USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=5 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= -0.848 K(o=-0.85,f=-4.7!) USER MOD Single : A 132 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ -104:sc= 0.239 (180deg=0) USER MOD Single : A 138 TYR OH : rot 126:sc= 0.306 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 180:sc=6.39e-05 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -1.55 X(o=-1.6,f=-2!) USER MOD Single : A 160 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0776) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -8.316 10.223 -12.255 1.00 0.00 N ATOM 2 CA ASN A 126 -8.103 10.046 -10.794 1.00 0.00 C ATOM 3 C ASN A 126 -7.039 8.988 -10.514 1.00 0.00 C ATOM 4 O ASN A 126 -7.040 8.358 -9.457 1.00 0.00 O ATOM 5 CB ASN A 126 -9.431 9.638 -10.154 1.00 0.00 C ATOM 6 CG ASN A 126 -9.957 8.326 -10.702 1.00 0.00 C ATOM 7 OD1 ASN A 126 -9.247 7.600 -11.397 1.00 0.00 O ATOM 8 ND2 ASN A 126 -11.211 8.017 -10.392 1.00 0.00 N ATOM 0 HA ASN A 126 -7.752 10.986 -10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.300 9.552 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.169 10.422 -10.324 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.621 7.148 -10.733 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.764 8.649 -9.813 1.00 0.00 H new ATOM 17 N ARG A 127 -6.133 8.798 -11.469 1.00 0.00 N ATOM 18 CA ARG A 127 -5.064 7.815 -11.324 1.00 0.00 C ATOM 19 C ARG A 127 -5.635 6.424 -11.062 1.00 0.00 C ATOM 20 O ARG A 127 -6.850 6.242 -11.002 1.00 0.00 O ATOM 21 CB ARG A 127 -4.123 8.215 -10.187 1.00 0.00 C ATOM 22 CG ARG A 127 -2.673 7.830 -10.436 1.00 0.00 C ATOM 23 CD ARG A 127 -1.755 9.042 -10.394 1.00 0.00 C ATOM 24 NE ARG A 127 -0.413 8.697 -9.932 1.00 0.00 N ATOM 25 CZ ARG A 127 0.657 9.466 -10.121 1.00 0.00 C ATOM 26 NH1 ARG A 127 0.546 10.623 -10.762 1.00 0.00 N ATOM 27 NH2 ARG A 127 1.841 9.078 -9.667 1.00 0.00 N ATOM 0 H ARG A 127 -6.118 9.311 -12.350 1.00 0.00 H new ATOM 0 HA ARG A 127 -4.502 7.788 -12.258 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -4.184 9.293 -10.038 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.462 7.746 -9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -2.355 7.106 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -2.587 7.342 -11.407 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -1.693 9.485 -11.388 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -2.182 9.798 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.288 7.815 -9.435 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -0.362 10.927 -11.112 1.00 0.00 H new ATOM 0 HH12 ARG A 127 1.369 11.208 -10.904 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.932 8.190 -9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.661 9.667 -9.812 1.00 0.00 H new ATOM 41 N ARG A 128 -4.747 5.447 -10.906 1.00 0.00 N ATOM 42 CA ARG A 128 -5.162 4.072 -10.650 1.00 0.00 C ATOM 43 C ARG A 128 -4.512 3.538 -9.376 1.00 0.00 C ATOM 44 O ARG A 128 -3.937 2.449 -9.369 1.00 0.00 O ATOM 45 CB ARG A 128 -4.797 3.180 -11.840 1.00 0.00 C ATOM 46 CG ARG A 128 -5.888 3.098 -12.897 1.00 0.00 C ATOM 47 CD ARG A 128 -6.324 1.661 -13.140 1.00 0.00 C ATOM 48 NE ARG A 128 -5.451 0.977 -14.091 1.00 0.00 N ATOM 49 CZ ARG A 128 -5.534 1.122 -15.411 1.00 0.00 C ATOM 50 NH1 ARG A 128 -6.444 1.929 -15.942 1.00 0.00 N ATOM 51 NH2 ARG A 128 -4.702 0.459 -16.204 1.00 0.00 N ATOM 0 H ARG A 128 -3.737 5.582 -10.952 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.244 4.060 -10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -3.884 3.558 -12.300 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -4.578 2.176 -11.477 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -6.746 3.691 -12.582 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.526 3.532 -13.829 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.326 1.118 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.347 1.651 -13.516 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.735 0.351 -13.721 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.085 2.443 -15.337 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -6.502 2.036 -16.955 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.999 -0.161 -15.802 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.765 0.570 -17.216 1.00 0.00 H new ATOM 65 N VAL A 129 -4.605 4.313 -8.301 1.00 0.00 N ATOM 66 CA VAL A 129 -4.024 3.916 -7.024 1.00 0.00 C ATOM 67 C VAL A 129 -4.972 4.213 -5.866 1.00 0.00 C ATOM 68 O VAL A 129 -5.567 5.288 -5.792 1.00 0.00 O ATOM 69 CB VAL A 129 -2.680 4.634 -6.770 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.175 4.360 -5.357 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.646 4.213 -7.803 1.00 0.00 C ATOM 0 H VAL A 129 -5.076 5.218 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.851 2.841 -7.079 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.844 