.904 0.503 12.729 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.632 -2.478 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.787 -1.745 12.523 1.00 0.00 H new ATOM 637 N PHE A 40 -3.567 1.835 4.920 1.00 0.00 N ATOM 638 CA PHE A 40 -4.284 3.091 4.554 1.00 0.00 C ATOM 639 C PHE A 40 -5.567 3.208 5.379 1.00 0.00 C ATOM 640 O PHE A 40 -6.362 2.288 5.436 1.00 0.00 O ATOM 641 CB PHE A 40 -4.646 3.059 3.067 1.00 0.00 C ATOM 642 CG PHE A 40 -3.396 2.884 2.240 1.00 0.00 C ATOM 643 CD1 PHE A 40 -2.673 4.007 1.820 1.00 0.00 C ATOM 644 CD2 PHE A 40 -2.962 1.600 1.889 1.00 0.00 C ATOM 645 CE1 PHE A 40 -1.515 3.845 1.048 1.00 0.00 C ATOM 646 CE2 PHE A 40 -1.806 1.439 1.119 1.00 0.00 C ATOM 647 CZ PHE A 40 -1.082 2.561 0.699 1.00 0.00 C ATOM 0 H PHE A 40 -4.171 1.049 5.160 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.638 3.945 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.341 2.242 2.870 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.152 3.983 2.787 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.008 4.997 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.520 0.734 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.957 4.711 0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.472 0.448 0.848 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.189 2.436 0.105 1.00 0.00 H new ATOM 657 N ASN A 41 -5.778 4.335 6.011 1.00 0.00 N ATOM 658 CA ASN A 41 -7.015 4.523 6.826 1.00 0.00 C ATOM 659 C ASN A 41 -8.242 4.435 5.912 1.00 0.00 C ATOM 660 O ASN A 41 -9.313 4.040 6.332 1.00 0.00 O ATOM 661 CB ASN A 41 -6.978 5.895 7.502 1.00 0.00 C ATOM 662 CG ASN A 41 -6.067 5.836 8.730 1.00 0.00 C ATOM 663 OD1 ASN A 41 -5.912 4.794 9.335 1.00 0.00 O ATOM 664 ND2 ASN A 41 -5.453 6.917 9.126 1.00 0.00 N ATOM 0 H ASN A 41 -5.145 5.135 5.997 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.072 3.746 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.614 6.647 6.802 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.984 6.194 7.797 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.843 6.887 9.943 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.583 7.792 8.618 1.00 0.00 H new ATOM 671 N LYS A 42 -8.085 4.797 4.663 1.00 0.00 N ATOM 672 CA LYS A 42 -9.226 4.737 3.701 1.00 0.00 C ATOM 673 C LYS A 42 -9.719 3.291 3.583 1.00 0.00 C ATOM 674 O LYS A 42 -9.019 2.360 3.935 1.00 0.00 O ATOM 675 CB LYS A 42 -8.742 5.224 2.332 1.00 0.00 C ATOM 676 CG LYS A 42 -9.914 5.780 1.512 1.00 0.00 C ATOM 677 CD LYS A 42 -10.527 6.986 2.232 1.00 0.00 C ATOM 678 CE LYS A 42 -11.048 7.988 1.200 1.00 0.00 C ATOM 679 NZ LYS A 42 -9.943 8.902 0.794 1.00 0.00 N ATOM 0 H LYS A 42 -7.208 5.134 4.267 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.042 5.368 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.983 5.996 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.271 4.402 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.569 6.074 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.669 5.007 1.370 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.340 6.660 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.781 7.460 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.437 7.460 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.874 8.562 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.296 9.584 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.592 9.414 1.