USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 603 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.2) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00377) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.27 (180deg=-0.991) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -150:sc= -0.665 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 69:sc= 0.489 USER MOD Single : A 34 GLN :FLIP amide:sc= 0.37 F(o=-0.75,f=0.37) USER MOD Single : A 37 THR OG1 : rot 53:sc= -1.25 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 39:sc= 0.0037 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -62:sc= -0.116 USER MOD Single : A 63 HIS : no HE2:sc= 0.453 K(o=0.45,f=-1.5!) USER MOD Single : A 65 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.46) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 120:sc= -0.507 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.572 6.313 5.882 1.00 0.56 N ATOM 2 CA MET A 1 9.608 5.184 5.740 1.00 0.44 C ATOM 3 C MET A 1 8.255 5.577 6.348 1.00 0.40 C ATOM 4 O MET A 1 8.190 6.136 7.430 1.00 0.56 O ATOM 5 CB MET A 1 10.156 3.946 6.459 1.00 0.59 C ATOM 6 CG MET A 1 10.028 2.723 5.545 1.00 0.74 C ATOM 7 SD MET A 1 11.528 1.717 5.667 1.00 0.99 S ATOM 8 CE MET A 1 10.914 0.286 4.744 1.00 1.36 C ATOM 0 H1 MET A 1 11.487 6.042 5.469 1.00 0.56 H new ATOM 0 H2 MET A 1 10.202 7.149 5.387 1.00 0.56 H new ATOM 0 H3 MET A 1 10.700 6.536 6.890 1.00 0.56 H new ATOM 0 HA MET A 1 9.473 4.958 4.682 1.00 0.44 H new ATOM 0 HB2 MET A 1 11.200 4.103 6.730 1.00 0.59 H new ATOM 0 HB3 MET A 1 9.608 3.779 7.386 1.00 0.59 H new ATOM 0 HG2 MET A 1 9.157 2.132 5.830 1.00 0.74 H new ATOM 0 HG3 MET A 1 9.874 3.041 4.514 1.00 0.74 H new ATOM 0 HE1 MET A 1 11.692 -0.476 4.694 1.00 1.36 H new ATOM 0 HE2 MET A 1 10.038 -0.123 5.247 1.00 1.36 H new ATOM 0 HE3 MET A 1 10.642 0.594 3.734 1.00 1.36 H new ATOM 18 N ILE A 2 7.179 5.288 5.655 1.00 0.29 N ATOM 19 CA ILE A 2 5.818 5.637 6.176 1.00 0.28 C ATOM 20 C ILE A 2 4.968 4.368 6.304 1.00 0.27 C ATOM 21 O ILE A 2 5.267 3.346 5.712 1.00 0.31 O ATOM 22 CB ILE A 2 5.129 6.622 5.220 1.00 0.28 C ATOM 23 CG1 ILE A 2 5.051 6.021 3.809 1.00 0.29 C ATOM 24 CG2 ILE A 2 5.926 7.929 5.167 1.00 0.33 C ATOM 25 CD1 ILE A 2 4.021 6.792 2.981 1.00 0.39 C ATOM 0 H ILE A 2 7.185 4.823 4.747 1.00 0.29 H new ATOM 0 HA ILE A 2 5.923 6.101 7.157 1.00 0.28 H new ATOM 0 HB ILE A 2 4.120 6.819 5.584 1.00 0.28 H new ATOM 0 HG12 ILE A 2 6.028 6.068 3.328 1.00 0.29 H new ATOM 0 HG13 ILE A 2 4.773 4.968 3.866 1.00 0.29 H new ATOM 0 HG21 ILE A 2 5.436 8.627 4.488 1.00 0.33 H new ATOM 0 HG22 ILE A 2 5.974 8.366 6.164 1.00 0.33 H new ATOM 0 HG23 ILE A 2 6.936 7.725 4.811 1.00 0.33 H new ATOM 0 HD11 ILE A 2 3.966 6.365 1.980 1.00 0.39 H new ATOM 0 HD12 ILE A 2 3.044 6.722 3.459 1.00 0.39 H new ATOM 0 HD13 ILE A 2 4.318 7.839 2.913 1.00 0.39 H new ATOM 37 N GLU A 3 3.908 4.431 7.072 1.00 0.29 N ATOM 38 CA GLU A 3 3.024 3.240 7.250 1.00 0.30 C ATOM 39 C GLU A 3 1.672 3.511 6.580 1.00 0.28 C ATOM 40 O GLU A 3 0.878 4.296 7.063 1.00 0.38 O ATOM 41 CB GLU A 3 2.829 2.977 8.750 1.00 0.39 C ATOM 42 CG GLU A 3 1.833 1.827 8.963 1.00 0.40 C ATOM 43 CD GLU A 3 2.351 0.550 8.290 1.00 0.47 C ATOM 44 OE1 GLU A 3 3.282 -0.043 8.814 1.00 0.63 O ATOM 45 OE2 GLU A 3 1.804 0.183 7.262 1.00 0.58 O ATOM 0 H GLU A 3 3.616 5.262 7.586 1.00 0.29 H new ATOM 0 HA GLU A 3 3.480 2.363 6.790 1.00 0.30 H new ATOM 0 HB2 GLU A 3 3.785 2.729 9.210 1.00 0.39 H new ATOM 0 HB3 GLU A 3 2.464 3.879 9.240 1.00 0.39 H new ATOM 0 HG2 GLU A 3 1.689 1.653 10.029 1.00 0.40 H new ATOM 0 HG3 GLU A 3 0.861 2.096 8.550 1.00 0.40 H new ATOM 52 N VAL A 4 1.410 2.865 5.470 1.00 0.23 N ATOM 53 CA VAL A 4 0.111 3.080 4.756 1.00 0.25 C ATOM 54 C VAL A 4 -0.734 1.800 4.819 1.00 0.24 C ATOM 55 O VAL A 4 -0.221 0.715 5.028 1.00 0.37 O ATOM 56 CB VAL A 4 0.378 3.456 3.290 1.00 0.32 C ATOM 57 CG1 VAL A 4 1.248 4.715 3.228 1.00 0.43 C ATOM 58 CG2 VAL A 4 1.100 2.309 2.578 1.00 0.41 C ATOM 0 H VAL A 4 2.040 2.197 5.026 1.00 0.23 H new ATOM 0 HA VAL A 4 -0.433 3.892 5.239 1.00 0.25 H new ATOM 0 HB VAL A 4 -0.575 3.645 2.796 1.00 0.32 H new ATOM 0 HG11 VAL A 4 1.435 4.977 2.187 1.00 0.43 H new ATOM 0 HG12 VAL A 4 0.733 5.538 3.723 1.00 0.43 H new ATOM 0 HG13 VAL A 4 2.197 4.527 3.730 1.00 0.43 H new ATOM 0 HG21 VAL A 4 1.285 2.584 1.540 1.00 0.41 H new ATOM 0 HG22 VAL A 4 2.049 2.112 3.076 1.00 0.41 H new ATOM 0 HG23 VAL A 4 0.480 1.413 2.611 1.00 0.41 H new ATOM 68 N VAL A 5 -2.026 1.926 4.639 1.00 0.23 N ATOM 69 CA VAL A 5 -2.919 0.726 4.684 1.00 0.28 C ATOM 70 C VAL A 5 -3.685 0.602 3.361 1.00 0.28 C ATOM 71 O VAL A 5 -4.082 1.589 2.770 1.00 0.40 O ATOM 72 CB VAL A 5 -3.916 0.857 5.847 1.00 0.34 C ATOM 73 CG1 VAL A 5 -3.166 0.766 7.178 1.00 0.41 C ATOM 74 CG2 VAL A 5 -4.649 2.203 5.765 1.00 0.40 C ATOM 0 H VAL A 5 -2.502 2.811 4.462 1.00 0.23 H new ATOM 0 HA VAL A 5 -2.310 -0.165 4.835 1.00 0.28 H new ATOM 0 HB VAL A 5 -4.645 0.049 5.781 1.00 0.34 H new ATOM 0 HG11 VAL A 5 -3.874 0.859 8.002 1.00 0.41 H new ATOM 0 HG12 VAL A 5 -2.657 -0.196 7.244 1.00 0.41 H new ATOM 0 HG13 VAL A 5 -2.432 1.570 7.238 1.00 0.41 H new ATOM 0 HG21 VAL A 5 -5.353 2.285 6.593 1.00 0.40 H new ATOM 0 HG22 VAL A 5 -3.925 3.016 5.822 1.00 0.40 H new ATOM 0 HG23 VAL A 5 -5.191 2.265 4.821 1.00 0.40 H new ATOM 84 N VAL A 6 -3.898 -0.609 2.899 1.00 0.27 N ATOM 85 CA VAL A 6 -4.642 -0.812 1.617 1.00 0.30 C ATOM 86 C VAL A 6 -5.929 -1.599 1.892 1.00 0.30 C ATOM 87 O VAL A 6 -5.913 -2.628 2.545 1.00 0.39 O ATOM 88 CB VAL A 6 -3.766 -1.575 0.607 1.00 0.37 C ATOM 89 CG1 VAL A 6 -2.557 -0.717 0.229 1.00 0.51 C ATOM 90 CG2 VAL A 6 -3.277 -2.895 1.216 1.00 0.45 C ATOM 0 H VAL A 6 -3.587 -1.466 3.357 1.00 0.27 H new ATOM 0 HA VAL A 6 -4.895 0.160 1.194 1.00 0.30 H new ATOM 0 HB VAL A 6 -4.361 -1.791 -0.281 1.00 0.37 H new ATOM 0 HG11 VAL A 6 -1.937 -1.257 -0.486 1.00 0.51 H new ATOM 0 HG12 VAL A 6 -2.899 0.216 -0.219 1.00 0.51 H new ATOM 0 HG13 VAL A 6 -1.973 -0.498 1.123 1.00 0.51 H new ATOM 0 HG21 VAL A 6 -2.659 -3.424 0.490 1.00 0.45 H new ATOM 0 HG22 VAL A 6 -2.689 -2.687 2.110 1.00 0.45 H new ATOM 0 HG23 VAL A 6 -4.135 -3.513 1.481 1.00 0.45 H new ATOM 100 N ASN A 7 -7.044 -1.114 1.399 1.00 0.31 N ATOM 101 CA ASN A 7 -8.344 -1.817 1.623 1.00 0.32 C ATOM 102 C ASN A 7 -8.846 -2.389 0.293 1.00 0.34 C ATOM 103 O ASN A 7 -9.137 -1.656 -0.639 1.00 0.41 O ATOM 104 CB ASN A 7 -9.372 -0.824 2.180 1.00 0.38 C ATOM 105 CG ASN A 7 -9.201 -0.709 3.698 1.00 0.46 C ATOM 106 OD1 ASN A 7 -9.971 -1.274 4.450 1.00 0.62 O ATOM 107 ND2 ASN A 7 -8.220 0.003 4.185 1.00 0.63 N ATOM 0 H ASN A 7 -7.108 -0.257 0.849 1.00 0.31 H new ATOM 0 HA ASN A 7 -8.204 -2.629 2.337 1.00 0.32 H new ATOM 0 HB2 ASN A 7 -9.240 0.152 1.714 1.00 0.38 H new ATOM 0 HB3 ASN A 7 -10.382 -1.158 1.941 1.00 0.38 H new ATOM 0 HD21 ASN A 7 -8.101 0.084 5.195 1.00 0.63 H new ATOM 0 HD22 ASN A 7 -7.573 0.478 3.555 1.00 0.63 H new ATOM 114 N ASP A 8 -8.945 -3.694 0.198 1.00 0.34 N ATOM 115 CA ASP A 8 -9.422 -4.330 -1.068 1.00 0.36 C ATOM 116 C ASP A 8 -10.946 -4.187 -1.176 1.00 0.40 C ATOM 117 O ASP A 8 -11.659 -4.282 -0.192 1.00 0.46 O ATOM 118 CB ASP A 8 -9.042 -5.817 -1.068 1.00 0.38 C ATOM 119 CG ASP A 8 -8.894 -6.320 -2.509 1.00 0.42 C ATOM 120 OD1 ASP A 8 -9.900 -6.682 -3.099 1.00 0.59 O ATOM 121 OD2 ASP A 8 -7.775 -6.340 -2.997 1.00 0.47 O ATOM 0 H ASP A 8 -8.715 -4.347 0.947 1.00 0.34 H new ATOM 0 HA ASP A 8 -8.954 -3.836 -1.920 1.00 0.36 H new ATOM 0 HB2 ASP A 8 -8.108 -5.962 -0.526 1.00 0.38 H new ATOM 0 HB3 ASP A 8 -9.805 -6.396 -0.548 1.00 0.38 H new ATOM 126 N ARG A 9 -11.444 -3.961 -2.373 1.00 0.44 N ATOM 127 CA ARG A 9 -12.920 -3.809 -2.568 1.00 0.49 C ATOM 128 C ARG A 9 -13.631 -5.119 -2.196 1.00 0.50 C ATOM 129 O ARG A 9 -14.720 -5.103 -1.650 1.00 0.58 O ATOM 130 CB ARG A 9 -13.213 -3.458 -4.033 1.00 0.56 C ATOM 131 CG ARG A 9 -14.677 -3.022 -4.183 1.00 0.85 C ATOM 132 CD ARG A 9 -14.864 -1.621 -3.591 1.00 1.27 C ATOM 133 NE ARG A 9 -14.001 -0.647 -4.322 1.00 1.23 N ATOM 134 CZ ARG A 9 -13.489 0.377 -3.691 1.00 1.86 C ATOM 135 NH1 ARG A 9 -12.757 0.186 -2.623 1.00 2.67 N ATOM 136 NH2 ARG A 9 -13.706 1.590 -4.133 1.00 2.09 N ATOM 0 H ARG A 9 -10.887 -3.876 -3.223 1.00 0.44 H new ATOM 0 HA ARG A 9 -13.287 -3.008 -1.926 