5.707 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.228 4.876 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.906 4.720 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.030 3.288 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.706 4.729 -7.608 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.488 3.136 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.002 4.472 -8.800 1.00 0.00 H new ATOM 81 N ILE A 130 -5.090 3.253 -4.956 1.00 0.00 N ATOM 82 CA ILE A 130 -5.944 3.406 -3.787 1.00 0.00 C ATOM 83 C ILE A 130 -5.181 3.048 -2.520 1.00 0.00 C ATOM 84 O ILE A 130 -4.824 1.890 -2.301 1.00 0.00 O ATOM 85 CB ILE A 130 -7.208 2.532 -3.892 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.930 2.822 -5.206 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.133 2.783 -2.709 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.546 1.883 -6.328 1.00 0.00 C ATOM 0 H ILE A 130 -4.603 2.358 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.252 4.451 -3.743 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.913 1.483 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.006 2.758 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.715 3.846 -5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.020 2.156 -2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.613 2.541 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.429 3.832 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.098 2.149 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.476 1.964 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.787 0.859 -6.044 1.00 0.00 H new ATOM 100 N ALA A 131 -4.927 4.053 -1.694 1.00 0.00 N ATOM 101 CA ALA A 131 -4.194 3.854 -0.448 1.00 0.00 C ATOM 102 C ALA A 131 -4.302 5.075 0.457 1.00 0.00 C ATOM 103 O ALA A 131 -4.514 6.193 -0.013 1.00 0.00 O ATOM 104 CB ALA A 131 -2.735 3.544 -0.743 1.00 0.00 C ATOM 0 H ALA A 131 -5.217 5.016 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.639 3.008 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.198 3.397 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.670 2.637 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.290 4.375 -1.290 1.00 0.00 H new ATOM 110 N MET A 132 -4.151 4.853 1.758 1.00 0.00 N ATOM 111 CA MET A 132 -4.228 5.936 2.731 1.00 0.00 C ATOM 112 C MET A 132 -3.151 6.984 2.461 1.00 0.00 C ATOM 113 O MET A 132 -2.116 6.684 1.864 1.00 0.00 O ATOM 114 CB MET A 132 -4.084 5.382 4.151 1.00 0.00 C ATOM 115 CG MET A 132 -5.395 5.329 4.917 1.00 0.00 C ATOM 116 SD MET A 132 -5.230 4.523 6.522 1.00 0.00 S ATOM 117 CE MET A 132 -5.165 5.945 7.610 1.00 0.00 C ATOM 0 H MET A 132 -3.975 3.934 2.163 1.00 0.00 H new ATOM 0 HA MET A 132 -5.203 6.414 2.636 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.662 4.379 4.100 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.375 5.999 4.703 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.769 6.343 5.061 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.138 4.797 4.322 1.00 0.00 H new ATOM 0 HE1 MET A 132 -5.063 5.609 8.642 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.310 6.567 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 132 -6.082 6.525 7.506 1.00 0.00 H new ATOM 127 N PRO A 133 -3.382 8.234 2.896 1.00 0.00 N ATOM 128 CA PRO A 133 -2.427 9.332 2.696 1.00 0.00 C ATOM 129 C PRO A 133 -1.042 9.009 3.246 1.00 0.00 C ATOM 130 O PRO A 133 -0.037 9.533 2.768 1.00 0.00 O ATOM 131 CB PRO A 133 -3.049 10.496 3.472 1.00 0.00 C ATOM 132 CG PRO A 133 -4.502 10.176 3.543 1.00 0.00 C ATOM 133 CD PRO A 133 -4.591 8.678 3.613 1.00 0.00 C ATOM 0 HA PRO A 133 -2.271 9.542 1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.615 10.584 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.878 11.445 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.961 10.636 4.418 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.029 10.558 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.601 8.323 4.644 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.499 8.306 3.139 1.00 0.00 H new ATOM 141 N SER A 134 -0.996 8.148 4.257 1.00 0.00 N ATOM 142 CA SER A 134 0.269 7.762 4.874 1.00 0.00 C ATOM 143 C SER A 134 0.859 6.525 4.204 1.00 0.00 C ATOM 144 O SER A 134 2.073 6.327 4.207 1.00 0.00 O ATOM 145 CB SER A 134 0.070 7.498 6.368 1.00 0.00 C ATOM 146 OG SER A 134 1.311 7.475 7.052 1.00 0.00 O ATOM 0 H SER A 134 -1.818 7.705 4.666 1.00 0.00 H new ATOM 0 HA SER A 134 0.969 8.587 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.570 8.270 6.795 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.443 6.546 6.507 1.00 0.00 H new ATOM 0 HG SER A 134 1.156 7.306 8.005 1.00 0.00 H new ATOM 152 N VAL A 135 -0.006 5.691 3.634 1.00 0.00 N ATOM 153 CA VAL A 135 0.439 4.471 2.968 1.00 0.00 C ATOM 154 C VAL A 135 1.181 4.780 1.681 1.00 0.00 C ATOM 155 O VAL A 135 