USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 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= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 132 MET CE :methyl -135:sc= -1.43 (180deg=-4.97!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 164:sc=-0.00321 (180deg=-0.312) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.3) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -0.095 2.840 14.402 1.00 0.00 N ATOM 2 CA ASN A 126 1.128 2.513 13.624 1.00 0.00 C ATOM 3 C ASN A 126 1.814 3.777 13.118 1.00 0.00 C ATOM 4 O ASN A 126 1.154 4.729 12.703 1.00 0.00 O ATOM 5 CB ASN A 126 0.733 1.619 12.447 1.00 0.00 C ATOM 6 CG ASN A 126 0.407 0.203 12.879 1.00 0.00 C ATOM 7 OD1 ASN A 126 1.215 -0.710 12.715 1.00 0.00 O ATOM 8 ND2 ASN A 126 -0.784 0.014 13.437 1.00 0.00 N ATOM 0 HA ASN A 126 1.835 1.993 14.271 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -0.131 2.050 11.942 1.00 0.00 H new ATOM 0 HB3 ASN A 126 1.547 1.596 11.723 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -1.059 -0.917 13.749 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -1.423 0.800 13.554 1.00 0.00 H new ATOM 17 N ARG A 127 3.142 3.780 13.155 1.00 0.00 N ATOM 18 CA ARG A 127 3.917 4.927 12.698 1.00 0.00 C ATOM 19 C ARG A 127 3.659 5.202 11.220 1.00 0.00 C ATOM 20 O ARG A 127 2.806 4.567 10.600 1.00 0.00 O ATOM 21 CB ARG A 127 5.411 4.688 12.934 1.00 0.00 C ATOM 22 CG ARG A 127 5.955 5.405 14.159 1.00 0.00 C ATOM 23 CD ARG A 127 6.295 6.855 13.849 1.00 0.00 C ATOM 24 NE ARG A 127 7.660 7.001 13.346 1.00 0.00 N ATOM 25 CZ ARG A 127 8.740 7.005 14.123 1.00 0.00 C ATOM 26 NH1 ARG A 127 8.621 6.870 15.438 1.00 0.00 N ATOM 27 NH2 ARG A 127 9.944 7.145 13.584 1.00 0.00 N ATOM 0 H ARG A 127 3.704 3.001 13.497 1.00 0.00 H new ATOM 0 HA ARG A 127 3.603 5.799 13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.587 3.618 13.042 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.966 5.015 12.055 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.219 5.366 14.962 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.846 4.890 14.518 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.593 7.242 13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.174 7.457 14.750 1.00 0.00 H new ATOM 0 HE ARG A 127 7.792 7.106 12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.698 6.762 15.858 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.453 6.874 16.028 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.042 7.250 12.574 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.772 7.148 14.179 1.00 0.00 H new ATOM 41 N ARG A 128 4.400 6.153 10.662 1.00 0.00 N ATOM 42 CA ARG A 128 4.250 6.513 9.257 1.00 0.00 C ATOM 43 C ARG A 128 4.834 5.431 8.353 1.00 0.00 C ATOM 44 O ARG A 128 5.690 4.652 8.774 1.00 0.00 O ATOM 45 CB ARG A 128 4.932 7.852 8.975 1.00 0.00 C ATOM 46 CG ARG A 128 4.106 9.055 9.399 1.00 0.00 C ATOM 47 CD ARG A 128 4.986 10.181 9.917 1.00 0.00 C ATOM 48 NE ARG A 128 4.290 11.466 9.914 1.00 0.00 N ATOM 49 CZ ARG A 128 4.118 12.213 8.826 1.00 0.00 C ATOM 50 NH1 ARG A 128 4.588 11.808 7.652 1.00 0.00 N ATOM 51 NH2 ARG A 128 3.472 13.368 8.910 1.00 0.00 N ATOM 0 H ARG A 128 5.110 6.688 11.161 1.00 0.00 H new ATOM 0 HA ARG A 128 3.185 6.605 9.044 1.00 0.00 H new ATOM 0 HB2 ARG A 128 5.890 7.879 9.493 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.144 7.925 7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 128 3.519 9.411 8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.400 8.758 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.313 9.948 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 128 5.883 10.253 9.301 1.00 0.00 H new ATOM 0 HE ARG A 128 3.914 11.811 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.084 10.920 7.580 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.453 12.385 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 128 3.107 13.684 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.340 13.940 8.076 1.00 0.00 H new ATOM 65 N VAL A 129 4.366 5.389 7.111 1.00 0.00 N ATOM 66 CA VAL A 129 4.841 4.404 6.148 1.00 0.00 C ATOM 67 C VAL A 129 5.191 5.060 4.817 1.00 0.00 C ATOM 68 O VAL A 129 4.719 6.156 4.511 1.00 0.00 O ATOM 69 CB VAL A 129 3.790 3.304 5.904 1.00 0.00 C ATOM 70 CG1 VAL A 129 4.362 2.198 5.030 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.290 2.742 7.226 1.00 0.00 C ATOM 0 H VAL A 129 3.657 6.026 6.747 1.00 0.00 H new ATOM 0 HA VAL A 129 5.737 3.953 6.574 1.00 0.00 H new ATOM 0 HB VAL A 129 2.944 3.748 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.604 1.432 4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.666 2.614 4.069 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.227 1.755 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.548 1.966 7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.126 2.315 7.780 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.836 3.541 7.813 1.00 0.00 H new ATOM 81 N ILE A 130 6.023 4.386 4.032 1.00 0.00 N ATOM 82 CA ILE A 130 6.440 4.903 2.733 1.00 0.00 C ATOM 83 C ILE A 130 5.574 4.338 1.612 1.00 0.00 C ATOM 84 O ILE A 130 5.464 3.124 1.451 1.00 0.00 O ATOM 85 CB ILE A 130 7.916 4.569 2.446 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.797 4.993 3.622 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.374 5.244 1.162 1.00 0.00 C ATOM 88 CD1 ILE A 130 8.767 6.481 3.893 1.00 0.00 C ATOM 0 H ILE A 130 6.423 3.479 4.272 1.00 0.00 H new ATOM 0 HA ILE A 130 6.320 5.986 2.769 1.00 0.00 H new ATOM 0 HB ILE A 130 8.009 