USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 371 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 126 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 132 MET CE :methyl 162:sc= -0.0431 (180deg=-0.387) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 149:sc= 0.00201 (180deg=0) USER MOD Single : A 138 TYR OH : rot -117:sc= -0.378 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot -66:sc= 1.14 USER MOD Single : A 154 LYS NZ :NH3+ -154:sc= -0.0252 (180deg=-0.336) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -3.156 13.145 -14.575 1.00 0.00 N ATOM 2 CA ASN A 126 -3.177 11.781 -13.984 1.00 0.00 C ATOM 3 C ASN A 126 -3.835 11.787 -12.607 1.00 0.00 C ATOM 4 O ASN A 126 -3.677 12.734 -11.837 1.00 0.00 O ATOM 5 CB ASN A 126 -1.737 11.272 -13.882 1.00 0.00 C ATOM 6 CG ASN A 126 -1.556 9.918 -14.539 1.00 0.00 C ATOM 7 OD1 ASN A 126 -1.445 8.896 -13.861 1.00 0.00 O ATOM 8 ND2 ASN A 126 -1.522 9.904 -15.867 1.00 0.00 N ATOM 0 HA ASN A 126 -3.763 11.122 -14.624 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -1.066 11.992 -14.349 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -1.452 11.205 -12.832 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -1.400 9.022 -16.365 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -1.618 10.775 -16.389 1.00 0.00 H new ATOM 17 N ARG A 127 -4.573 10.725 -12.305 1.00 0.00 N ATOM 18 CA ARG A 127 -5.255 10.608 -11.021 1.00 0.00 C ATOM 19 C ARG A 127 -4.381 9.881 -10.004 1.00 0.00 C ATOM 20 O ARG A 127 -3.430 9.191 -10.369 1.00 0.00 O ATOM 21 CB ARG A 127 -6.583 9.868 -11.192 1.00 0.00 C ATOM 22 CG ARG A 127 -7.556 10.570 -12.125 1.00 0.00 C ATOM 23 CD ARG A 127 -8.895 10.827 -11.450 1.00 0.00 C ATOM 24 NE ARG A 127 -9.734 11.737 -12.225 1.00 0.00 N ATOM 25 CZ ARG A 127 -11.029 11.938 -11.985 1.00 0.00 C ATOM 26 NH1 ARG A 127 -11.634 11.297 -10.994 1.00 0.00 N ATOM 27 NH2 ARG A 127 -11.719 12.783 -12.739 1.00 0.00 N ATOM 0 H ARG A 127 -4.715 9.933 -12.931 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.452 11.614 -10.649 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.385 8.867 -11.574 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.051 9.749 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.127 11.516 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.708 9.962 -13.017 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.418 9.881 -11.312 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -8.726 11.246 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.303 12.249 -12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -11.108 10.646 -10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -12.626 11.455 -10.815 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -11.258 13.279 -13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -12.710 12.937 -12.556 1.00 0.00 H new ATOM 41 N ARG A 128 -4.711 10.040 -8.727 1.00 0.00 N ATOM 42 CA ARG A 128 -3.958 9.399 -7.656 1.00 0.00 C ATOM 43 C ARG A 128 -4.537 8.026 -7.330 1.00 0.00 C ATOM 44 O ARG A 128 -5.558 7.623 -7.890 1.00 0.00 O ATOM 45 CB ARG A 128 -3.960 10.280 -6.404 1.00 0.00 C ATOM 46 CG ARG A 128 -2.680 11.079 -6.220 1.00 0.00 C ATOM 47 CD ARG A 128 -2.381 11.945 -7.435 1.00 0.00 C ATOM 48 NE ARG A 128 -0.988 11.832 -7.858 1.00 0.00 N ATOM 49 CZ ARG A 128 -0.528 12.283 -9.024 1.00 0.00 C ATOM 50 NH1 ARG A 128 -1.347 12.876 -9.883 1.00 0.00 N ATOM 51 NH2 ARG A 128 0.754 12.139 -9.331 1.00 0.00 N ATOM 0 H ARG A 128 -5.496 10.608 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 128 -2.931 9.267 -7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.804 10.968 -6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.115 9.651 -5.527 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.768 11.710 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -1.847 10.398 -6.044 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.034 11.654 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.606 12.986 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.329 11.381 -7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.334 12.988 -9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.990 13.220 -10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.388 11.683 -8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.107 12.484 -10.224 1.00 0.00 H new ATOM 65 N VAL A 129 -3.881 7.312 -6.422 1.00 0.00 N ATOM 66 CA VAL A 129 -4.329 5.984 -6.021 1.00 0.00 C ATOM 67 C VAL A 129 -5.065 6.032 -4.687 1.00 0.00 C ATOM 68 O VAL A 129 -4.909 6.977 -3.914 1.00 0.00 O ATOM 69 CB VAL A 129 -3.147 5.002 -5.907 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.649 3.579 -5.714 1.00 0.00 C ATOM 71 CG2 VAL A 129 -2.253 5.098 -7.134 1.00 0.00 C ATOM 0 H VAL A 129 -3.036 7.632 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.010 5.633 -6.797 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.556 5.275 -5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.799 2.901 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -4.243 3.523 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.265 3.292 -6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -1.424 4.397 -7.036 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.831 4.854 -8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.863 6.112 -7.221 1.00 0.00 H new ATOM 81 N ILE A 130 -5.867 5.006 -4.421 1.00 0.00 N ATOM 82 CA ILE A 130 -6.626 4.931 -3.178 1.00 0.00 C ATOM 83 C ILE A 130 -5.748 4.443 -2.029 1.00 0.00 C ATOM 84 O ILE A 130 -6.025 