2.255 4.238 1.429 1.00 0.00 O ATOM 156 CB VAL A 135 -0.738 3.538 2.648 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.248 2.267 1.967 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.504 3.218 3.916 1.00 0.00 C ATOM 0 H VAL A 135 -1.015 5.837 3.620 1.00 0.00 H new ATOM 0 HA VAL A 135 1.113 3.971 3.663 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.412 4.045 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.098 1.620 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.260 2.525 1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.446 1.745 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.337 2.556 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.840 2.727 4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.886 4.141 4.353 1.00 0.00 H new ATOM 168 N ARG A 136 0.607 5.650 0.867 1.00 0.00 N ATOM 169 CA ARG A 136 1.230 6.019 -0.395 1.00 0.00 C ATOM 170 C ARG A 136 2.650 6.513 -0.147 1.00 0.00 C ATOM 171 O ARG A 136 3.533 6.344 -0.985 1.00 0.00 O ATOM 172 CB ARG A 136 0.415 7.106 -1.096 1.00 0.00 C ATOM 173 CG ARG A 136 -1.044 6.737 -1.308 1.00 0.00 C ATOM 174 CD ARG A 136 -1.805 7.857 -2.002 1.00 0.00 C ATOM 175 NE ARG A 136 -2.001 9.009 -1.126 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.268 10.239 -1.563 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.374 10.480 -2.864 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.430 11.229 -0.696 1.00 0.00 N ATOM 0 H ARG A 136 -0.283 6.112 1.054 1.00 0.00 H new ATOM 0 HA ARG A 136 1.263 5.140 -1.038 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.467 8.022 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.870 7.322 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.108 5.827 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.509 6.520 -0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.260 8.168 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.774 7.485 -2.335 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.929 8.863 -0.119 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.251 9.722 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.579 11.424 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.350 11.049 0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.634 12.171 -1.030 1.00 0.00 H new ATOM 192 N LYS A 137 2.859 7.105 1.023 1.00 0.00 N ATOM 193 CA LYS A 137 4.168 7.610 1.406 1.00 0.00 C ATOM 194 C LYS A 137 5.065 6.465 1.850 1.00 0.00 C ATOM 195 O LYS A 137 6.246 6.413 1.505 1.00 0.00 O ATOM 196 CB LYS A 137 4.034 8.638 2.531 1.00 0.00 C ATOM 197 CG LYS A 137 5.334 9.358 2.855 1.00 0.00 C ATOM 198 CD LYS A 137 5.645 10.437 1.828 1.00 0.00 C ATOM 199 CE LYS A 137 6.767 10.012 0.893 1.00 0.00 C ATOM 200 NZ LYS A 137 8.064 10.650 1.255 1.00 0.00 N ATOM 0 H LYS A 137 2.133 7.247 1.725 1.00 0.00 H new ATOM 0 HA LYS A 137 4.619 8.095 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.280 9.374 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.672 8.137 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.265 9.807 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.152 8.638 2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.749 10.656 1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.926 11.357 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 137 6.875 8.928 0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 137 6.506 10.277 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 8.271 11.419 0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.004 11.037 2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 8.823 9.941 1.213 1.00 0.00 H new ATOM 214 N TYR A 138 4.492 5.553 2.628 1.00 0.00 N ATOM 215 CA TYR A 138 5.234 4.411 3.134 1.00 0.00 C ATOM 216 C TYR A 138 5.683 3.504 1.996 1.00 0.00 C ATOM 217 O TYR A 138 6.852 3.130 1.911 1.00 0.00 O ATOM 218 CB TYR A 138 4.359 3.627 4.104 1.00 0.00 C ATOM 219 CG TYR A 138 5.023 2.375 4.619 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.203 2.440 5.347 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.477 1.126 4.361 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.820 1.293 5.806 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.084 -0.022 4.817 1.00 0.00 C ATOM 224 CZ TYR A 138 6.256 0.064 5.539 1.00 0.00 C ATOM 225 OH TYR A 138 6.866 -1.083 5.995 1.00 0.00 O ATOM 0 H TYR A 138 3.515 5.585 2.920 1.00 0.00 H new ATOM 0 HA TYR A 138 6.122 4.775 3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.099 4.266 4.947 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.426 3.359 3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.645 3.402 5.558 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.561 1.053 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.738 1.359 6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.644 -0.987 4.610 1.00 0.00 H new ATOM 0 HH TYR A 138 6.225 -1.609 6.518 1.00 0.00 H