USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -175:sc= -0.0289 (180deg=-0.0784) USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0571) USER MOD Single : A 13 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.15) USER MOD Single : A 18 ASN : amide:sc= 0.869 K(o=0.87,f=-0.026) USER MOD Single : A 21 LYS NZ :NH3+ -154:sc= 0.994 (180deg=0.522) USER MOD Single : A 23 LYS NZ :NH3+ 145:sc= 1.01 (180deg=0.451) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.67 K(o=0.67,f=-0.006) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 0.218 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 165:sc= -0.243 (180deg=-0.991) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 58 SER OG : rot 170:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.126 11.846 -4.807 1.00 0.00 N ATOM 35 CA LEU A 3 -9.115 12.314 -5.759 1.00 0.00 C ATOM 36 C LEU A 3 -9.404 11.981 -7.237 1.00 0.00 C ATOM 37 O LEU A 3 -10.377 11.299 -7.580 1.00 0.00 O ATOM 38 CB LEU A 3 -7.750 11.750 -5.308 1.00 0.00 C ATOM 39 CG LEU A 3 -7.238 12.332 -3.980 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.800 11.883 -3.726 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.236 13.857 -3.997 1.00 0.00 C ATOM 0 HA LEU A 3 -9.123 13.404 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.831 10.667 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.013 11.946 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.909 11.972 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.449 12.302 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.762 10.795 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.161 12.232 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.868 14.231 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.588 14.211 -4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.250 14.220 -4.162 1.00 0.00 H new ATOM 52 N THR A 4 -8.546 12.513 -8.115 1.00 0.00 N ATOM 53 CA THR A 4 -8.595 12.326 -9.580 1.00 0.00 C ATOM 54 C THR A 4 -8.199 10.903 -10.010 1.00 0.00 C ATOM 55 O THR A 4 -8.063 9.995 -9.183 1.00 0.00 O ATOM 56 CB THR A 4 -7.726 13.370 -10.310 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.370 13.194 -9.970 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.138 14.809 -10.013 1.00 0.00 C ATOM 0 H THR A 4 -7.770 13.106 -7.821 1.00 0.00 H new ATOM 0 HA THR A 4 -9.635 12.474 -9.870 1.00 0.00 H new ATOM 0 HB THR A 4 -7.877 13.205 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.826 13.860 -10.440 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.487 15.493 -10.557 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.171 14.964 -10.326 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.051 14.999 -8.943 1.00 0.00 H new ATOM 66 N GLN A 5 -7.992 10.698 -11.316 1.00 0.00 N ATOM 67 CA GLN A 5 -7.452 9.470 -11.913 1.00 0.00 C ATOM 68 C GLN A 5 -6.177 8.936 -11.235 1.00 0.00 C ATOM 69 O GLN A 5 -5.920 7.729 -11.292 1.00 0.00 O ATOM 70 CB GLN A 5 -7.219 9.704 -13.416 1.00 0.00 C ATOM 71 CG GLN A 5 -6.077 10.687 -13.745 1.00 0.00 C ATOM 72 CD GLN A 5 -5.971 10.951 -15.249 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.820 10.047 -16.063 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.032 12.195 -15.682 1.00 0.00 N ATOM 0 H GLN A 5 -8.204 11.411 -12.014 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.196 8.689 -11.755 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.004 8.746 -13.890 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.142 10.079 -13.859 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.245 11.628 -13.222 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.133 10.283 -13.379 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.157 12.960 -15.019 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.954 12.392 -16.680 1.00 0.00 H new ATOM 81 N GLY A 6 -5.394 9.802 -10.574 1.00 0.00 N ATOM 82 CA GLY A 6 -4.233 9.379 -9.811 1.00 0.00 C ATOM 83 C GLY A 6 -3.533 10.466 -8.995 1.00 0.00 C ATOM 84 O GLY A 6 -2.309 10.441 -8.945 1.00 0.00 O ATOM 0 H GLY A 6 -5.555 10.809 -10.560 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.540 8.584 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.508 8.947 -10.501 1.00 0.00 H new ATOM 88 N GLU A 7 -4.230 11.399 -8.329 1.00 0.00 N ATOM 89 CA GLU A 7 -3.609 12.477 -7.553 1.00 0.00 C ATOM 90 C GLU A 7 -2.752 11.968 -6.376 1.00 0.00 C ATOM 91 O GLU A 7 -1.932 12.710 -5.852 1.00 0.00 O ATOM 92 CB GLU A 7 -4.687 13.469 -7.072 1.00 0.00 C ATOM 93 CG GLU A 7 -4.462 14.862 -7.675 1.00 0.00 C ATOM 94 CD GLU A 7 -5.350 15.949 -7.038 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.593 15.786 -6.991 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.809 16.998 -6.609 1.00 0.00 O ATOM 0 H GLU A 7 -5.250 11.424 -8.315 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.917 12.992 -8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.674 13.103 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.668 13.533 -5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.415 15.139 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.658 14.823 -8.746 1.00 0.00 H new ATOM 101 N LEU A 8 -2.875 10.694 -5.997 1.00 0.00 N ATOM 102 CA LEU A 8 -1.975 10.005 -5.061 1.00 0.00 C ATOM 103 C LEU A 8 -1.117 8.915 -5.732 1.00 0.00 C ATOM 104 O LEU A 8 -0.084 8.524 -5.196 1.00 0.00 O ATOM 105 CB LEU A 8 -2.811 9.510 -3.864 1.00 0.00 C ATOM 106 CG LEU A 8 -3.701 8.281 -4.152 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.043 7.013 -3.613 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.077 8.393 -3.493 1.00 0.00 C ATOM 0 H LEU A 8 -3.624 10.093 -6.341 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.227 10.706 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.135 9.266 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.446 10.327 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.821 8.238 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.681 6.155 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.075 6.872 -4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.902 7.106 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.665 7.505 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.957 8.477 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.591 9.277 -3.871 1.00 0.00 H new ATOM 119 N MET A 9 -1.482 8.462 -6.937 1.00 0.00 N ATOM 120 CA MET A 9 -0.770 7.435 -7.711 1.00 0.00 C ATOM 121 C MET A 9 0.582 7.967 -8.163 1.00 0.00 C ATOM 122 O MET A 9 1.635 7.527 -7.705 1.00 0.00 O ATOM 123 CB MET A 9 -1.653 6.974 -8.896 1.00 0.00 C ATOM 124 CG MET A 9 -0.926 6.473 -10.150 1.00 0.00 C ATOM 125 SD MET A 9 -1.956 5.603 -11.366 1.00 0.00 S ATOM 126 CE MET A 9 -2.272 4.040 -10.502 1.00 0.00 C ATOM 0 H MET A 9 -2.310 8.812 -7.418 1.00 0.00 H new ATOM 0 HA MET A 9 -0.577 6.562 -7.088 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.307 6.177 -8.542 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.294 7.807 -9.186 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.459 7.326 -10.642 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.122 5.806 -9.839 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.819 3.365 -11.160 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.324 3.583 -10.219 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.864 4.232 -9.607 1.00 0.00 H new ATOM 134 N LYS A 10 0.549 8.955 -9.050 1.00 0.00 N ATOM 135 CA LYS A 10 1.717 9.517 -9.752 1.00 0.00 C ATOM 136 C LYS A 10 2.602 10.416 -8.863 1.00 0.00 C ATOM 137 O LYS A 10 3.381 11.230 -9.361 1.00 0.00 O ATOM 138 CB LYS A 10 1.198 10.176 -11.051 1.00 0.00 C ATOM 139 CG LYS A 10 0.216 11.341 -10.818 1.00 0.00 C ATOM 140 CD LYS A 10 -0.963 11.385 -11.806 1.00 0.00 C ATOM 141 CE LYS A 10 -1.797 12.663 -11.648 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.079 13.871 -12.133 1.00 0.00 N ATOM 0 H LYS A 10 -0.324 9.411 -9.317 1.00 0.00 H new ATOM 0 HA LYS A 10 2.417 8.725 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.049 10.542 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.706 9.417 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.178 11.271 -9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.764 12.281 -10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.584 11.323 -12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.600 10.515 -11.649 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.732 12.554 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.058 12.796 -10.