3.413 -1.413 1.00 0.00 O ATOM 85 CB ILE A 130 -7.845 3.995 -3.318 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.608 4.305 -4.608 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.760 4.128 -2.108 1.00 0.00 C ATOM 88 CD1 ILE A 130 -9.826 3.430 -4.817 1.00 0.00 C ATOM 0 H ILE A 130 -6.008 4.215 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.978 5.939 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.490 2.966 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -8.919 5.349 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.934 4.185 -5.457 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.615 3.461 -2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -8.210 3.861 -1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -9.111 5.157 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -10.317 3.706 -5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.520 2.385 -4.864 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -10.520 3.568 -3.988 1.00 0.00 H new ATOM 100 N ALA A 131 -4.686 5.192 -1.744 1.00 0.00 N ATOM 101 CA ALA A 131 -3.764 4.837 -0.671 1.00 0.00 C ATOM 102 C ALA A 131 -3.700 5.940 0.382 1.00 0.00 C ATOM 103 O ALA A 131 -4.221 7.036 0.179 1.00 0.00 O ATOM 104 CB ALA A 131 -2.378 4.561 -1.234 1.00 0.00 C ATOM 0 H ALA A 131 -4.443 6.049 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.134 3.931 -0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -1.701 4.297 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.431 3.736 -1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.007 5.452 -1.741 1.00 0.00 H new ATOM 110 N MET A 132 -3.056 5.641 1.505 1.00 0.00 N ATOM 111 CA MET A 132 -2.921 6.606 2.590 1.00 0.00 C ATOM 112 C MET A 132 -1.548 7.274 2.559 1.00 0.00 C ATOM 113 O MET A 132 -0.634 6.799 1.886 1.00 0.00 O ATOM 114 CB MET A 132 -3.139 5.917 3.939 1.00 0.00 C ATOM 115 CG MET A 132 -4.564 6.026 4.454 1.00 0.00 C ATOM 116 SD MET A 132 -4.764 5.315 6.099 1.00 0.00 S ATOM 117 CE MET A 132 -3.861 6.501 7.093 1.00 0.00 C ATOM 0 H MET A 132 -2.619 4.738 1.688 1.00 0.00 H new ATOM 0 HA MET A 132 -3.680 7.377 2.456 1.00 0.00 H new ATOM 0 HB2 MET A 132 -2.875 4.864 3.847 1.00 0.00 H new ATOM 0 HB3 MET A 132 -2.462 6.352 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 132 -4.858 7.075 4.478 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.237 5.522 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.149 6.393 8.139 1.00 0.00 H new ATOM 0 HE2 MET A 132 -2.791 6.321 6.991 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.093 7.511 6.755 1.00 0.00 H new ATOM 127 N PRO A 133 -1.383 8.389 3.294 1.00 0.00 N ATOM 128 CA PRO A 133 -0.112 9.118 3.348 1.00 0.00 C ATOM 129 C PRO A 133 1.031 8.245 3.851 1.00 0.00 C ATOM 130 O PRO A 133 2.122 8.240 3.278 1.00 0.00 O ATOM 131 CB PRO A 133 -0.386 10.264 4.332 1.00 0.00 C ATOM 132 CG PRO A 133 -1.608 9.856 5.081 1.00 0.00 C ATOM 133 CD PRO A 133 -2.415 9.023 4.128 1.00 0.00 C ATOM 0 HA PRO A 133 0.200 9.460 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 133 0.457 10.413 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.543 11.205 3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.347 9.287 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.172 10.728 5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.022 8.284 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.096 9.633 3.535 1.00 0.00 H new ATOM 141 N SER A 134 0.775 7.502 4.923 1.00 0.00 N ATOM 142 CA SER A 134 1.784 6.621 5.500 1.00 0.00 C ATOM 143 C SER A 134 2.058 5.439 4.576 1.00 0.00 C ATOM 144 O SER A 134 3.197 4.991 4.444 1.00 0.00 O ATOM 145 CB SER A 134 1.331 6.120 6.872 1.00 0.00 C ATOM 146 OG SER A 134 1.159 7.196 7.777 1.00 0.00 O ATOM 0 H SER A 134 -0.122 7.492 5.409 1.00 0.00 H new ATOM 0 HA SER A 134 2.706 7.190 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.394 5.572 6.771 1.00 0.00 H new ATOM 0 HB3 SER A 134 2.068 5.421 7.269 1.00 0.00 H new ATOM 0 HG SER A 134 0.868 6.849 8.646 1.00 0.00 H new ATOM 152 N VAL A 135 1.004 4.941 3.938 1.00 0.00 N ATOM 153 CA VAL A 135 1.128 3.814 3.023 1.00 0.00 C ATOM 154 C VAL A 135 1.992 4.181 1.821 1.00 0.00 C ATOM 155 O VAL A 135 2.781 3.368 1.338 1.00 0.00 O ATOM 156 CB VAL A 135 -0.254 3.334 2.538 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.117 2.160 1.579 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.125 2.959 3.726 1.00 0.00 C ATOM 0 H VAL A 135 0.055 5.301 4.038 1.00 0.00 H new ATOM 0 HA VAL A 135 1.607 3.003 3.571 1.00 0.00 H new ATOM 0 HB VAL A 135 -0.733 4.151 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.106 1.840 1.252 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.471 2.464 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.382 1.334 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.099 2.621 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.647 2.158 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.255 3.828 4.371 1.00 0.00 H new ATOM 168 N ARG A 136 1.851 5.414 1.348 1.00 0.00 N ATOM 169 CA ARG A 136 2.635 5.880 0.213 1.00 0.00 C ATOM 170 C ARG A 136 4.111 5.903 0.582 1.00 0.00 C ATOM 171 O ARG A 136 4.952 5.368 -0.140 1.00 0.00 O ATOM 172 CB ARG A 136 2.169 7.271 -0.227 1.00 0.00 C ATOM 173 CG ARG A 136 1.376 7.269 -1.526 1.00 0.00 C ATOM 174 CD ARG A 136 0.199 6.307 -1.471 1.00 0.00 C ATOM 175 NE ARG A 136 -1.075 7.015 -1.383 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.554 7.802 -2.344 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.871 