3.491 2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 130 8.474 4.462 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.825 4.688 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.419 4.998 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.763 4.895 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.268 6.324 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.414 6.710 4.740 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.118 7.018 3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.747 6.789 4.123 1.00 0.00 H new ATOM 100 N ALA A 131 4.963 5.227 0.837 1.00 0.00 N ATOM 101 CA ALA A 131 4.112 4.815 -0.272 1.00 0.00 C ATOM 102 C ALA A 131 3.729 6.007 -1.142 1.00 0.00 C ATOM 103 O ALA A 131 3.764 7.152 -0.694 1.00 0.00 O ATOM 104 CB ALA A 131 2.867 4.114 0.248 1.00 0.00 C ATOM 0 H ALA A 131 5.041 6.237 0.956 1.00 0.00 H new ATOM 0 HA ALA A 131 4.676 4.115 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.242 3.812 -0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.158 3.232 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.308 4.794 0.891 1.00 0.00 H new ATOM 110 N MET A 132 3.360 5.728 -2.387 1.00 0.00 N ATOM 111 CA MET A 132 2.965 6.777 -3.320 1.00 0.00 C ATOM 112 C MET A 132 1.495 7.143 -3.132 1.00 0.00 C ATOM 113 O MET A 132 0.729 6.381 -2.542 1.00 0.00 O ATOM 114 CB MET A 132 3.212 6.326 -4.762 1.00 0.00 C ATOM 115 CG MET A 132 4.614 6.634 -5.263 1.00 0.00 C ATOM 116 SD MET A 132 4.635 7.917 -6.530 1.00 0.00 S ATOM 117 CE MET A 132 4.955 9.371 -5.534 1.00 0.00 C ATOM 0 H MET A 132 3.326 4.785 -2.774 1.00 0.00 H new ATOM 0 HA MET A 132 3.571 7.660 -3.116 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.037 5.252 -4.833 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.487 6.811 -5.415 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.234 6.948 -4.424 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.059 5.724 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 132 4.289 10.177 -5.842 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.781 9.138 -4.484 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.990 9.684 -5.669 1.00 0.00 H new ATOM 127 N PRO A 133 1.079 8.318 -3.635 1.00 0.00 N ATOM 128 CA PRO A 133 -0.308 8.778 -3.520 1.00 0.00 C ATOM 129 C PRO A 133 -1.286 7.828 -4.201 1.00 0.00 C ATOM 130 O PRO A 133 -2.444 7.718 -3.798 1.00 0.00 O ATOM 131 CB PRO A 133 -0.304 10.141 -4.222 1.00 0.00 C ATOM 132 CG PRO A 133 0.917 10.135 -5.078 1.00 0.00 C ATOM 133 CD PRO A 133 1.922 9.285 -4.356 1.00 0.00 C ATOM 0 HA PRO A 133 -0.633 8.829 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.204 10.278 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.274 10.956 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.699 9.729 -6.066 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.295 11.147 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.603 8.790 -5.048 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.534 9.875 -3.674 1.00 0.00 H new ATOM 141 N SER A 134 -0.811 7.140 -5.234 1.00 0.00 N ATOM 142 CA SER A 134 -1.643 6.195 -5.967 1.00 0.00 C ATOM 143 C SER A 134 -1.993 4.996 -5.091 1.00 0.00 C ATOM 144 O SER A 134 -3.103 4.468 -5.157 1.00 0.00 O ATOM 145 CB SER A 134 -0.926 5.724 -7.234 1.00 0.00 C ATOM 146 OG SER A 134 0.216 4.947 -6.915 1.00 0.00 O ATOM 0 H SER A 134 0.145 7.220 -5.582 1.00 0.00 H new ATOM 0 HA SER A 134 -2.565 6.702 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.610 5.136 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.628 6.587 -7.829 1.00 0.00 H new ATOM 0 HG SER A 134 0.655 4.657 -7.741 1.00 0.00 H new ATOM 152 N VAL A 135 -1.038 4.575 -4.270 1.00 0.00 N ATOM 153 CA VAL A 135 -1.242 3.441 -3.378 1.00 0.00 C ATOM 154 C VAL A 135 -2.132 3.827 -2.205 1.00 0.00 C ATOM 155 O VAL A 135 -3.087 3.121 -1.880 1.00 0.00 O ATOM 156 CB VAL A 135 0.098 2.895 -2.851 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.122 1.693 -1.941 1.00 0.00 C ATOM 158 CG2 VAL A 135 1.004 2.529 -4.013 1.00 0.00 C ATOM 0 H VAL A 135 -0.114 5.003 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.733 2.659 -3.956 1.00 0.00 H new ATOM 0 HB VAL A 135 0.580 3.675 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.840 1.327 -1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.737 1.988 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.626 0.903 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.949 2.144 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.522 1.766 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.192 3.414 -4.620 1.00 0.00 H new ATOM 168 N ARG A 136 -1.823 4.955 -1.580 1.00 0.00 N ATOM 169 CA ARG A 136 -2.610 5.435 -0.452 1.00 0.00 C ATOM 170 C ARG A 136 -4.051 5.655 -0.886 1.00 0.00 C ATOM 171 O ARG A 136 -4.991 5.271 -0.189 1.00 0.00 O ATOM 172 CB ARG A 136 -2.022 6.732 0.103 1.00 0.00 C ATOM 173 CG ARG A 136 -0.915 6.508 1.119 1.00 0.00 C ATOM 174 CD ARG A 136 -1.310 7.000 2.505 1.00 0.00 C ATOM 175 NE ARG A 136 -0.541 8.177 2.904 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.349 8.546 4.168 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.874 7.841 5.162 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.370 9.626 4.439 1.00 0.00 N ATOM 0 H ARG A 136 -1.036 5.553 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.585 4.683 0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.632 7.328 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.818 7.314 0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.674 5.446 