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.732 14.680 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.283 14.080 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.719 13.699 -13.093 1.00 0.00 H new ATOM 152 N LEU A 11 2.454 10.271 -7.541 1.00 0.00 N ATOM 153 CA LEU A 11 3.024 11.056 -6.451 1.00 0.00 C ATOM 154 C LEU A 11 3.704 10.158 -5.423 1.00 0.00 C ATOM 155 O LEU A 11 4.769 10.538 -4.932 1.00 0.00 O ATOM 156 CB LEU A 11 1.934 11.871 -5.718 1.00 0.00 C ATOM 157 CG LEU A 11 1.287 13.042 -6.471 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.331 14.038 -6.969 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.470 12.573 -7.668 1.00 0.00 C ATOM 0 H LEU A 11 1.869 9.520 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 11 3.753 11.729 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.141 11.182 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.370 12.264 -4.800 1.00 0.00 H new ATOM 0 HG LEU A 11 0.628 13.526 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.834 14.852 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.884 14.440 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.021 13.534 -7.646 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.031 13.436 -8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.117 12.039 -8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.324 11.908 -7.328 1.00 0.00 H new ATOM 170 N ILE A 12 3.146 8.974 -5.106 1.00 0.00 N ATOM 171 CA ILE A 12 3.766 8.132 -4.063 1.00 0.00 C ATOM 172 C ILE A 12 5.182 7.707 -4.456 1.00 0.00 C ATOM 173 O ILE A 12 6.080 7.671 -3.617 1.00 0.00 O ATOM 174 CB ILE A 12 2.934 6.882 -3.726 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.452 6.114 -4.981 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.772 7.247 -2.797 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.665 4.610 -4.821 1.00 0.00 C ATOM 0 H ILE A 12 2.304 8.590 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 12 3.808 8.756 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 12 3.593 6.192 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.395 6.318 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.992 6.470 -5.858 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.194 6.352 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.164 7.671 -1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.130 7.978 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.318 4.096 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.726 4.406 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.104 4.253 -3.957 1.00 0.00 H new ATOM 188 N LYS A 13 5.410 7.458 -5.749 1.00 0.00 N ATOM 189 CA LYS A 13 6.713 6.982 -6.257 1.00 0.00 C ATOM 190 C LYS A 13 7.628 8.113 -6.729 1.00 0.00 C ATOM 191 O LYS A 13 8.828 7.933 -6.899 1.00 0.00 O ATOM 192 CB LYS A 13 6.483 5.878 -7.304 1.00 0.00 C ATOM 193 CG LYS A 13 5.516 6.202 -8.459 1.00 0.00 C ATOM 194 CD LYS A 13 6.014 7.192 -9.528 1.00 0.00 C ATOM 195 CE LYS A 13 7.368 6.803 -10.132 1.00 0.00 C ATOM 196 NZ LYS A 13 7.759 7.731 -11.223 1.00 0.00 N ATOM 0 H LYS A 13 4.704 7.578 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 13 7.269 6.541 -5.430 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.449 5.613 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.110 4.993 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.257 5.267 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.597 6.600 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.274 7.257 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.094 8.185 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.131 6.811 -9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.317 5.785 -10.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.746 7.549 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.139 7.582 -12.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.667 8.713 -10.893 1.00 0.00 H new ATOM 206 N GLU A 14 7.065 9.301 -6.879 1.00 0.00 N ATOM 207 CA GLU A 14 7.691 10.507 -7.425 1.00 0.00 C ATOM 208 C GLU A 14 8.329 11.361 -6.321 1.00 0.00 C ATOM 209 O GLU A 14 9.212 12.172 -6.606 1.00 0.00 O ATOM 210 CB GLU A 14 6.619 11.302 -8.192 1.00 0.00 C ATOM 211 CG GLU A 14 7.167 12.321 -9.204 1.00 0.00 C ATOM 212 CD GLU A 14 7.981 11.690 -10.357 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.841 10.474 -10.639 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.767 12.424 -11.006 1.00 0.00 O ATOM 0 H GLU A 14 6.096 9.465 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 14 8.497 10.223 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.975 10.599 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.993 11.829 -7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.333 12.882 -9.627 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.798 13.037 -8.677 1.00 0.00 H new ATOM 219 N ILE A 15 7.945 11.128 -5.058 1.00 0.00 N ATOM 220 CA ILE A 15 8.588 11.687 -3.871 1.00 0.00 C ATOM 221 C ILE A 15 9.435 10.613 -3.189 1.00 0.00 C ATOM 222 O ILE A 15 10.598 10.871 -2.894 1.00 0.00 O ATOM 223 CB ILE A 15 7.562 12.346 -2.921 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.602 11.337 -2.246 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.767 13.431 -3.668 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.015 11.039 -0.801 1.00 0.00 C ATOM 0 H ILE A 15 7.153 10.526 -4.832 1.00 0.00 H new ATOM 0 HA ILE A 15 9.259 12.491 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 15 8.137 12.800 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.588 11.736 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.588 10.410 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.048 13.888 -2.988 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.452 14.194 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.238 12.981 -4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.316 10.327 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.019 10.616 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.004 11.962 -0.222 1.00 0.00 H new ATOM 237 N VAL A 16 8.927 9.386 -2.989 1.00 0.00 N ATOM 238 CA VAL A 16 9.679 8.368 -2.241 1.00 0.00 C ATOM 239 C VAL A 16 10.961 7.980 -2.977 1.00 0.00 C ATOM 240 O VAL A 16 11.997 7.783 -2.339 1.00 0.00 O ATOM 241 CB VAL A 16 8.839 7.112 -1.945 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.686 6.027 -1.272 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.685 7.428 -0.992 1.00 0.00 C ATOM 0 H VAL A 16 8.015 9.079 -3.328 1.00 0.00 H new ATOM 0 HA VAL A 16 9.941 8.820 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 16 8.459 6.765 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.067 5.152 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.509 5.748 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.085 6.408 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.111 6.521 -0.803 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.084 7.808 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.037 8.180 -1.442 1.00 0.00 H new ATOM 253 N GLU A 17 10.930 7.939 -4.317 1.00 0.00 N ATOM 254 CA GLU A 17 12.148 7.601 -5.087 1.00 0.00 C ATOM 255 C GLU A 17 13.060 8.823 -5.310 1.00 0.00 C ATOM 256 O GLU A 17 14.094 8.722 -5.977 1.00 0.00 O ATOM 257 CB GLU A 17 11.822 6.847 -6.388 1.00 0.00 C ATOM 258 CG GLU A 17 11.022 5.562 -6.097 1.00 0.00 C ATOM 259 CD GLU A 17 10.962 4.600 -7.297 1.00 0.00 C ATOM 260 OE1 GLU A 17 10.732 5.036 -8.452 1.00 0.00 O ATOM 261 OE2 GLU A 17 11.131 3.375 -7.071 1.00 