7.981 -3.468 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.721 8.411 -2.181 1.00 0.00 N ATOM 0 H ARG A 136 1.205 6.104 1.731 1.00 0.00 H new ATOM 0 HA ARG A 136 2.490 5.194 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 136 1.555 7.705 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.040 7.916 -0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.012 8.276 -1.731 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.032 6.993 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.204 5.676 -2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.309 5.647 -0.610 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.631 6.900 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 136 0.026 7.514 -3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.244 8.585 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.251 8.276 -1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.089 9.014 -2.917 1.00 0.00 H new ATOM 192 N LYS A 137 4.418 6.500 1.731 1.00 0.00 N ATOM 193 CA LYS A 137 5.791 6.560 2.212 1.00 0.00 C ATOM 194 C LYS A 137 6.331 5.141 2.373 1.00 0.00 C ATOM 195 O LYS A 137 7.515 4.884 2.166 1.00 0.00 O ATOM 196 CB LYS A 137 5.853 7.323 3.543 1.00 0.00 C ATOM 197 CG LYS A 137 6.957 6.857 4.481 1.00 0.00 C ATOM 198 CD LYS A 137 6.983 7.677 5.762 1.00 0.00 C ATOM 199 CE LYS A 137 7.519 6.867 6.932 1.00 0.00 C ATOM 200 NZ LYS A 137 8.527 7.631 7.719 1.00 0.00 N ATOM 0 H LYS A 137 3.735 6.947 2.343 1.00 0.00 H new ATOM 0 HA LYS A 137 6.409 7.093 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 137 5.993 8.384 3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 137 4.894 7.222 4.051 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.809 5.805 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 137 7.921 6.936 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 137 7.603 8.562 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.977 8.027 5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.693 6.578 7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.970 5.947 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.486 7.336 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 9.478 7.443 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 8.323 8.648 7.650 1.00 0.00 H new ATOM 214 N TYR A 138 5.435 4.228 2.733 1.00 0.00 N ATOM 215 CA TYR A 138 5.782 2.824 2.913 1.00 0.00 C ATOM 216 C TYR A 138 6.364 2.251 1.628 1.00 0.00 C ATOM 217 O TYR A 138 7.505 1.791 1.597 1.00 0.00 O ATOM 218 CB TYR A 138 4.532 2.033 3.315 1.00 0.00 C ATOM 219 CG TYR A 138 4.794 0.644 3.867 1.00 0.00 C ATOM 220 CD1 TYR A 138 5.988 -0.027 3.624 1.00 0.00 C ATOM 221 CD2 TYR A 138 3.829 0.002 4.631 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.209 -1.294 4.129 1.00 0.00 C ATOM 223 CE2 TYR A 138 4.044 -1.264 5.139 1.00 0.00 C ATOM 224 CZ TYR A 138 5.234 -1.909 4.885 1.00 0.00 C ATOM 225 OH TYR A 138 5.453 -3.170 5.390 1.00 0.00 O ATOM 0 H TYR A 138 4.453 4.440 2.907 1.00 0.00 H new ATOM 0 HA TYR A 138 6.532 2.745 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.984 2.606 4.063 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.883 1.944 2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.754 0.450 3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 138 2.893 0.502 4.832 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.142 -1.801 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 138 3.282 -1.746 5.733 1.00 0.00 H new ATOM 0 HH TYR A 138 4.804 -3.794 5.004 1.00 0.00 H new ATOM 235 N ALA A 139 5.565 2.279 0.572 1.00 0.00 N ATOM 236 CA ALA A 139 5.991 1.753 -0.716 1.00 0.00 C ATOM 237 C ALA A 139 7.217 2.490 -1.248 1.00 0.00 C ATOM 238 O ALA A 139 8.028 1.916 -1.973 1.00 0.00 O ATOM 239 CB ALA A 139 4.846 1.828 -1.710 1.00 0.00 C ATOM 0 H ALA A 139 4.619 2.660 0.582 1.00 0.00 H new ATOM 0 HA ALA A 139 6.275 0.710 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 139 5.173 1.432 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 139 4.006 1.239 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 139 4.537 2.866 -1.831 1.00 0.00 H new ATOM 245 N ARG A 140 7.350 3.760 -0.886 1.00 0.00 N ATOM 246 CA ARG A 140 8.483 4.563 -1.335 1.00 0.00 C ATOM 247 C ARG A 140 9.731 4.272 -0.506 1.00 0.00 C ATOM 248 O ARG A 140 10.855 4.426 -0.987 1.00 0.00 O ATOM 249 CB ARG A 140 8.142 6.051 -1.261 1.00 0.00 C ATOM 250 CG ARG A 140 7.076 6.482 -2.255 1.00 0.00 C ATOM 251 CD ARG A 140 7.126 7.979 -2.510 1.00 0.00 C ATOM 252 NE ARG A 140 5.923 8.462 -3.182 1.00 0.00 N ATOM 253 CZ ARG A 140 5.850 9.621 -3.831 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.908 10.420 -3.897 1.00 0.00 N ATOM 255 NH2 ARG A 140 4.717 9.983 -4.418 1.00 0.00 N ATOM 0 H ARG A 140 6.691 4.255 -0.285 1.00 0.00 H new ATOM 0 HA ARG A 140 8.692 4.295 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 140 7.803 6.288 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 140 9.047 6.632 -1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.215 5.947 -3.194 1.00 0.00 H new ATOM 0 HG3 ARG A 140 6.091 6.209 -1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 140 7.247 8.504 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 140 8.000 8.214 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 140 5.089 7.876 -3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.782 10.146 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 140 6.847 11.308 -4.396 1.00 0.00 H new ATOM 0 HH21 ARG A 140 3.901 9.373 