1.00 0.49 H new ATOM 0 HB2 ARG A 9 -12.551 -2.658 -4.364 1.00 0.56 H new ATOM 0 HB3 ARG A 9 -13.014 -4.320 -4.669 1.00 0.56 H new ATOM 0 HG2 ARG A 9 -14.960 -3.023 -5.236 1.00 0.85 H new ATOM 0 HG3 ARG A 9 -15.331 -3.731 -3.676 1.00 0.85 H new ATOM 0 HD2 ARG A 9 -15.909 -1.321 -3.664 1.00 1.27 H new ATOM 0 HD3 ARG A 9 -14.607 -1.626 -2.532 1.00 1.27 H new ATOM 0 HE ARG A 9 -13.811 -0.781 -5.315 1.00 1.23 H new ATOM 0 HH11 ARG A 9 -12.587 -0.761 -2.284 1.00 2.67 H new ATOM 0 HH12 ARG A 9 -12.357 0.984 -2.130 1.00 2.67 H new ATOM 0 HH21 ARG A 9 -14.274 1.735 -4.968 1.00 2.09 H new ATOM 0 HH22 ARG A 9 -13.308 2.391 -3.642 1.00 2.09 H new ATOM 150 N LEU A 10 -13.019 -6.250 -2.477 1.00 0.51 N ATOM 151 CA LEU A 10 -13.651 -7.564 -2.130 1.00 0.58 C ATOM 152 C LEU A 10 -13.769 -7.682 -0.604 1.00 0.58 C ATOM 153 O LEU A 10 -14.818 -8.017 -0.081 1.00 0.71 O ATOM 154 CB LEU A 10 -12.785 -8.710 -2.665 1.00 0.66 C ATOM 155 CG LEU A 10 -13.273 -9.121 -4.059 1.00 1.11 C ATOM 156 CD1 LEU A 10 -12.132 -8.959 -5.070 1.00 1.47 C ATOM 157 CD2 LEU A 10 -13.727 -10.585 -4.031 1.00 1.62 C ATOM 0 H LEU A 10 -12.109 -6.317 -2.932 1.00 0.51 H new ATOM 0 HA LEU A 10 -14.642 -7.621 -2.580 1.00 0.58 H new ATOM 0 HB2 LEU A 10 -11.742 -8.398 -2.712 1.00 0.66 H new ATOM 0 HB3 LEU A 10 -12.833 -9.562 -1.987 1.00 0.66 H new ATOM 0 HG LEU A 10 -14.110 -8.487 -4.352 1.00 1.11 H new ATOM 0 HD11 LEU A 10 -12.480 -9.251 -6.061 1.00 1.47 H new ATOM 0 HD12 LEU A 10 -11.810 -7.918 -5.091 1.00 1.47 H new ATOM 0 HD13 LEU A 10 -11.294 -9.592 -4.778 1.00 1.47 H new ATOM 0 HD21 LEU A 10 -14.074 -10.877 -5.022 1.00 1.62 H new ATOM 0 HD22 LEU A 10 -12.891 -11.220 -3.737 1.00 1.62 H new ATOM 0 HD23 LEU A 10 -14.539 -10.700 -3.314 1.00 1.62 H new ATOM 169 N GLY A 11 -12.701 -7.403 0.108 1.00 0.53 N ATOM 170 CA GLY A 11 -12.735 -7.488 1.601 1.00 0.57 C ATOM 171 C GLY A 11 -11.374 -7.958 2.123 1.00 0.54 C ATOM 172 O GLY A 11 -11.251 -9.042 2.664 1.00 0.69 O ATOM 0 H GLY A 11 -11.804 -7.119 -0.285 1.00 0.53 H new ATOM 0 HA2 GLY A 11 -12.981 -6.514 2.025 1.00 0.57 H new ATOM 0 HA3 GLY A 11 -13.515 -8.180 1.918 1.00 0.57 H new ATOM 176 N LYS A 12 -10.352 -7.146 1.964 1.00 0.43 N ATOM 177 CA LYS A 12 -8.992 -7.532 2.447 1.00 0.42 C ATOM 178 C LYS A 12 -8.235 -6.282 2.916 1.00 0.41 C ATOM 179 O LYS A 12 -7.761 -5.494 2.115 1.00 0.48 O ATOM 180 CB LYS A 12 -8.218 -8.209 1.308 1.00 0.46 C ATOM 181 CG LYS A 12 -7.877 -9.649 1.701 1.00 0.64 C ATOM 182 CD LYS A 12 -7.904 -10.540 0.457 1.00 0.74 C ATOM 183 CE LYS A 12 -9.250 -11.267 0.370 1.00 1.13 C ATOM 184 NZ LYS A 12 -10.071 -10.671 -0.725 1.00 1.56 N ATOM 0 H LYS A 12 -10.406 -6.230 1.518 1.00 0.43 H new ATOM 0 HA LYS A 12 -9.088 -8.226 3.282 1.00 0.42 H new ATOM 0 HB2 LYS A 12 -8.814 -8.202 0.396 1.00 0.46 H new ATOM 0 HB3 LYS A 12 -7.304 -7.654 1.096 1.00 0.46 H new ATOM 0 HG2 LYS A 12 -6.892 -9.686 2.166 1.00 0.64 H new ATOM 0 HG3 LYS A 12 -8.592 -10.015 2.438 1.00 0.64 H new ATOM 0 HD2 LYS A 12 -7.747 -9.937 -0.437 1.00 0.74 H new ATOM 0 HD3 LYS A 12 -7.091 -11.265 0.499 1.00 0.74 H new ATOM 0 HE2 LYS A 12 -9.090 -12.329 0.182 1.00 1.13 H new ATOM 0 HE3 LYS A 12 -9.779 -11.188 1.319 1.00 1.13 H new ATOM 0 HZ1 LYS A 12 -10.991 -11.154 -0.772 1.00 1.56 H new ATOM 0 HZ2 LYS A 12 -10.221 -9.659 -0.536 1.00 1.56 H new ATOM 0 HZ3 LYS A 12 -9.574 -10.784 -1.632 1.00 1.56 H new ATOM 198 N LYS A 13 -8.118 -6.099 4.210 1.00 0.40 N ATOM 199 CA LYS A 13 -7.393 -4.906 4.749 1.00 0.41 C ATOM 200 C LYS A 13 -5.971 -5.315 5.157 1.00 0.40 C ATOM 201 O LYS A 13 -5.778 -6.101 6.069 1.00 0.50 O ATOM 202 CB LYS A 13 -8.146 -4.358 5.966 1.00 0.46 C ATOM 203 CG LYS A 13 -7.749 -2.898 6.201 1.00 0.57 C ATOM 204 CD LYS A 13 -6.935 -2.786 7.495 1.00 0.61 C ATOM 205 CE LYS A 13 -5.706 -1.904 7.256 1.00 0.70 C ATOM 206 NZ LYS A 13 -4.471 -2.648 7.637 1.00 0.76 N ATOM 0 H LYS A 13 -8.496 -6.728 4.918 1.00 0.40 H new ATOM 0 HA LYS A 13 -7.339 -4.133 3.983 1.00 0.41 H new ATOM 0 HB2 LYS A 13 -9.221 -4.431 5.804 1.00 0.46 H new ATOM 0 HB3 LYS A 13 -7.915 -4.955 6.848 1.00 0.46 H new ATOM 0 HG2 LYS A 13 -7.163 -2.530 5.359 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -8.641 -2.274 6.266 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -7.551 -2.362 8.288 1.00 0.61 H new ATOM 0 HD3 LYS A 13 -6.625 -3.776 7.828 1.00 0.61 H new ATOM 0 HE2 LYS A 13 -5.656 -1.610 6.208 1.00 0.70 H new ATOM 0 HE3 LYS A 13 -5.785 -0.988 7.841 1.00 0.70 H new ATOM 0 HZ1 LYS A 13 -3.683 -2.348 7.028 1.00 0.76 H new ATOM 0 HZ2 LYS A 13 -4.237 -2.446 8.630 1.00 0.76 H new ATOM 0 HZ3 LYS A 13 -4.631 -3.669 7.519 1.00 0.76 H new ATOM 220 N VAL A 14 -4.977 -4.789 4.479 1.00 0.35 N ATOM 221 CA VAL A 14 -3.558 -5.141 4.808 1.00 0.37 C ATOM 222 C VAL A 14 -2.749 -3.858 5.044 1.00 0.33 C ATOM 223 O VAL A 14 -2.961 -2.850 4.394 1.00 0.37 O ATOM 224 CB VAL A 14 -2.940 -5.932 3.645 1.00 0.42 C ATOM 225 CG1 VAL A 14 -1.570 -6.480 4.060 1.00 0.54 C ATOM 226 CG2 VAL A 14 -3.857 -7.102 3.270 1.00 0.52 C ATOM 0 H VAL A 14 -5.088 -4.129 3.709 1.00 0.35 H new ATOM 0 HA VAL A 14 -3.539 -5.751 5.711 1.00 0.37 H new ATOM 0 HB VAL A 14 -2.823 -5.269 2.788 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -1.136 -7.040 3.232 1.00 0.54 H new ATOM 0 HG12 VAL A 14 -0.911 -5.652 4.323 1.00 0.54 H new ATOM 0 HG13 VAL A 14 -1.687 -7.138 4.921 1.00 0.54 H new ATOM 0 HG21 VAL A 14 -3.415 -7.661 2.445 1.00 0.52 H new ATOM 0 HG22 VAL A 14 -3.977 -7.760 4.130 1.00 0.52 H new ATOM 0 HG23 VAL A 14 -4.831 -6.718 2.968 1.00 0.52 H new ATOM 236 N ARG A 15 -1.816 -3.898 5.968 1.00 0.35 N ATOM 237 CA ARG A 15 -0.974 -2.695 6.257 1.00 0.34 C ATOM 238 C ARG A 15 0.451 -2.935 5.738 1.00 0.33 C ATOM 239 O ARG A 15 1.013 -4.004 5.912 1.00 0.45 O ATOM 240 CB ARG A 15 -0.939 -2.431 7.768 1.00 0.40 C ATOM 241 CG ARG A 15 -0.281 -3.609 8.496 1.00 0.49 C ATOM 242 CD ARG A 15 -1.058 -3.917 9.779 1.00 0.81 C ATOM 243 NE ARG A 15 -1.430 -5.361 9.803 1.00 0.90 N ATOM 244 CZ ARG A 15 -2.611 -5.745 9.395 1.00 1.39 C ATOM 245 NH1 ARG A 15 -3.659 -5.557 10.155 1.00 1.86 N ATOM 246 NH2 ARG A 15 -2.744 -6.325 8.232 1.00 1.74 N ATOM 0 H ARG A 15 -1.602 -4.718 6.536 1.00 0.35 H new ATOM 0 HA ARG A 15 -1.402 -1.826 5.757 1.00 0.34 H new ATOM 0 HB2 ARG A 15 -0.386 -1.514 7.972 1.00 0.40 H new ATOM 0 HB3 ARG A 15 -1.952 -2.283 8.142 1.00 0.40 H new ATOM 0 HG2 ARG A 15 -0.264 -4.486 7.849 1.00 0.49 H new ATOM 0 HG3 ARG A 15 0.755 -3.369 8.735 1.00 0.49 H new ATOM 0 HD2 ARG A 15 -0.452 -3.673 10.651 1.00 0.81 H new ATOM 0 HD3 ARG A 15 -1.954 -3.299 9.831 1.00 0.81 H new ATOM 0 HE ARG A 15 -0.760 -6.052 10.139 1.00 0.90 H new ATOM 0 HH11 ARG A 15 -3.555 -5.111 11.066 1.00 1.86 H new ATOM 0 HH12 ARG A 15 -4.580 -5.857 9.836 1.00 1.86 H new ATOM 0 HH21 ARG A 15 -1.926 -6.478 7.642 1.00 1.74 H new ATOM 0 HH22 ARG A 15 -3.666 -6.625 7.914 1.00 1.74 H new ATOM 260 N VAL A 16 1.034 -1.951 5.100 1.00 0.29 N ATOM 261 CA VAL A 16 2.419 -2.111 4.560 1.00 0.30 C ATOM 262 C VAL A 16 3.172 -0.773 4.659 1.00 0.28 C ATOM 263 O VAL A 16 2.617 0.283 4.403 1.00 0.28 O ATOM 264 CB VAL A 16 2.342 -2.588 3.098 1.00 0.35 C ATOM 265 CG1 VAL A 16 1.571 -1.577 2.241 1.00 0.43 C ATOM 266 CG2 VAL A 16 3.754 -2.761 2.532 1.00 0.52 C ATOM 0 H VAL A 16 0.608 -1.040 4.929 1.00 0.29 H new ATOM 0 HA VAL A 16 2.962 -2.854 5.144 1.00 0.30 H new ATOM 0 HB VAL A 16 1.818 -3.544 3.075 1.00 0.35 H new ATOM 0 HG11 VAL A 16 1.527 -1.932 1.211 1.00 0.43 H new ATOM 0 HG12 VAL A 16 0.559 -1.467 2.630 1.00 0.43 H new ATOM 0 HG13 VAL A 16 2.078 -0.613 2.271 1.00 0.43 H new ATOM 0 HG21 VAL A 16 3.692 -3.099 1.497 1.00 0.52 H new ATOM 0 HG22 VAL A 16 4.281 -1.808 2.572 1.00 0.52 H new ATOM 0 HG23 VAL A 16 4.295 -3.500 3.123 1.00 0.52 H new ATOM 276 N LYS A 17 4.431 -0.812 5.038 1.00 0.32 N ATOM 277 CA LYS A 17 5.226 0.453 5.168 1.00 0.31 C ATOM 278 C LYS A 17 6.295 0.528 4.068 1.00 0.30 C ATOM 279 O LYS A 17 6.949 -0.451 3.752 1.00 0.40 O ATOM 280 CB LYS A 17 5.901 0.513 6.551 1.00 0.37 C ATOM 281 CG LYS A 17 6.865 -0.669 6.734 1.00 0.44 C ATOM 282 CD LYS A 17 6.735 -1.220 8.158 1.00 0.88 C ATOM 283 CE LYS A 17 7.830 -2.261 8.414 1.00 1.52 C ATOM 284 NZ LYS A 17 7.529 -3.010 9.671 1.00 2.31 N ATOM 0 H LYS A 17 4.941 -1.666 5.263 1.00 0.32 H new ATOM 0 HA LYS A 17 4.549 1.300 5.061 1.00 