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.168 8.347 0.378 1.00 0.00 H new ATOM 693 N VAL A 43 -10.915 3.100 3.091 1.00 0.00 N ATOM 694 CA VAL A 43 -11.458 1.716 2.947 1.00 0.00 C ATOM 695 C VAL A 43 -12.010 1.530 1.532 1.00 0.00 C ATOM 696 O VAL A 43 -12.875 2.264 1.092 1.00 0.00 O ATOM 697 CB VAL A 43 -12.580 1.500 3.966 1.00 0.00 C ATOM 698 CG1 VAL A 43 -13.034 0.040 3.925 1.00 0.00 C ATOM 699 CG2 VAL A 43 -12.063 1.833 5.367 1.00 0.00 C ATOM 0 H VAL A 43 -11.541 3.844 2.782 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.662 0.992 3.124 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.422 2.148 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -13.833 -0.113 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -13.400 -0.199 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.193 -0.609 4.169 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -12.860 1.680 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.222 1.183 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.739 2.873 5.397 1.00 0.00 H new ATOM 709 N ASN A 44 -11.515 0.550 0.819 1.00 0.00 N ATOM 710 CA ASN A 44 -12.003 0.307 -0.571 1.00 0.00 C ATOM 711 C ASN A 44 -13.068 -0.793 -0.552 1.00 0.00 C ATOM 712 O ASN A 44 -13.326 -1.399 0.471 1.00 0.00 O ATOM 713 CB ASN A 44 -10.833 -0.133 -1.452 1.00 0.00 C ATOM 714 CG ASN A 44 -11.100 0.283 -2.901 1.00 0.00 C ATOM 715 OD1 ASN A 44 -11.769 1.266 -3.149 1.00 0.00 O ATOM 716 ND2 ASN A 44 -10.601 -0.431 -3.873 1.00 0.00 N ATOM 0 H ASN A 44 -10.792 -0.093 1.141 1.00 0.00 H new ATOM 0 HA ASN A 44 -12.434 1.225 -0.971 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.907 0.319 -1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.704 -1.214 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.773 -0.164 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.039 -1.256 -3.663 1.00 0.00 H new ATOM 723 N TYR A 45 -13.685 -1.052 -1.677 1.00 0.00 N ATOM 724 CA TYR A 45 -14.734 -2.110 -1.736 1.00 0.00 C ATOM 725 C TYR A 45 -14.852 -2.633 -3.170 1.00 0.00 C ATOM 726 O TYR A 45 -15.274 -1.924 -4.064 1.00 0.00 O ATOM 727 CB TYR A 45 -16.077 -1.522 -1.297 1.00 0.00 C ATOM 728 CG TYR A 45 -16.055 -1.272 0.192 1.00 0.00 C ATOM 729 CD1 TYR A 45 -15.962 -2.349 1.081 1.00 0.00 C ATOM 730 CD2 TYR A 45 -16.128 0.038 0.683 1.00 0.00 C ATOM 731 CE1 TYR A 45 -15.943 -2.118 2.462 1.00 0.00 C ATOM 732 CE2 TYR A 45 -16.107 0.270 2.064 1.00 0.00 C ATOM 733 CZ TYR A 45 -16.015 -0.808 2.953 1.00 0.00 C ATOM 734 OH TYR A 45 -15.997 -0.580 4.314 1.00 0.00 O ATOM 0 H TYR A 45 -13.505 -0.573 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.460 -2.929 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.270 -0.591 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -16.886 -2.207 -1.549 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.905 -3.359 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.200 0.869 -0.003 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.873 -2.949 3.148 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -16.162 1.280 2.443 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.053 0.383 4.485 1.00 0.00 H new ATOM 744 N ASN A 46 -14.481 -3.868 -3.391 1.00 0.00 N ATOM 745 CA ASN A 46 -14.567 -4.447 -4.764 1.00 0.00 C ATOM 746 C ASN A 46 -15.807 -5.339 -4.865 1.00 0.00 C ATOM 747 O ASN A 46 -15.810 -6.334 -5.566 1.00 0.00 O ATOM 748 CB ASN A 46 -13.314 -5.281 -5.045 1.00 0.00 C ATOM 749 CG ASN A 46 -13.128 -6.316 -3.935 1.00 0.00 C ATOM 750 OD1 ASN A 46 -12.560 -6.021 -2.903 1.00 0.00 O ATOM 751 ND2 ASN A 46 -13.586 -7.526 -4.104 1.00 0.00 N ATOM 0 H ASN A 46 -14.121 -4.502 -2.677 1.00 0.00 H new ATOM 0 HA ASN A 46 -14.639 -3.641 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.406 -5.780 -6.010 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -12.439 -4.633 -5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.467 -8.224 -3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.063 -7.774 -4.971 1.00 0.00 H new ATOM 758 N GLY A 47 -16.858 -4.987 -4.170 1.00 0.00 N ATOM 759 CA GLY A 47 -18.104 -5.808 -4.218 1.00 0.00 C ATOM 760 C GLY A 47 -18.203 -6.663 -2.954 1.00 0.00 C ATOM 761 O GLY A 47 -18.071 -7.872 -3.003 1.00 0.00 O ATOM 0 H GLY A 47 -16.907 -4.164 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -18.976 -5.159 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.097 -6.446 -5.102 1.00 0.00 H new ATOM 765 N PHE A 48 -18.435 -6.043 -1.826 1.00 0.00 N ATOM 766 CA PHE A 48 -18.544 -6.812 -0.550 1.00 0.00 C ATOM 767 C PHE A 48 -19.918 -7.483 -0.475 1.00 0.00 C ATOM 768 O PHE A 48 -20.894 -6.978 -0.998 1.00 0.00 O ATOM 769 CB PHE A 48 -18.374 -5.860 0.638 1.00 0.00 C ATOM 770 CG PHE A 48 -19.352 -4.716 0.518 1.00 0.00 C ATOM 771 CD1 PHE A 48 -20.697 -4.905 0.859 1.00 0.00 C ATOM 772 CD2 PHE A 48 -18.915 -3.466 0.064 1.00 0.00 C ATOM 773 CE1 PHE A 48 -21.603 -3.844 0.746 1.00 0.00 C ATOM 774 CE2 PHE A 48 -19.821 -2.405 -0.048 1.00 0.00 C ATOM 775 CZ PHE A 48 -21.166 -2.594 0.293 1.00 0.00 C ATOM 0 H PHE A 48 -18.554 -5.034 -1.733 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.765 -7.574 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -18.540 -6.396 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.354 -5.477 0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -21.035 -5.869 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -17.878 -3.320 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -22.640 -3.990 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -19.483 -1.441 -0.397 1.00 0.00 H new ATOM 0 HZ PHE A 48 -21.866 -1.776 0.206 1.00 0.00 H new ATOM 785 N SER A 49 -19.997 -8.618 0.173 1.00 0.00 N ATOM 786 CA SER A 49 -21.303 -9.331 0.289 1.00 0.00 C ATOM 787 C SER A 49 -21.541 -9.726 1.747 1.00 0.00 C ATOM 788 O SER A 49 -22.165 -10.732 2.032 1.00 0.00 O ATOM 789 CB SER A 49 -21.277 -10.587 -0.582 1.00 0.00 C ATOM 790 OG SER A 49 -22.605 -10.926 -0.958 1.00 0.00 O ATOM 0 H SER A 49 -19.210 -9.082 0.627 1.00 0.00 H new ATOM 0 HA SER A 49 -22.106 -8.674 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 49 -20.668 -10.415 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 49 -20.819 -11.412 -0.036 1.00 0.00 H new ATOM 0 HG SER A 49 -22.591 -11.730 -1.518 1.00 0.00 H new ATOM 796 N GLY A 50 -21.047 -8.942 2.671 1.00 0.00 N ATOM 797 CA GLY A 50 -21.239 -9.263 4.116 1.00 0.00 C ATOM 798 C GLY A 50 -19.907 -9.710 4.721 1.00 0.00 C ATOM 799 O GLY A 50 -18.861 -9.563 4.118 1.00 0.00 O ATOM 0 H GLY A 50 -20.517 -8.090 2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -21.616 -8.389 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -21.984 -10.050 4.229 1.00 0.00 H new ATOM 803 N SER A 51 -19.940 -10.254 5.913 1.00 0.00 N ATOM 804 CA SER A 51 -18.680 -10.717 6.573 1.00 0.00 C ATOM 805 C SER A 51 -17.721 -9.535 6.744 1.00 0.00 C ATOM 806 O SER A 51 -17.990 -8.437 6.292 1.00 0.00 O ATOM 807 CB SER A 51 -18.013 -11.794 5.714 1.00 0.00 C ATOM 808 OG SER A 51 -18.443 -13.076 6.153 1.00 0.00 O ATOM 0 H SER A 51 -20.789 -10.398 6.459 1.00 0.00 H new ATOM 0 HA SER A 51 -18.921 -11.132 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.271 -11.650 4.665 1.00 0.00 H new ATOM 0 HB3 SER A 51 -16.928 -11.716 5.789 1.00 0.00 H new ATOM 0 HG SER A 51 -18.019 -13.769 5.604 1.00 0.00 H new ATOM 814 N ALA A 52 -16.606 -9.754 7.393 1.00 0.00 N ATOM 815 CA ALA A 52 -15.624 -8.650 7.600 1.00 0.00 C ATOM 816 C ALA A 52 -14.411 -8.871 6.693 1.00 0.00 C ATOM 817 