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG A 140 4.662 10.872 -4.915 1.00 0.00 H new ATOM 269 N GLU A 141 9.529 3.853 0.737 1.00 0.00 N ATOM 270 CA GLU A 141 10.642 3.544 1.630 1.00 0.00 C ATOM 271 C GLU A 141 11.104 2.102 1.447 1.00 0.00 C ATOM 272 O GLU A 141 12.272 1.783 1.669 1.00 0.00 O ATOM 273 CB GLU A 141 10.235 3.781 3.086 1.00 0.00 C ATOM 274 CG GLU A 141 10.369 5.230 3.527 1.00 0.00 C ATOM 275 CD GLU A 141 10.891 5.362 4.944 1.00 0.00 C ATOM 276 OE1 GLU A 141 12.096 5.110 5.159 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.096 5.714 5.839 1.00 0.00 O ATOM 0 H GLU A 141 8.606 3.719 1.151 1.00 0.00 H new ATOM 0 HA GLU A 141 11.471 4.206 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.201 3.463 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.849 3.155 3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 141 11.041 5.753 2.846 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.398 5.719 3.454 1.00 0.00 H new ATOM 284 N LYS A 142 10.182 1.236 1.042 1.00 0.00 N ATOM 285 CA LYS A 142 10.497 -0.172 0.832 1.00 0.00 C ATOM 286 C LYS A 142 10.868 -0.441 -0.625 1.00 0.00 C ATOM 287 O LYS A 142 11.559 -1.414 -0.928 1.00 0.00 O ATOM 288 CB LYS A 142 9.310 -1.048 1.241 1.00 0.00 C ATOM 289 CG LYS A 142 9.614 -1.976 2.406 1.00 0.00 C ATOM 290 CD LYS A 142 9.707 -1.213 3.717 1.00 0.00 C ATOM 291 CE LYS A 142 9.669 -2.152 4.912 1.00 0.00 C ATOM 292 NZ LYS A 142 9.970 -1.443 6.186 1.00 0.00 N ATOM 0 H LYS A 142 9.211 1.484 0.853 1.00 0.00 H new ATOM 0 HA LYS A 142 11.356 -0.421 1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 142 8.470 -0.406 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.996 -1.644 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 142 8.835 -2.735 2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 142 10.552 -2.499 2.221 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.630 -0.634 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 142 8.883 -0.502 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 142 8.685 -2.615 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 142 10.390 -2.956 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.934 -2.118 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.920 -1.022 6.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 9.267 -0.692 6.340 1.00 0.00 H new ATOM 306 N GLY A 143 10.405 0.422 -1.526 1.00 0.00 N ATOM 307 CA GLY A 143 10.703 0.249 -2.936 1.00 0.00 C ATOM 308 C GLY A 143 9.558 -0.396 -3.699 1.00 0.00 C ATOM 309 O GLY A 143 9.719 -0.787 -4.854 1.00 0.00 O ATOM 0 H GLY A 143 9.831 1.235 -1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.928 1.220 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.597 -0.365 -3.042 1.00 0.00 H new ATOM 313 N VAL A 144 8.401 -0.501 -3.052 1.00 0.00 N ATOM 314 CA VAL A 144 7.227 -1.095 -3.677 1.00 0.00 C ATOM 315 C VAL A 144 6.404 -0.033 -4.397 1.00 0.00 C ATOM 316 O VAL A 144 6.510 1.156 -4.097 1.00 0.00 O ATOM 317 CB VAL A 144 6.337 -1.803 -2.634 1.00 0.00 C ATOM 318 CG1 VAL A 144 5.149 -2.476 -3.307 1.00 0.00 C ATOM 319 CG2 VAL A 144 7.151 -2.811 -1.834 1.00 0.00 C ATOM 0 H VAL A 144 8.253 -0.182 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 144 7.581 -1.831 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 144 5.952 -1.052 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.535 -2.969 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 144 4.553 -1.726 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 144 5.507 -3.215 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.507 -3.301 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.569 -3.559 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.961 -2.296 -1.317 1.00 0.00 H new ATOM 329 N ASP A 145 5.584 -0.466 -5.348 1.00 0.00 N ATOM 330 CA ASP A 145 4.747 0.457 -6.105 1.00 0.00 C ATOM 331 C ASP A 145 3.297 0.387 -5.638 1.00 0.00 C ATOM 332 O ASP A 145 2.569 -0.549 -5.967 1.00 0.00 O ATOM 333 CB ASP A 145 4.835 0.155 -7.603 1.00 0.00 C ATOM 334 CG ASP A 145 3.957 1.075 -8.435 1.00 0.00 C ATOM 335 OD1 ASP A 145 3.238 1.910 -7.844 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.988 0.959 -9.679 1.00 0.00 O ATOM 0 H ASP A 145 5.481 -1.446 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 145 5.115 1.468 -5.928 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.870 0.253 -7.930 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.541 -0.880 -7.780 1.00 0.00 H new ATOM 341 N ILE A 146 2.889 1.394 -4.877 1.00 0.00 N ATOM 342 CA ILE A 146 1.532 1.482 -4.359 1.00 0.00 C ATOM 343 C ILE A 146 0.495 1.215 -5.445 1.00 0.00 C ATOM 344 O ILE A 146 -0.476 0.490 -5.230 1.00 0.00 O ATOM 345 CB ILE A 146 1.279 2.876 -3.767 1.00 0.00 C ATOM 346 CG1 ILE A 146 1.709 3.956 -4.771 1.00 0.00 C ATOM 347 CG2 ILE A 146 2.017 3.022 -2.445 1.00 0.00 C ATOM 348 CD1 ILE A 146 1.762 5.354 -4.195 1.00 0.00 C ATOM 0 H ILE A 146 3.489 2.171 -4.602 1.00 0.00 H new ATOM 0 HA ILE A 146 1.432 0.720 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 146 0.214 3.001 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 146 2.693 3.700 -5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.018 3.949 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 146 1.832 4.014 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 146 1.662 2.266 -1.745 1.00 0.00 H new ATOM 0 HG23 ILE A 146 3.087 2.891 -2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 146 2.074 6.055 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 146 0.774 5.634 -3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 146 2.476 5.381 -3.372 1.00 0.00 H new ATOM 360 N ARG A 147 0.709 1.817 -6.608 1.00 0.00 N ATOM 361 CA ARG A 147 -0.204 1.665 -7.739 1.00 0.00 C ATOM 362 C ARG A 147 -0.528 0.198 -8.027 1.00 0.00 C ATOM 363 O ARG A 147 -1.558 -0.105 -8.630 1.00 0.00 O ATOM 364 CB ARG A 147 0.388 2.316 -8.989 1.00 0.00 C ATOM 365 CG ARG A 147 0.336 3.835 -8.969 1.00 0.00 C ATOM 366 CD ARG A 147 -0.749 4.369 -9.891 1.00 0.00 C ATOM 367 NE ARG A 147 -0.557 5.783 -10.201 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.517 6.575 -10.673 1.00 0.00 C ATOM 369 NH1 ARG A 147 -2.736 6.097 -10.890 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.258 7.850 -10.928 1.00 0.00 N ATOM 0 H ARG A 147 1.511 2.419 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.135 2.164 -7.469 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.425 1.998 -9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.149 1.954 -9.866 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.152 4.180 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 147 1.303 4.237 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -0.754 3.793 -10.816 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.723 4.230 -9.423 1.00 0.00 H new ATOM 0 HE ARG A 147 0.367 6.187 -10.047 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.942 5.117 -10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.467 6.709 -11.252 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.323 8.224 -10.762 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -1.993 8.457 -11.290 1.00 0.00 H new ATOM 384 N LEU A 148 0.349 -0.713 -7.610 1.00 0.00 N ATOM 385 CA LEU A 148 0.124 -2.138 -7.850 1.00 0.00 C ATOM 386 C LEU A 148 0.072 -2.938 -6.551 1.00 0.00 C ATOM 387 O LEU A 148 0.299 -4.148 -6.554 1.00 0.00 O ATOM 388 CB LEU A 148 1.207 -2.713 -8.769 1.00 0.00 C ATOM 389 CG LEU A 148 2.626 -2.198 -8.521 1.00 0.00 C ATOM 390 CD1 LEU A 148 3.360 -3.103 -7.545 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.392 -2.097 -9.832 1.00 0.00 C ATOM 0 H LEU A 148 1.211 -0.495 -7.111 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.847 -2.226 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 148 1.210 -3.798 -8.663 1.00 0.00 H new ATOM 0 HB3 LEU A 148 0.936 -2.494 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 148 2.558 -1.202 -8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 148 4.367 -2.720 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 148 2.823 -3.128 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 148 3.417 -4.111 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.399 -1.729 -9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.449 -3.081 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.877 -1.408 -10.502 1.00 0.00 H new ATOM 403 N VAL A 149 -0.239 -2.270 -5.444 1.00 0.00 N ATOM 404 CA VAL A 149 -0.330 -2.951 -4.157 1.00 0.00 C ATOM 405 C VAL A 149 -1.736 -3.508 -3.945 1.00 0.00 C ATOM 406 O VAL A 149 -2.716 -2.945 -4.433 1.00 0.00 O ATOM 407 CB VAL A 149 0.039 -2.015 -2.986 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.247 -2.679 -1.646 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.500 -1.607 -3.075 1.00 0.00 C ATOM 0 H VAL A 149 -0.430 -1.269 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 149 0.387 -3.771 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.579 -1.120 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.022 -1.999 -0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.308 -2.921 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.340 -3.594 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.745 -0.947 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.129 -2.496 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.675 -1.085 -4.016 1.00 0.00 H new ATOM 419 N GLN A 150 -1.825 -4.619 -3.222 1.00 0.00 N ATOM 420 CA GLN A 150 -3.111 -5.254 -2.955 1.00 0.00 C ATOM 421 C GLN A 150 -3.898 -4.471 -1.907 1.00 0.00 C ATOM 422 O GLN A 150 -3.936 -4.846 -0.735 1.00 0.00 O ATOM 423 CB GLN A 150 -2.902 -6.697 -2.489 1.00 0.00 C ATOM 424 CG GLN A 150 -3.458 -7.733 -3.454 1.00 0.00 C ATOM 425 CD GLN A 150 -2.382 -8.633 -4.030 1.00 0.00 C ATOM 426 OE1 GLN A 150 -2.047 -8.541 -5.211 1.00 0.00 O ATOM 427 NE2 GLN A 150 -1.836 -9.510 -3.196 1.00 0.00 N ATOM 0 H GLN A 150 -1.024 -5.098 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.687 -5.260 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -1.835 -6.875 -2.352 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -3.375 -6.828 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -4.199 -8.344 -2.938 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -3.975 -7.225 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -2.145 -9.551 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -1.108 -10.143 -3.526 1.00 0.00 H new ATOM 436 N GLY A 151 -4.527 -3.384 -2.340 1.00 0.00 N ATOM 437 CA GLY A 151 -5.307 -2.567 -1.430 1.00 0.00 C ATOM 438 C GLY A 151 -6.725 -3.074 -1.270 1.00 0.00 C ATOM 439 O GLY A 151 -7.502 -3.078 -2.226 1.00 0.00 O ATOM 0 H GLY A 151 -4.510 -3.054 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.819 -2.547 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.330 -1.541 -1.796 1.00 0.00 H new ATOM 443 N THR A 152 -7.065 -3.509 -0.061 1.00 0.00 N ATOM 444 CA THR A 152 -8.401 -4.024 0.216 1.00 0.00 C ATOM 445 C THR A 152 -8.889 -3.571 1.589 1.00 0.00 C ATOM 446 O THR A 152 -9.470 -4.352 2.342 1.00 0.00 O ATOM 