new ATOM 235 N ALA A 139 4.757 3.180 1.102 1.00 0.00 N ATOM 236 CA ALA A 139 5.074 2.352 -0.047 1.00 0.00 C ATOM 237 C ALA A 139 6.034 3.104 -0.944 1.00 0.00 C ATOM 238 O ALA A 139 7.042 2.570 -1.391 1.00 0.00 O ATOM 239 CB ALA A 139 3.811 1.982 -0.811 1.00 0.00 C ATOM 0 H ALA A 139 3.783 3.479 1.153 1.00 0.00 H new ATOM 0 HA ALA A 139 5.539 1.427 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.073 1.361 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.138 1.430 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.317 2.889 -1.158 1.00 0.00 H new ATOM 245 N ARG A 140 5.719 4.368 -1.182 1.00 0.00 N ATOM 246 CA ARG A 140 6.561 5.218 -2.010 1.00 0.00 C ATOM 247 C ARG A 140 7.994 5.226 -1.478 1.00 0.00 C ATOM 248 O ARG A 140 8.951 5.344 -2.242 1.00 0.00 O ATOM 249 CB ARG A 140 5.997 6.643 -2.043 1.00 0.00 C ATOM 250 CG ARG A 140 6.877 7.633 -2.790 1.00 0.00 C ATOM 251 CD ARG A 140 7.061 7.228 -4.244 1.00 0.00 C ATOM 252 NE ARG A 140 6.905 8.362 -5.153 1.00 0.00 N ATOM 253 CZ ARG A 140 6.605 8.242 -6.445 1.00 0.00 C ATOM 254 NH1 ARG A 140 6.431 7.042 -6.986 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.480 9.326 -7.199 1.00 0.00 N ATOM 0 H ARG A 140 4.886 4.828 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 140 6.571 4.821 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.012 6.623 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.859 6.993 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.431 8.626 -2.742 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.850 7.696 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 140 8.051 6.791 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.335 6.456 -4.500 1.00 0.00 H new ATOM 0 HE ARG A 140 7.034 9.301 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 140 6.527 6.205 -6.411 1.00 0.00 H new ATOM 0 HH12 ARG A 140 6.201 6.957 -7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.614 10.250 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.250 9.235 -8.189 1.00 0.00 H new ATOM 269 N GLU A 141 8.130 5.091 -0.159 1.00 0.00 N ATOM 270 CA GLU A 141 9.436 5.075 0.482 1.00 0.00 C ATOM 271 C GLU A 141 10.043 3.680 0.456 1.00 0.00 C ATOM 272 O GLU A 141 11.252 3.518 0.281 1.00 0.00 O ATOM 273 CB GLU A 141 9.313 5.557 1.927 1.00 0.00 C ATOM 274 CG GLU A 141 9.128 7.058 2.058 1.00 0.00 C ATOM 275 CD GLU A 141 10.445 7.798 2.192 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.301 7.348 2.982 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.618 8.829 1.508 1.00 0.00 O ATOM 0 H GLU A 141 7.345 4.991 0.485 1.00 0.00 H new ATOM 0 HA GLU A 141 10.093 5.745 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.468 5.054 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.207 5.261 2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.592 7.432 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.506 7.269 2.928 1.00 0.00 H new ATOM 284 N LYS A 142 9.198 2.679 0.655 1.00 0.00 N ATOM 285 CA LYS A 142 9.637 1.293 0.680 1.00 0.00 C ATOM 286 C LYS A 142 9.750 0.701 -0.726 1.00 0.00 C ATOM 287 O LYS A 142 9.596 -0.507 -0.905 1.00 0.00 O ATOM 288 CB LYS A 142 8.648 0.471 1.506 1.00 0.00 C ATOM 289 CG LYS A 142 8.613 0.828 2.989 1.00 0.00 C ATOM 290 CD LYS A 142 9.993 1.155 3.541 1.00 0.00 C ATOM 291 CE LYS A 142 9.918 1.600 4.992 1.00 0.00 C ATOM 292 NZ LYS A 142 11.180 2.250 5.441 1.00 0.00 N ATOM 0 H LYS A 142 8.196 2.804 0.803 1.00 0.00 H new ATOM 0 HA LYS A 142 10.630 1.261 1.129 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.649 0.602 1.090 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.899 -0.585 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.953 1.683 3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.188 -0.004 3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.636 0.279 3.460 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.450 1.942 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.088 2.295 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.709 0.738 5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.087 2.539 6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.969 1.579 5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.367 3.088 4.854 1.00 0.00 H new ATOM 306 N GLY A 143 10.011 1.544 -1.725 1.00 0.00 N ATOM 307 CA GLY A 143 10.124 1.050 -3.092 1.00 0.00 C ATOM 308 C GLY A 143 8.902 0.252 -3.513 1.00 0.00 C ATOM 309 O GLY A 143 8.963 -0.569 -4.430 1.00 0.00 O ATOM 0 H GLY A 143 10.145 2.549 -1.616 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.259 1.892 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.013 0.425 -3.179 1.00 0.00 H new ATOM 313 N VAL A 144 7.795 0.497 -2.825 1.00 0.00 N ATOM 314 CA VAL A 144 6.535 -0.181 -3.087 1.00 0.00 C ATOM 315 C VAL A 144 5.536 0.761 -3.744 1.00 0.00 C ATOM 316 O VAL A 144 5.373 1.906 -3.322 1.00 0.00 O ATOM 317 CB VAL A 144 5.914 -0.695 -1.776 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.624 -1.451 -2.048 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.901 -1.560 -1.012 1.00 0.00 C ATOM 0 H VAL A 144 7.747 1.176 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 144 6.750 -1.016 -3.754 1.00 0.00 H new ATOM 0 HB VAL A 144 5.673 0.168 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.204 -1.804 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.910 -0.788 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.831 -2.303 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.439 -1.911 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.185 -2.416 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.789 -0.975 -0.773 1.00 0.00 H new ATOM 329 N ASP A 145 4.846 0.258 -4.754 1.00 0.00 N ATOM 330 CA ASP A 145 3.834 1.031 -5.445 1.00 0.00 C ATOM 331 C ASP A 145 2.486 0.367 -5.235 1.00 0.00 C ATOM 332 O ASP A 145 2.334 -0.825 -5.477 1.00 0.00 O ATOM 333 CB ASP A 145 4.155 1.136 -6.938 1.00 0.00 C ATOM 334 CG ASP A 145 3.199 2.057 -7.671 1.00 0.00 C ATOM 335 OD1 ASP A 145 1.993 2.041 -7.346 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.656 2.796 -8.569 1.00 0.00 O ATOM 0 H ASP A 145 4.971 -0.688 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 145 3.812 2.043 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.174 1.501 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.115 0.143 -7.386 1.00 0.00 H new ATOM 341 N ILE A 146 1.518 1.133 -4.757 1.00 0.00 N ATOM 342 CA ILE A 146 0.185 0.602 -4.492 1.00 0.00 C ATOM 343 C ILE A 146 -0.324 -0.261 -5.650 1.00 0.00 C ATOM 344 O ILE A 146 -1.144 -1.158 -5.451 1.00 0.00 O ATOM 345 CB ILE A 146 -0.827 1.735 -4.227 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.279 2.719 -3.190 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.156 1.161 -3.758 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.035 2.096 -1.831 1.00 0.00 C ATOM 0 H ILE A 146 1.628 2.124 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 146 0.272 -0.020 -3.601 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.989 2.273 -5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.656 3.140 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.980 3.546 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.859 1.974 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.558 0.499 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.005 0.598 -2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.353 2.852 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.972 1.699 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.690 1.287 -1.926 1.00 0.00 H new ATOM 360 N ARG A 147 0.171 0.003 -6.857 1.00 0.00 N ATOM 361 CA ARG A 147 -0.242 -0.761 -8.033 1.00 0.00 C ATOM 362 C ARG A 147 0.143 -2.226 -7.880 1.00 0.00 C ATOM 363 O ARG A 147 -0.587 -3.125 -8.296 1.00 0.00 O ATOM 364 CB ARG A 147 0.395 -0.180 -9.297 1.00 0.00 C ATOM 365 CG ARG A 147 -0.240 1.122 -9.754 1.00 0.00 C ATOM 366 CD ARG A 147 0.700 1.921 -10.642 1.00 0.00 C ATOM 367 NE ARG A 147 0.091 3.166 -11.102 1.00 0.00 N ATOM 368 CZ ARG A 147 0.781 4.192 -11.596 1.00 0.00 C ATOM 369 NH1 ARG A 147 2.103 4.124 -11.695 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.149 5.289 -11.990 1.00 0.00 N ATOM 0 H ARG A 147 0.855 0.736 -7.047 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.326 -0.693 -8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.457 -0.013 -9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.321 -0.912 -10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.160 0.908 -10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.515 1.719 -8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.614 2.146 -10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.986 1.317 -11.503 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.923 3.255 -11.041 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.595 3.283 -11.392 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.627 4.913 -12.074 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.867 5.347 -11.915 1.00 0.00 H new ATOM 0 HH22 ARG A 147 0.678 6.075 -12.368 1.00 0.00 H new ATOM 384 N LEU A 148 1.295 -2.449 -7.268 1.00 0.00 N ATOM 385 CA LEU A 148 1.809 -3.787 -7.032 1.00 0.00 C ATOM 386 C LEU A 148 1.283 -4.346 -5.711 1.00 0.00 C ATOM 387 O LEU A 148 1.514 -5.512 -5.388 1.00 0.00 O ATOM 388 CB LEU A 148 3.339 -3.758 -7.008 1.00 0.00 C ATOM 389 CG LEU A 148 3.977 -2.585 -7.757 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.486 -2.603 -7.610 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.586 -2.613 -9.226 1.00 0.00 C ATOM 0 H LEU A 148 1.901 -1.705 -6.921 1.00 0.00 H new ATOM 0 HA LEU A 148 1.469 -4.434 -7.841 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.670 -3.730 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.712 -4.688 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 