1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.013 7.026 0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.373 7.240 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.156 6.202 3.231 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.126 8.750 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.429 7.010 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.722 8.130 6.128 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.775 10.173 3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.518 9.910 5.407 1.00 0.00 H new ATOM 192 N LYS A 137 -4.213 6.259 -2.057 1.00 0.00 N ATOM 193 CA LYS A 137 -5.534 6.512 -2.607 1.00 0.00 C ATOM 194 C LYS A 137 -6.231 5.185 -2.891 1.00 0.00 C ATOM 195 O LYS A 137 -7.423 5.025 -2.623 1.00 0.00 O ATOM 196 CB LYS A 137 -5.425 7.349 -3.887 1.00 0.00 C ATOM 197 CG LYS A 137 -6.627 7.228 -4.812 1.00 0.00 C ATOM 198 CD LYS A 137 -6.549 8.221 -5.961 1.00 0.00 C ATOM 199 CE LYS A 137 -6.035 7.563 -7.232 1.00 0.00 C ATOM 200 NZ LYS A 137 -6.232 8.432 -8.425 1.00 0.00 N ATOM 0 H LYS A 137 -3.443 6.582 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.124 7.074 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.294 8.396 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.530 7.047 -4.431 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.681 6.214 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.542 7.398 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -7.536 8.646 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.892 9.046 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -4.975 7.335 -7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -6.551 6.615 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -5.869 7.948 -9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -7.246 8.629 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -5.719 9.327 -8.291 1.00 0.00 H new ATOM 214 N TRP A 138 -5.471 4.233 -3.424 1.00 0.00 N ATOM 215 CA TRP A 138 -6.001 2.913 -3.732 1.00 0.00 C ATOM 216 C TRP A 138 -6.502 2.240 -2.460 1.00 0.00 C ATOM 217 O TRP A 138 -7.632 1.754 -2.400 1.00 0.00 O ATOM 218 CB TRP A 138 -4.916 2.067 -4.405 1.00 0.00 C ATOM 219 CG TRP A 138 -5.253 0.613 -4.505 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.641 -0.412 -3.846 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.276 0.022 -5.312 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.221 -1.609 -4.196 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.228 -1.368 -5.094 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.229 0.533 -6.197 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.097 -2.252 -5.730 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.090 -0.344 -6.827 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.020 -1.723 -6.591 1.00 0.00 C ATOM 0 H TRP A 138 -4.484 4.354 -3.651 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.842 3.011 -4.418 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.735 2.457 -5.406 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -3.986 2.176 -3.847 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.822 -0.300 -3.151 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.947 -2.526 -3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.291 1.595 -6.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.044 -3.316 -5.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -8.830 0.040 -7.513 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.708 -2.382 -7.099 1.00 0.00 H new ATOM 238 N ALA A 139 -5.656 2.232 -1.438 1.00 0.00 N ATOM 239 CA ALA A 139 -6.008 1.642 -0.159 1.00 0.00 C ATOM 240 C ALA A 139 -7.207 2.366 0.441 1.00 0.00 C ATOM 241 O ALA A 139 -8.163 1.739 0.890 1.00 0.00 O ATOM 242 CB ALA A 139 -4.820 1.694 0.788 1.00 0.00 C ATOM 0 H ALA A 139 -4.718 2.630 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.278 0.597 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.097 1.249 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.987 1.139 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.524 2.731 0.943 1.00 0.00 H new ATOM 248 N ARG A 140 -7.150 3.693 0.432 1.00 0.00 N ATOM 249 CA ARG A 140 -8.235 4.508 0.966 1.00 0.00 C ATOM 250 C ARG A 140 -9.548 4.194 0.256 1.00 0.00 C ATOM 251 O ARG A 140 -10.624 4.306 0.844 1.00 0.00 O ATOM 252 CB ARG A 140 -7.901 5.996 0.818 1.00 0.00 C ATOM 253 CG ARG A 140 -8.988 6.921 1.343 1.00 0.00 C ATOM 254 CD ARG A 140 -9.206 8.107 0.418 1.00 0.00 C ATOM 255 NE ARG A 140 -10.226 9.020 0.930 1.00 0.00 N ATOM 256 CZ ARG A 140 -10.424 10.249 0.458 1.00 0.00 C ATOM 257 NH1 ARG A 140 -9.676 10.716 -0.534 1.00 0.00 N ATOM 258 NH2 ARG A 140 -11.374 11.014 0.979 1.00 0.00 N ATOM 0 H ARG A 140 -6.364 4.227 0.061 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.350 4.273 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -6.971 6.205 1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -7.725 6.217 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -9.920 6.365 1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -8.715 7.278 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.267 8.646 0.292 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.502 7.748 -0.568 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.821 8.697 1.693 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.944 10.132 -0.939 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.833 11.659 -0.891 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.953 10.661 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.526 