447 CB THR A 152 -8.406 -5.552 0.138 1.00 0.00 C ATOM 448 OG1 THR A 152 -9.660 -6.070 0.547 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.340 -6.198 0.995 1.00 0.00 C ATOM 0 H THR A 152 -6.435 -3.515 0.741 1.00 0.00 H new ATOM 0 HA THR A 152 -9.080 -3.625 -0.538 1.00 0.00 H new ATOM 0 HB THR A 152 -8.202 -5.789 -0.906 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.793 -5.889 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.399 -7.282 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.357 -5.856 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.495 -5.922 2.038 1.00 0.00 H new ATOM 457 N GLY A 153 -8.651 -2.304 1.908 1.00 0.00 N ATOM 458 CA GLY A 153 -9.073 -1.769 3.189 1.00 0.00 C ATOM 459 C GLY A 153 -10.146 -0.707 3.049 1.00 0.00 C ATOM 460 O GLY A 153 -9.852 0.440 2.719 1.00 0.00 O ATOM 0 H GLY A 153 -8.173 -1.637 1.302 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.449 -2.581 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.211 -1.345 3.704 1.00 0.00 H new ATOM 464 N LYS A 154 -11.394 -1.091 3.298 1.00 0.00 N ATOM 465 CA LYS A 154 -12.516 -0.162 3.198 1.00 0.00 C ATOM 466 C LYS A 154 -12.570 0.487 1.817 1.00 0.00 C ATOM 467 O LYS A 154 -11.803 1.401 1.519 1.00 0.00 O ATOM 468 CB LYS A 154 -12.410 0.917 4.276 1.00 0.00 C ATOM 469 CG LYS A 154 -13.629 1.822 4.353 1.00 0.00 C ATOM 470 CD LYS A 154 -13.423 2.957 5.345 1.00 0.00 C ATOM 471 CE LYS A 154 -14.459 2.920 6.458 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.845 3.052 5.931 1.00 0.00 N ATOM 0 H LYS A 154 -11.655 -2.039 3.570 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.435 -0.728 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.261 0.438 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -11.527 1.526 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -13.839 2.234 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.500 1.236 4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -12.424 2.889 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.482 3.912 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.367 1.983 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.261 3.726 7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.459 3.456 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.842 3.678 5.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -16.203 2.115 5.657 1.00 0.00 H new ATOM 486 N ASN A 155 -13.484 0.006 0.980 1.00 0.00 N ATOM 487 CA ASN A 155 -13.645 0.536 -0.371 1.00 0.00 C ATOM 488 C ASN A 155 -12.411 0.255 -1.230 1.00 0.00 C ATOM 489 O ASN A 155 -12.248 0.837 -2.302 1.00 0.00 O ATOM 490 CB ASN A 155 -13.919 2.042 -0.324 1.00 0.00 C ATOM 491 CG ASN A 155 -15.271 2.402 -0.907 1.00 0.00 C ATOM 492 OD1 ASN A 155 -16.311 2.116 -0.315 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.262 3.033 -2.075 1.00 0.00 N ATOM 0 H ASN A 155 -14.126 -0.751 1.214 1.00 0.00 H new ATOM 0 HA ASN A 155 -14.497 0.032 -0.826 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.869 2.386 0.709 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.138 2.568 -0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.142 3.301 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.376 3.250 -2.530 1.00 0.00 H new ATOM 500 N GLY A 156 -11.547 -0.641 -0.757 1.00 0.00 N ATOM 501 CA GLY A 156 -10.349 -0.978 -1.502 1.00 0.00 C ATOM 502 C GLY A 156 -9.230 0.024 -1.299 1.00 0.00 C ATOM 503 O GLY A 156 -8.603 0.466 -2.261 1.00 0.00 O ATOM 0 H GLY A 156 -11.657 -1.138 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.004 -1.967 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.591 -1.036 -2.563 1.00 0.00 H new ATOM 507 N ARG A 157 -8.976 0.384 -0.045 1.00 0.00 N ATOM 508 CA ARG A 157 -7.922 1.339 0.274 1.00 0.00 C ATOM 509 C ARG A 157 -6.640 0.615 0.677 1.00 0.00 C ATOM 510 O ARG A 157 -6.663 -0.289 1.512 1.00 0.00 O ATOM 511 CB ARG A 157 -8.369 2.274 1.399 1.00 0.00 C ATOM 512 CG ARG A 157 -7.836 3.690 1.261 1.00 0.00 C ATOM 513 CD ARG A 157 -7.997 4.476 2.553 1.00 0.00 C ATOM 514 NE ARG A 157 -8.430 5.849 2.309 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.608 6.172 1.777 1.00 0.00 C ATOM 516 NH1 ARG A 157 -10.472 5.225 1.434 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.921 7.447 1.587 1.00 0.00 N ATOM 0 H ARG A 157 -9.485 0.029 0.765 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.721 1.932 -0.619 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -9.458 2.305 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.041 1.863 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.783 3.658 0.983 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -8.363 4.201 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.723 3.975 3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -7.050 4.485 3.092 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.793 6.605 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.236 4.243 1.577 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -11.372 5.479 1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.260 8.179 1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.823 7.696 1.180 1.00 0.00 H new ATOM 531 N VAL A 158 -5.526 1.019 0.076 1.00 0.00 N ATOM 532 CA VAL A 158 -4.235 0.410 0.371 1.00 0.00 C ATOM 533 C VAL A 158 -3.709 0.876 1.724 1.00 0.00 C ATOM 534 O VAL A 158 -3.443 2.061 1.922 1.00 0.00 O ATOM 535 CB VAL A 158 -3.195 0.743 -0.716 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.905 -0.025 -0.476 1.00 0.00 C ATOM 537 CG2 VAL A 