0.31 H new ATOM 0 HB2 LYS A 17 6.444 1.452 6.656 1.00 0.37 H new ATOM 0 HB3 LYS A 17 5.142 0.495 7.333 1.00 0.37 H new ATOM 0 HG2 LYS A 17 6.640 -1.451 6.008 1.00 0.44 H new ATOM 0 HG3 LYS A 17 7.890 -0.348 6.549 1.00 0.44 H new ATOM 0 HD2 LYS A 17 6.816 -0.408 8.881 1.00 0.88 H new ATOM 0 HD3 LYS A 17 5.752 -1.671 8.295 1.00 0.88 H new ATOM 0 HE2 LYS A 17 7.892 -2.952 7.573 1.00 1.52 H new ATOM 0 HE3 LYS A 17 8.800 -1.770 8.495 1.00 1.52 H new ATOM 0 HZ1 LYS A 17 8.274 -3.715 9.842 1.00 2.31 H new ATOM 0 HZ2 LYS A 17 7.492 -2.346 10.470 1.00 2.31 H new ATOM 0 HZ3 LYS A 17 6.612 -3.491 9.577 1.00 2.31 H new ATOM 298 N CYS A 18 6.476 1.694 3.489 1.00 0.26 N ATOM 299 CA CYS A 18 7.502 1.870 2.411 1.00 0.27 C ATOM 300 C CYS A 18 7.951 3.339 2.359 1.00 0.26 C ATOM 301 O CYS A 18 7.292 4.218 2.886 1.00 0.37 O ATOM 302 CB CYS A 18 6.900 1.470 1.059 1.00 0.33 C ATOM 303 SG CYS A 18 7.857 0.106 0.351 1.00 0.90 S ATOM 0 H CYS A 18 5.951 2.538 3.720 1.00 0.26 H new ATOM 0 HA CYS A 18 8.363 1.237 2.626 1.00 0.27 H new ATOM 0 HB2 CYS A 18 5.860 1.171 1.187 1.00 0.33 H new ATOM 0 HB3 CYS A 18 6.905 2.323 0.380 1.00 0.33 H new ATOM 0 HG CYS A 18 7.809 0.170 -0.947 1.00 0.90 H new ATOM 309 N LEU A 19 9.066 3.613 1.717 1.00 0.29 N ATOM 310 CA LEU A 19 9.560 5.021 1.618 1.00 0.31 C ATOM 311 C LEU A 19 8.811 5.739 0.491 1.00 0.33 C ATOM 312 O LEU A 19 8.473 5.145 -0.519 1.00 0.34 O ATOM 313 CB LEU A 19 11.064 5.019 1.311 1.00 0.39 C ATOM 314 CG LEU A 19 11.858 5.413 2.562 1.00 0.50 C ATOM 315 CD1 LEU A 19 13.097 4.520 2.684 1.00 0.88 C ATOM 316 CD2 LEU A 19 12.298 6.878 2.453 1.00 0.90 C ATOM 0 H LEU A 19 9.654 2.918 1.257 1.00 0.29 H new ATOM 0 HA LEU A 19 9.386 5.536 2.563 1.00 0.31 H new ATOM 0 HB2 LEU A 19 11.372 4.030 0.972 1.00 0.39 H new ATOM 0 HB3 LEU A 19 11.278 5.715 0.500 1.00 0.39 H new ATOM 0 HG LEU A 19 11.228 5.287 3.443 1.00 0.50 H new ATOM 0 HD11 LEU A 19 13.661 4.800 3.573 1.00 0.88 H new ATOM 0 HD12 LEU A 19 12.788 3.478 2.764 1.00 0.88 H new ATOM 0 HD13 LEU A 19 13.724 4.646 1.802 1.00 0.88 H new ATOM 0 HD21 LEU A 19 12.862 7.156 3.343 1.00 0.90 H new ATOM 0 HD22 LEU A 19 12.926 7.005 1.571 1.00 0.90 H new ATOM 0 HD23 LEU A 19 11.419 7.517 2.367 1.00 0.90 H new ATOM 328 N ALA A 20 8.555 7.017 0.654 1.00 0.42 N ATOM 329 CA ALA A 20 7.834 7.791 -0.406 1.00 0.50 C ATOM 330 C ALA A 20 8.677 7.834 -1.690 1.00 0.49 C ATOM 331 O ALA A 20 8.154 8.026 -2.774 1.00 0.54 O ATOM 332 CB ALA A 20 7.577 9.218 0.088 1.00 0.63 C ATOM 0 H ALA A 20 8.816 7.558 1.479 1.00 0.42 H new ATOM 0 HA ALA A 20 6.883 7.303 -0.621 1.00 0.50 H new ATOM 0 HB1 ALA A 20 7.052 9.781 -0.684 1.00 0.63 H new ATOM 0 HB2 ALA A 20 6.968 9.186 0.991 1.00 0.63 H new ATOM 0 HB3 ALA A 20 8.528 9.704 0.308 1.00 0.63 H new ATOM 338 N GLU A 21 9.975 7.648 -1.576 1.00 0.48 N ATOM 339 CA GLU A 21 10.858 7.669 -2.784 1.00 0.53 C ATOM 340 C GLU A 21 10.811 6.306 -3.489 1.00 0.43 C ATOM 341 O GLU A 21 11.118 6.204 -4.663 1.00 0.47 O ATOM 342 CB GLU A 21 12.304 7.977 -2.365 1.00 0.68 C ATOM 343 CG GLU A 21 12.803 6.921 -1.366 1.00 0.70 C ATOM 344 CD GLU A 21 13.796 5.977 -2.055 1.00 0.79 C ATOM 345 OE1 GLU A 21 14.931 6.382 -2.252 1.00 1.01 O ATOM 346 OE2 GLU A 21 13.407 4.864 -2.370 1.00 0.79 O ATOM 0 H GLU A 21 10.459 7.482 -0.694 1.00 0.48 H new ATOM 0 HA GLU A 21 10.505 8.441 -3.467 1.00 0.53 H new ATOM 0 HB2 GLU A 21 12.950 7.991 -3.243 1.00 0.68 H new ATOM 0 HB3 GLU A 21 12.357 8.968 -1.914 1.00 0.68 H new ATOM 0 HG2 GLU A 21 13.281 7.409 -0.517 1.00 0.70 H new ATOM 0 HG3 GLU A 21 11.960 6.352 -0.974 1.00 0.70 H new ATOM 353 N ASP A 22 10.433 5.261 -2.783 1.00 0.36 N ATOM 354 CA ASP A 22 10.371 3.905 -3.410 1.00 0.35 C ATOM 355 C ASP A 22 9.330 3.897 -4.534 1.00 0.32 C ATOM 356 O ASP A 22 8.365 4.643 -4.508 1.00 0.43 O ATOM 357 CB ASP A 22 9.995 2.859 -2.351 1.00 0.35 C ATOM 358 CG ASP A 22 11.263 2.160 -1.848 1.00 0.36 C ATOM 359 OD1 ASP A 22 11.717 1.245 -2.515 1.00 0.52 O ATOM 360 OD2 ASP A 22 11.759 2.553 -0.804 1.00 0.57 O ATOM 0 H ASP A 22 10.165 5.293 -1.799 1.00 0.36 H new ATOM 0 HA ASP A 22 11.349 3.661 -3.826 1.00 0.35 H new ATOM 0 HB2 ASP A 22 9.477 3.338 -1.520 1.00 0.35 H new ATOM 0 HB3 ASP A 22 9.308 2.127 -2.776 1.00 0.35 H new ATOM 365 N SER A 23 9.528 3.061 -5.525 1.00 0.36 N ATOM 366 CA SER A 23 8.566 2.996 -6.667 1.00 0.41 C ATOM 367 C SER A 23 7.357 2.126 -6.298 1.00 0.37 C ATOM 368 O SER A 23 7.394 1.362 -5.350 1.00 0.39 O ATOM 369 CB SER A 23 9.267 2.402 -7.895 1.00 0.55 C ATOM 370 OG SER A 23 9.718 1.083 -7.596 1.00 0.64 O ATOM 0 H SER A 23 10.318 2.419 -5.591 1.00 0.36 H new ATOM 0 HA SER A 23 8.220 4.005 -6.893 1.00 0.41 H new ATOM 0 HB2 SER A 23 8.582 2.380 -8.742 1.00 0.55 H new ATOM 0 HB3 SER A 23 10.111 3.029 -8.184 1.00 0.55 H new ATOM 0 HG SER A 23 10.164 0.704 -8.382 1.00 0.64 H new ATOM 376 N VAL A 24 6.290 2.232 -7.059 1.00 0.38 N ATOM 377 CA VAL A 24 5.071 1.407 -6.783 1.00 0.39 C ATOM 378 C VAL A 24 5.442 -0.078 -6.904 1.00 0.36 C ATOM 379 O VAL A 24 4.931 -0.909 -6.175 1.00 0.38 O ATOM 380 CB VAL A 24 3.971 1.757 -7.793 1.00 0.43 C ATOM 381 CG1 VAL A 24 2.738 0.879 -7.554 1.00 0.48 C ATOM 382 CG2 VAL A 24 3.582 3.232 -7.631 1.00 0.45 C ATOM 0 H VAL A 24 6.213 2.857 -7.861 1.00 0.38 H new ATOM 0 HA VAL A 24 4.702 1.612 -5.778 1.00 0.39 H new ATOM 0 HB VAL A 24 4.345 1.581 -8.802 1.00 0.43 H new ATOM 0 HG11 VAL A 24 1.963 1.136 -8.276 1.00 0.48 H new ATOM 0 HG12 VAL A 24 3.010 -0.170 -7.671 1.00 0.48 H new ATOM 0 HG13 VAL A 24 2.363 1.046 -6.544 1.00 0.48 H new ATOM 0 HG21 VAL A 24 2.800 3.483 -8.348 1.00 0.45 H new ATOM 0 HG22 VAL A 24 3.215 3.402 -6.619 1.00 0.45 H new ATOM 0 HG23 VAL A 24 4.454 3.860 -7.811 1.00 0.45 H new ATOM 392 N GLY A 25 6.342 -0.409 -7.807 1.00 0.37 N ATOM 393 CA GLY A 25 6.773 -1.832 -7.969 1.00 0.38 C ATOM 394 C GLY A 25 7.352 -2.334 -6.642 1.00 0.36 C ATOM 395 O GLY A 25 7.040 -3.422 -6.195 1.00 0.42 O ATOM 0 H GLY A 25 6.795 0.251 -8.439 1.00 0.37 H new ATOM 0 HA2 GLY A 25 5.926 -2.450 -8.268 1.00 0.38 H new ATOM 0 HA3 GLY A 25 7.520 -1.911 -8.759 1.00 0.38 H new ATOM 399 N ASP A 26 8.175 -1.530 -6.002 1.00 0.33 N ATOM 400 CA ASP A 26 8.765 -1.928 -4.688 1.00 0.34 C ATOM 401 C ASP A 26 7.651 -1.977 -3.633 1.00 0.31 C ATOM 402 O ASP A 26 7.639 -2.838 -2.773 1.00 0.33 O ATOM 403 CB ASP A 26 9.825 -0.903 -4.268 1.00 0.39 C ATOM 404 CG ASP A 26 10.885 -1.584 -3.396 1.00 1.03 C ATOM 405 OD1 ASP A 26 10.658 -1.700 -2.202 1.00 1.59 O ATOM 406 OD2 ASP A 26 11.907 -1.976 -3.937 1.00 1.54 O ATOM 0 H ASP A 26 8.462 -0.611 -6.340 1.00 0.33 H new ATOM 0 HA ASP A 26 9.231 -2.909 -4.777 1.00 0.34 H new ATOM 0 HB2 ASP A 26 10.292 -0.466 -5.151 1.00 0.39 H new ATOM 0 HB3 ASP A 26 9.357 -0.087 -3.718 1.00 0.39 H new ATOM 411 N PHE A 27 6.710 -1.063 -3.713 1.00 0.30 N ATOM 412 CA PHE A 27 5.572 -1.040 -2.743 1.00 0.30 C ATOM 413 C PHE A 27 4.771 -2.342 -2.881 1.00 0.29 C ATOM 414 O PHE A 27 4.419 -2.972 -1.898 1.00 0.31 O ATOM 415 CB PHE A 27 4.674 0.160 -3.062 1.00 0.32 C ATOM 416 CG PHE A 27 3.600 0.297 -2.009 1.00 0.30 C ATOM 417 CD1 PHE A 27 3.901 0.870 -0.769 1.00 0.40 C ATOM 418 CD2 PHE A 27 2.302 -0.147 -2.278 1.00 0.39 C ATOM 419 CE1 PHE A 27 2.902 0.999 0.202 1.00 0.45 C ATOM 420 CE2 PHE A 27 1.303 -0.019 -1.308 1.00 0.43 C ATOM 421 CZ PHE A 27 1.602 0.554 -0.069 1.00 0.40 C ATOM 0 H PHE A 27 6.684 -0.326 -4.417 1.00 0.30 H new ATOM 0 HA PHE A 27 5.946 -0.953 -1.723 1.00 0.30 H new ATOM 0 HB2 PHE A 27 5.272 1.071 -3.104 1.00 0.32 H new ATOM 0 HB3 PHE A 27 4.218 0.032 -4.044 1.00 0.32 H new ATOM 0 HD1 PHE A 27 4.904 1.213 -0.561 1.00 0.40 H new ATOM 0 HD2 PHE A 27 2.071 -0.589 -3.236 1.00 0.39 H new ATOM 0 HE1 PHE A 27 3.133 1.441 1.160 1.00 0.45 H new ATOM 0 HE2 PHE A 27 0.301 -0.363 -1.516 1.00 0.43 H new ATOM 0 HZ PHE A 27 0.830 0.654 0.680 1.00 0.40 H new ATOM 431 N LYS A 28 4.496 -2.748 -4.100 1.00 0.31 N ATOM 432 CA LYS A 28 3.735 -4.013 -4.337 1.00 0.33 C ATOM 433 C LYS A 28 4.593 -5.210 -3.914 1.00 0.30 C ATOM 434 O LYS A 28 4.084 -6.202 -3.426 1.00 0.33 O ATOM 435 CB LYS A 28 3.392 -4.131 -5.826 1.00 0.38 C ATOM 436 CG LYS A 28 2.260 -3.160 -6.171 1.00 0.43 C ATOM 437 CD LYS A 28 1.655 -3.538 -7.528 1.00 0.56 C ATOM 438 CE LYS A 28 1.637 -2.315 -8.450 1.00 0.96 C ATOM 439 NZ LYS A 28 2.089 -2.710 -9.818 1.00 