148 3.604 -1.661 -7.316 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.914 -1.759 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.750 -2.529 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.880 -3.534 -8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.049 -1.772 -9.742 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.926 -3.546 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.502 -2.541 -9.315 1.00 0.00 H new ATOM 403 N VAL A 149 0.586 -3.509 -4.944 1.00 0.00 N ATOM 404 CA VAL A 149 0.046 -3.925 -3.656 1.00 0.00 C ATOM 405 C VAL A 149 -1.477 -3.943 -3.674 1.00 0.00 C ATOM 406 O VAL A 149 -2.119 -2.902 -3.807 1.00 0.00 O ATOM 407 CB VAL A 149 0.522 -2.998 -2.518 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.408 -3.699 -1.174 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.951 -2.528 -2.755 1.00 0.00 C ATOM 0 H VAL A 149 0.384 -2.541 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 149 0.416 -4.934 -3.474 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.124 -2.120 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.748 -3.029 -0.384 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.631 -3.974 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.025 -4.597 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.260 -1.876 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.615 -3.391 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.002 -1.979 -3.696 1.00 0.00 H new ATOM 419 N GLN A 150 -2.049 -5.134 -3.532 1.00 0.00 N ATOM 420 CA GLN A 150 -3.498 -5.289 -3.526 1.00 0.00 C ATOM 421 C GLN A 150 -4.071 -4.906 -2.166 1.00 0.00 C ATOM 422 O GLN A 150 -4.021 -5.687 -1.217 1.00 0.00 O ATOM 423 CB GLN A 150 -3.878 -6.733 -3.869 1.00 0.00 C ATOM 424 CG GLN A 150 -4.821 -6.845 -5.055 1.00 0.00 C ATOM 425 CD GLN A 150 -4.629 -8.131 -5.834 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.810 -9.226 -5.302 1.00 0.00 O ATOM 427 NE2 GLN A 150 -4.258 -8.005 -7.104 1.00 0.00 N ATOM 0 H GLN A 150 -1.531 -6.005 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.919 -4.624 -4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.971 -7.299 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.345 -7.194 -2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.851 -6.789 -4.702 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.665 -5.995 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -4.119 -7.078 -7.505 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -4.112 -8.836 -7.678 1.00 0.00 H new ATOM 436 N GLY A 151 -4.611 -3.695 -2.076 1.00 0.00 N ATOM 437 CA GLY A 151 -5.178 -3.231 -0.827 1.00 0.00 C ATOM 438 C GLY A 151 -6.532 -3.844 -0.537 1.00 0.00 C ATOM 439 O GLY A 151 -7.340 -4.038 -1.445 1.00 0.00 O ATOM 0 H GLY A 151 -4.665 -3.028 -2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.494 -3.468 -0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.274 -2.146 -0.857 1.00 0.00 H new ATOM 443 N THR A 152 -6.777 -4.150 0.731 1.00 0.00 N ATOM 444 CA THR A 152 -8.043 -4.743 1.148 1.00 0.00 C ATOM 445 C THR A 152 -8.773 -3.828 2.128 1.00 0.00 C ATOM 446 O THR A 152 -9.559 -4.290 2.955 1.00 0.00 O ATOM 447 CB THR A 152 -7.799 -6.108 1.792 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.483 -6.189 2.312 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.984 -7.264 0.833 1.00 0.00 C ATOM 0 H THR A 152 -6.114 -3.997 1.491 1.00 0.00 H new ATOM 0 HA THR A 152 -8.668 -4.872 0.264 1.00 0.00 H new ATOM 0 HB THR A 152 -8.543 -6.191 2.584 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.347 -7.069 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.796 -8.203 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.005 -7.260 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.285 -7.163 0.003 1.00 0.00 H new ATOM 457 N GLY A 153 -8.498 -2.529 2.040 1.00 0.00 N ATOM 458 CA GLY A 153 -9.127 -1.575 2.937 1.00 0.00 C ATOM 459 C GLY A 153 -10.410 -0.984 2.382 1.00 0.00 C ATOM 460 O GLY A 153 -10.400 -0.316 1.349 1.00 0.00 O ATOM 0 H GLY A 153 -7.852 -2.121 1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.342 -2.067 3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.425 -0.768 3.148 1.00 0.00 H new ATOM 464 N LYS A 154 -11.512 -1.220 3.086 1.00 0.00 N ATOM 465 CA LYS A 154 -12.818 -0.702 2.686 1.00 0.00 C ATOM 466 C LYS A 154 -13.219 -1.187 1.290 1.00 0.00 C ATOM 467 O LYS A 154 -13.988 -2.138 1.157 1.00 0.00 O ATOM 468 CB LYS A 154 -12.820 0.829 2.743 1.00 0.00 C ATOM 469 CG LYS A 154 -14.161 1.417 3.151 1.00 0.00 C ATOM 470 CD LYS A 154 -15.104 1.523 1.964 1.00 0.00 C ATOM 471 CE LYS A 154 -14.753 2.707 1.078 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.528 3.925 1.444 1.00 0.00 N ATOM 0 H LYS A 154 -11.527 -1.771 3.944 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.557 -1.086 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.057 