158 -3.753 0.442 -2.100 1.00 0.00 C ATOM 0 H VAL A 158 -5.491 1.766 -0.618 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.389 -0.669 0.394 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.971 1.808 -0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -1.183 0.224 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.496 0.245 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -2.109 -1.095 -0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -3.004 0.683 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -4.008 -0.616 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -4.647 1.042 -2.270 1.00 0.00 H new ATOM 547 N LEU A 159 -3.563 -0.064 2.653 1.00 0.00 N ATOM 548 CA LEU A 159 -3.073 0.253 3.990 1.00 0.00 C ATOM 549 C LEU A 159 -1.714 -0.395 4.247 1.00 0.00 C ATOM 550 O LEU A 159 -1.216 -1.173 3.429 1.00 0.00 O ATOM 551 CB LEU A 159 -4.077 -0.209 5.047 1.00 0.00 C ATOM 552 CG LEU A 159 -5.506 0.297 4.846 1.00 0.00 C ATOM 553 CD1 LEU A 159 -6.509 -0.709 5.388 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.690 1.650 5.516 1.00 0.00 C ATOM 0 H LEU A 159 -3.777 -1.050 2.505 1.00 0.00 H new ATOM 0 HA LEU A 159 -2.955 1.335 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -4.092 -1.299 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.727 0.117 6.026 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.683 0.416 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -7.520 -0.332 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -6.393 -1.657 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -6.334 -0.860 6.453 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.712 1.996 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.494 1.557 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -4.995 2.369 5.081 1.00 0.00 H new ATOM 566 N LYS A 160 -1.120 -0.071 5.391 1.00 0.00 N ATOM 567 CA LYS A 160 0.179 -0.622 5.761 1.00 0.00 C ATOM 568 C LYS A 160 0.180 -2.143 5.624 1.00 0.00 C ATOM 569 O LYS A 160 1.122 -2.731 5.090 1.00 0.00 O ATOM 570 CB LYS A 160 0.532 -0.226 7.197 1.00 0.00 C ATOM 571 CG LYS A 160 1.975 0.220 7.368 1.00 0.00 C ATOM 572 CD LYS A 160 2.216 0.808 8.748 1.00 0.00 C ATOM 573 CE LYS A 160 3.698 1.022 9.012 1.00 0.00 C ATOM 574 NZ LYS A 160 4.299 -0.115 9.761 1.00 0.00 N ATOM 0 H LYS A 160 -1.517 0.570 6.078 1.00 0.00 H new ATOM 0 HA LYS A 160 0.929 -0.213 5.084 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.129 0.580 7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.342 -1.073 7.856 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.640 -0.629 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.220 0.961 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 160 1.689 1.758 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.803 0.142 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.221 1.149 8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 160 3.836 1.943 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.310 0.070 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 3.818 -0.221 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 4.190 -0.990 9.210 1.00 0.00 H new ATOM 588 N GLU A 161 -0.889 -2.770 6.104 1.00 0.00 N ATOM 589 CA GLU A 161 -1.022 -4.219 6.032 1.00 0.00 C ATOM 590 C GLU A 161 -1.003 -4.689 4.583 1.00 0.00 C ATOM 591 O GLU A 161 -0.466 -5.753 4.272 1.00 0.00 O ATOM 592 CB GLU A 161 -2.315 -4.671 6.712 1.00 0.00 C ATOM 593 CG GLU A 161 -2.378 -4.324 8.192 1.00 0.00 C ATOM 594 CD GLU A 161 -2.862 -5.482 9.043 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.581 -6.352 8.507 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.524 -5.518 10.244 1.00 0.00 O ATOM 0 H GLU A 161 -1.676 -2.296 6.547 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.175 -4.665 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.163 -4.212 6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -2.419 -5.750 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.389 -4.017 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -3.042 -3.472 8.333 1.00 0.00 H new ATOM 603 N ASP A 162 -1.584 -3.884 3.698 1.00 0.00 N ATOM 604 CA ASP A 162 -1.622 -4.216 2.282 1.00 0.00 C ATOM 605 C ASP A 162 -0.216 -4.198 1.698 1.00 0.00 C ATOM 606 O ASP A 162 0.138 -5.046 0.879 1.00 0.00 O ATOM 607 CB ASP A 162 -2.522 -3.233 1.532 1.00 0.00 C ATOM 608 CG ASP A 162 -3.994 -3.571 1.678 1.00 0.00 C ATOM 609 OD1 ASP A 162 -4.325 -4.774 1.715 1.00 0.00 O ATOM 610 OD2 ASP A 162 -4.814 -2.632 1.757 1.00 0.00 O ATOM 0 H ASP A 162 -2.033 -3.000 3.938 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.032 -5.219 2.169 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.345 -2.224 1.905 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.255 -3.233 0.475 1.00 0.00 H new ATOM 615 N ILE A 163 0.590 -3.235 2.139 1.00 0.00 N ATOM 616 CA ILE A 163 1.966 -3.122 1.673 1.00 0.00 C ATOM 617 C ILE A 163 2.756 -4.368 2.054 1.00 0.00 C ATOM 618 O ILE A 163 3.422 -4.979 1.216 1.00 0.00 O ATOM 619 CB ILE A 163 2.660 -1.882 2.271 1.00 0.00 C ATOM 620 CG1 ILE A 163 1.879 -0.612 1.918 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.105 -1.785 1.790 1.00 0.00 C ATOM 622 CD1 ILE A 163 2.225 -0.035 0.562 1.00 0.00 C ATOM 0 H ILE A 163 0.313 -2.524 2.816 1.00 0.00 H new ATOM 0 HA ILE A 163 1.938 -3.019 0.588 1.00 0.00 H new ATOM 0 HB ILE A 163 2.675 -1.984 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 163 0.812 -0.834 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.068 0.143 