O ALA A 52 -13.514 -9.627 7.017 1.00 0.00 O ATOM 818 CB ALA A 52 -15.171 -8.635 9.061 1.00 0.00 C ATOM 0 H ALA A 52 -16.334 -10.653 7.789 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.093 -7.697 7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.454 -7.828 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.034 -8.478 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.702 -9.588 9.306 1.00 0.00 H new ATOM 824 N GLY A 53 -14.380 -8.215 5.561 1.00 0.00 N ATOM 825 CA GLY A 53 -13.228 -8.380 4.625 1.00 0.00 C ATOM 826 C GLY A 53 -12.566 -7.022 4.384 1.00 0.00 C ATOM 827 O GLY A 53 -11.677 -6.620 5.112 1.00 0.00 O ATOM 0 H GLY A 53 -15.105 -7.571 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.504 -9.080 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.571 -8.802 3.680 1.00 0.00 H new ATOM 831 N GLY A 54 -12.994 -6.316 3.370 1.00 0.00 N ATOM 832 CA GLY A 54 -12.397 -4.981 3.074 1.00 0.00 C ATOM 833 C GLY A 54 -10.947 -5.159 2.621 1.00 0.00 C ATOM 834 O GLY A 54 -10.468 -6.267 2.467 1.00 0.00 O ATOM 0 H GLY A 54 -13.734 -6.608 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.973 -4.478 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.437 -4.348 3.961 1.00 0.00 H new ATOM 838 N LEU A 55 -10.247 -4.074 2.405 1.00 0.00 N ATOM 839 CA LEU A 55 -8.826 -4.168 1.960 1.00 0.00 C ATOM 840 C LEU A 55 -7.916 -3.565 3.033 1.00 0.00 C ATOM 841 O LEU A 55 -7.263 -4.271 3.777 1.00 0.00 O ATOM 842 CB LEU A 55 -8.648 -3.396 0.648 1.00 0.00 C ATOM 843 CG LEU A 55 -9.199 -4.218 -0.518 1.00 0.00 C ATOM 844 CD1 LEU A 55 -10.720 -4.336 -0.389 1.00 0.00 C ATOM 845 CD2 LEU A 55 -8.853 -3.519 -1.835 1.00 0.00 C ATOM 0 H LEU A 55 -10.601 -3.124 2.519 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.563 -5.214 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.166 -2.439 0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.593 -3.178 0.484 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.757 -5.214 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.111 -4.922 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.968 -4.829 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.165 -3.341 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.244 -4.101 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.298 -2.524 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.770 -3.433 -1.928 1.00 0.00 H new ATOM 857 N ASN A 56 -7.867 -2.256 3.112 1.00 0.00 N ATOM 858 CA ASN A 56 -7.003 -1.575 4.128 1.00 0.00 C ATOM 859 C ASN A 56 -5.515 -1.859 3.857 1.00 0.00 C ATOM 860 O ASN A 56 -4.672 -1.563 4.683 1.00 0.00 O ATOM 861 CB ASN A 56 -7.364 -2.061 5.538 1.00 0.00 C ATOM 862 CG ASN A 56 -8.878 -1.963 5.745 1.00 0.00 C ATOM 863 OD1 ASN A 56 -9.521 -2.937 6.083 1.00 0.00 O ATOM 864 ND2 ASN A 56 -9.477 -0.819 5.555 1.00 0.00 N ATOM 0 H ASN A 56 -8.395 -1.624 2.509 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.177 -0.501 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.034 -3.091 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.845 -1.459 6.285 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.485 -0.742 5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.937 -0.002 5.271 1.00 0.00 H new ATOM 871 N THR A 57 -5.181 -2.409 2.710 1.00 0.00 N ATOM 872 CA THR A 57 -3.747 -2.691 2.397 1.00 0.00 C ATOM 873 C THR A 57 -3.563 -2.729 0.877 1.00 0.00 C ATOM 874 O THR A 57 -4.295 -3.398 0.174 1.00 0.00 O ATOM 875 CB THR A 57 -3.330 -4.040 2.995 1.00 0.00 C ATOM 876 OG1 THR A 57 -4.179 -5.062 2.493 1.00 0.00 O ATOM 877 CG2 THR A 57 -3.442 -3.985 4.520 1.00 0.00 C ATOM 0 H THR A 57 -5.842 -2.673 