1.160 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.542 1.222 1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.613 0.794 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.010 2.405 3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.060 0.604 1.380 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -16.129 1.625 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.687 2.917 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.949 2.452 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.259 4.709 0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.545 3.733 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.322 4.184 2.430 1.00 0.00 H new ATOM 486 N ASN A 155 -12.702 -0.529 0.255 1.00 0.00 N ATOM 487 CA ASN A 155 -13.023 -0.900 -1.120 1.00 0.00 C ATOM 488 C ASN A 155 -11.790 -1.428 -1.845 1.00 0.00 C ATOM 489 O ASN A 155 -11.674 -1.305 -3.064 1.00 0.00 O ATOM 490 CB ASN A 155 -13.597 0.301 -1.873 1.00 0.00 C ATOM 491 CG ASN A 155 -15.113 0.284 -1.918 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.733 -0.780 -1.928 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.717 1.465 -1.945 1.00 0.00 N ATOM 0 H ASN A 155 -12.062 0.260 0.342 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.770 -1.693 -1.090 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.261 1.221 -1.395 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.206 0.309 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.735 1.516 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -15.163 2.321 -1.935 1.00 0.00 H new ATOM 500 N GLY A 156 -10.872 -2.017 -1.088 1.00 0.00 N ATOM 501 CA GLY A 156 -9.661 -2.555 -1.676 1.00 0.00 C ATOM 502 C GLY A 156 -8.496 -1.588 -1.599 1.00 0.00 C ATOM 503 O GLY A 156 -7.542 -1.692 -2.371 1.00 0.00 O ATOM 0 H GLY A 156 -10.945 -2.131 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.394 -3.481 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.850 -2.809 -2.719 1.00 0.00 H new ATOM 507 N ARG A 157 -8.569 -0.646 -0.664 1.00 0.00 N ATOM 508 CA ARG A 157 -7.511 0.341 -0.487 1.00 0.00 C ATOM 509 C ARG A 157 -6.315 -0.278 0.227 1.00 0.00 C ATOM 510 O ARG A 157 -6.477 -1.088 1.140 1.00 0.00 O ATOM 511 CB ARG A 157 -8.037 1.541 0.308 1.00 0.00 C ATOM 512 CG ARG A 157 -6.987 2.605 0.578 1.00 0.00 C ATOM 513 CD ARG A 157 -7.602 3.847 1.204 1.00 0.00 C ATOM 514 NE ARG A 157 -8.670 4.405 0.379 1.00 0.00 N ATOM 515 CZ ARG A 157 -9.512 5.348 0.795 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.416 5.839 2.024 1.00 0.00 N ATOM 517 NH2 ARG A 157 -10.455 5.801 -0.019 1.00 0.00 N ATOM 0 H ARG A 157 -9.351 -0.546 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.188 0.682 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.866 1.992 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.436 1.188 1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.222 2.203 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.491 2.874 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -7.997 3.598 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.828 4.600 1.352 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.777 4.051 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.694 5.494 2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.064 6.562 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -10.535 5.427 -0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.100 6.524 0.300 1.00 0.00 H new ATOM 531 N VAL A 158 -5.113 0.097 -0.201 1.00 0.00 N ATOM 532 CA VAL A 158 -3.895 -0.437 0.395 1.00 0.00 C ATOM 533 C VAL A 158 -3.638 0.160 1.770 1.00 0.00 C ATOM 534 O VAL A 158 -3.789 1.363 1.985 1.00 0.00 O ATOM 535 CB VAL A 158 -2.661 -0.190 -0.504 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.367 -0.447 0.254 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.719 -1.068 -1.741 1.00 0.00 C ATOM 0 H VAL A 158 -4.958 0.766 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.048 -1.511 0.496 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.678 0.856 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.517 -0.265 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.310 0.221 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.345 -1.481 0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.843 -0.881 -2.362 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.735 -2.116 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.621 -0.838 -2.308 1.00 0.00 H new ATOM 547 N LEU A 159 -3.226 -0.698 2.691 1.00 0.00 N ATOM 548 CA LEU A 159 -2.915 -0.287 4.050 1.00 0.00 C ATOM 549 C LEU A 159 -1.427 -0.465 4.310 1.00 0.00 C ATOM 550 O LEU A 159 -0.747 -1.178 3.574 1.00 0.00 O ATOM 551 CB LEU A 159 -3.724 -1.119 5.047 1.00 0.00 C ATOM 552 CG LEU A 159 -5.235 -0.854 5.054 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.859 -1.357 6.346 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.530 