1.60 N ATOM 0 H LYS A 28 4.770 -2.250 -4.947 1.00 0.31 H new ATOM 0 HA LYS A 28 2.815 -4.000 -3.752 1.00 0.33 H new ATOM 0 HB2 LYS A 28 4.271 -3.910 -6.431 1.00 0.38 H new ATOM 0 HB3 LYS A 28 3.093 -5.152 -6.061 1.00 0.38 H new ATOM 0 HG2 LYS A 28 1.492 -3.191 -5.398 1.00 0.43 H new ATOM 0 HG3 LYS A 28 2.640 -2.139 -6.202 1.00 0.43 H new ATOM 0 HD2 LYS A 28 2.236 -4.340 -7.984 1.00 0.56 H new ATOM 0 HD3 LYS A 28 0.642 -3.916 -7.392 1.00 0.56 H new ATOM 0 HE2 LYS A 28 0.632 -1.896 -8.495 1.00 0.96 H new ATOM 0 HE3 LYS A 28 2.289 -1.537 -8.051 1.00 0.96 H new ATOM 0 HZ1 LYS A 28 2.076 -1.878 -10.442 1.00 1.60 H new ATOM 0 HZ2 LYS A 28 3.056 -3.090 -9.768 1.00 1.60 H new ATOM 0 HZ3 LYS A 28 1.450 -3.438 -10.198 1.00 1.60 H new ATOM 453 N LYS A 29 5.894 -5.116 -4.092 1.00 0.30 N ATOM 454 CA LYS A 29 6.805 -6.236 -3.699 1.00 0.31 C ATOM 455 C LYS A 29 6.695 -6.483 -2.190 1.00 0.29 C ATOM 456 O LYS A 29 6.609 -7.615 -1.747 1.00 0.34 O ATOM 457 CB LYS A 29 8.248 -5.866 -4.049 1.00 0.36 C ATOM 458 CG LYS A 29 8.519 -6.190 -5.521 1.00 0.50 C ATOM 459 CD LYS A 29 9.669 -7.198 -5.619 1.00 1.10 C ATOM 460 CE LYS A 29 9.110 -8.597 -5.902 1.00 1.88 C ATOM 461 NZ LYS A 29 9.082 -9.399 -4.643 1.00 2.50 N ATOM 0 H LYS A 29 6.363 -4.305 -4.495 1.00 0.30 H new ATOM 0 HA LYS A 29 6.519 -7.140 -4.236 1.00 0.31 H new ATOM 0 HB2 LYS A 29 8.418 -4.806 -3.862 1.00 0.36 H new ATOM 0 HB3 LYS A 29 8.940 -6.416 -3.412 1.00 0.36 H new ATOM 0 HG2 LYS A 29 7.622 -6.599 -5.985 1.00 0.50 H new ATOM 0 HG3 LYS A 29 8.772 -5.280 -6.064 1.00 0.50 H new ATOM 0 HD2 LYS A 29 10.356 -6.904 -6.412 1.00 1.10 H new ATOM 0 HD3 LYS A 29 10.239 -7.205 -4.690 1.00 1.10 H new ATOM 0 HE2 LYS A 29 8.105 -8.519 -6.316 1.00 1.88 H new ATOM 0 HE3 LYS A 29 9.724 -9.099 -6.649 1.00 1.88 H new ATOM 0 HZ1 LYS A 29 8.702 -10.346 -4.843 1.00 2.50 H new ATOM 0 HZ2 LYS A 29 10.047 -9.486 -4.265 1.00 2.50 H new ATOM 0 HZ3 LYS A 29 8.478 -8.924 -3.942 1.00 2.50 H new ATOM 475 N VAL A 30 6.688 -5.429 -1.399 1.00 0.28 N ATOM 476 CA VAL A 30 6.573 -5.594 0.085 1.00 0.29 C ATOM 477 C VAL A 30 5.205 -6.209 0.417 1.00 0.28 C ATOM 478 O VAL A 30 5.099 -7.069 1.274 1.00 0.33 O ATOM 479 CB VAL A 30 6.708 -4.228 0.778 1.00 0.32 C ATOM 480 CG1 VAL A 30 6.777 -4.427 2.296 1.00 0.36 C ATOM 481 CG2 VAL A 30 7.986 -3.527 0.306 1.00 0.37 C ATOM 0 H VAL A 30 6.757 -4.464 -1.721 1.00 0.28 H new ATOM 0 HA VAL A 30 7.368 -6.249 0.440 1.00 0.29 H new ATOM 0 HB VAL A 30 5.843 -3.615 0.525 1.00 0.32 H new ATOM 0 HG11 VAL A 30 6.873 -3.458 2.786 1.00 0.36 H new ATOM 0 HG12 VAL A 30 5.867 -4.919 2.640 1.00 0.36 H new ATOM 0 HG13 VAL A 30 7.640 -5.045 2.543 1.00 0.36 H new ATOM 0 HG21 VAL A 30 8.075 -2.560 0.801 1.00 0.37 H new ATOM 0 HG22 VAL A 30 8.851 -4.142 0.554 1.00 0.37 H new ATOM 0 HG23 VAL A 30 7.943 -3.379 -0.773 1.00 0.37 H new ATOM 491 N LEU A 31 4.164 -5.784 -0.266 1.00 0.27 N ATOM 492 CA LEU A 31 2.801 -6.349 -0.009 1.00 0.30 C ATOM 493 C LEU A 31 2.772 -7.827 -0.422 1.00 0.32 C ATOM 494 O LEU A 31 2.131 -8.642 0.216 1.00 0.38 O ATOM 495 CB LEU A 31 1.760 -5.576 -0.827 1.00 0.32 C ATOM 496 CG LEU A 31 1.280 -4.357 -0.035 1.00 0.39 C ATOM 497 CD1 LEU A 31 0.804 -3.273 -1.006 1.00 0.50 C ATOM 498 CD2 LEU A 31 0.123 -4.765 0.883 1.00 0.55 C ATOM 0 H LEU A 31 4.202 -5.068 -0.992 1.00 0.27 H new ATOM 0 HA LEU A 31 2.570 -6.260 1.053 1.00 0.30 H new ATOM 0 HB2 LEU A 31 2.193 -5.258 -1.776 1.00 0.32 H new ATOM 0 HB3 LEU A 31 0.916 -6.223 -1.063 1.00 0.32 H new ATOM 0 HG LEU A 31 2.101 -3.970 0.568 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.462 -2.405 -0.443 1.00 0.50 H new ATOM 0 HD12 LEU A 31 1.627 -2.981 -1.658 1.00 0.50 H new ATOM 0 HD13 LEU A 31 -0.017 -3.660 -1.610 1.00 0.50 H new ATOM 0 HD21 LEU A 31 -0.218 -3.897 1.446 1.00 0.55 H new ATOM 0 HD22 LEU A 31 -0.699 -5.153 0.282 1.00 0.55 H new ATOM 0 HD23 LEU A 31 0.462 -5.536 1.575 1.00 0.55 H new ATOM 510 N SER A 32 3.465 -8.171 -1.486 1.00 0.32 N ATOM 511 CA SER A 32 3.492 -9.593 -1.961 1.00 0.37 C ATOM 512 C SER A 32 4.117 -10.498 -0.891 1.00 0.39 C ATOM 513 O SER A 32 3.725 -11.638 -0.734 1.00 0.47 O ATOM 514 CB SER A 32 4.322 -9.686 -3.245 1.00 0.39 C ATOM 515 OG SER A 32 3.744 -8.857 -4.246 1.00 0.44 O ATOM 0 H SER A 32 4.016 -7.522 -2.048 1.00 0.32 H new ATOM 0 HA SER A 32 2.470 -9.920 -2.154 1.00 0.37 H new ATOM 0 HB2 SER A 32 5.349 -9.376 -3.050 1.00 0.39 H new ATOM 0 HB3 SER A 32 4.361 -10.719 -3.591 1.00 0.39 H new ATOM 0 HG SER A 32 3.858 -7.916 -3.997 1.00 0.44 H new ATOM 521 N LEU A 33 5.084 -10.001 -0.155 1.00 0.38 N ATOM 522 CA LEU A 33 5.730 -10.833 0.908 1.00 0.44 C ATOM 523 C LEU A 33 4.735 -11.084 2.053 1.00 0.45 C ATOM 524 O LEU A 33 4.828 -12.075 2.754 1.00 0.53 O ATOM 525 CB LEU A 33 6.959 -10.099 1.456 1.00 0.48 C ATOM 526 CG LEU A 33 8.088 -10.143 0.422 1.00 0.52 C ATOM 527 CD1 LEU A 33 8.918 -8.861 0.516 1.00 0.62 C ATOM 528 CD2 LEU A 33 8.985 -11.352 0.696 1.00 0.72 C ATOM 0 H LEU A 33 5.453 -9.054 -0.246 1.00 0.38 H new ATOM 0 HA LEU A 33 6.033 -11.788 0.479 1.00 0.44 H new ATOM 0 HB2 LEU A 33 6.704 -9.065 1.687 1.00 0.48 H new ATOM 0 HB3 LEU A 33 7.287 -10.562 2.387 1.00 0.48 H new ATOM 0 HG LEU A 33 7.661 -10.226 -0.577 1.00 0.52 H new ATOM 0 HD11 LEU A 33 9.721 -8.893 -0.220 1.00 0.62 H new ATOM 0 HD12 LEU A 33 8.280 -7.999 0.320 1.00 0.62 H new ATOM 0 HD13 LEU A 33 9.345 -8.776 1.515 1.00 0.62 H new ATOM 0 HD21 LEU A 33 9.788 -11.383 -0.040 1.00 0.72 H new ATOM 0 HD22 LEU A 33 9.412 -11.269 1.696 1.00 0.72 H new ATOM 0 HD23 LEU A 33 8.395 -12.266 0.628 1.00 0.72 H new ATOM 540 N GLN A 34 3.793 -10.186 2.251 1.00 0.42 N ATOM 541 CA GLN A 34 2.796 -10.355 3.353 1.00 0.47 C ATOM 542 C GLN A 34 1.648 -11.282 2.921 1.00 0.51 C ATOM 543 O GLN A 34 1.242 -12.151 3.670 1.00 0.65 O ATOM 544 CB GLN A 34 2.226 -8.984 3.733 1.00 0.49 C ATOM 545 CG GLN A 34 3.308 -8.153 4.427 1.00 0.55 C ATOM 546 CD GLN A 34 2.716 -6.816 4.880 1.00 0.49 C ATOM 547 OE1 GLN A 34 2.447 -5.898 3.990 1.00 0.74 O flip ATOM 548 NE2 GLN A 34 2.498 -6.601 6.056 1.00 0.65 N flip ATOM 0 H GLN A 34 3.675 -9.341 1.692 1.00 0.42 H new ATOM 0 HA GLN A 34 3.299 -10.805 4.209 1.00 0.47 H new ATOM 0 HB2 GLN A 34 1.871 -8.466 2.842 1.00 0.49 H new ATOM 0 HB3 GLN A 34 1.367 -9.106 4.393 1.00 0.49 H new ATOM 0 HG2 GLN A 34 3.704 -8.696 5.285 1.00 0.55 H new ATOM 0 HG3 GLN A 34 4.142 -7.981 3.746 1.00 0.55 H new ATOM 0 HE21 GLN A 34 2.707 -7.316 6.753 1.00 0.65 H new ATOM 0 HE22 GLN A 34 2.106 -5.705 6.347 1.00 0.65 H new ATOM 557 N ILE A 35 1.106 -11.093 1.735 1.00 0.50 N ATOM 558 CA ILE A 35 -0.038 -11.957 1.284 1.00 0.58 C ATOM 559 C ILE A 35 0.412 -12.946 0.194 1.00 0.58 C ATOM 560 O ILE A 35 0.071 -14.114 0.243 1.00 0.67 O ATOM 561 CB ILE A 35 -1.186 -11.073 0.764 1.00 0.60 C ATOM 562 CG1 ILE A 35 -0.717 -10.227 -0.430 1.00 0.58 C ATOM 563 CG2 ILE A 35 -1.652 -10.144 1.887 1.00 0.63 C ATOM 564 CD1 ILE A 35 -1.871 -9.354 -0.934 1.00 0.67 C ATOM 0 H ILE A 35 1.404 -10.384 1.066 1.00 0.50 H new ATOM 0 HA ILE A 35 -0.390 -12.537 2.137 1.00 0.58 H new ATOM 0 HB ILE A 35 -2.006 -11.714 0.440 1.00 0.60 H new ATOM 0 HG12 ILE A 35 0.124 -9.599 -0.134 1.00 0.58 H new ATOM 0 HG13 ILE A 35 -0.364 -10.876 -1.231 1.00 0.58 H new ATOM 0 HG21 ILE A 35 -2.465 -9.515 1.525 1.00 0.63 H new ATOM 0 HG22 ILE A 35 -2.002 -10.740 2.730 1.00 0.63 H new ATOM 0 HG23 ILE A 35 -0.821 -9.515 2.207 1.00 0.63 H new ATOM 0 HD11 ILE A 35 -1.532 -8.757 -1.780 1.00 0.67 H new ATOM 0 HD12 ILE A 35 -2.699 -9.990 -1.247 1.00 0.67 H new ATOM 0 HD13 ILE A 35 -2.204 -8.693 -0.134 1.00 0.67 H new ATOM 576 N GLY A 36 1.170 -12.498 -0.782 1.00 0.52 N ATOM 577 CA GLY A 36 1.637 -13.421 -1.867 1.00 0.55 C ATOM 578 C GLY A 36 0.874 -13.137 -3.165 1.00 0.54 C ATOM 579 O GLY A 36 0.285 -14.027 -3.752 1.00 0.61 O ATOM 0 H GLY A 36 1.485 -11.532 -0.873 1.00 0.52 H new ATOM 0 HA2 GLY A 36 2.707 -13.292 -2.029 1.00 0.55 H new ATOM 0 HA3 GLY A 36 1.483 -14.457 -1.565 1.00 0.55 H new ATOM 583 N THR A 37 0.884 -11.905 -3.615 1.00 0.50 N ATOM 584 CA THR A 37 0.163 -11.544 -4.882 1.00 0.52 C ATOM 585 C THR A 37 1.171 -11.238 -6.002 1.00 0.51 C ATOM 586 O THR A 37 0.805 -11.188 -7.163 1.00 0.61 O ATOM 587 CB THR A 37 -0.727 -10.308 -4.658 1.00 0.51 C ATOM 588 OG1 THR A 37 -0.344 -9.628 -3.467 1.00 0.52 O ATOM 