1.980 1.00 0.00 H new ATOM 0 HA THR A 57 -3.125 -1.906 2.828 1.00 0.00 H new ATOM 0 HB THR A 57 -2.298 -4.255 2.718 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.525 -4.798 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.145 -4.945 4.942 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.789 -3.202 4.905 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.472 -3.768 4.802 1.00 0.00 H new ATOM 885 N ASN A 58 -2.594 -2.009 0.368 1.00 0.00 N ATOM 886 CA ASN A 58 -2.362 -1.996 -1.107 1.00 0.00 C ATOM 887 C ASN A 58 -0.957 -2.519 -1.415 1.00 0.00 C ATOM 888 O ASN A 58 0.026 -2.014 -0.908 1.00 0.00 O ATOM 889 CB ASN A 58 -2.494 -0.564 -1.629 1.00 0.00 C ATOM 890 CG ASN A 58 -2.856 -0.594 -3.115 1.00 0.00 C ATOM 891 OD1 ASN A 58 -2.361 -1.418 -3.857 1.00 0.00 O ATOM 892 ND2 ASN A 58 -3.705 0.280 -3.585 1.00 0.00 N ATOM 0 H ASN A 58 -1.954 -1.430 0.912 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.100 -2.635 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.261 -0.030 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.558 -0.025 -1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.952 0.270 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.121 0.972 -2.962 1.00 0.00 H new ATOM 899 N ASN A 59 -0.859 -3.524 -2.248 1.00 0.00 N ATOM 900 CA ASN A 59 0.478 -4.083 -2.602 1.00 0.00 C ATOM 901 C ASN A 59 1.295 -3.016 -3.333 1.00 0.00 C ATOM 902 O ASN A 59 0.751 -2.188 -4.035 1.00 0.00 O ATOM 903 CB ASN A 59 0.299 -5.299 -3.513 1.00 0.00 C ATOM 904 CG ASN A 59 -0.567 -6.345 -2.809 1.00 0.00 C ATOM 905 OD1 ASN A 59 -1.753 -6.152 -2.634 1.00 0.00 O ATOM 906 ND2 ASN A 59 -0.019 -7.455 -2.394 1.00 0.00 N ATOM 0 H ASN A 59 -1.651 -3.982 -2.699 1.00 0.00 H new ATOM 0 HA ASN A 59 0.999 -4.385 -1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.167 -4.998 -4.451 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.271 -5.725 -3.763 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.587 -8.159 -1.923 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.977 -7.618 -2.541 1.00 0.00 H new ATOM 913 N PHE A 60 2.596 -3.039 -3.181 1.00 0.00 N ATOM 914 CA PHE A 60 3.460 -2.035 -3.869 1.00 0.00 C ATOM 915 C PHE A 60 4.893 -2.564 -3.944 1.00 0.00 C ATOM 916 O PHE A 60 5.359 -3.248 -3.049 1.00 0.00 O ATOM 917 CB PHE A 60 3.456 -0.716 -3.086 1.00 0.00 C ATOM 918 CG PHE A 60 2.182 0.051 -3.364 1.00 0.00 C ATOM 919 CD1 PHE A 60 1.753 0.260 -4.683 1.00 0.00 C ATOM 920 CD2 PHE A 60 1.429 0.554 -2.299 1.00 0.00 C ATOM 921 CE1 PHE A 60 0.573 0.970 -4.931 1.00 0.00 C ATOM 922 CE2 PHE A 60 0.250 1.264 -2.548 1.00 0.00 C ATOM 923 CZ PHE A 60 -0.178 1.471 -3.862 1.00 0.00 C ATOM 0 H PHE A 60 3.098 -3.715 -2.606 1.00 0.00 H new ATOM 0 HA PHE A 60 3.073 -1.862 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.542 -0.918 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.320 -0.115 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.334 -0.127 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.758 0.394 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.242 1.131 -5.946 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.330 1.653 -1.724 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.089 2.018 -4.053 1.00 0.00 H new ATOM 933 N ALA A 61 5.595 -2.245 -4.999 1.00 0.00 N ATOM 934 CA ALA A 61 7.005 -2.713 -5.135 1.00 0.00 C ATOM 935 C ALA A 61 7.907 -1.803 -4.300 1.00 0.00 C ATOM 936 O ALA A 61 7.484 -0.760 -3.836 1.00 0.00 O ATOM 937 CB ALA A 61 7.429 -2.639 -6.603 1.00 0.00 C ATOM 0 H ALA A 61 5.251 -1.679 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 61 7.089 -3.743 -4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.459 -2.981 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.777 -3.274 -7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.354 -1.609 -6.952 1.00 0.00 H new ATOM 943 N GLU A 62 9.142 -2.186 -4.104 1.00 0.00 N ATOM 944 CA GLU A 62 10.072 -1.340 -3.299 1.00 0.00 C ATOM 945 C GLU A 62 10.268 0.010 -3.993 1.00 0.00 C ATOM 946 O GLU A 62 10.196 1.054 -3.372 1.00 0.00 O ATOM 947 CB GLU A 62 11.423 -2.047 -3.165 1.00 0.00 C ATOM 948 CG GLU A 62 11.250 -3.342 -2.366 1.00 0.00 C ATOM 949 CD GLU A 62 11.090 -4.521 -3.327 1.00 0.00 C ATOM 950 OE1 GLU A 62 12.072 -4.886 -3.953 1.00 0.00 O ATOM 951 OE2 GLU A 62 9.990 -5.039 -3.421 1.00 0.00 O ATOM 0 H GLU A 62 9.547 -3.049 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 62 9.647 -1.180 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.828 -2.269 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.139 -1.393 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.114 -3.501 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.377 -3.267 -1.718 1.00 0.00 H new ATOM 958 N HIS A 63 10.514 -0.006 -5.279 1.00 0.00 N ATOM 959 CA HIS A 63 10.719 1.271 -6.028 1.00 0.00 C ATOM 960 C HIS A 63 9.392 2.035 -6.151 1.00 0.00 C ATOM 961 O HIS A 63 9.381 3.216 -6.444 1.00 0.00 O ATOM 962 CB HIS A 63 11.258 0.960 -7.426 1.00 0.00 C ATOM 963 CG HIS A 63 10.342 -0.015 -8.117 1.00 0.00 C ATOM 964 ND1 HIS A 63 10.721 -1.321 -8.385 1.00 0.00 N ATOM 965 CD2 HIS A 63 9.064 0.113 -8.599 1.00 0.00 C ATOM 966 CE1 HIS A 63 9.687 -1.922 -9.003 1.00 0.00 C ATOM 967 NE2 HIS A 63 8.652 -1.094 -9.158 1.00 0.00 N ATOM 0 H HIS A 63 10.582 -0.852 -5.844 1.00 0.00 H new ATOM 0 HA HIS A 63 11.434 1.889 -5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.335 1.878 -8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.262 0.543 -7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.468 1.013 -8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.694 -2.950 -9.333 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.753 -1.301 -9.592 1.00 0.00 H new ATOM 975 N GLU A 64 8.277 1.376 -5.937 1.00 0.00 N ATOM 976 CA GLU A 64 6.959 2.071 -6.048 1.00 0.00 C ATOM 977 C GLU A 64 6.671 2.878 -4.773 1.00 0.00 C ATOM 978 O GLU A 64 5.794 3.725 -4.756 1.00 0.00 O ATOM 979 CB GLU A 64 5.853 1.032 -6.249 1.00 0.00 C ATOM 980 CG GLU A 64 5.764 0.662 -7.731 1.00 0.00 C ATOM 981 CD GLU A 64 4.389 0.058 -8.026 1.00 0.00 C ATOM 982 OE1 GLU A 64 3.865 -0.623 -7.161 1.00 0.00 O ATOM 983 OE2 GLU A 64 3.886 0.287 -9.114 1.00 0.00 O ATOM 0 H GLU A 64 8.225 0.388 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 64 6.990 2.752 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.061 0.143 -5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.898 1.430 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.924 1.546 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.548 -0.051 -7.986 1.00 0.00 H new ATOM 990 N LEU A 65 7.396 2.624 -3.707 1.00 0.00 N ATOM 991 CA LEU A 65 7.157 3.375 -2.440 1.00 0.00 C ATOM 992 C LEU A 65 8.274 4.403 -2.239 1.00 0.00 C ATOM 993 O LEU A 65 9.376 4.238 -2.729 1.00 0.00 O ATOM 994 CB LEU A 65 7.149 2.399 -1.261 1.00 0.00 C ATOM 995 CG LEU A 65 6.135 1.282 -1.518 1.00 0.00 C ATOM 996 CD1 LEU A 65 6.526 0.045 -0.708 1.00 0.00 C ATOM 997 CD2 LEU A 65 4.743 1.751 -1.089 1.00 0.00 C ATOM 0 H LEU A 65 8.141 1.929 -3.664 1.00 0.00 H new ATOM 0 HA LEU A 65 6.196 3.886 -2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.143 1.975 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.896 2.927 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 