0.00 O ATOM 0 H GLU A 17 10.102 8.129 -4.882 1.00 0.00 H new ATOM 0 HA GLU A 17 12.725 6.909 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.249 7.493 -7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.746 6.594 -6.907 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.471 5.046 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.007 5.832 -5.805 1.00 0.00 H new ATOM 266 N ASN A 18 12.711 9.968 -4.715 1.00 0.00 N ATOM 267 CA ASN A 18 13.429 11.235 -4.785 1.00 0.00 C ATOM 268 C ASN A 18 14.059 11.659 -3.441 1.00 0.00 C ATOM 269 O ASN A 18 14.933 12.530 -3.428 1.00 0.00 O ATOM 270 CB ASN A 18 12.445 12.305 -5.296 1.00 0.00 C ATOM 271 CG ASN A 18 12.797 12.823 -6.679 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.917 13.234 -6.960 1.00 0.00 O ATOM 273 ND2 ASN A 18 11.847 12.832 -7.585 1.00 0.00 N ATOM 0 H ASN A 18 11.871 10.034 -4.140 1.00 0.00 H new ATOM 0 HA ASN A 18 14.270 11.119 -5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.439 11.885 -5.316 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.428 13.139 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.041 13.181 -8.524 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.915 12.490 -7.350 1.00 0.00 H new ATOM 279 N GLU A 19 13.642 11.065 -2.315 1.00 0.00 N ATOM 280 CA GLU A 19 14.058 11.470 -0.967 1.00 0.00 C ATOM 281 C GLU A 19 15.250 10.642 -0.468 1.00 0.00 C ATOM 282 O GLU A 19 16.405 11.037 -0.648 1.00 0.00 O ATOM 283 CB GLU A 19 12.858 11.383 -0.009 1.00 0.00 C ATOM 284 CG GLU A 19 11.777 12.441 -0.257 1.00 0.00 C ATOM 285 CD GLU A 19 12.248 13.856 0.125 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.284 14.175 1.340 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.585 14.661 -0.777 1.00 0.00 O ATOM 0 H GLU A 19 12.995 10.276 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 19 14.399 12.505 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.409 10.394 -0.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.218 11.481 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.492 12.427 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.886 12.189 0.318 1.00 0.00 H new ATOM 292 N ASP A 20 14.988 9.485 0.144 1.00 0.00 N ATOM 293 CA ASP A 20 15.989 8.582 0.703 1.00 0.00 C ATOM 294 C ASP A 20 15.600 7.131 0.402 1.00 0.00 C ATOM 295 O ASP A 20 15.001 6.430 1.221 1.00 0.00 O ATOM 296 CB ASP A 20 16.168 8.827 2.212 1.00 0.00 C ATOM 297 CG ASP A 20 16.888 10.144 2.536 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.143 10.131 2.601 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.215 11.171 2.796 1.00 0.00 O ATOM 0 H ASP A 20 14.036 9.141 0.267 1.00 0.00 H new ATOM 0 HA ASP A 20 16.953 8.780 0.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.189 8.830 2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.731 7.999 2.643 1.00 0.00 H new ATOM 303 N LYS A 21 15.979 6.650 -0.784 1.00 0.00 N ATOM 304 CA LYS A 21 15.843 5.239 -1.196 1.00 0.00 C ATOM 305 C LYS A 21 16.597 4.255 -0.282 1.00 0.00 C ATOM 306 O LYS A 21 16.283 3.064 -0.267 1.00 0.00 O ATOM 307 CB LYS A 21 16.283 5.092 -2.664 1.00 0.00 C ATOM 308 CG LYS A 21 15.281 5.761 -3.621 1.00 0.00 C ATOM 309 CD LYS A 21 15.650 5.568 -5.101 1.00 0.00 C ATOM 310 CE LYS A 21 16.919 6.308 -5.550 1.00 0.00 C ATOM 311 NZ LYS A 21 16.775 7.784 -5.459 1.00 0.00 N ATOM 0 H LYS A 21 16.399 7.238 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 21 14.791 4.970 -1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.268 5.539 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.376 4.035 -2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.287 5.351 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.231 6.827 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.780 4.503 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.814 5.902 -5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 21 17.760 5.989 -4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 21 17.154 6.031 -6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 17.415 8.238 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.793 8.051 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.016 8.098 -4.497 1.00 0.00 H new ATOM 321 N ARG A 22 17.557 4.748 0.516 1.00 0.00 N ATOM 322 CA ARG A 22 18.312 4.006 1.551 1.00 0.00 C ATOM 323 C ARG A 22 17.632 3.993 2.924 1.00 0.00 C ATOM 324 O ARG A 22 18.070 3.274 3.825 1.00 0.00 O ATOM 325 CB ARG A 22 19.740 4.582 1.662 1.00 0.00 C ATOM 326 CG ARG A 22 20.482 4.707 0.319 1.00 0.00 C ATOM 327 CD ARG A 22 20.354 3.432 -0.521 1.00 0.00 C ATOM 328 NE ARG A 22 21.110 3.525 -1.785 1.00 0.00 N ATOM 329 CZ ARG A 22 22.391 3.263 -1.986 1.00 0.00 C ATOM 330 NH1 ARG A 22 23.186 2.883 -1.022 1.00 0.00 N ATOM 331 NH2 ARG A 22 22.908 3.379 -3.176 1.00 0.00 N ATOM 0 H ARG A 22 17.846 5.724 0.458 1.00 0.00 H new ATOM 0 HA ARG A 22 18.347 2.966 1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 22 19.686 5.567 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.324 3.947 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.082 5.553 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.536 4.917 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.715 2.580 0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.303 3.246 -0.740 1.00 0.00 H new ATOM 0 HE ARG A 22 20.581 3.828 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.824 2.779 -0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 22 24.168 2.690 -1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.324 3.673 -3.959 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.896 3.176 -3.325 1.00 0.00 H new ATOM 342 N LYS A 23 16.555 4.768 3.071 1.00 0.00 N ATOM 343 CA LYS A 23 15.720 4.928 4.283 1.00 0.00 C ATOM 344 C LYS A 23 14.241 5.173 3.893 1.00 0.00 C ATOM 345 O LYS A 23 13.753 6.303 4.029 1.00 0.00 O ATOM 346 CB LYS A 23 16.268 6.087 5.150 1.00 0.00 C ATOM 347 CG LYS A 23 17.730 5.940 5.612 1.00 0.00 C ATOM 348 CD LYS A 23 18.205 7.149 6.436 1.00 0.00 C ATOM 349 CE LYS A 23 18.241 8.459 5.633 1.00 0.00 C ATOM 350 NZ LYS A 23 19.310 8.476 4.602 1.00 0.00 N ATOM 0 H LYS A 23 16.213 5.342 2.300 1.00 0.00 H new ATOM 0 HA LYS A 23 15.762 4.010 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.176 7.014 4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.636 6.187 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.831 5.034 6.209 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.374 5.821 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.545 7.276 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.201 6.944 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.275 8.610 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.390 9.295 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.978 9.000 3.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.157 8.940 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.544 7.500 4.328 1.00 0.00 H new ATOM 360 N PRO A 24 13.517 4.160 3.375 1.00 0.00 N ATOM 361 CA PRO A 24 12.202 4.356 2.759 1.00 0.00 C ATOM 362 C PRO A 24 11.105 4.739 3.771 1.00 0.00 C ATOM 363 O PRO A 24 11.216 4.480 4.975 1.00 0.00 O ATOM 364 CB PRO A 24 11.887 3.024 2.069 1.00 0.00 C ATOM 365 CG PRO A 24 12.595 2.004 2.959 1.00 0.00 C ATOM 366 CD PRO A 24 13.864 2.745 3.373 1.00 0.00 C ATOM 0 HA PRO A 24 12.224 5.194 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.814 2.839 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.264 2.999 1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.988 1.728 3.821 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.821 1.084 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.200 2.424 4.359 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.679 2.543 2.677 1.00 0.00 H new ATOM 371 N TYR A 25 10.014 5.316 3.260 1.00 0.00 N ATOM 372 CA TYR A 25 8.751 5.528 3.983 1.00 0.00 C ATOM 373 C TYR A 25 7.946 4.209 4.093 1.00 0.00 C ATOM 374 O TYR A 25 8.413 3.137 3.692 1.00 0.00 O ATOM 375 CB TYR A 25 7.942 6.645 3.291 1.00 0.00 