11.956 0.618 1.00 0.00 H new ATOM 272 N GLU A 141 -9.452 3.801 -1.011 1.00 0.00 N ATOM 273 CA GLU A 141 -10.634 3.470 -1.797 1.00 0.00 C ATOM 274 C GLU A 141 -11.196 2.112 -1.388 1.00 0.00 C ATOM 275 O GLU A 141 -12.412 1.932 -1.305 1.00 0.00 O ATOM 276 CB GLU A 141 -10.295 3.467 -3.289 1.00 0.00 C ATOM 277 CG GLU A 141 -10.238 4.856 -3.903 1.00 0.00 C ATOM 278 CD GLU A 141 -11.527 5.238 -4.602 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.849 4.615 -5.636 1.00 0.00 O ATOM 280 OE2 GLU A 141 -12.216 6.160 -4.116 1.00 0.00 O ATOM 0 H GLU A 141 -8.570 3.704 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.392 4.229 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.333 2.975 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.039 2.874 -3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -10.022 5.586 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.415 4.900 -4.617 1.00 0.00 H new ATOM 287 N LYS A 142 -10.305 1.159 -1.137 1.00 0.00 N ATOM 288 CA LYS A 142 -10.713 -0.185 -0.740 1.00 0.00 C ATOM 289 C LYS A 142 -10.910 -0.290 0.774 1.00 0.00 C ATOM 290 O LYS A 142 -11.338 -1.329 1.279 1.00 0.00 O ATOM 291 CB LYS A 142 -9.675 -1.210 -1.201 1.00 0.00 C ATOM 292 CG LYS A 142 -9.972 -1.806 -2.567 1.00 0.00 C ATOM 293 CD LYS A 142 -9.829 -0.770 -3.672 1.00 0.00 C ATOM 294 CE LYS A 142 -10.991 -0.833 -4.650 1.00 0.00 C ATOM 295 NZ LYS A 142 -11.417 0.522 -5.095 1.00 0.00 N ATOM 0 H LYS A 142 -9.296 1.292 -1.201 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.669 -0.395 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.694 -0.735 -1.227 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.620 -2.014 -0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.294 -2.638 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.984 -2.211 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -9.775 0.226 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -8.893 -0.934 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -10.703 -1.426 -5.518 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -11.833 -1.342 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -12.010 0.438 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.961 0.981 -4.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.577 1.095 -5.314 1.00 0.00 H new ATOM 309 N GLY A 143 -10.595 0.783 1.495 1.00 0.00 N ATOM 310 CA GLY A 143 -10.745 0.774 2.940 1.00 0.00 C ATOM 311 C GLY A 143 -9.450 0.443 3.661 1.00 0.00 C ATOM 312 O GLY A 143 -9.366 0.565 4.884 1.00 0.00 O ATOM 0 H GLY A 143 -10.240 1.656 1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.101 1.750 3.270 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.507 0.046 3.218 1.00 0.00 H new ATOM 316 N VAL A 144 -8.439 0.026 2.904 1.00 0.00 N ATOM 317 CA VAL A 144 -7.144 -0.322 3.474 1.00 0.00 C ATOM 318 C VAL A 144 -6.309 0.923 3.752 1.00 0.00 C ATOM 319 O VAL A 144 -6.365 1.900 3.007 1.00 0.00 O ATOM 320 CB VAL A 144 -6.347 -1.250 2.541 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.106 -1.774 3.248 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.217 -2.398 2.057 1.00 0.00 C ATOM 0 H VAL A 144 -8.494 -0.079 1.891 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.347 -0.841 4.410 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.029 -0.676 1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.553 -2.429 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.473 -0.936 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.402 -2.333 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.635 -3.043 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.567 -2.975 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.073 -2.001 1.512 1.00 0.00 H new ATOM 332 N ASP A 145 -5.528 0.876 4.825 1.00 0.00 N ATOM 333 CA ASP A 145 -4.670 1.994 5.198 1.00 0.00 C ATOM 334 C ASP A 145 -3.203 1.626 5.006 1.00 0.00 C ATOM 335 O ASP A 145 -2.753 0.573 5.453 1.00 0.00 O ATOM 336 CB ASP A 145 -4.924 2.397 6.652 1.00 0.00 C ATOM 337 CG ASP A 145 -4.441 3.801 6.955 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.275 4.111 6.630 1.00 0.00 O ATOM 339 OD2 ASP A 145 -5.228 4.591 7.517 1.00 0.00 O ATOM 0 H ASP A 145 -5.471 0.074 5.453 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.906 2.840 4.552 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.991 2.329 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.422 1.692 7.315 1.00 0.00 H new ATOM 344 N ILE A 146 -2.456 2.493 4.335 1.00 0.00 N ATOM 345 CA ILE A 146 -1.041 2.240 4.090 1.00 0.00 C ATOM 346 C ILE A 146 -0.286 2.016 5.401 1.00 0.00 C ATOM 347 O ILE A 146 0.724 1.314 5.436 1.00 0.00 O ATOM 348 CB ILE A 146 -0.394 3.397 3.294 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.642 2.847 2.315 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.240 4.428 4.223 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.064 2.494 0.961 1.00 0.00 C ATOM 0 H ILE A 146 -2.803 3.373 3.952 1.00 0.00 H new ATOM 0 HA ILE A 146 -0.973 1.331 3.492 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.180 3.901 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.433 3.585 2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.104 1.959 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.685 5.227 3.630 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.524 4.845 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 146 1.012 3.949 4.825 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.855 2.110 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.707 