589 CG2 THR A 37 -2.189 -10.743 -4.550 1.00 0.55 C ATOM 0 H THR A 37 1.362 -11.129 -3.158 1.00 0.50 H new ATOM 0 HA THR A 37 -0.458 -12.392 -5.172 1.00 0.52 H new ATOM 0 HB THR A 37 -0.606 -9.631 -5.504 1.00 0.51 H new ATOM 0 HG1 THR A 37 0.617 -9.439 -3.493 1.00 0.52 H new ATOM 0 HG21 THR A 37 -2.818 -9.867 -4.391 1.00 0.55 H new ATOM 0 HG22 THR A 37 -2.489 -11.243 -5.471 1.00 0.55 H new ATOM 0 HG23 THR A 37 -2.303 -11.429 -3.711 1.00 0.55 H new ATOM 597 N GLN A 38 2.431 -11.029 -5.661 1.00 0.46 N ATOM 598 CA GLN A 38 3.484 -10.718 -6.690 1.00 0.50 C ATOM 599 C GLN A 38 3.230 -9.337 -7.317 1.00 0.49 C ATOM 600 O GLN A 38 2.111 -8.857 -7.330 1.00 0.48 O ATOM 601 CB GLN A 38 3.480 -11.785 -7.797 1.00 0.61 C ATOM 602 CG GLN A 38 4.276 -13.008 -7.340 1.00 0.84 C ATOM 603 CD GLN A 38 3.315 -14.079 -6.815 1.00 1.16 C ATOM 604 OE1 GLN A 38 3.018 -14.119 -5.636 1.00 1.82 O ATOM 605 NE2 GLN A 38 2.810 -14.952 -7.646 1.00 1.86 N ATOM 0 H GLN A 38 2.775 -11.062 -4.701 1.00 0.46 H new ATOM 0 HA GLN A 38 4.454 -10.715 -6.193 1.00 0.50 H new ATOM 0 HB2 GLN A 38 2.456 -12.074 -8.033 1.00 0.61 H new ATOM 0 HB3 GLN A 38 3.914 -11.377 -8.710 1.00 0.61 H new ATOM 0 HG2 GLN A 38 4.861 -13.405 -8.170 1.00 0.84 H new ATOM 0 HG3 GLN A 38 4.982 -12.724 -6.560 1.00 0.84 H new ATOM 0 HE21 GLN A 38 3.059 -14.918 -8.635 1.00 1.86 H new ATOM 0 HE22 GLN A 38 2.167 -15.667 -7.306 1.00 1.86 H new ATOM 614 N PRO A 39 4.287 -8.743 -7.834 1.00 0.55 N ATOM 615 CA PRO A 39 4.221 -7.420 -8.490 1.00 0.60 C ATOM 616 C PRO A 39 3.612 -7.569 -9.895 1.00 0.69 C ATOM 617 O PRO A 39 4.259 -7.332 -10.902 1.00 0.99 O ATOM 618 CB PRO A 39 5.688 -6.976 -8.552 1.00 0.68 C ATOM 619 CG PRO A 39 6.538 -8.265 -8.461 1.00 0.70 C ATOM 620 CD PRO A 39 5.641 -9.336 -7.810 1.00 0.62 C ATOM 0 HA PRO A 39 3.598 -6.696 -7.965 1.00 0.60 H new ATOM 0 HB2 PRO A 39 5.893 -6.440 -9.479 1.00 0.68 H new ATOM 0 HB3 PRO A 39 5.923 -6.297 -7.733 1.00 0.68 H new ATOM 0 HG2 PRO A 39 6.867 -8.583 -9.450 1.00 0.70 H new ATOM 0 HG3 PRO A 39 7.435 -8.097 -7.866 1.00 0.70 H new ATOM 0 HD2 PRO A 39 5.674 -10.274 -8.365 1.00 0.62 H new ATOM 0 HD3 PRO A 39 5.960 -9.557 -6.792 1.00 0.62 H new ATOM 628 N ASN A 40 2.365 -7.975 -9.956 1.00 0.61 N ATOM 629 CA ASN A 40 1.678 -8.163 -11.271 1.00 0.68 C ATOM 630 C ASN A 40 0.169 -8.310 -11.039 1.00 0.64 C ATOM 631 O ASN A 40 -0.633 -7.729 -11.748 1.00 0.74 O ATOM 632 CB ASN A 40 2.212 -9.429 -11.954 1.00 0.79 C ATOM 633 CG ASN A 40 2.282 -9.210 -13.468 1.00 1.13 C ATOM 634 OD1 ASN A 40 1.337 -9.492 -14.178 1.00 1.57 O ATOM 635 ND2 ASN A 40 3.371 -8.718 -13.999 1.00 1.52 N ATOM 0 H ASN A 40 1.789 -8.186 -9.141 1.00 0.61 H new ATOM 0 HA ASN A 40 1.870 -7.299 -11.907 1.00 0.68 H new ATOM 0 HB2 ASN A 40 3.201 -9.673 -11.566 1.00 0.79 H new ATOM 0 HB3 ASN A 40 1.564 -10.276 -11.729 1.00 0.79 H new ATOM 0 HD21 ASN A 40 3.426 -8.572 -15.007 1.00 1.52 H new ATOM 0 HD22 ASN A 40 4.166 -8.480 -13.405 1.00 1.52 H new ATOM 642 N LYS A 41 -0.218 -9.083 -10.048 1.00 0.55 N ATOM 643 CA LYS A 41 -1.673 -9.271 -9.757 1.00 0.53 C ATOM 644 C LYS A 41 -2.144 -8.248 -8.707 1.00 0.44 C ATOM 645 O LYS A 41 -3.273 -8.298 -8.254 1.00 0.46 O ATOM 646 CB LYS A 41 -1.901 -10.693 -9.232 1.00 0.58 C ATOM 647 CG LYS A 41 -2.865 -11.429 -10.165 1.00 1.01 C ATOM 648 CD LYS A 41 -2.843 -12.928 -9.848 1.00 1.43 C ATOM 649 CE LYS A 41 -3.727 -13.211 -8.626 1.00 2.00 C ATOM 650 NZ LYS A 41 -2.872 -13.522 -7.443 1.00 2.38 N ATOM 0 H LYS A 41 0.414 -9.591 -9.429 1.00 0.55 H new ATOM 0 HA LYS A 41 -2.245 -9.119 -10.673 1.00 0.53 H new ATOM 0 HB2 LYS A 41 -0.953 -11.228 -9.175 1.00 0.58 H new ATOM 0 HB3 LYS A 41 -2.309 -10.659 -8.222 1.00 0.58 H new ATOM 0 HG2 LYS A 41 -3.875 -11.036 -10.045 1.00 1.01 H new ATOM 0 HG3 LYS A 41 -2.580 -11.262 -11.204 1.00 1.01 H new ATOM 0 HD2 LYS A 41 -3.200 -13.496 -10.707 1.00 1.43 H new ATOM 0 HD3 LYS A 41 -1.821 -13.253 -9.653 1.00 1.43 H new ATOM 0 HE2 LYS A 41 -4.357 -12.347 -8.414 1.00 2.00 H new ATOM 0 HE3 LYS A 41 -4.394 -14.048 -8.834 1.00 2.00 H new ATOM 0 HZ1 LYS A 41 -3.476 -13.713 -6.618 1.00 2.38 H new ATOM 0 HZ2 LYS A 41 -2.289 -14.359 -7.646 1.00 2.38 H new ATOM 0 HZ3 LYS A 41 -2.254 -12.711 -7.239 1.00 2.38 H new ATOM 664 N ILE A 42 -1.292 -7.319 -8.321 1.00 0.41 N ATOM 665 CA ILE A 42 -1.699 -6.295 -7.308 1.00 0.35 C ATOM 666 C ILE A 42 -2.099 -4.997 -8.020 1.00 0.37 C ATOM 667 O ILE A 42 -1.359 -4.467 -8.832 1.00 0.51 O ATOM 668 CB ILE A 42 -0.535 -6.001 -6.351 1.00 0.36 C ATOM 669 CG1 ILE A 42 -0.072 -7.294 -5.676 1.00 0.38 C ATOM 670 CG2 ILE A 42 -1.002 -5.016 -5.276 1.00 0.39 C ATOM 671 CD1 ILE A 42 1.287 -7.063 -5.011 1.00 0.43 C ATOM 0 H ILE A 42 -0.336 -7.230 -8.665 1.00 0.41 H new ATOM 0 HA ILE A 42 -2.544 -6.684 -6.739 1.00 0.35 H new ATOM 0 HB ILE A 42 0.293 -5.573 -6.917 1.00 0.36 H new ATOM 0 HG12 ILE A 42 -0.804 -7.611 -4.933 1.00 0.38 H new ATOM 0 HG13 ILE A 42 0.002 -8.095 -6.412 1.00 0.38 H new ATOM 0 HG21 ILE A 42 -0.178 -4.804 -4.594 1.00 0.39 H new ATOM 0 HG22 ILE A 42 -1.329 -4.090 -5.749 1.00 0.39 H new ATOM 0 HG23 ILE A 42 -1.831 -5.452 -4.719 1.00 0.39 H new ATOM 0 HD11 ILE A 42 1.618 -7.983 -4.530 1.00 0.43 H new ATOM 0 HD12 ILE A 42 2.015 -6.766 -5.765 1.00 0.43 H new ATOM 0 HD13 ILE A 42 1.197 -6.275 -4.263 1.00 0.43 H new ATOM 683 N VAL A 43 -3.261 -4.476 -7.705 1.00 0.34 N ATOM 684 CA VAL A 43 -3.729 -3.204 -8.334 1.00 0.38 C ATOM 685 C VAL A 43 -3.978 -2.177 -7.225 1.00 0.34 C ATOM 686 O VAL A 43 -4.918 -2.294 -6.460 1.00 0.38 O ATOM 687 CB VAL A 43 -5.029 -3.452 -9.112 1.00 0.43 C ATOM 688 CG1 VAL A 43 -5.496 -2.145 -9.762 1.00 0.53 C ATOM 689 CG2 VAL A 43 -4.791 -4.504 -10.201 1.00 0.55 C ATOM 0 H VAL A 43 -3.910 -4.883 -7.032 1.00 0.34 H new ATOM 0 HA VAL A 43 -2.974 -2.832 -9.026 1.00 0.38 H new ATOM 0 HB VAL A 43 -5.794 -3.812 -8.424 1.00 0.43 H new ATOM 0 HG11 VAL A 43 -6.419 -2.323 -10.314 1.00 0.53 H new ATOM 0 HG12 VAL A 43 -5.674 -1.397 -8.989 1.00 0.53 H new ATOM 0 HG13 VAL A 43 -4.728 -1.784 -10.446 1.00 0.53 H new ATOM 0 HG21 VAL A 43 -5.717 -4.676 -10.750 1.00 0.55 H new ATOM 0 HG22 VAL A 43 -4.023 -4.149 -10.888 1.00 0.55 H new ATOM 0 HG23 VAL A 43 -4.464 -5.436 -9.741 1.00 0.55 H new ATOM 699 N LEU A 44 -3.135 -1.178 -7.123 1.00 0.33 N ATOM 700 CA LEU A 44 -3.312 -0.146 -6.055 1.00 0.32 C ATOM 701 C LEU A 44 -4.000 1.096 -6.635 1.00 0.34 C ATOM 702 O LEU A 44 -3.733 1.498 -7.753 1.00 0.37 O ATOM 703 CB LEU A 44 -1.943 0.242 -5.489 1.00 0.35 C ATOM 704 CG LEU A 44 -1.601 -0.670 -4.308 1.00 0.64 C ATOM 705 CD1 LEU A 44 -0.182 -1.219 -4.479 1.00 0.84 C ATOM 706 CD2 LEU A 44 -1.689 0.131 -3.006 1.00 1.08 C ATOM 0 H LEU A 44 -2.331 -1.033 -7.734 1.00 0.33 H new ATOM 0 HA LEU A 44 -3.933 -0.557 -5.259 1.00 0.32 H new ATOM 0 HB2 LEU A 44 -1.180 0.155 -6.262 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -1.953 1.283 -5.167 1.00 0.35 H new ATOM 0 HG LEU A 44 -2.306 -1.500 -4.272 1.00 0.64 H new ATOM 0 HD11 LEU A 44 0.061 -1.868 -3.638 1.00 0.84 H new ATOM 0 HD12 LEU A 44 -0.122 -1.789 -5.406 1.00 0.84 H new ATOM 0 HD13 LEU A 44 0.526 -0.391 -4.515 1.00 0.84 H new ATOM 0 HD21 LEU A 44 -1.446 -0.516 -2.163 1.00 1.08 H new ATOM 0 HD22 LEU A 44 -0.984 0.961 -3.041 1.00 1.08 H new ATOM 0 HD23 LEU A 44 -2.700 0.519 -2.885 1.00 1.08 H new ATOM 718 N GLN A 45 -4.885 1.703 -5.875 1.00 0.44 N ATOM 719 CA GLN A 45 -5.600 2.924 -6.365 1.00 0.48 C ATOM 720 C GLN A 45 -5.392 4.069 -5.367 1.00 0.50 C ATOM 721 O GLN A 45 -5.619 3.917 -4.179 1.00 0.67 O ATOM 722 CB GLN A 45 -7.105 2.645 -6.501 1.00 0.59 C ATOM 723 CG GLN A 45 -7.344 1.267 -7.133 1.00 0.61 C ATOM 724 CD GLN A 45 -7.782 1.440 -8.590 1.00 0.69 C ATOM 725 OE1 GLN A 45 -6.960 1.618 -9.466 1.00 0.99 O ATOM 726 NE2 GLN A 45 -9.055 1.396 -8.891 1.00 1.08 N ATOM 0 H GLN A 45 -5.142 1.403 -4.935 1.00 0.44 H new ATOM 0 HA GLN A 45 -5.198 3.198 -7.341 1.00 0.48 H new ATOM 0 HB2 GLN A 45 -7.578 2.688 -5.520 1.00 0.59 H new ATOM 0 HB3 GLN A 45 -7.570 3.418 -7.114 1.00 0.59 H new ATOM 0 HG2 GLN A 45 -6.433 0.671 -7.085 1.00 0.61 H new ATOM 0 HG3 GLN A 45 -8.108 0.727 -6.574 1.00 0.61 H new ATOM 0 HE21 GLN A 45 -9.748 1.247 -8.157 1.00 1.08 H new ATOM 0 HE22 GLN A 45 -9.354 1.511 -9.859 1.00 1.08 H new ATOM 735 N LYS A 46 -4.965 5.215 -5.844 1.00 0.48 N ATOM 736 CA LYS A 46 -4.742 6.379 -4.934 1.00 0.55 C ATOM 737 C LYS A 46 -5.627 7.553 -5.377 1.00 0.67 C ATOM 738 O LYS A 46 -5.273 8.318 -6.259 1.00 0.91 O ATOM 739 CB LYS A 46 -3.262 6.784 -4.975 1.00 0.63 C ATOM 740 CG LYS A 46 -2.770 7.079 -3.555 1.00 0.75 C ATOM 741 CD LYS A 46 -2.560 8.585 -3.384 1.00 0.79 C ATOM 742 CE LYS A 46 -2.774 8.969 -1.915 1.00 1.21 C ATOM 743 NZ LYS A 46 -4.203 9.344 -1.694 1.00 1.65 N ATOM 0 H LYS A 46 -4.761 5.392 -6.828 1.00 0.48 H new ATOM 0 HA LYS A 46 -5.006 6.103 -3.913 1.00 0.55 H new ATOM 0 HB2 LYS A 46 -2.668 5.984 -5.418 1.00 0.63 H new ATOM 0 HB3 LYS A 46 -3.133 7.664 -5.606 1.00 0.63 H new ATOM 0 HG2 LYS A 46 -3.496 6.718 -2.826 1.00 0.75 H new ATOM 0 HG3 LYS A 46 -1.837 6.548 -3.365 1.00 0.75 H new ATOM 0 HD2 LYS A 46 -1.554 8.861 -3.700 1.00 0.79 H new ATOM 0 HD3 LYS A 46 -3.255 9.134 -4.019 1.00 0.79 H new ATOM 0 HE2 LYS A 46 -2.503 8.135 -1.268 1.00 1.21 H new ATOM 0 HE3 LYS A 46 -2.124 9.803 -1.649 1.00 1.21 H new ATOM 0 HZ1 LYS A 46 -4.344 9.604 -0.697 1.00 1.65 H new ATOM 0 HZ2 LYS A 46 -4.447 10.153 -2.300 1.00 1.65 H new ATOM 0 HZ3 LYS A 46 -4.814 8.537 -1.931 1.00 1.65 H new ATOM 757 N GLY A 47 -6.780 7.691 -4.764 1.00 0.81 N ATOM 758 CA GLY A 47 -7.714 8.804 -5.124 1.00 1.00 C ATOM 759 C GLY A 47 -8.261 8.601 -6.542 1.00 0.85 C ATOM 760 O GLY A 47 -8.231 9.506 -7.357 1.00 0.95 O ATOM 0 H GLY A 47 -7.115 7.074 -4.024 1.00 0.81 H new ATOM 0 HA2 GLY A 47 -8.538 8.842 -4.411 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -7.194 9.760 -5.061 1.00 1.00 H new ATOM 764 N GLY A 48 -8.763 7.422 -6.841 1.00 0.75 N ATOM 765 CA GLY A 48 -9.319 7.151 -8.205 1.00 0.71 C ATOM 766 C GLY A 48 -8.193 7.195 -9.244 1.00 0.60 C ATOM 767 O GLY A 48 -8.313 7.837 -10.272 1.00 0.72 O ATOM 0 H GLY A 48 -8.810 6.635 -6.194 1.00 0.75 H new ATOM 0 HA2 GLY A 48 -9.804 6.175 -8.222 1.00 0.71 H new ATOM 0 HA3 GLY A 48 -10.081 7.890 -8.450 1.00 0.71 H new ATOM 771 N SER A 49 -7.101 6.517 -8.979 1.00 0.49 N ATOM 772 CA SER A 49 -5.955 6.504 -9.939 1.00 0.49 C ATOM 773 C SER A 49 -5.172 5.200 -9.769 1.00 0.46 C ATOM 774 O SER A 49 -4.850 4.804 -8.664 1.00 0.49 O ATOM 775 CB SER A 49 -5.034 7.696 -9.654 1.00 0.58 C ATOM 776 OG SER A 49 -5.249 8.707 -10.632 1.00 1.13 O ATOM 0 H SER A 49 -6.955 5.968 -8.132 1.00 0.49 H new ATOM 0 HA SER A 49 -6.331 6.576 -10.960 1.00 0.49 H new ATOM 0 HB2 SER A 49 -5.231 8.091 -8.658 1.00 0.58 H new ATOM 0 HB3 SER A 49 -3.992 7.376 -9.669 1.00 0.58 H new ATOM 0 HG SER A 49 -6.206 8.769 -10.834 1.00 1.13 H new ATOM 782 N VAL A 50 -4.863 4.529 -10.854 1.00 0.49 N ATOM 783 CA VAL A 50 -4.102 3.246 -10.751 1.00 0.53 C ATOM 784 C VAL A 50 -2.613 3.547 -10.533 1.00 0.47 C ATOM 785 O VAL A 50 -2.052 4.442 -11.142 1.00 0.52 O ATOM 786 CB VAL A 50 -4.299 2.419 -12.034 1.00 0.68 C ATOM 787 CG1 VAL A 50 -3.678 3.139 -13.237 1.00 0.77 C ATOM 788 CG2 VAL A 50 -3.638 1.045 -11.868 1.00 0.84 C ATOM 0 H VAL A 50 -5.105 4.815 -11.803 1.00 0.49 H new ATOM 0 HA VAL A 50 -4.473 2.670 -9.903 1.00 0.53 H new ATOM 0 HB VAL A 50 -5.368 2.296 -12.208 1.00 0.68 H new ATOM 0 HG11 VAL A 50 -3.826 2.540 -14.136 1.00 0.77 H new ATOM 0 HG12 VAL A 50 -4.155 4.111 -13.365 1.00 0.77 H new ATOM 0 HG13 VAL A 50 -2.611 3.279 -13.066 1.00 0.77 H new ATOM 0 HG21 VAL A 50 -3.779 0.461 -12.778 1.00 0.84 H new ATOM 0 HG22 VAL A 50 -2.572 1.174 -11.681 1.00 0.84 H new ATOM 0 HG23 VAL A 50 -4.093 0.522 -11.027 1.00 0.84 H new ATOM 798 N LEU A 51 -1.978 2.802 -9.659 1.00 0.44 N ATOM 799 CA LEU A 51 -0.528 3.027 -9.378 1.00 0.41 C ATOM 800 C LEU A 51 0.301 2.009 -10.165 1.00 0.40 C ATOM 801 O LEU A 51 0.154 0.811 -9.996 1.00 0.48 O ATOM 802 CB LEU A 51 -0.260 2.868 -7.873 1.00 0.46 C ATOM 803 CG LEU A 51 -1.304 3.652 -7.064 1.00 0.50 C ATOM 804 CD1 LEU A 51 -0.954 3.588 -5.575 1.00 0.60 C ATOM 805 CD2 LEU A 51 -1.319 5.116 -7.515 1.00 0.48 C ATOM 0 H LEU A 51 -2.406 2.044 -9.127 1.00 0.44 H new ATOM 0 HA LEU A 51 -0.249 4.036 -9.682 1.00 0.41 H new ATOM 0 HB2 LEU A 51 -0.294 1.813 -7.599 1.00 0.46 H new ATOM 0 HB3 LEU A 51 0.741 3.227 -7.634 1.00 0.46 H new ATOM 0 HG LEU A 51 -2.287 3.211 -7.230 1.00 0.50 H new ATOM 0 HD11 LEU A 51 -1.696 4.145 -5.003 1.00 0.60 H new ATOM 0 HD12 LEU A 51 -0.948 2.549 -5.247 1.00 0.60 H new ATOM 0 HD13 LEU A 51 0.031 4.025 -5.414 1.00 0.60 H new ATOM 0 HD21 LEU A 51 -2.061 5.667 -6.938 1.00 0.48 H new ATOM 0 HD22 LEU A 51 -0.335 5.556 -7.355 1.00 0.48 H new ATOM 0 HD23 LEU A 51 -1.571 5.168 -8.574 1.00 0.48 H new ATOM 817 N LYS A 52 1.164 2.483 -11.033 1.00 0.41 N ATOM 818 CA LYS A 52 2.008 1.558 -11.849 1.00 0.44 C ATOM 819 C LYS A 52 3.437 1.535 -11.301 1.00 0.39 C ATOM 820 O LYS A 52 3.935 2.524 -10.791 1.00 0.37 O ATOM 821 CB LYS A 52 2.029 2.037 -13.303 1.00 0.55 C ATOM 822 CG LYS A 52 0.879 1.379 -14.073 1.00 0.81 C ATOM 823 CD LYS A 52 1.318 -0.001 -14.578 1.00 1.23 C ATOM 824 CE LYS A 52 0.530 -1.090 -13.845 1.00 1.62 C ATOM 825 NZ LYS A 52 1.098 -2.427 -14.178 1.00 2.31 N ATOM 0 H LYS A 52 1.319 3.475 -11.210 1.00 0.41 H new ATOM 0 HA LYS A 52 1.589 0.553 -11.799 1.00 0.44 H new ATOM 0 HB2 LYS A 52 1.933 3.122 -13.341 1.00 0.55 H new ATOM 0 HB3 LYS A 52 2.983 1.785 -13.767 1.00 0.55 H new ATOM 0 HG2 LYS A 52 0.006 1.280 -13.428 1.00 0.81 H new ATOM 0 HG3 LYS A 52 0.584 2.008 -14.913 1.00 0.81 H new ATOM 0 HD2 LYS A 52 1.150 -0.077 -15.652 1.00 1.23 H new ATOM 0 HD3 LYS A 52 2.387 -0.137 -14.412 1.00 1.23 H new ATOM 0 HE2 LYS A 52 0.574 -0.923 -12.769 1.00 1.62 H new ATOM 0 HE3 LYS A 52 -0.521 -1.048 -14.132 1.00 1.62 H new ATOM 0 HZ1 LYS A 52 0.562 -3.166 -13.680 1.00 2.31 H new ATOM 0 HZ2 LYS A 52 1.034 -2.586 -15.204 1.00 2.31 H new ATOM 0 HZ3 LYS A 52 2.095 -2.464 -13.883 1.00 2.31 H new ATOM 839 N ASP A 53 4.097 0.405 -11.410 1.00 0.42 N ATOM 840 CA ASP A 53 5.502 0.280 -10.906 1.00 0.45 C ATOM 841 C ASP A 53 6.422 1.286 -11.619 1.00 0.47 C ATOM 842 O ASP A 53 7.424 1.709 -11.071 1.00 0.53 O ATOM 843 CB ASP A 53 6.011 -1.146 -11.159 1.00 0.53 C ATOM 844 CG ASP A 53 5.982 -1.458 -12.663 1.00 0.58 C ATOM 845 OD1 ASP A 53 4.938 -1.875 -13.144 1.00 0.70 O ATOM 846 OD2 ASP A 53 7.002 -1.276 -13.308 1.00 0.69 O ATOM 0 H ASP A 53 3.718 -0.443 -11.831 1.00 0.42 H new ATOM 0 HA ASP A 53 5.511 0.492 -9.837 1.00 0.45 H new ATOM 0 HB2 ASP A 53 7.027 -1.251 -10.777 1.00 0.53 H new ATOM 0 HB3 ASP A 53 5.392 -1.863 -10.619 1.00 0.53 H new ATOM 851 N HIS A 54 6.090 1.665 -12.835 1.00 0.49 N ATOM 852 CA HIS A 54 6.939 2.638 -13.595 1.00 0.58 C ATOM 853 C HIS A 54 6.905 4.025 -12.928 1.00 0.55 C ATOM 854 O HIS A 54 7.757 4.857 -13.184 1.00 0.67 O ATOM 855 CB HIS A 54 6.417 2.753 -15.031 1.00 0.66 C ATOM 856 CG HIS A 54 6.661 1.461 -15.760 1.00 0.78 C ATOM 857 ND1 HIS A 54 5.676 0.497 -15.904 1.00 1.07 N ATOM 858 CD2 HIS A 54 7.773 0.958 -16.389 1.00 1.01 C ATOM 859 CE1 HIS A 54 6.209 -0.527 -16.596 1.00 1.16 C ATOM 860 NE2 HIS A 54 7.486 -0.297 -16.916 1.00 1.10 N ATOM 0 H HIS A 54 5.262 1.339 -13.334 1.00 0.49 H new ATOM 0 HA HIS A 54 7.967 2.277 -13.599 1.00 0.58 H new ATOM 0 HB2 HIS A 54 5.352 2.983 -15.024 1.00 0.66 H new ATOM 0 HB3 HIS A 54 6.917 3.573 -15.546 1.00 0.66 H new ATOM 0 HD2 HIS A 54 8.726 1.461 -16.463 1.00 1.01 H new ATOM 0 HE1 HIS A 54 5.670 -1.425 -16.860 1.00 1.16 H new ATOM 0 HE2 HIS A 54 8.115 -0.910 -17.435 1.00 1.10 H new ATOM 868 N ILE A 55 5.933 4.280 -12.078 1.00 0.44 N ATOM 869 CA ILE A 55 5.850 5.610 -11.398 1.00 0.44 C ATOM 870 C ILE A 55 6.260 5.456 -9.928 1.00 0.42 C ATOM 871 O ILE A 55 6.056 4.418 -9.321 1.00 0.47 O ATOM 872 CB ILE A 55 4.415 6.148 -11.492 1.00 0.45 C ATOM 873 CG1 ILE A 55 4.040 6.349 -12.967 1.00 0.53 C ATOM 874 CG2 ILE A 55 4.319 7.492 -10.764 1.00 0.48 C ATOM 875 CD1 ILE A 55 3.311 5.108 -13.491 1.00 0.58 C ATOM 0 H ILE A 55 5.195 3.622 -11.828 1.00 0.44 H new ATOM 0 HA ILE A 55 6.524 6.314 -11.886 1.00 0.44 H new ATOM 0 HB ILE A 55 3.733 5.433 -11.031 1.00 0.45 H new ATOM 0 HG12 ILE A 55 3.404 7.228 -13.073 1.00 0.53 H new ATOM 0 HG13 ILE A 55 4.937 6.532 -13.558 1.00 0.53 H new ATOM 0 HG21 ILE A 55 3.299 7.871 -10.833 1.00 0.48 H new ATOM 0 HG22 ILE A 55 4.586 7.358 -9.716 1.00 0.48 H new ATOM 0 HG23 ILE A 55 5.003 8.205 -11.225 1.00 0.48 H new ATOM 0 HD11 ILE A 55 3.047 5.256 -14.538 1.00 0.58 H new ATOM 0 HD12 ILE A 55 3.962 4.238 -13.400 1.00 