C ATOM 376 CG TYR A 25 8.627 8.002 3.187 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.564 8.264 2.166 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.290 9.025 4.093 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.163 9.535 2.048 1.00 0.00 C ATOM 380 CE2 TYR A 25 8.909 10.286 4.007 1.00 0.00 C ATOM 381 CZ TYR A 25 9.845 10.548 2.985 1.00 0.00 C ATOM 382 OH TYR A 25 10.422 11.778 2.920 1.00 0.00 O ATOM 0 H TYR A 25 9.982 5.661 2.301 1.00 0.00 H new ATOM 0 HA TYR A 25 8.968 5.847 5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.687 6.311 2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.004 6.774 3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.825 7.483 1.467 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.551 8.841 4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.860 9.735 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.667 11.055 4.725 1.00 0.00 H new ATOM 0 HH TYR A 25 10.078 12.339 3.646 1.00 0.00 H new ATOM 391 N SER A 26 6.723 4.279 4.623 1.00 0.00 N ATOM 392 CA SER A 26 5.747 3.179 4.700 1.00 0.00 C ATOM 393 C SER A 26 4.368 3.668 4.261 1.00 0.00 C ATOM 394 O SER A 26 4.167 4.875 4.116 1.00 0.00 O ATOM 395 CB SER A 26 5.684 2.626 6.131 1.00 0.00 C ATOM 396 OG SER A 26 5.259 3.610 7.062 1.00 0.00 O ATOM 0 H SER A 26 6.365 5.143 5.031 1.00 0.00 H new ATOM 0 HA SER A 26 6.065 2.380 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.000 1.778 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.667 2.254 6.420 1.00 0.00 H new ATOM 0 HG SER A 26 5.230 3.219 7.960 1.00 0.00 H new ATOM 401 N ASP A 27 3.403 2.772 4.063 1.00 0.00 N ATOM 402 CA ASP A 27 2.024 3.133 3.719 1.00 0.00 C ATOM 403 C ASP A 27 1.363 4.104 4.729 1.00 0.00 C ATOM 404 O ASP A 27 0.605 4.984 4.322 1.00 0.00 O ATOM 405 CB ASP A 27 1.185 1.876 3.416 1.00 0.00 C ATOM 406 CG ASP A 27 1.033 0.855 4.560 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.404 1.138 5.722 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.421 -0.214 4.311 1.00 0.00 O ATOM 0 H ASP A 27 3.555 1.766 4.137 1.00 0.00 H new ATOM 0 HA ASP A 27 2.065 3.714 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.189 2.197 3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.631 1.367 2.562 1.00 0.00 H new ATOM 412 N GLN A 28 1.703 4.064 6.023 1.00 0.00 N ATOM 413 CA GLN A 28 1.320 5.104 6.977 1.00 0.00 C ATOM 414 C GLN A 28 2.047 6.422 6.673 1.00 0.00 C ATOM 415 O GLN A 28 1.414 7.470 6.545 1.00 0.00 O ATOM 416 CB GLN A 28 1.583 4.609 8.410 1.00 0.00 C ATOM 417 CG GLN A 28 1.429 5.696 9.485 1.00 0.00 C ATOM 418 CD GLN A 28 0.045 6.351 9.524 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.869 5.890 10.198 1.00 0.00 O ATOM 420 NE2 GLN A 28 -0.172 7.448 8.822 1.00 0.00 N ATOM 0 H GLN A 28 2.251 3.309 6.435 1.00 0.00 H new ATOM 0 HA GLN A 28 0.254 5.309 6.882 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.897 3.792 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.592 4.201 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.639 5.258 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.179 6.468 9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.576 7.847 8.255 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.088 7.897 8.847 1.00 0.00 H new ATOM 427 N GLU A 29 3.373 6.414 6.591 1.00 0.00 N ATOM 428 CA GLU A 29 4.152 7.633 6.441 1.00 0.00 C ATOM 429 C GLU A 29 3.835 8.382 5.140 1.00 0.00 C ATOM 430 O GLU A 29 3.538 9.574 5.210 1.00 0.00 O ATOM 431 CB GLU A 29 5.635 7.296 6.602 1.00 0.00 C ATOM 432 CG GLU A 29 6.031 6.866 8.025 1.00 0.00 C ATOM 433 CD GLU A 29 5.904 8.019 9.039 1.00 0.00 C ATOM 434 OE1 GLU A 29 6.849 8.839 9.152 1.00 0.00 O ATOM 435 OE2 GLU A 29 4.865 8.112 9.736 1.00 0.00 O ATOM 0 H GLU A 29 3.935 5.563 6.627 1.00 0.00 H new ATOM 0 HA GLU A 29 3.872 8.334 7.227 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.892 6.496 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.227 8.166 6.319 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.399 6.036 8.341 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.058 6.501 8.020 1.00 0.00 H new ATOM 440 N ILE A 30 3.787 7.712 3.983 1.00 0.00 N ATOM 441 CA ILE A 30 3.339 8.335 2.724 1.00 0.00 C ATOM 442 C ILE A 30 1.905 8.860 2.821 1.00 0.00 C ATOM 443 O ILE A 30 1.652 9.971 2.358 1.00 0.00 O ATOM 444 CB ILE A 30 3.572 7.447 1.481 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.646 6.218 1.418 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.056 7.067 1.405 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.013 5.175 0.350 1.00 0.00 C ATOM 0 H ILE A 30 4.054 6.732 3.889 1.00 0.00 H new ATOM 0 HA ILE A 30 3.980 9.204 2.574 1.00 0.00 H new ATOM 0 HB ILE A 30 3.306 8.029 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.648 5.732 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.627 6.560 1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.227 6.440 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.660 7.971 1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.338 6.519 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.301 4.350 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.981 5.638 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.017 4.797 0.541 1.00 0.00 H new ATOM 458 N ALA A 31 0.986 8.156 3.493 1.00 0.00 N ATOM 459 CA ALA A 31 -0.381 8.664 3.670 1.00 0.00 C ATOM 460 C ALA A 31 -0.410 9.981 4.471 1.00 0.00 C ATOM 461 O ALA A 31 -1.215 10.875 4.198 1.00 0.00 O ATOM 462 CB ALA A 31 -1.231 7.599 4.368 1.00 0.00 C ATOM 0 H ALA A 31 1.160 7.245 3.918 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.792 8.880 2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.246 7.973 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.254 6.695 3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.799 7.369 5.342 1.00 0.00 H new ATOM 468 N ASN A 32 0.492 10.119 5.444 1.00 0.00 N ATOM 469 CA ASN A 32 0.591 11.287 6.310 1.00 0.00 C ATOM 470 C ASN A 32 1.057 12.544 5.563 1.00 0.00 C ATOM 471 O ASN A 32 0.376 13.565 5.617 1.00 0.00 O ATOM 472 CB ASN A 32 1.510 10.943 7.484 1.00 0.00 C ATOM 473 CG ASN A 32 1.581 12.075 8.497 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.607 12.410 9.158 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.723 12.708 8.650 1.00 0.00 N ATOM 0 H ASN A 32 1.188 9.404 5.654 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.403 11.533 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.150 10.039 7.974 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.511 10.726 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.795 13.476 9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.537 12.432 8.101 1.00 0.00 H new ATOM 481 N ILE A 33 2.192 12.498 4.861 1.00 0.00 N ATOM 482 CA ILE A 33 2.736 13.688 4.166 1.00 0.00 C ATOM 483 C ILE A 33 1.784 14.180 3.066 1.00 0.00 C ATOM 484 O ILE A 33 1.651 15.379 2.832 1.00 0.00 O ATOM 485 CB ILE A 33 4.127 13.421 3.556 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.091 12.726 4.545 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.777 14.718 3.051 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.553 11.397 3.956 1.00 0.00 C ATOM 0 H ILE A 33 2.758 11.656 4.753 1.00 0.00 H new ATOM 0 HA ILE A 33 2.837 14.463 4.926 1.00 0.00 H new ATOM 0 HB ILE A 33 3.955 12.747 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.950 13.367 4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.592 12.559 5.499 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.756 14.493 2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.145 15.168 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.892 15.415 3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.233 10.907 4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.689 10.756 3.781 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.068 11.577 3.013 1.00 0.00 H new ATOM 499 N LEU A 34 1.064 13.259 2.424 1.00 0.00 N ATOM 500 CA LEU A 34 0.047 13.541 1.406 1.00 0.00 C ATOM 501 