1.733 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.372 3.384 0.508 1.00 0.00 H new ATOM 363 N ARG A 147 -0.783 2.628 6.470 1.00 0.00 N ATOM 364 CA ARG A 147 -0.162 2.509 7.785 1.00 0.00 C ATOM 365 C ARG A 147 -0.102 1.056 8.260 1.00 0.00 C ATOM 366 O ARG A 147 0.675 0.725 9.157 1.00 0.00 O ATOM 367 CB ARG A 147 -0.926 3.354 8.805 1.00 0.00 C ATOM 368 CG ARG A 147 -0.783 4.851 8.584 1.00 0.00 C ATOM 369 CD ARG A 147 -0.766 5.608 9.902 1.00 0.00 C ATOM 370 NE ARG A 147 -0.742 7.055 9.702 1.00 0.00 N ATOM 371 CZ ARG A 147 -1.816 7.779 9.399 1.00 0.00 C ATOM 372 NH1 ARG A 147 -3.000 7.197 9.255 1.00 0.00 N ATOM 373 NH2 ARG A 147 -1.707 9.092 9.237 1.00 0.00 N ATOM 0 H ARG A 147 -1.618 3.214 6.452 1.00 0.00 H new ATOM 0 HA ARG A 147 0.861 2.874 7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.982 3.089 8.766 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.572 3.108 9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.137 5.053 8.035 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -1.607 5.210 7.968 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -1.645 5.337 10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.107 5.308 10.481 1.00 0.00 H new ATOM 0 HE ARG A 147 0.151 7.538 9.800 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -3.091 6.188 9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -3.819 7.758 9.023 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.800 9.546 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.530 9.647 9.005 1.00 0.00 H new ATOM 387 N LEU A 148 -0.921 0.189 7.666 1.00 0.00 N ATOM 388 CA LEU A 148 -0.939 -1.221 8.052 1.00 0.00 C ATOM 389 C LEU A 148 -0.461 -2.115 6.914 1.00 0.00 C ATOM 390 O LEU A 148 -0.848 -3.279 6.827 1.00 0.00 O ATOM 391 CB LEU A 148 -2.343 -1.652 8.488 1.00 0.00 C ATOM 392 CG LEU A 148 -3.488 -1.051 7.675 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.698 -1.832 6.387 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.769 -1.029 8.491 1.00 0.00 C ATOM 0 H LEU A 148 -1.575 0.435 6.923 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.255 -1.333 8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.407 -2.738 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.480 -1.381 9.535 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.222 -0.025 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.518 -1.388 5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.787 -1.800 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.940 -2.868 6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.573 -0.597 7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -5.036 -2.046 8.777 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.619 -0.427 9.387 1.00 0.00 H new ATOM 406 N VAL A 149 0.380 -1.570 6.042 1.00 0.00 N ATOM 407 CA VAL A 149 0.898 -2.333 4.914 1.00 0.00 C ATOM 408 C VAL A 149 2.419 -2.245 4.836 1.00 0.00 C ATOM 409 O VAL A 149 2.982 -1.171 4.626 1.00 0.00 O ATOM 410 CB VAL A 149 0.291 -1.849 3.583 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.730 -2.747 2.439 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.228 -1.800 3.674 1.00 0.00 C ATOM 0 H VAL A 149 0.716 -0.608 6.094 1.00 0.00 H new ATOM 0 HA VAL A 149 0.611 -3.372 5.077 1.00 0.00 H new ATOM 0 HB VAL A 149 0.655 -0.840 3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.292 -2.390 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.817 -2.729 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.397 -3.767 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.638 -1.456 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.612 -2.796 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.523 -1.113 4.467 1.00 0.00 H new ATOM 422 N GLN A 150 3.079 -3.385 5.007 1.00 0.00 N ATOM 423 CA GLN A 150 4.535 -3.442 4.956 1.00 0.00 C ATOM 424 C GLN A 150 5.029 -3.469 3.512 1.00 0.00 C ATOM 425 O GLN A 150 5.469 -4.505 3.015 1.00 0.00 O ATOM 426 CB GLN A 150 5.044 -4.674 5.706 1.00 0.00 C ATOM 427 CG GLN A 150 4.543 -5.989 5.129 1.00 0.00 C ATOM 428 CD GLN A 150 3.818 -6.839 6.154 1.00 0.00 C ATOM 429 OE1 GLN A 150 2.605 -7.031 6.071 1.00 0.00 O ATOM 430 NE2 GLN A 150 4.559 -7.355 7.127 1.00 0.00 N ATOM 0 H GLN A 150 2.628 -4.283 5.182 1.00 0.00 H new ATOM 0 HA GLN A 150 4.926 -2.546 5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 150 6.134 -4.673 5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.738 -4.605 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 150 3.873 -5.783 4.294 1.00 0.00 H new ATOM 0 HG3 GLN A 150 5.387 -6.551 4.729 1.00 0.00 H new ATOM 0 HE21 GLN A 150 5.562 -7.170 7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 150 4.126 -7.937 7.844 1.00 0.00 H new ATOM 439 N GLY A 151 4.952 -2.322 2.844 1.00 0.00 N ATOM 440 CA GLY A 151 5.394 -2.234 1.462 1.00 0.00 C ATOM 441 C GLY A 151 6.801 -2.765 1.262 1.00 0.00 C ATOM 442 O GLY A 151 7.668 -2.581 2.117 1.00 0.00 O ATOM 0 H GLY A 151 4.592 -1.451 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.706 -2.793 0.828 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.353 -1.194 1.137 1.00 0.00 H new ATOM 446 N THR A 152 7.028 -3.429 0.132 1.00 0.00 N ATOM 447 CA THR A 152 8.339 -3.991 -0.176 1.00 0.00 C ATOM 448 C THR A 152 8.925 -3.363 -1.438 1.00 0.00 C ATOM 449 O THR A 152 9.738 -3.980 -2.127 1.00 0.00 O ATOM 450 CB THR A 152 8.237 -5.507 -0.350 1.00 0.00 C ATOM 451 OG1 THR A 152 7.138 -5.844 -1.177 1.00 0.00 O ATOM 452 CG2 THR A 152 8.072 -6.250 0.958 1.00 0.00 C ATOM 0 H THR A 152 6.321 -3.591 -0.585 1.00 0.00 H new ATOM 0 HA THR A 152 9.004 -3.768 0.658 1.00 0.00 H new ATOM 0 HB THR A 152 9.181 -5.809 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.091 -6.818 -1.277 1.00 0.00 H new ATOM 0 HG21 THR A 152 8.006 -7.320 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.930 -6.051 1.600 1.00 0.00 H new ATOM 0 HG23 THR A 152 7.161 -5.915 1.454 1.00 0.00 H new ATOM 460 N GLY A 153 8.509 -2.136 -1.737 1.00 0.00 N ATOM 461 CA GLY A 153 9.007 -1.454 -2.918 1.00 0.00 C ATOM 462 C GLY A 153 10.396 -0.880 -2.719 1.00 0.00 C ATOM 463 O GLY A 153 10.555 0.180 -2.113 1.00 0.00 O ATOM 0 H GLY A 153 7.838 -1.603 -1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.023 -2.151 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.321 -0.650 -3.185 1.00 0.00 H new ATOM 467 N LYS A 154 11.404 -1.583 -3.231 1.00 0.00 N ATOM 468 CA LYS A 154 12.790 -1.141 -3.110 1.00 0.00 C ATOM 469 C LYS A 154 13.176 -0.934 -1.644 1.00 0.00 C ATOM 470 O LYS A 154 13.720 -1.836 -1.006 1.00 0.00 O ATOM 471 CB LYS A 154 13.008 0.149 -3.911 1.00 0.00 C ATOM 472 CG LYS A 154 14.406 0.729 -3.769 1.00 0.00 C ATOM 473 CD LYS A 154 15.424 -0.065 -4.573 1.00 0.00 C ATOM 474 CE LYS A 154 15.556 0.469 -5.991 1.00 0.00 C ATOM 475 NZ LYS A 154 15.435 -0.613 -7.005 1.00 0.00 N ATOM 0 H LYS A 154 11.286 -2.462 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 154 13.433 -1.921 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.813 -0.051 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 154 12.281 0.894 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.406 1.766 -4.103 1.00 0.00 H new ATOM 0 HG3 LYS A 154 14.694 0.733 -2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 154 16.393 -0.024 -4.076 1.00 0.00 H new ATOM 0 HD3 LYS A 154 15.126 -1.113 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.787 1.221 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 154 16.520 0.966 -6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.531 -0.208 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 16.184 -1.318 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 14.505 -1.071 -6.915 1.00 0.00 H new ATOM 489 N ASN A 155 12.889 0.252 -1.112 1.00 0.00 N ATOM 490 CA ASN A 155 13.205 0.563 0.277 1.00 0.00 C ATOM 491 C ASN A 155 12.112 0.057 1.217 1.00 0.00 C ATOM 492 O ASN A 155 12.240 0.152 2.438 1.00 0.00 O ATOM 493 CB ASN A 155 13.386 2.071 0.454 1.00 0.00 C ATOM 494 CG ASN A 155 12.141 2.851 0.077 1.00 0.00 C ATOM 495 OD1 ASN A 155 11.211 2.983 0.874 1.00 0.00 O ATOM 496 ND2 ASN A 155 12.116 3.371 -1.145 1.00 0.00 N ATOM 0 H ASN A 155 12.439 1.012 -1.622 1.00 0.00 H new ATOM 0 HA ASN A 155 14.137 0.057 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.645 2.284 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.222 2.408 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 155 11.304 3.904 -1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 155 12.909 3.237 -1.773 1.00 0.00 H new ATOM 503 N GLY A 156 11.035 -0.477 0.645 1.00 0.00 N ATOM 504 CA GLY A 156 9.941 -0.983 1.451 1.00 0.00 C ATOM 505 C GLY A 156 8.689 -0.138 1.324 1.00 0.00 C ATOM 506 O GLY A 156 7.862 -0.103 2.236 1.00 0.00 O ATOM 0 H GLY A 156 10.902 -0.567 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.717 -2.007 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.249 -1.016 2.496 1.00 0.00 H new ATOM 510 N ARG A 157 8.548 0.548 0.194 1.00 0.00 N ATOM 511 CA ARG A 157 7.386 1.397 -0.041 1.00 0.00 C ATOM 512 C ARG A 157 6.199 0.574 -0.534 1.00 0.00 C ATOM 513 O ARG A 157 6.344 -0.281 -1.407 1.00 0.00 O ATOM 514 CB ARG A 157 7.722 2.500 -1.050 1.00 0.00 C ATOM 515 CG ARG A 157 7.878 2.003 -2.480 1.00 0.00 C ATOM 516 CD ARG A 157 7.956 3.158 -3.465 1.00 0.00 C ATOM 517 NE ARG A 157 8.265 2.704 -4.819 1.00 0.00 N ATOM 518 CZ ARG A 157 9.492 2.401 -5.237 1.00 0.00 C ATOM 519 NH1 ARG A 157 10.526 2.500 -4.412 1.00 0.00 N ATOM 520 NH2 ARG A 157 9.684 1.996 -6.485 1.00 0.00 N ATOM 0 H ARG A 157 9.222 0.533 -0.571 1.00 0.00 H new ATOM 0 HA ARG A 157 7.111 1.861 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 157 6.937 3.255 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 157 8.646 2.990 -0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 157 8.779 1.395 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 157 7.036 1.360 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.007 3.694 -3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 157 8.719 3.864 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 157 7.496 2.614 -5.483 1.00 0.00 H new ATOM 0 HH11 ARG A 157 10.384 2.810 -3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 157 11.463 2.266 -4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 157 8.892 1.917 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 157 10.624 1.763 -6.807 1.00 0.00 H new ATOM 534 N VAL A 158 5.026 0.837 0.035 1.00 0.00 N ATOM 535 CA VAL A 158 3.815 0.121 -0.344 1.00 0.00 C ATOM 536 C VAL A 158 3.369 0.494 -1.754 1.00 0.00 C ATOM 537 O VAL A 158 3.071 1.654 -2.035 1.00 0.00 O ATOM 538 CB VAL A 158 2.662 0.410 0.636 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.485 -0.512 0.360 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.133 0.271 2.077 1.00 0.00 C ATOM 0 H VAL A 158 4.890 1.541 0.760 1.00 0.00 H new ATOM 0 HA VAL A 158 4.056 -0.941 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 158 2.333 1.438 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.680 -0.294 1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.131 -0.355 -0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.799 -1.549 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.303 0.479 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.493 -0.744 2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 158 3.941 0.978 2.266 1.00 0.00 H new ATOM 550 N LEU A 159 3.321 -0.499 -2.635 1.00 0.00 N ATOM 551 CA LEU A 159 2.906 -0.278 -4.016 1.00 0.00 C ATOM 552 C LEU A 159 1.564 -0.951 -4.288 1.00 0.00 C ATOM 553 O LEU A 159 1.011 -1.625 -3.418 1.00 0.00 O ATOM 554 CB LEU A 159 3.960 -0.817 -4.986 1.00 0.00 C ATOM 555 CG LEU A 159 5.413 -0.602 -4.557 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.297 -1.718 -5.093 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.914 0.753 -5.034 1.00 0.00 C ATOM 0 H LEU A 159 3.564 -1.465 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 159 2.800 0.796 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.793 -1.885 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.811 -0.345 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 159 5.458 -0.621 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.327 -1.549 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.951 -2.675 -4.703 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.248 -1.730 -6.182 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.949 0.889 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.855 0.800 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.297 1.541 -4.603 1.00 0.00 H new ATOM 569 N LYS A 160 1.046 -0.770 -5.499 1.00 0.00 N ATOM 570 CA LYS A 160 -0.230 -1.367 -5.880 1.00 0.00 C ATOM 571 C LYS A 160 -0.209 -2.874 -5.645 1.00 0.00 C ATOM 572 O LYS A 160 -1.220 -3.469 -5.270 1.00 0.00 O ATOM 573 CB LYS A 160 -0.542 -1.069 -7.348 1.00 0.00 C ATOM 574 CG LYS A 160 -1.856 -1.670 -7.824 1.00 0.00 C ATOM 575 CD LYS A 160 -2.569 -0.750 -8.802 1.00 0.00 C ATOM 576 CE LYS A 160 -2.263 -1.126 -10.243 1.00 0.00 C ATOM 577 NZ LYS A 160 -3.416 -0.850 -11.145 1.00 0.00 N ATOM 0 H LYS A 160 1.489 -0.216 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.011 -0.929 -5.259 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.572 0.011 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.269 -1.451 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.666 -2.632 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.501 -1.861 -6.967 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.645 -0.800 -8.632 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.265 0.281 -8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -1.392 -0.569 -10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.006 -2.184 -10.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.168 -1.120 -12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.241 -1.401 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -3.646 0.164 -11.115 1.00 0.00 H new ATOM 591 N GLU A 161 0.952 -3.483 -5.865 1.00 0.00 N ATOM 592 CA GLU A 161 1.110 -4.918 -5.672 1.00 0.00 C ATOM 593 C GLU A 161 1.032 -5.274 -4.192 1.00 0.00 C ATOM 594 O GLU A 161 0.551 -6.347 -3.824 1.00 0.00 O ATOM 595 CB GLU A 161 2.447 -5.388 -6.252 1.00 0.00 C ATOM 596 CG GLU A 161 2.476 -5.409 -7.771 1.00 0.00 C ATOM 597 CD GLU A 161 2.126 -6.769 -8.343 1.00 0.00 C ATOM 598 OE1 GLU A 161 2.566 -7.786 -7.767 1.00 0.00 O ATOM 599 OE2 GLU A 161 1.411 -6.816 -9.365 1.00 0.00 O ATOM 0 H GLU A 161 1.797 -3.004 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 161 0.298 -5.424 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.241 -4.734 -5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.664 -6.389 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 161 1.776 -4.667 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 161 3.468 -5.119 -8.116 1.00 0.00 H new ATOM 606 N ASP A 162 1.502 -4.363 -3.345 1.00 0.00 N ATOM 607 CA ASP A 162 1.481 -4.578 -1.904 1.00 0.00 C ATOM 608 C ASP A 162 0.050 -4.564 -1.380 1.00 0.00 C ATOM 609 O ASP A 162 -0.366 -5.472 -0.659 1.00 0.00 O ATOM 610 CB ASP A 162 2.309 -3.506 -1.193 1.00 0.00 C ATOM 611 CG ASP A 162 3.799 -3.771 -1.285 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.199 -4.952 -1.203 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.567 -2.800 -1.441 1.00 0.00 O ATOM 0 H ASP A 162 1.902 -3.470 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 162 1.918 -5.555 -1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.088 -2.532 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.015 -3.460 -0.144 1.00 0.00 H new ATOM 618 N ILE A 163 -0.703 -3.534 -1.753 1.00 0.00 N ATOM 619 CA ILE A 163 -2.090 -3.413 -1.325 1.00 0.00 C ATOM 620 C ILE A 163 -2.905 -4.608 -1.808 1.00 0.00 C ATOM 621 O ILE A 163 -3.667 -5.205 -1.044 1.00 0.00 O ATOM 622 CB ILE A 163 -2.733 -2.112 -1.847 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.886 -0.904 -1.445 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.151 -1.970 -1.313 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.744 -0.736 0.052 1.00 0.00 C ATOM 0 H ILE A 163 -0.376 -2.774 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.091 -3.386 -0.235 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.778 -2.157 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.895 -1.003 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.333 -0.002 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.591 -1.047 -1.690 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.750 -2.819 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.128 -1.942 