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.575 -0.903 2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 163 4.652 -2.676 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.122 -1.707 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.631 0.862 0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 163 3.284 0.221 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 163 2.009 -0.771 -0.212 1.00 0.00 H new ATOM 634 N ASP A 164 2.670 -4.745 3.327 1.00 0.00 N ATOM 635 CA ASP A 164 3.369 -5.924 3.825 1.00 0.00 C ATOM 636 C ASP A 164 2.951 -7.165 3.042 1.00 0.00 C ATOM 637 O ASP A 164 3.783 -8.004 2.698 1.00 0.00 O ATOM 638 CB ASP A 164 3.086 -6.123 5.316 1.00 0.00 C ATOM 639 CG ASP A 164 4.356 -6.214 6.139 1.00 0.00 C ATOM 640 OD1 ASP A 164 5.382 -5.644 5.712 1.00 0.00 O ATOM 641 OD2 ASP A 164 4.325 -6.855 7.210 1.00 0.00 O ATOM 0 H ASP A 164 2.123 -4.250 4.032 1.00 0.00 H new ATOM 0 HA ASP A 164 4.439 -5.770 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 164 2.478 -5.295 5.681 1.00 0.00 H new ATOM 0 HB3 ASP A 164 2.501 -7.033 5.454 1.00 0.00 H new ATOM 646 N ALA A 165 1.656 -7.267 2.756 1.00 0.00 N ATOM 647 CA ALA A 165 1.128 -8.399 2.006 1.00 0.00 C ATOM 648 C ALA A 165 1.754 -8.464 0.619 1.00 0.00 C ATOM 649 O ALA A 165 2.099 -9.540 0.130 1.00 0.00 O ATOM 650 CB ALA A 165 -0.387 -8.306 1.903 1.00 0.00 C ATOM 0 H ALA A 165 0.955 -6.580 3.033 1.00 0.00 H new ATOM 0 HA ALA A 165 1.384 -9.314 2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -0.766 -9.159 1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -0.821 -8.310 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -0.661 -7.383 1.392 1.00 0.00 H new ATOM 656 N PHE A 166 1.904 -7.302 -0.009 1.00 0.00 N ATOM 657 CA PHE A 166 2.497 -7.222 -1.338 1.00 0.00 C ATOM 658 C PHE A 166 3.927 -7.752 -1.317 1.00 0.00 C ATOM 659 O PHE A 166 4.312 -8.564 -2.160 1.00 0.00 O ATOM 660 CB PHE A 166 2.481 -5.776 -1.840 1.00 0.00 C ATOM 661 CG PHE A 166 3.113 -5.599 -3.193 1.00 0.00 C ATOM 662 CD1 PHE A 166 4.492 -5.572 -3.328 1.00 0.00 C ATOM 663 CD2 PHE A 166 2.329 -5.457 -4.327 1.00 0.00 C ATOM 664 CE1 PHE A 166 5.077 -5.408 -4.568 1.00 0.00 C ATOM 665 CE2 PHE A 166 2.908 -5.292 -5.570 1.00 0.00 C ATOM 666 CZ PHE A 166 4.285 -5.266 -5.691 1.00 0.00 C ATOM 0 H PHE A 166 1.623 -6.403 0.382 1.00 0.00 H new ATOM 0 HA PHE A 166 1.906 -7.838 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 166 1.449 -5.427 -1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 166 3.002 -5.145 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 166 5.116 -5.680 -2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 166 1.253 -5.476 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 166 6.153 -5.391 -4.660 1.00 0.00 H new ATOM 0 HE2 PHE A 166 2.286 -5.183 -6.446 1.00 0.00 H new ATOM 0 HZ PHE A 166 4.741 -5.135 -6.661 1.00 0.00 H new ATOM 676 N LEU A 167 4.708 -7.290 -0.346 1.00 0.00 N ATOM 677 CA LEU A 167 6.094 -7.720 -0.210 1.00 0.00 C ATOM 678 C LEU A 167 6.170 -9.133 0.350 1.00 0.00 C ATOM 679 O LEU A 167 6.502 -10.081 -0.361 1.00 0.00 O ATOM 680 CB LEU A 167 6.862 -6.758 0.698 1.00 0.00 C ATOM 681 CG LEU A 167 7.139 -5.379 0.096 1.00 0.00 C ATOM 682 CD1 LEU A 167 7.474 -4.377 1.190 1.00 0.00 C ATOM 683 CD2 LEU A 167 8.267 -5.458 -0.921 1.00 0.00 C ATOM 0 H LEU A 167 4.404 -6.618 0.358 1.00 0.00 H new ATOM 0 HA LEU A 167 6.549 -7.715 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 167 6.299 -6.627 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.813 -7.218 0.967 1.00 0.00 H new ATOM 0 HG LEU A 167 6.239 -5.040 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.668 -3.402 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.635 -4.299 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.360 -4.711 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.450 -4.468 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 167 9.172 -5.819 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.988 -6.144 -1.721 1.00 0.00 H new ATOM 695 N ALA A 168 5.855 -9.264 1.632 1.00 0.00 N ATOM 696 CA ALA A 168 5.882 -10.560 2.299 1.00 0.00 C ATOM 697 C ALA A 168 4.918 -11.538 1.636 1.00 0.00 C ATOM 698 O ALA A 168 3.825 -11.159 1.216 1.00 0.00 O ATOM 699 CB ALA A 168 5.542 -10.400 3.773 1.00 0.00 C ATOM 0 H ALA A 168 5.577 -8.487 2.232 1.00 0.00 H new ATOM 0 HA ALA A 168 6.889 -10.967 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.566 -11.375 4.260 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.271 -9.741 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.546 -9.969 3.872 1.00 0.00 H new ATOM 705 N GLY A 169 5.330 -12.798 1.545 1.00 0.00 N ATOM 706 CA GLY A 169 4.492 -13.810 0.931 1.00 0.00 C ATOM 707 C GLY A 169 5.203 -14.557 -0.181 1.00 0.00 C ATOM 708 O GLY A 169 5.177 -14.136 -1.337 1.00 0.00 O ATOM 0 H GLY A 169 6.230 -13.136 1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 169 4.169 -14.520 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 169 3.593 -13.340 0.532 1.00 0.00 H new ATOM 712 N GLY A 170 5.840 -15.669 0.171 1.00 0.00 N ATOM 713 CA GLY A 170 6.553 -16.460 -0.816 1.00 0.00 C ATOM 714 C GLY A 170 7.983 -16.748 -0.405 1.00 0.00 C ATOM 715 O GLY A 170 8.490 -17.838 -0.743 1.00 0.00 O ATOM 0 H GLY A 170 5.875 -16.037 1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 170 6.026 -17.402 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 170 6.552 -15.932 -1.770 1.00 0.00 H new ATOM 719 N ALA A 171 8.597 -15.883 0.254 1.00 0.00 N TER 720 ALA A 171