C LEU A 34 -1.143 14.343 1.957 1.00 0.00 C ATOM 502 O LEU A 34 -1.842 15.026 1.202 1.00 0.00 O ATOM 503 CB LEU A 34 -0.396 12.198 0.788 1.00 0.00 C ATOM 504 CG LEU A 34 0.415 11.712 -0.436 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.923 11.959 -0.348 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.188 10.219 -0.672 1.00 0.00 C ATOM 0 H LEU A 34 1.176 12.261 2.604 1.00 0.00 H new ATOM 0 HA LEU A 34 0.481 14.179 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.344 11.431 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.442 12.284 0.494 1.00 0.00 H new ATOM 0 HG LEU A 34 0.042 12.311 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.406 11.585 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.112 13.028 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.327 11.440 0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.767 9.895 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.506 9.659 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.871 10.036 -0.855 1.00 0.00 H new ATOM 517 N LYS A 35 -1.343 14.335 3.277 1.00 0.00 N ATOM 518 CA LYS A 35 -2.357 15.158 3.954 1.00 0.00 C ATOM 519 C LYS A 35 -1.887 16.598 4.190 1.00 0.00 C ATOM 520 O LYS A 35 -2.712 17.468 4.468 1.00 0.00 O ATOM 521 CB LYS A 35 -2.811 14.434 5.241 1.00 0.00 C ATOM 522 CG LYS A 35 -2.236 15.013 6.550 1.00 0.00 C ATOM 523 CD LYS A 35 -2.310 14.026 7.721 1.00 0.00 C ATOM 524 CE LYS A 35 -3.758 13.719 8.124 1.00 0.00 C ATOM 525 NZ LYS A 35 -3.809 12.805 9.294 1.00 0.00 N ATOM 0 H LYS A 35 -0.802 13.752 3.915 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.224 15.268 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.899 14.466 5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.526 13.384 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.197 15.301 6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.781 15.920 6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.806 13.099 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.775 14.438 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.276 14.648 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.284 13.267 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.801 12.615 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.335 11.910 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.327 13.248 10.102 1.00 0.00 H new ATOM 535 N GLU A 36 -0.585 16.869 4.062 1.00 0.00 N ATOM 536 CA GLU A 36 -0.007 18.191 4.336 1.00 0.00 C ATOM 537 C GLU A 36 -0.028 19.105 3.102 1.00 0.00 C ATOM 538 O GLU A 36 0.209 20.311 3.236 1.00 0.00 O ATOM 539 CB GLU A 36 1.432 18.062 4.868 1.00 0.00 C ATOM 540 CG GLU A 36 1.524 17.215 6.147 1.00 0.00 C ATOM 541 CD GLU A 36 2.913 17.350 6.796 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.845 16.596 6.423 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.086 18.218 7.689 1.00 0.00 O ATOM 0 H GLU A 36 0.102 16.176 3.764 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.632 18.652 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.060 17.616 4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.831 19.057 5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.756 17.531 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.329 16.169 5.910 1.00 0.00 H new ATOM 548 N LYS A 37 -0.320 18.555 1.909 1.00 0.00 N ATOM 549 CA LYS A 37 -0.192 19.293 0.630 1.00 0.00 C ATOM 550 C LYS A 37 -1.416 19.261 -0.286 1.00 0.00 C ATOM 551 O LYS A 37 -1.633 20.255 -0.986 1.00 0.00 O ATOM 552 CB LYS A 37 1.112 18.919 -0.098 1.00 0.00 C ATOM 553 CG LYS A 37 1.418 17.422 -0.047 1.00 0.00 C ATOM 554 CD LYS A 37 2.672 17.062 -0.841 1.00 0.00 C ATOM 555 CE LYS A 37 3.048 15.650 -0.405 1.00 0.00 C ATOM 556 NZ LYS A 37 4.047 15.034 -1.314 1.00 0.00 N ATOM 0 H LYS A 37 -0.649 17.596 1.800 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.137 20.343 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.044 19.235 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.941 19.469 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.546 17.114 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.568 16.865 -0.442 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.481 17.102 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.480 17.763 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.449 15.678 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.153 15.029 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.274 14.075 -0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.656 14.983 -2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.912 15.612 -1.322 1.00 0.00 H new ATOM 566 N GLY A 38 -2.274 18.231 -0.243 1.00 0.00 N ATOM 567 CA GLY A 38 -3.634 18.398 -0.778 1.00 0.00 C ATOM 568 C GLY A 38 -4.428 17.128 -1.053 1.00 0.00 C ATOM 569 O GLY A 38 -5.515 17.215 -1.629 1.00 0.00 O ATOM 0 H GLY A 38 -2.064 17.309 0.140 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.202 19.008 -0.075 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.566 18.963 -1.708 1.00 0.00 H new ATOM 573 N PHE A 39 -3.907 15.958 -0.681 1.00 0.00 N ATOM 574 CA PHE A 39 -4.465 14.679 -1.122 1.00 0.00 C ATOM 575 C PHE A 39 -5.355 14.065 -0.053 1.00 0.00 C ATOM 576 O PHE A 39 -6.427 13.529 -0.349 1.00 0.00 O ATOM 577 CB PHE A 39 -3.333 13.734 -1.533 1.00 0.00 C ATOM 578 CG PHE A 39 -2.368 14.388 -2.495 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.799 14.690 -3.795 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.082 14.768 -2.071 1.00 0.00 C ATOM 581 CE1 PHE A 39 -1.944 15.350 -4.690 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.230 15.444 -2.962 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.656 15.734 -4.273 1.00 0.00 C ATOM 0 H PHE A 39 -3.094 15.870 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.098 14.853 -1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.793 13.408 -0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.756 12.842 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.795 14.413 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.751 14.542 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.273 15.563 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.757 15.743 -2.640 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.004 16.249 -4.956 1.00 0.00 H new ATOM 592 N LYS A 40 -4.902 14.193 1.202 1.00 0.00 N ATOM 593 CA LYS A 40 -5.526 13.721 2.443 1.00 0.00 C ATOM 594 C LYS A 40 -6.198 12.366 2.258 1.00 0.00 C ATOM 595 O LYS A 40 -7.373 12.147 2.556 1.00 0.00 O ATOM 596 CB LYS A 40 -6.338 14.830 3.133 1.00 0.00 C ATOM 597 CG LYS A 40 -6.617 16.115 2.323 1.00 0.00 C ATOM 598 CD LYS A 40 -7.080 17.242 3.254 1.00 0.00 C ATOM 599 CE LYS A 40 -5.876 17.710 4.087 1.00 0.00 C ATOM 600 NZ LYS A 40 -5.198 18.888 3.490 1.00 0.00 N ATOM 0 H LYS A 40 -4.019 14.668 1.389 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.753 13.503 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.296 14.408 3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.813 15.114 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.716 16.421 1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.380 15.920 1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.485 18.071 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.879 16.890 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.209 17.958 5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.162 16.892 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.171 18.806 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.405 18.929 2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.542 19.756 3.948 1.00 0.00 H new ATOM 610 N VAL A 41 -5.377 11.486 1.699 1.00 0.00 N ATOM 611 CA VAL A 41 -5.610 10.045 1.521 1.00 0.00 C ATOM 612 C VAL A 41 -5.046 9.286 2.739 1.00 0.00 C ATOM 613 O VAL A 41 -3.988 9.624 3.273 1.00 0.00 O ATOM 614 CB VAL A 41 -5.053 9.551 0.166 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.592 9.980 -0.044 