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.131 0.140 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.730 -0.605 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.269 -1.622 0.474 1.00 0.00 H new ATOM 637 N ASP A 164 -2.731 -4.961 -3.078 1.00 0.00 N ATOM 638 CA ASP A 164 -3.441 -6.094 -3.657 1.00 0.00 C ATOM 639 C ASP A 164 -3.105 -7.371 -2.896 1.00 0.00 C ATOM 640 O ASP A 164 -3.974 -8.206 -2.644 1.00 0.00 O ATOM 641 CB ASP A 164 -3.080 -6.251 -5.137 1.00 0.00 C ATOM 642 CG ASP A 164 -4.306 -6.346 -6.024 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.885 -7.448 -6.119 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.688 -5.318 -6.621 1.00 0.00 O ATOM 0 H ASP A 164 -2.106 -4.479 -3.724 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.512 -5.909 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.472 -5.403 -5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.471 -7.146 -5.267 1.00 0.00 H new ATOM 649 N ALA A 165 -1.837 -7.506 -2.519 1.00 0.00 N ATOM 650 CA ALA A 165 -1.383 -8.669 -1.771 1.00 0.00 C ATOM 651 C ALA A 165 -1.919 -8.624 -0.348 1.00 0.00 C ATOM 652 O ALA A 165 -2.226 -9.657 0.248 1.00 0.00 O ATOM 653 CB ALA A 165 0.137 -8.738 -1.767 1.00 0.00 C ATOM 0 H ALA A 165 -1.107 -6.823 -2.720 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.766 -9.566 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.460 -9.613 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.501 -8.812 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.541 -7.838 -1.303 1.00 0.00 H new ATOM 659 N PHE A 166 -2.039 -7.412 0.188 1.00 0.00 N ATOM 660 CA PHE A 166 -2.551 -7.216 1.536 1.00 0.00 C ATOM 661 C PHE A 166 -3.957 -7.795 1.660 1.00 0.00 C ATOM 662 O PHE A 166 -4.254 -8.547 2.589 1.00 0.00 O ATOM 663 CB PHE A 166 -2.561 -5.724 1.881 1.00 0.00 C ATOM 664 CG PHE A 166 -3.225 -5.406 3.190 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.606 -5.328 3.279 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.469 -5.184 4.328 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.219 -5.036 4.482 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.076 -4.892 5.533 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.454 -4.817 5.610 1.00 0.00 C ATOM 0 H PHE A 166 -1.787 -6.550 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 166 -1.899 -7.737 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.534 -5.361 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.070 -5.181 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.209 -5.497 2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.392 -5.240 4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.296 -4.979 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.475 -4.722 6.414 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.931 -4.587 6.551 1.00 0.00 H new ATOM 679 N LEU A 167 -4.817 -7.441 0.711 1.00 0.00 N ATOM 680 CA LEU A 167 -6.189 -7.919 0.700 1.00 0.00 C ATOM 681 C LEU A 167 -6.251 -9.387 0.285 1.00 0.00 C ATOM 682 O LEU A 167 -7.126 -10.131 0.727 1.00 0.00 O ATOM 683 CB LEU A 167 -7.024 -7.071 -0.255 1.00 0.00 C ATOM 684 CG LEU A 167 -6.780 -5.563 -0.163 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.575 -4.967 -1.547 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.936 -4.879 0.550 1.00 0.00 C ATOM 0 H LEU A 167 -4.583 -6.820 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.593 -7.832 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.822 -7.395 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.079 -7.266 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.872 -5.397 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.403 -3.894 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -5.712 -5.435 -2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.463 -5.144 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.746 -3.807 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -8.859 -5.055 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -8.033 -5.284 1.557 1.00 0.00 H new ATOM 698 N ALA A 168 -5.318 -9.794 -0.569 1.00 0.00 N ATOM 699 CA ALA A 168 -5.266 -11.172 -1.045 1.00 0.00 C ATOM 700 C ALA A 168 -4.297 -12.008 -0.216 1.00 0.00 C ATOM 701 O ALA A 168 -3.682 -12.946 -0.722 1.00 0.00 O ATOM 702 CB ALA A 168 -4.871 -11.207 -2.514 1.00 0.00 C ATOM 0 H ALA A 168 -4.588 -9.190 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.261 -11.604 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.836 -12.241 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.605 -10.655 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.889 -10.750 -2.638 1.00 0.00 H new ATOM 708 N GLY A 169 -4.166 -11.663 1.061 1.00 0.00 N ATOM 709 CA GLY A 169 -3.270 -12.392 1.939 1.00 0.00 C ATOM 710 C GLY A 169 -3.857 -12.599 3.321 1.00 0.00 C ATOM 711 O GLY A 169 -3.123 -12.714 4.303 1.00 0.00 O ATOM 0 H GLY A 169 -4.665 -10.891 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.040 -13.361 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -2.329 -11.849 2.025 1.00 0.00 H new ATOM 715 N GLY A 170 -5.183 -12.646 3.398 1.00 0.00 N ATOM 716 CA GLY A 170 -5.846 -12.840 4.674 1.00 0.00 C ATOM 717 C GLY A 170 -7.284 -12.363 4.659 1.00 0.00 C ATOM 718 O GLY A 170 -8.161 -13.105 5.150 1.00 0.00 O ATOM 719 OXT GLY A 170 -7.535 -11.247 4.157 1.00 0.00 O ATOM 0 H GLY A 170 -5.810 -12.553 2.599 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -5.820 -13.898 4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -5.297 -12.306 5.450 1.00 0.00 H new TER 723 GLY A 170