0.58 H new ATOM 0 HD13 ILE A 55 2.405 4.945 -12.908 1.00 0.58 H new ATOM 887 N SER A 56 6.846 6.483 -9.358 1.00 0.43 N ATOM 888 CA SER A 56 7.289 6.411 -7.931 1.00 0.44 C ATOM 889 C SER A 56 6.142 6.806 -6.992 1.00 0.40 C ATOM 890 O SER A 56 5.235 7.528 -7.368 1.00 0.43 O ATOM 891 CB SER A 56 8.479 7.355 -7.717 1.00 0.49 C ATOM 892 OG SER A 56 8.083 8.696 -7.986 1.00 0.53 O ATOM 0 H SER A 56 7.037 7.371 -9.823 1.00 0.43 H new ATOM 0 HA SER A 56 7.587 5.387 -7.706 1.00 0.44 H new ATOM 0 HB2 SER A 56 8.842 7.271 -6.693 1.00 0.49 H new ATOM 0 HB3 SER A 56 9.303 7.071 -8.371 1.00 0.49 H new ATOM 0 HG SER A 56 8.845 9.296 -7.847 1.00 0.53 H new ATOM 898 N LEU A 57 6.193 6.341 -5.762 1.00 0.38 N ATOM 899 CA LEU A 57 5.126 6.686 -4.768 1.00 0.37 C ATOM 900 C LEU A 57 5.088 8.207 -4.572 1.00 0.37 C ATOM 901 O LEU A 57 4.036 8.787 -4.373 1.00 0.40 O ATOM 902 CB LEU A 57 5.431 6.003 -3.429 1.00 0.40 C ATOM 903 CG LEU A 57 5.268 4.485 -3.568 1.00 0.40 C ATOM 904 CD1 LEU A 57 5.995 3.786 -2.417 1.00 0.48 C ATOM 905 CD2 LEU A 57 3.780 4.120 -3.527 1.00 0.59 C ATOM 0 H LEU A 57 6.932 5.735 -5.405 1.00 0.38 H new ATOM 0 HA LEU A 57 4.160 6.341 -5.136 1.00 0.37 H new ATOM 0 HB2 LEU A 57 6.447 6.241 -3.113 1.00 0.40 H new ATOM 0 HB3 LEU A 57 4.760 6.380 -2.657 1.00 0.40 H new ATOM 0 HG LEU A 57 5.694 4.162 -4.518 1.00 0.40 H new ATOM 0 HD11 LEU A 57 5.879 2.707 -2.516 1.00 0.48 H new ATOM 0 HD12 LEU A 57 7.054 4.042 -2.447 1.00 0.48 H new ATOM 0 HD13 LEU A 57 5.570 4.111 -1.467 1.00 0.48 H new ATOM 0 HD21 LEU A 57 3.667 3.040 -3.626 1.00 0.59 H new ATOM 0 HD22 LEU A 57 3.352 4.444 -2.578 1.00 0.59 H new ATOM 0 HD23 LEU A 57 3.261 4.616 -4.347 1.00 0.59 H new ATOM 917 N GLU A 58 6.235 8.854 -4.640 1.00 0.37 N ATOM 918 CA GLU A 58 6.292 10.341 -4.475 1.00 0.40 C ATOM 919 C GLU A 58 5.491 11.016 -5.596 1.00 0.41 C ATOM 920 O GLU A 58 4.839 12.022 -5.378 1.00 0.43 O ATOM 921 CB GLU A 58 7.753 10.803 -4.543 1.00 0.46 C ATOM 922 CG GLU A 58 8.171 11.390 -3.192 1.00 0.71 C ATOM 923 CD GLU A 58 8.020 12.916 -3.223 1.00 1.11 C ATOM 924 OE1 GLU A 58 6.943 13.392 -2.899 1.00 1.61 O ATOM 925 OE2 GLU A 58 8.984 13.581 -3.569 1.00 1.62 O ATOM 0 H GLU A 58 7.138 8.408 -4.804 1.00 0.37 H new ATOM 0 HA GLU A 58 5.865 10.616 -3.511 1.00 0.40 H new ATOM 0 HB2 GLU A 58 8.399 9.963 -4.801 1.00 0.46 H new ATOM 0 HB3 GLU A 58 7.872 11.550 -5.328 1.00 0.46 H new ATOM 0 HG2 GLU A 58 7.556 10.970 -2.396 1.00 0.71 H new ATOM 0 HG3 GLU A 58 9.204 11.121 -2.972 1.00 0.71 H new ATOM 932 N ASP A 59 5.530 10.462 -6.790 1.00 0.44 N ATOM 933 CA ASP A 59 4.766 11.056 -7.932 1.00 0.47 C ATOM 934 C ASP A 59 3.264 10.989 -7.630 1.00 0.44 C ATOM 935 O ASP A 59 2.542 11.948 -7.832 1.00 0.47 O ATOM 936 CB ASP A 59 5.063 10.269 -9.215 1.00 0.56 C ATOM 937 CG ASP A 59 6.070 11.041 -10.074 1.00 0.79 C ATOM 938 OD1 ASP A 59 5.636 11.840 -10.889 1.00 1.08 O ATOM 939 OD2 ASP A 59 7.258 10.819 -9.904 1.00 1.15 O ATOM 0 H ASP A 59 6.061 9.622 -7.019 1.00 0.44 H new ATOM 0 HA ASP A 59 5.066 12.095 -8.067 1.00 0.47 H new ATOM 0 HB2 ASP A 59 5.462 9.286 -8.966 1.00 0.56 H new ATOM 0 HB3 ASP A 59 4.142 10.107 -9.775 1.00 0.56 H new ATOM 944 N TYR A 60 2.797 9.863 -7.137 1.00 0.44 N ATOM 945 CA TYR A 60 1.345 9.720 -6.802 1.00 0.45 C ATOM 946 C TYR A 60 1.017 10.523 -5.530 1.00 0.41 C ATOM 947 O TYR A 60 -0.137 10.792 -5.246 1.00 0.46 O ATOM 948 CB TYR A 60 1.021 8.241 -6.567 1.00 0.50 C ATOM 949 CG TYR A 60 0.932 7.518 -7.892 1.00 0.42 C ATOM 950 CD1 TYR A 60 -0.047 7.885 -8.826 1.00 0.46 C ATOM 951 CD2 TYR A 60 1.824 6.479 -8.186 1.00 0.44 C ATOM 952 CE1 TYR A 60 -0.132 7.215 -10.051 1.00 0.47 C ATOM 953 CE2 TYR A 60 1.738 5.808 -9.412 1.00 0.46 C ATOM 954 CZ TYR A 60 0.760 6.176 -10.344 1.00 0.45 C ATOM 955 OH TYR A 60 0.674 5.513 -11.553 1.00 0.54 O ATOM 0 H TYR A 60 3.363 9.035 -6.952 1.00 0.44 H new ATOM 0 HA TYR A 60 0.747 10.101 -7.630 1.00 0.45 H new ATOM 0 HB2 TYR A 60 1.791 7.785 -5.945 1.00 0.50 H new ATOM 0 HB3 TYR A 60 0.079 8.147 -6.027 1.00 0.50 H new ATOM 0 HD1 TYR A 60 -0.736 8.685 -8.600 1.00 0.46 H new ATOM 0 HD2 TYR A 60 2.578 6.195 -7.467 1.00 0.44 H new ATOM 0 HE1 TYR A 60 -0.885 7.499 -10.771 1.00 0.47 H new ATOM 0 HE2 TYR A 60 2.426 5.007 -9.639 1.00 0.46 H new ATOM 0 HH TYR A 60 -0.196 5.068 -11.621 1.00 0.54 H new ATOM 965 N GLU A 61 2.026 10.896 -4.763 1.00 0.36 N ATOM 966 CA GLU A 61 1.806 11.677 -3.504 1.00 0.38 C ATOM 967 C GLU A 61 1.208 10.755 -2.431 1.00 0.35 C ATOM 968 O GLU A 61 0.027 10.809 -2.129 1.00 0.48 O ATOM 969 CB GLU A 61 0.873 12.869 -3.771 1.00 0.47 C ATOM 970 CG GLU A 61 1.243 14.034 -2.844 1.00 0.58 C ATOM 971 CD GLU A 61 0.726 13.758 -1.426 1.00 0.87 C ATOM 972 OE1 GLU A 61 -0.428 14.061 -1.167 1.00 1.07 O ATOM 973 OE2 GLU A 61 1.495 13.251 -0.624 1.00 1.16 O ATOM 0 H GLU A 61 3.004 10.686 -4.965 1.00 0.36 H new ATOM 0 HA GLU A 61 2.760 12.066 -3.149 1.00 0.38 H new ATOM 0 HB2 GLU A 61 0.954 13.180 -4.812 1.00 0.47 H new ATOM 0 HB3 GLU A 61 -0.164 12.576 -3.606 1.00 0.47 H new ATOM 0 HG2 GLU A 61 2.325 14.167 -2.827 1.00 0.58 H new ATOM 0 HG3 GLU A 61 0.814 14.962 -3.223 1.00 0.58 H new ATOM 980 N VAL A 62 2.028 9.911 -1.849 1.00 0.31 N ATOM 981 CA VAL A 62 1.541 8.981 -0.787 1.00 0.31 C ATOM 982 C VAL A 62 1.998 9.509 0.579 1.00 0.34 C ATOM 983 O VAL A 62 3.182 9.659 0.831 1.00 0.42 O ATOM 984 CB VAL A 62 2.114 7.577 -1.030 1.00 0.34 C ATOM 985 CG1 VAL A 62 1.726 6.648 0.123 1.00 0.40 C ATOM 986 CG2 VAL A 62 1.550 7.018 -2.339 1.00 0.44 C ATOM 0 H VAL A 62 3.021 9.828 -2.068 1.00 0.31 H new ATOM 0 HA VAL A 62 0.453 8.923 -0.810 1.00 0.31 H new ATOM 0 HB VAL A 62 3.200 7.640 -1.092 1.00 0.34 H new ATOM 0 HG11 VAL A 62 2.136 5.654 -0.057 1.00 0.40 H new ATOM 0 HG12 VAL A 62 2.125 7.042 1.058 1.00 0.40 H new ATOM 0 HG13 VAL A 62 0.640 6.586 0.190 1.00 0.40 H new ATOM 0 HG21 VAL A 62 1.955 6.021 -2.514 1.00 0.44 H new ATOM 0 HG22 VAL A 62 0.464 6.961 -2.272 1.00 0.44 H new ATOM 0 HG23 VAL A 62 1.829 7.673 -3.164 1.00 0.44 H new ATOM 996 N HIS A 63 1.064 9.803 1.453 1.00 0.40 N ATOM 997 CA HIS A 63 1.425 10.339 2.803 1.00 0.51 C ATOM 998 C HIS A 63 1.459 9.204 3.836 1.00 0.40 C ATOM 999 O HIS A 63 0.992 8.104 3.588 1.00 0.40 O ATOM 1000 CB HIS A 63 0.384 11.382 3.230 1.00 0.67 C ATOM 1001 CG HIS A 63 1.058 12.710 3.443 1.00 1.13 C ATOM 1002 ND1 HIS A 63 1.440 13.523 2.389 1.00 1.71 N ATOM 1003 CD2 HIS A 63 1.426 13.377 4.584 1.00 1.59 C ATOM 1004 CE1 HIS A 63 2.010 14.623 2.912 1.00 2.12 C ATOM 1005 NE2 HIS A 63 2.027 14.586 4.247 1.00 2.05 N ATOM 0 H HIS A 63 0.063 9.694 1.288 1.00 0.40 H new ATOM 0 HA HIS A 63 2.412 10.798 2.749 1.00 0.51 H new ATOM 0 HB2 HIS A 63 -0.389 11.473 2.466 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.111 11.063 4.147 1.00 0.67 H new ATOM 0 HD1 HIS A 63 1.312 13.324 1.397 1.00 1.71 H new ATOM 0 HD2 HIS A 63 1.273 13.018 5.591 1.00 1.59 H new ATOM 0 HE1 HIS A 63 2.406 15.438 2.324 1.00 2.12 H new ATOM 1013 N ASP A 64 2.006 9.472 4.999 1.00 0.41 N ATOM 1014 CA ASP A 64 2.076 8.427 6.067 1.00 0.38 C ATOM 1015 C ASP A 64 0.675 8.200 6.650 1.00 0.29 C ATOM 1016 O ASP A 64 -0.100 9.129 6.806 1.00 0.32 O ATOM 1017 CB ASP A 64 3.040 8.875 7.179 1.00 0.48 C ATOM 1018 CG ASP A 64 2.527 10.163 7.839 1.00 0.58 C ATOM 1019 OD1 ASP A 64 2.747 11.225 7.276 1.00 0.78 O ATOM 1020 OD2 ASP A 64 1.927 10.065 8.897 1.00 0.67 O ATOM 0 H ASP A 64 2.408 10.374 5.254 1.00 0.41 H new ATOM 0 HA ASP A 64 2.445 7.496 5.637 1.00 0.38 H new ATOM 0 HB2 ASP A 64 3.135 8.088 7.927 1.00 0.48 H new ATOM 0 HB3 ASP A 64 4.034 9.042 6.763 1.00 0.48 H new ATOM 1025 N GLN A 65 0.348 6.967 6.966 1.00 0.31 N ATOM 1026 CA GLN A 65 -1.002 6.645 7.535 1.00 0.31 C ATOM 1027 C GLN A 65 -2.101 7.008 6.519 1.00 0.31 C ATOM 1028 O GLN A 65 -3.207 7.367 6.889 1.00 0.44 O ATOM 1029 CB GLN A 65 -1.206 7.426 8.842 1.00 0.36 C ATOM 1030 CG GLN A 65 -1.400 6.446 10.005 1.00 0.40 C ATOM 1031 CD GLN A 65 -0.141 5.588 10.174 1.00 0.42 C ATOM 1032 OE1 GLN A 65 -0.185 4.386 10.005 1.00 0.54 O ATOM 1033 NE2 GLN A 65 0.989 6.159 10.499 1.00 0.56 N ATOM 0 H GLN A 65 0.965 6.163 6.853 1.00 0.31 H new ATOM 0 HA GLN A 65 -1.062 5.577 7.745 1.00 0.31 H new ATOM 0 HB2 GLN A 65 -0.344 8.066 9.033 1.00 0.36 H new ATOM 0 HB3 GLN A 65 -2.075 8.079 8.755 1.00 0.36 H new ATOM 0 HG2 GLN A 