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.072 8.026 0.030 1.00 0.00 C ATOM 0 H VAL A 41 -4.469 11.771 1.331 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.680 9.842 1.479 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.711 10.004 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.240 9.612 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.526 11.068 -0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.973 9.564 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.669 7.742 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.464 7.583 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.097 7.666 0.117 1.00 0.00 H new ATOM 626 N ALA A 42 -5.770 8.273 3.197 1.00 0.00 N ATOM 627 CA ALA A 42 -5.463 7.346 4.274 1.00 0.00 C ATOM 628 C ALA A 42 -4.582 6.171 3.805 1.00 0.00 C ATOM 629 O ALA A 42 -4.454 5.848 2.616 1.00 0.00 O ATOM 630 CB ALA A 42 -6.787 6.815 4.848 1.00 0.00 C ATOM 0 H ALA A 42 -6.677 8.061 2.781 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.895 7.879 5.036 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.578 6.117 5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.378 7.648 5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.345 6.304 4.063 1.00 0.00 H new ATOM 636 N ARG A 43 -4.021 5.459 4.780 1.00 0.00 N ATOM 637 CA ARG A 43 -3.109 4.325 4.593 1.00 0.00 C ATOM 638 C ARG A 43 -3.738 3.134 3.864 1.00 0.00 C ATOM 639 O ARG A 43 -3.029 2.394 3.185 1.00 0.00 O ATOM 640 CB ARG A 43 -2.508 3.973 5.966 1.00 0.00 C ATOM 641 CG ARG A 43 -1.652 2.697 5.978 1.00 0.00 C ATOM 642 CD ARG A 43 -2.479 1.461 6.365 1.00 0.00 C ATOM 643 NE ARG A 43 -1.916 0.237 5.782 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.500 -0.927 5.615 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.655 -1.199 6.147 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.904 -1.829 4.900 1.00 0.00 N ATOM 0 H ARG A 43 -4.195 5.662 5.764 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.307 4.616 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.897 4.809 6.306 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.319 3.858 6.685 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.211 2.546 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.828 2.818 6.681 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.511 1.368 7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.507 1.588 6.026 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.948 0.299 5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.134 -0.498 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.082 -2.113 5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.997 -1.628 4.478 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.342 -2.739 4.759 1.00 0.00 H new ATOM 657 N ARG A 44 -5.061 2.959 3.943 1.00 0.00 N ATOM 658 CA ARG A 44 -5.775 1.820 3.341 1.00 0.00 C ATOM 659 C ARG A 44 -5.736 1.884 1.816 1.00 0.00 C ATOM 660 O ARG A 44 -5.635 0.854 1.154 1.00 0.00 O ATOM 661 CB ARG A 44 -7.224 1.774 3.867 1.00 0.00 C ATOM 662 CG ARG A 44 -7.396 0.765 5.017 1.00 0.00 C ATOM 663 CD ARG A 44 -6.677 1.116 6.332 1.00 0.00 C ATOM 664 NE ARG A 44 -7.321 2.223 7.074 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.549 2.292 8.377 1.00 0.00 C ATOM 666 NH1 ARG A 44 -7.218 1.364 9.225 1.00 0.00 N ATOM 667 NH2 ARG A 44 -8.142 3.315 8.903 1.00 0.00 N ATOM 0 H ARG A 44 -5.676 3.610 4.431 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.271 0.899 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.515 2.767 4.211 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.896 1.509 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.461 0.658 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.038 -0.207 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.646 0.231 6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.644 1.387 6.112 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.624 3.024 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.752 0.517 8.898 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -7.424 1.483 10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.444 4.089 8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.307 3.347 9.909 1.00 0.00 H new ATOM 678 N THR A 45 -5.769 3.092 1.265 1.00 0.00 N ATOM 679 CA THR A 45 -5.811 3.410 -0.148 1.00 0.00 C ATOM 680 C THR A 45 -4.412 3.422 -0.715 1.00 0.00 C ATOM 681 O THR A 45 -4.132 2.823 -1.749 1.00 0.00 O ATOM 682 CB THR A 45 -6.380 4.823 -0.281 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.488 4.959 0.574 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.771 5.117 -1.720 1.00 0.00 C ATOM 0 H THR A 45 -5.767 3.933 1.842 1.00 0.00 H new ATOM 0 HA THR A 45 -6.414 2.673 -0.678 1.00 0.00 H new ATOM 0 HB THR A 45 -5.614 5.544 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.855 5.864 0.493 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.173 6.128 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.893 5.031 -2.360 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.528 4.403 -2.045 1.00 0.00 H new ATOM 692 N VAL A 46 -3.515 4.103 -0.003 1.00 0.00 N ATOM 693 CA VAL A 46 -2.160 4.334 -0.462 1.00 0.00 C ATOM 694 C VAL A 46 -1.369 3.014 -0.530 1.00 0.00 C ATOM 695 O VAL A 46 -0.497 2.842 -1.383 1.00 0.00 O ATOM 696 CB VAL A 46 -1.504 5.411 0.419 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.679 4.833 1.561 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.607 6.328 -0.408 1.00 0.00 C ATOM 0 H VAL A 46 -3.716 4.509 0.911 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.166 4.716 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.332 5.975 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.244 5.645 2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.320 4.229 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.118 4.210 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.157 7.079 0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.179 5.739 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.201 6.822 -1.177 1.00 0.00 H new ATOM 708 N ALA A 47 -1.741 2.046 0.323 1.00 0.00 N ATOM 709 CA ALA A 47 -1.226 0.685 0.339 1.00 0.00 C ATOM 710 C ALA A 47 -1.586 -0.055 -0.953 1.00 0.00 C ATOM 711 O ALA A 47 -0.748 -0.679 -1.603 1.00 0.00 O ATOM 712 CB ALA A 47 -1.834 -0.056 1.535 1.00 0.00 C ATOM 0 H ALA A 47 -2.440 2.207 1.048 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.140 0.720 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.457 -1.078 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.559 0.455 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.920 -0.072 1.439 1.00 0.00 H new ATOM 718 N LYS A 48 -2.858 0.053 -1.339 1.00 0.00 N ATOM 719 CA LYS A 48 -3.426 -0.550 -2.548 1.00 0.00 C ATOM 720 C LYS A 48 -2.878 0.086 -3.833 1.00 0.00 C ATOM 721 O LYS A 48 -2.941 -0.524 -4.901 1.00 0.00 O ATOM 722 CB LYS A 48 -4.959 -0.461 -2.450 1.00 0.00 C ATOM 723 CG LYS A 48 -5.507 -1.411 -1.365 1.00 0.00 C ATOM 724 CD LYS A 48 -6.994 -1.188 -1.048 1.00 0.00 C ATOM 725 CE LYS A 48 -7.864 -1.467 -2.271 1.00 0.00 C ATOM 726 NZ LYS A 48 -9.314 -1.433 -1.943 1.00 0.00 N ATOM 0 H LYS A 48 -3.546 0.580 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.128 -1.597 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.252 0.564 -2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.402 -0.712 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.364 -2.442 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.926 -1.281 -0.452 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.296 -1.839 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.148 -0.162 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.650 -0.729 -3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.608 -2.443 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.869 -1.627 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.524 -2.154 -1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.565 -0.493 -1.574 1.00 0.00 H new ATOM 736 N TYR A 49 -2.295 1.284 -3.733 1.00 0.00 N ATOM 737 CA TYR A 49 -1.699 2.034 -4.840 1.00 0.00 C ATOM 738 C TYR A 49 -0.230 1.709 -5.049 1.00 0.00 C ATOM 739 O TYR A 49 0.136 1.343 -6.167 1.00 0.00 O ATOM 740 CB TYR A 49 -1.922 3.536 -4.659 1.00 0.00 C ATOM 741 CG TYR A 49 -3.225 3.980 -5.287 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.430 3.318 -4.982 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.218 5.028 -6.221 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.620 3.683 -5.632 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.406 5.400 -6.878 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.604 4.710 -6.599 1.00 0.00 C ATOM 747 OH TYR A 49 -6.748 5.040 -7.249 1.00 0.00 O ATOM 0 H TYR A 49 -2.223 1.777 -2.843 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.210 1.718 -5.749 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.927 3.779 -3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.094 4.085 -5.108 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.439 2.527 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.298 5.551 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.545 3.179 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.400 6.210 -7.592 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.567 5.767 -7.881 1.00 0.00 H new ATOM 756 N ARG A 50 0.614 1.744 -4.005 1.00 0.00 N ATOM 757 CA ARG A 50 2.002 1.265 -4.157 1.00 0.00 C ATOM 758 C ARG A 50 2.062 -0.196 -4.623 1.00 0.00 C ATOM 759 O ARG A 50 3.023 -0.580 -5.285 1.00 0.00 O ATOM 760 CB ARG A 50 2.841 1.574 -2.904 1.00 0.00 C ATOM 761 CG ARG A 50 2.437 0.837 -1.620 1.00 0.00 C ATOM 762 CD ARG A 50 3.465 -0.211 -1.164 1.00 0.00 C ATOM 763 NE ARG A 50 3.342 -1.494 -1.889 1.00 0.00 N ATOM 764 CZ ARG A 50 2.515 -2.479 -1.584 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.586 -2.324 -0.690 1.00 0.00 N ATOM 766 NH2 ARG A 50 2.604 -3.633 -2.173 1.00 0.00 N ATOM 0 H ARG A 50 0.374 2.086 -3.075 1.00 0.00 H new ATOM 0 HA ARG A 50 2.471 1.827 -4.965 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.882 1.337 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.791 2.646 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.295 1.566 -0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.477 0.347 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.470 0.187 -1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.343 -0.390 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 50 3.950 -1.631 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.485 -1.430 -0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.957 -3.096 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.320 -3.790 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.958 -4.383 -1.926 1.00 0.00 H new ATOM 777 N GLU A 51 0.994 -0.967 -4.400 1.00 0.00 N ATOM 778 CA GLU A 51 0.823 -2.315 -4.961 1.00 0.00 C ATOM 779 C GLU A 51 0.595 -2.305 -6.488 1.00 0.00 C ATOM 780 O GLU A 51 1.177 -3.123 -7.204 1.00 0.00 O ATOM 781 CB GLU A 51 -0.335 -3.030 -4.236 1.00 0.00 C ATOM 782 CG GLU A 51 -0.521 -4.482 -4.705 1.00 0.00 C ATOM 783 CD GLU A 51 -1.670 -5.212 -3.979 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.751 -4.612 -3.756 1.00 0.00 O ATOM 785 OE2 GLU A 51 -1.522 -6.425 -3.690 1.00 0.00 O ATOM 0 H GLU A 51 0.211 -0.670 -3.817 1.00 0.00 H new ATOM 0 HA GLU A 51 1.752 -2.861 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.147 -3.020 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.259 -2.477 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.715 -4.489 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.407 -5.030 -4.546 1.00 0.00 H new ATOM 790 N MET A 52 -0.255 -1.405 -6.995 1.00 0.00 N ATOM 791 CA MET A 52 -0.678 -1.392 -8.407 1.00 0.00 C ATOM 792 C MET A 52 0.315 -0.680 -9.336 1.00 0.00 C ATOM 793 O MET A 52 0.443 -1.059 -10.504 1.00 0.00 O ATOM 794 CB MET A 52 -2.105 -0.824 -8.562 1.00 0.00 C ATOM 795 CG MET A 52 -2.210 0.706 -8.696 1.00 0.00 C ATOM 796 SD MET A 52 -3.896 1.348 -8.933 1.00 0.00 S ATOM 797 CE MET A 52 -4.740 0.773 -7.434 1.00 0.00 C ATOM 0 H MET A 52 -0.673 -0.660 -6.438 1.00 0.00 H new ATOM 0 HA MET A 52 -0.690 -2.434 -8.726 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.562 -1.278 -9.441 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.694 -1.135 -7.699 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.787 1.163 -7.802 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.595 1.024 -9.538 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.682 1.309 -7.319 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.938 -0.296 -7.515 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.108 0.960 -6.566 1.00 0.00 H new ATOM 805 N LEU A 53 1.020 0.339 -8.829 1.00 0.00 N ATOM 806 CA LEU A 53 2.067 1.061 -9.552 1.00 0.00 C ATOM 807 C LEU A 53 3.270 0.148 -9.848 1.00 0.00 C ATOM 808 O LEU A 53 3.565 -0.131 -11.015 1.00 0.00 O ATOM 809 CB LEU A 53 2.470 2.318 -8.763 1.00 0.00 C ATOM 810 CG LEU A 53 1.561 3.537 -9.050 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.462 3.749 -8.004 1.00 0.00 C ATOM 812 CD2 LEU A 53 2.444 4.783 -9.118 1.00 0.00 C ATOM 0 H LEU A 53 0.873 0.690 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 53 1.678 1.381 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.441 2.094 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.501 2.577 -9.006 1.00 0.00 H new ATOM 0 HG LEU A 53 1.048 3.347 -9.993 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.133 4.621 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.180 2.869 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.916 3.908 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.825 5.657 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.960 4.916 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.178 4.666 -9.916 1.00 0.00 H new ATOM 823 N GLY A 54 3.952 -0.340 -8.804 1.00 0.00 N ATOM 824 CA GLY A 54 4.999 -1.362 -8.957 1.00 0.00 C ATOM 825 C GLY A 54 5.881 -1.686 -7.742 1.00 0.00 C ATOM 826 O GLY A 54 6.875 -2.401 -7.902 1.00 0.00 O ATOM 0 H GLY A 54 3.798 -0.043 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.517 -2.287 -9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.654 -1.048 -9.770 1.00 0.00 H new ATOM 830 N ILE A 55 5.580 -1.164 -6.549 1.00 0.00 N ATOM 831 CA ILE A 55 6.426 -1.284 -5.351 1.00 0.00 C ATOM 832 C ILE A 55 6.049 -2.533 -4.523 1.00 0.00 C ATOM 833 O ILE A 55 4.893 -2.670 -4.104 1.00 0.00 O ATOM 834 CB ILE A 55 6.347 0.017 -4.525 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.129 1.129 -5.262 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.923 -0.155 -3.108 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.654 2.542 -4.902 1.00 0.00 C ATOM 0 H ILE A 55 4.724 -0.635 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 55 7.463 -1.423 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 55 5.295 0.283 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.189 1.037 -5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.030 0.982 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.845 0.788 -2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.362 -0.925 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.970 -0.449 -3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.243 3.275 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.602 2.650 -5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.779 2.706 -3.832 1.00 0.00 H new ATOM 848 N PRO A 56 7.011 -3.430 -4.223 1.00 0.00 N ATOM 849 CA PRO A 56 6.777 -4.594 -3.368 1.00 0.00 C ATOM 850 C PRO A 56 6.555 -4.163 -1.908 1.00 0.00 C ATOM 851 O PRO A 56 5.525 -4.486 -1.314 1.00 0.00 O ATOM 852 CB PRO A 56 7.997 -5.495 -3.576 1.00 0.00 C ATOM 853 CG PRO A 56 9.123 -4.542 -3.988 1.00 0.00 C ATOM 854 CD PRO A 56 8.411 -3.348 -4.620 1.00 0.00 C ATOM 0 HA PRO A 56 5.868 -5.139 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.250 -6.035 -2.663 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.810 -6.242 