65 6.126 1.035 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.805 -0.752 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.519 -0.289 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.533 0.293 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.019 0.957 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.753 1.996 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.464 2.635 -1.663 1.00 0.00 H new ATOM 1009 N GLU A 66 7.994 5.458 -1.518 1.00 0.00 N ATOM 1010 CA GLU A 66 9.032 6.502 -1.273 1.00 0.00 C ATOM 1011 C GLU A 66 9.135 6.766 0.230 1.00 0.00 C ATOM 1012 O GLU A 66 8.527 7.681 0.751 1.00 0.00 O ATOM 1013 CB GLU A 66 8.638 7.795 -1.992 1.00 0.00 C ATOM 1014 CG GLU A 66 9.898 8.537 -2.436 1.00 0.00 C ATOM 1015 CD GLU A 66 10.496 7.843 -3.661 1.00 0.00 C ATOM 1016 OE1 GLU A 66 9.734 7.470 -4.538 1.00 0.00 O ATOM 1017 OE2 GLU A 66 11.707 7.696 -3.702 1.00 0.00 O ATOM 0 H GLU A 66 7.088 5.641 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 66 9.994 6.157 -1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.014 7.567 -2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.046 8.426 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.658 9.573 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.626 8.557 -1.625 1.00 0.00 H new ATOM 1024 N VAL A 67 9.901 5.967 0.932 1.00 0.00 N ATOM 1025 CA VAL A 67 10.050 6.157 2.410 1.00 0.00 C ATOM 1026 C VAL A 67 10.533 7.582 2.707 1.00 0.00 C ATOM 1027 O VAL A 67 11.645 7.951 2.378 1.00 0.00 O ATOM 1028 CB VAL A 67 11.066 5.144 2.951 1.00 0.00 C ATOM 1029 CG1 VAL A 67 11.158 5.267 4.475 1.00 0.00 C ATOM 1030 CG2 VAL A 67 10.621 3.724 2.582 1.00 0.00 C ATOM 0 H VAL A 67 10.432 5.188 0.544 1.00 0.00 H new ATOM 0 HA VAL A 67 9.086 6.001 2.894 1.00 0.00 H new ATOM 0 HB VAL A 67 12.043 5.347 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.881 4.545 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.477 6.275 4.740 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.181 5.068 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.344 3.005 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.642 3.524 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.560 3.632 1.498 1.00 0.00 H new ATOM 1040 N VAL A 68 9.702 8.379 3.329 1.00 0.00 N ATOM 1041 CA VAL A 68 10.099 9.779 3.654 1.00 0.00 C ATOM 1042 C VAL A 68 10.023 9.995 5.167 1.00 0.00 C ATOM 1043 O VAL A 68 9.762 11.088 5.634 1.00 0.00 O ATOM 1044 CB VAL A 68 9.152 10.755 2.950 1.00 0.00 C ATOM 1045 CG1 VAL A 68 9.334 10.642 1.435 1.00 0.00 C ATOM 1046 CG2 VAL A 68 7.705 10.411 3.314 1.00 0.00 C ATOM 0 H VAL A 68 8.762 8.118 3.626 1.00 0.00 H new ATOM 0 HA VAL A 68 11.120 9.954 3.314 1.00 0.00 H new ATOM 0 HB VAL A 68 9.378 11.773 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.660 11.337 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.364 10.884 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.108 9.624 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.029 11.105 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.482 9.393 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.573 10.490 4.393 1.00 0.00 H new ATOM 1056 N GLY A 69 10.248 8.959 5.935 1.00 0.00 N ATOM 1057 CA GLY A 69 10.191 9.093 7.420 1.00 0.00 C ATOM 1058 C GLY A 69 11.488 9.724 7.928 1.00 0.00 C ATOM 1059 O GLY A 69 12.498 9.040 7.921 1.00 0.00 O ATOM 1060 OXT GLY A 69 11.449 10.880 8.315 1.00 0.00 O ATOM 0 H GLY A 69 10.469 8.023 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.338 9.708 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.047 8.115 7.878 1.00 0.00 H new TER 1064 GLY A 69