65 -1.604 6.994 10.925 1.00 0.40 H new ATOM 0 HG3 GLN A 65 -2.263 5.808 9.816 1.00 0.40 H new ATOM 0 HE21 GLN A 65 1.028 7.168 10.641 1.00 0.56 H new ATOM 0 HE22 GLN A 65 1.832 5.595 10.610 1.00 0.56 H new ATOM 1042 N THR A 66 -1.805 6.910 5.242 1.00 0.26 N ATOM 1043 CA THR A 66 -2.825 7.240 4.197 1.00 0.29 C ATOM 1044 C THR A 66 -3.626 5.978 3.841 1.00 0.26 C ATOM 1045 O THR A 66 -3.158 4.865 4.011 1.00 0.30 O ATOM 1046 CB THR A 66 -2.119 7.790 2.944 1.00 0.36 C ATOM 1047 OG1 THR A 66 -3.078 8.388 2.084 1.00 0.48 O ATOM 1048 CG2 THR A 66 -1.402 6.660 2.201 1.00 0.37 C ATOM 0 H THR A 66 -0.898 6.615 4.880 1.00 0.26 H new ATOM 0 HA THR A 66 -3.509 7.997 4.581 1.00 0.29 H new ATOM 0 HB THR A 66 -1.384 8.535 3.250 1.00 0.36 H new ATOM 0 HG1 THR A 66 -2.629 8.740 1.287 1.00 0.48 H new ATOM 0 HG21 THR A 66 -0.907 7.062 1.317 1.00 0.37 H new ATOM 0 HG22 THR A 66 -0.660 6.206 2.858 1.00 0.37 H new ATOM 0 HG23 THR A 66 -2.128 5.905 1.898 1.00 0.37 H new ATOM 1056 N ASN A 67 -4.833 6.147 3.351 1.00 0.31 N ATOM 1057 CA ASN A 67 -5.673 4.967 2.984 1.00 0.33 C ATOM 1058 C ASN A 67 -5.581 4.717 1.474 1.00 0.32 C ATOM 1059 O ASN A 67 -5.879 5.585 0.670 1.00 0.49 O ATOM 1060 CB ASN A 67 -7.131 5.229 3.375 1.00 0.46 C ATOM 1061 CG ASN A 67 -7.828 3.898 3.674 1.00 0.86 C ATOM 1062 OD1 ASN A 67 -8.409 3.293 2.796 1.00 1.28 O ATOM 1063 ND2 ASN A 67 -7.793 3.414 4.887 1.00 1.18 N ATOM 0 H ASN A 67 -5.271 7.054 3.190 1.00 0.31 H new ATOM 0 HA ASN A 67 -5.310 4.088 3.517 1.00 0.33 H new ATOM 0 HB2 ASN A 67 -7.173 5.878 4.250 1.00 0.46 H new ATOM 0 HB3 ASN A 67 -7.647 5.749 2.568 1.00 0.46 H new ATOM 0 HD21 ASN A 67 -8.254 2.528 5.096 1.00 1.18 H new ATOM 0 HD22 ASN A 67 -7.305 3.922 5.625 1.00 1.18 H new ATOM 1070 N LEU A 68 -5.171 3.533 1.089 1.00 0.27 N ATOM 1071 CA LEU A 68 -5.052 3.198 -0.365 1.00 0.31 C ATOM 1072 C LEU A 68 -6.074 2.115 -0.732 1.00 0.32 C ATOM 1073 O LEU A 68 -6.590 1.417 0.125 1.00 0.35 O ATOM 1074 CB LEU A 68 -3.638 2.681 -0.654 1.00 0.36 C ATOM 1075 CG LEU A 68 -2.702 3.860 -0.934 1.00 0.66 C ATOM 1076 CD1 LEU A 68 -1.394 3.670 -0.160 1.00 0.87 C ATOM 1077 CD2 LEU A 68 -2.399 3.926 -2.434 1.00 1.04 C ATOM 0 H LEU A 68 -4.912 2.779 1.725 1.00 0.27 H new ATOM 0 HA LEU A 68 -5.245 4.092 -0.958 1.00 0.31 H new ATOM 0 HB2 LEU A 68 -3.270 2.107 0.196 1.00 0.36 H new ATOM 0 HB3 LEU A 68 -3.655 2.007 -1.511 1.00 0.36 H new ATOM 0 HG LEU A 68 -3.181 4.786 -0.617 1.00 0.66 H new ATOM 0 HD11 LEU A 68 -0.728 4.509 -0.360 1.00 0.87 H new ATOM 0 HD12 LEU A 68 -1.607 3.622 0.908 1.00 0.87 H new ATOM 0 HD13 LEU A 68 -0.915 2.744 -0.477 1.00 0.87 H new ATOM 0 HD21 LEU A 68 -1.733 4.765 -2.634 1.00 1.04 H new ATOM 0 HD22 LEU A 68 -1.920 2.999 -2.750 1.00 1.04 H new ATOM 0 HD23 LEU A 68 -3.328 4.061 -2.987 1.00 1.04 H new ATOM 1089 N GLU A 69 -6.364 1.968 -2.003 1.00 0.37 N ATOM 1090 CA GLU A 69 -7.346 0.931 -2.445 1.00 0.40 C ATOM 1091 C GLU A 69 -6.589 -0.270 -3.025 1.00 0.38 C ATOM 1092 O GLU A 69 -5.627 -0.112 -3.756 1.00 0.46 O ATOM 1093 CB GLU A 69 -8.268 1.523 -3.515 1.00 0.47 C ATOM 1094 CG GLU A 69 -9.716 1.097 -3.247 1.00 0.56 C ATOM 1095 CD GLU A 69 -10.056 -0.139 -4.087 1.00 0.54 C ATOM 1096 OE1 GLU A 69 -10.316 0.023 -5.268 1.00 0.86 O ATOM 1097 OE2 GLU A 69 -10.055 -1.227 -3.534 1.00 0.53 O ATOM 0 H GLU A 69 -5.960 2.525 -2.756 1.00 0.37 H new ATOM 0 HA GLU A 69 -7.944 0.607 -1.593 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -8.193 2.610 -3.512 1.00 0.47 H new ATOM 0 HB3 GLU A 69 -7.957 1.185 -4.503 1.00 0.47 H new ATOM 0 HG2 GLU A 69 -9.850 0.877 -2.188 1.00 0.56 H new ATOM 0 HG3 GLU A 69 -10.396 1.913 -3.491 1.00 0.56 H new ATOM 1104 N LEU A 70 -7.018 -1.467 -2.702 1.00 0.35 N ATOM 1105 CA LEU A 70 -6.330 -2.687 -3.226 1.00 0.34 C ATOM 1106 C LEU A 70 -7.264 -3.446 -4.177 1.00 0.32 C ATOM 1107 O LEU A 70 -8.463 -3.506 -3.976 1.00 0.37 O ATOM 1108 CB LEU A 70 -5.937 -3.593 -2.051 1.00 0.38 C ATOM 1109 CG LEU A 70 -5.028 -4.726 -2.544 1.00 0.41 C ATOM 1110 CD1 LEU A 70 -3.740 -4.140 -3.134 1.00 0.48 C ATOM 1111 CD2 LEU A 70 -4.678 -5.643 -1.369 1.00 0.50 C ATOM 0 H LEU A 70 -7.818 -1.651 -2.096 1.00 0.35 H new ATOM 0 HA LEU A 70 -5.435 -2.390 -3.772 1.00 0.34 H new ATOM 0 HB2 LEU A 70 -5.423 -3.010 -1.287 1.00 0.38 H new ATOM 0 HB3 LEU A 70 -6.831 -4.009 -1.587 1.00 0.38 H new ATOM 0 HG LEU A 70 -5.548 -5.296 -3.313 1.00 0.41 H new ATOM 0 HD11 LEU A 70 -3.098 -4.949 -3.482 1.00 0.48 H new ATOM 0 HD12 LEU A 70 -3.987 -3.487 -3.971 1.00 0.48 H new ATOM 0 HD13 LEU A 70 -3.217 -3.566 -2.369 1.00 0.48 H new ATOM 0 HD21 LEU A 70 -4.032 -6.449 -1.717 1.00 0.50 H new ATOM 0 HD22 LEU A 70 -4.160 -5.069 -0.601 1.00 0.50 H new ATOM 0 HD23 LEU A 70 -5.592 -6.065 -0.952 1.00 0.50 H new ATOM 1123 N TYR A 71 -6.710 -4.029 -5.211 1.00 0.29 N ATOM 1124 CA TYR A 71 -7.536 -4.796 -6.191 1.00 0.32 C ATOM 1125 C TYR A 71 -6.713 -5.973 -6.728 1.00 0.33 C ATOM 1126 O TYR A 71 -5.500 -5.897 -6.826 1.00 0.39 O ATOM 1127 CB TYR A 71 -7.937 -3.879 -7.354 1.00 0.40 C ATOM 1128 CG TYR A 71 -9.434 -3.684 -7.362 1.00 0.45 C ATOM 1129 CD1 TYR A 71 -10.286 -4.789 -7.488 1.00 0.70 C ATOM 1130 CD2 TYR A 71 -9.972 -2.396 -7.250 1.00 0.59 C ATOM 1131 CE1 TYR A 71 -11.674 -4.606 -7.501 1.00 0.81 C ATOM 1132 CE2 TYR A 71 -11.359 -2.213 -7.263 1.00 0.64 C ATOM 1133 CZ TYR A 71 -12.211 -3.318 -7.388 1.00 0.66 C ATOM 1134 OH TYR A 71 -13.580 -3.138 -7.402 1.00 0.80 O ATOM 0 H TYR A 71 -5.712 -4.005 -5.419 1.00 0.29 H new ATOM 0 HA TYR A 71 -8.435 -5.169 -5.700 1.00 0.32 H new ATOM 0 HB2 TYR A 71 -7.437 -2.915 -7.258 1.00 0.40 H new ATOM 0 HB3 TYR A 71 -7.613 -4.314 -8.300 1.00 0.40 H new ATOM 0 HD1 TYR A 71 -9.872 -5.783 -7.575 1.00 0.70 H new ATOM 0 HD2 TYR A 71 -9.316 -1.544 -7.154 1.00 0.59 H new ATOM 0 HE1 TYR A 71 -12.330 -5.458 -7.598 1.00 0.81 H new ATOM 0 HE2 TYR A 71 -11.773 -1.219 -7.177 1.00 0.64 H new ATOM 0 HH TYR A 71 -13.785 -2.184 -7.313 1.00 0.80 H new ATOM 1144 N TYR A 72 -7.360 -7.056 -7.075 1.00 0.50 N ATOM 1145 CA TYR A 72 -6.616 -8.238 -7.605 1.00 0.59 C ATOM 1146 C TYR A 72 -6.857 -8.365 -9.112 1.00 0.72 C ATOM 1147 O TYR A 72 -7.985 -8.333 -9.574 1.00 0.91 O ATOM 1148 CB TYR A 72 -7.093 -9.508 -6.893 1.00 0.74 C ATOM 1149 CG TYR A 72 -6.737 -9.425 -5.424 1.00 0.69 C ATOM 1150 CD1 TYR A 72 -5.407 -9.214 -5.037 1.00 0.87 C ATOM 1151 CD2 TYR A 72 -7.736 -9.552 -4.450 1.00 0.82 C ATOM 1152 CE1 TYR A 72 -5.077 -9.128 -3.679 1.00 1.00 C ATOM 1153 CE2 TYR A 72 -7.405 -9.469 -3.092 1.00 0.81 C ATOM 1154 CZ TYR A 72 -6.076 -9.256 -2.706 1.00 0.84 C ATOM 1155 OH TYR A 72 -5.749 -9.172 -1.367 1.00 0.99 O ATOM 0 H TYR A 72 -8.371 -7.173 -7.014 1.00 0.50 H new ATOM 0 HA TYR A 72 -5.549 -8.105 -7.423 1.00 0.59 H new ATOM 0 HB2 TYR A 72 -8.171 -9.622 -7.011 1.00 0.74 H new ATOM 0 HB3 TYR A 72 -6.629 -10.386 -7.342 1.00 0.74 H new ATOM 0 HD1 TYR A 72 -4.636 -9.118 -5.787 1.00 0.87 H new ATOM 0 HD2 TYR A 72 -8.762 -9.714 -4.747 1.00 0.82 H new ATOM 0 HE1 TYR A 72 -4.052 -8.963 -3.382 1.00 1.00 H new ATOM 0 HE2 TYR A 72 -8.175 -9.569 -2.342 1.00 0.81 H new ATOM 0 HH TYR A 72 -6.235 -8.426 -0.958 1.00 0.99 H new ATOM 1165 N LEU A 73 -5.801 -8.507 -9.876 1.00 0.75 N ATOM 1166 CA LEU A 73 -5.947 -8.635 -11.359 1.00 0.94 C ATOM 1167 C LEU A 73 -6.473 -10.036 -11.715 1.00 1.13 C ATOM 1168 O LEU A 73 -5.892 -11.011 -11.256 1.00 1.22 O ATOM 1169 CB LEU A 73 -4.585 -8.403 -12.030 1.00 1.06 C ATOM 1170 CG LEU A 73 -4.743 -7.421 -13.195 1.00 1.18 C ATOM 1171 CD1 LEU A 73 -3.795 -6.235 -13.000 1.00 1.43 C ATOM 1172 CD2 LEU A 73 -4.408 -8.130 -14.512 1.00 1.58 C ATOM 1173 OXT LEU A 73 -7.452 -10.109 -12.439 1.00 1.25 O ATOM 0 H LEU A 73 -4.841 -8.540 -9.534 1.00 0.75 H new ATOM 0 HA LEU A 73 -6.657 -7.890 -11.716 1.00 0.94 H new ATOM 0 HB2 LEU A 73 -3.874 -8.009 -11.304 1.00 1.06 H new ATOM 0 HB3 LEU A 73 -4.181 -9.349 -12.391 1.00 1.06 H new ATOM 0 HG LEU A 73 -5.772 -7.062 -13.226 1.00 1.18 H new ATOM 0 HD11 LEU A 73 -3.909 -5.538 -13.830 1.00 1.43 H new ATOM 0 HD12 LEU A 73 -4.034 -5.728 -12.065 1.00 1.43 H new ATOM 0 HD13 LEU A 73 -2.766 -6.593 -12.966 1.00 1.43 H new ATOM 0 HD21 LEU A 73 -4.521 -7.431 -15.341 1.00 1.58 H new ATOM 0 HD22 LEU A 73 -3.380 -8.491 -14.479 1.00 1.58 H new ATOM 0 HD23 LEU A 73 -5.085 -8.973 -14.654 1.00 1.58 H new TER 1185 LEU A 73