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.718 -4.237 -3.127 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.804 -5.016 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.854 -2.411 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.506 -3.372 -5.706 1.00 0.00 H new ATOM 859 N SER A 57 7.486 -3.379 -1.353 1.00 0.00 N ATOM 860 CA SER A 57 7.309 -2.588 -0.117 1.00 0.00 C ATOM 861 C SER A 57 8.284 -1.406 0.053 1.00 0.00 C ATOM 862 O SER A 57 8.141 -0.578 0.953 1.00 0.00 O ATOM 863 CB SER A 57 7.433 -3.498 1.112 1.00 0.00 C ATOM 864 OG SER A 57 8.777 -3.921 1.293 1.00 0.00 O ATOM 0 H SER A 57 8.415 -3.270 -1.760 1.00 0.00 H new ATOM 0 HA SER A 57 6.313 -2.155 -0.207 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.092 -2.966 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.786 -4.367 0.993 1.00 0.00 H new ATOM 0 HG SER A 57 8.835 -4.499 2.083 1.00 0.00 H new ATOM 869 N SER A 58 9.321 -1.341 -0.791 1.00 0.00 N ATOM 870 CA SER A 58 10.547 -0.527 -0.673 1.00 0.00 C ATOM 871 C SER A 58 11.435 -0.817 0.546 1.00 0.00 C ATOM 872 O SER A 58 12.630 -0.527 0.477 1.00 0.00 O ATOM 873 CB SER A 58 10.279 0.979 -0.802 1.00 0.00 C ATOM 874 OG SER A 58 9.711 1.263 -2.067 1.00 0.00 O ATOM 0 H SER A 58 9.330 -1.900 -1.644 1.00 0.00 H new ATOM 0 HA SER A 58 11.130 -0.856 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.605 1.306 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.209 1.534 -0.679 1.00 0.00 H new ATOM 0 HG SER A 58 9.395 2.191 -2.083 1.00 0.00 H new ATOM 879 N ARG A 59 10.940 -1.472 1.609 1.00 0.00 N ATOM 880 CA ARG A 59 11.755 -1.998 2.707 1.00 0.00 C ATOM 881 C ARG A 59 12.623 -3.132 2.181 1.00 0.00 C ATOM 882 O ARG A 59 13.811 -3.196 2.482 1.00 0.00 O ATOM 883 CB ARG A 59 10.814 -2.465 3.832 1.00 0.00 C ATOM 884 CG ARG A 59 11.557 -3.031 5.052 1.00 0.00 C ATOM 885 CD ARG A 59 10.576 -3.347 6.186 1.00 0.00 C ATOM 886 NE ARG A 59 9.758 -4.553 5.931 1.00 0.00 N ATOM 887 CZ ARG A 59 8.892 -5.112 6.761 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.667 -4.638 7.951 1.00 0.00 N ATOM 889 NH2 ARG A 59 8.224 -6.173 6.412 1.00 0.00 N ATOM 0 H ARG A 59 9.943 -1.652 1.728 1.00 0.00 H new ATOM 0 HA ARG A 59 12.418 -1.233 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.195 -1.626 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.141 -3.227 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.096 -3.935 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.300 -2.312 5.397 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.134 -3.484 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.915 -2.493 6.335 1.00 0.00 H new ATOM 0 HE ARG A 59 9.873 -5.000 5.021 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.166 -3.808 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.992 -5.096 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.365 -6.584 5.489 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.560 -6.594 7.061 1.00 0.00 H new ATOM 900 N GLU A 60 12.028 -3.983 1.345 1.00 0.00 N ATOM 901 CA GLU A 60 12.684 -5.151 0.766 1.00 0.00 C ATOM 902 C GLU A 60 13.649 -4.800 -0.382 1.00 0.00 C ATOM 903 O GLU A 60 14.631 -5.513 -0.605 1.00 0.00 O ATOM 904 CB GLU A 60 11.642 -6.222 0.399 1.00 0.00 C ATOM 905 CG GLU A 60 10.736 -5.903 -0.802 1.00 0.00 C ATOM 906 CD GLU A 60 11.217 -6.625 -2.077 1.00 0.00 C ATOM 907 OE1 GLU A 60 10.824 -7.798 -2.297 1.00 0.00 O ATOM 908 OE2 GLU A 60 11.982 -6.028 -2.871 1.00 0.00 O ATOM 0 H GLU A 60 11.058 -3.876 1.047 1.00 0.00 H new ATOM 0 HA GLU A 60 13.333 -5.582 1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.167 -7.155 0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.009 -6.397 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.712 -6.202 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.723 -4.827 -0.974 1.00 0.00 H new ATOM 913 N ARG A 61 13.422 -3.660 -1.056 1.00 0.00 N ATOM 914 CA ARG A 61 14.339 -3.048 -2.026 1.00 0.00 C ATOM 915 C ARG A 61 15.566 -2.425 -1.353 1.00 0.00 C ATOM 916 O ARG A 61 16.683 -2.581 -1.856 1.00 0.00 O ATOM 917 CB ARG A 61 13.589 -1.989 -2.851 1.00 0.00 C ATOM 918 CG ARG A 61 12.363 -2.582 -3.566 1.00 0.00 C ATOM 919 CD ARG A 61 11.903 -1.717 -4.741 1.00 0.00 C ATOM 920 NE ARG A 61 11.406 -0.380 -4.349 1.00 0.00 N ATOM 921 CZ ARG A 61 11.342 0.692 -5.121 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.718 0.704 -6.365 1.00 0.00 N ATOM 923 NH2 ARG A 61 10.881 1.815 -4.666 1.00 0.00 N ATOM 0 H ARG A 61 12.564 -3.122 -0.934 1.00 0.00 H new ATOM 0 HA ARG A 61 14.702 -3.839 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.270 -1.178 -2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.266 -1.557 -3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.603 -3.582 -3.926 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.545 -2.688 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.734 -1.594 -5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.114 -2.243 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 61 11.080 -0.274 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.086 -0.145 -6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.645 1.562 -6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.561 1.881 -3.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.838 2.633 -5.274 1.00 0.00 H new ATOM 934 N ARG A 62 15.369 -1.718 -0.231 1.00 0.00 N ATOM 935 CA ARG A 62 16.403 -1.030 0.548 1.00 0.00 C ATOM 936 C ARG A 62 17.358 -1.992 1.270 1.00 0.00 C ATOM 937 O ARG A 62 18.574 -1.887 1.089 1.00 0.00 O ATOM 938 CB ARG A 62 15.663 -0.094 1.513 1.00 0.00 C ATOM 939 CG ARG A 62 16.562 0.586 2.550 1.00 0.00 C ATOM 940 CD ARG A 62 16.128 0.189 3.961 1.00 0.00 C ATOM 941 NE ARG A 62 16.940 0.879 4.977 1.00 0.00 N ATOM 942 CZ ARG A 62 16.919 0.706 6.283 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.152 -0.178 6.855 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.677 1.437 7.048 1.00 0.00 N ATOM 0 H ARG A 62 14.440 -1.606 0.175 1.00 0.00 H new ATOM 0 HA ARG A 62 17.061 -0.465 -0.112 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.152 0.675 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.894 -0.664 2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.601 0.299 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.508 1.669 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.076 0.434 4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.224 -0.890 4.085 1.00 0.00 H new ATOM 0 HE ARG A 62 17.598 1.575 4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.540 -0.765 6.288 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.163 -0.283 7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.287 2.143 6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.661 1.303 8.059 1.00 0.00 H new ATOM 955 N ILE A 63 16.815 -2.855 2.138 1.00 0.00 N ATOM 956 CA ILE A 63 17.555 -3.690 3.115 1.00 0.00 C ATOM 957 C ILE A 63 18.655 -4.577 2.493 1.00 0.00 C ATOM 958 O ILE A 63 19.752 -4.657 3.095 1.00 0.00 O ATOM 959 CB ILE A 63 16.557 -4.459 4.014 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.181 -4.977 5.327 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.902 -5.636 3.272 1.00 0.00 C ATOM 962 CD1 ILE A 63 17.593 -3.855 6.291 1.00 0.00 C ATOM 963 OXT ILE A 63 18.442 -5.170 1.408 1.00 0.00 O ATOM 0 H ILE A 63 15.807 -3.003 2.187 1.00 0.00 H new ATOM 0 HA ILE A 63 18.127 -3.016 3.753 1.00 0.00 H new ATOM 0 HB ILE A 63 15.797 -3.722 4.273 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.467 -5.631 5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.056 -5.582 5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.209 -6.147 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.359 -5.262 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.673 -6.334 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.024 -4.290 7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.331 -3.214 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 63 16.717 -3.263 6.557 1.00 0.00 H new