0.628 4.862 1.00 0.00 C ATOM 0 H LEU A 159 -3.098 -1.695 2.518 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.177 0.764 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.559 -2.175 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.335 -0.934 6.048 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.677 -1.399 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.931 -1.160 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.688 -2.429 6.439 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.406 -0.842 7.193 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.608 0.789 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.072 1.198 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.122 0.960 3.907 1.00 0.00 H new ATOM 566 N LYS A 160 -0.911 0.170 5.356 1.00 0.00 N ATOM 567 CA LYS A 160 0.506 0.038 5.673 1.00 0.00 C ATOM 568 C LYS A 160 0.863 -1.433 5.838 1.00 0.00 C ATOM 569 O LYS A 160 1.968 -1.859 5.502 1.00 0.00 O ATOM 570 CB LYS A 160 0.863 0.814 6.941 1.00 0.00 C ATOM 571 CG LYS A 160 2.360 0.878 7.205 1.00 0.00 C ATOM 572 CD LYS A 160 2.846 2.312 7.337 1.00 0.00 C ATOM 573 CE LYS A 160 4.082 2.403 8.216 1.00 0.00 C ATOM 574 NZ LYS A 160 3.755 2.225 9.657 1.00 0.00 N ATOM 0 H LYS A 160 -1.440 0.770 5.988 1.00 0.00 H new ATOM 0 HA LYS A 160 1.082 0.459 4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.471 1.828 6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.370 0.349 7.795 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.592 0.329 8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.894 0.386 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.071 2.713 6.349 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.052 2.929 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.801 1.643 7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.561 3.371 8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.571 2.509 10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.935 2.815 9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.531 1.226 9.841 1.00 0.00 H new ATOM 588 N GLU A 161 -0.096 -2.211 6.335 1.00 0.00 N ATOM 589 CA GLU A 161 0.105 -3.639 6.515 1.00 0.00 C ATOM 590 C GLU A 161 0.307 -4.294 5.156 1.00 0.00 C ATOM 591 O GLU A 161 1.108 -5.217 5.009 1.00 0.00 O ATOM 592 CB GLU A 161 -1.096 -4.264 7.230 1.00 0.00 C ATOM 593 CG GLU A 161 -1.490 -3.535 8.504 1.00 0.00 C ATOM 594 CD GLU A 161 -2.081 -4.463 9.547 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.450 -5.499 9.846 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.174 -4.155 10.065 1.00 0.00 O ATOM 0 H GLU A 161 -1.016 -1.874 6.618 1.00 0.00 H new ATOM 0 HA GLU A 161 0.990 -3.800 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.948 -4.276 6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.866 -5.302 7.471 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.614 -3.038 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.214 -2.756 8.264 1.00 0.00 H new ATOM 603 N ASP A 162 -0.415 -3.787 4.159 1.00 0.00 N ATOM 604 CA ASP A 162 -0.306 -4.299 2.799 1.00 0.00 C ATOM 605 C ASP A 162 1.094 -4.039 2.259 1.00 0.00 C ATOM 606 O ASP A 162 1.750 -4.936 1.731 1.00 0.00 O ATOM 607 CB ASP A 162 -1.343 -3.632 1.897 1.00 0.00 C ATOM 608 CG ASP A 162 -2.686 -4.335 1.930 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.716 -5.567 1.728 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.706 -3.652 2.159 1.00 0.00 O ATOM 0 H ASP A 162 -1.081 -3.022 4.269 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.492 -5.373 2.812 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.473 -2.595 2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.971 -3.616 0.873 1.00 0.00 H new ATOM 615 N ILE A 163 1.540 -2.797 2.408 1.00 0.00 N ATOM 616 CA ILE A 163 2.867 -2.388 1.952 1.00 0.00 C ATOM 617 C ILE A 163 3.944 -3.312 2.507 1.00 0.00 C ATOM 618 O ILE A 163 4.746 -3.869 1.758 1.00 0.00 O ATOM 619 CB ILE A 163 3.191 -0.946 2.396 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.060 0.004 2.014 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.511 -0.481 1.790 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.739 -0.020 0.544 1.00 0.00 C ATOM 0 H ILE A 163 0.999 -2.050 2.844 1.00 0.00 H new ATOM 0 HA ILE A 163 2.857 -2.442 0.863 1.00 0.00 H new ATOM 0 HB ILE A 163 3.290 -0.938 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.166 -0.259 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.333 1.019 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.722 0.538 2.115 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.314 -1.140 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.442 -0.508 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.927 0.677 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.621 0.272 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.436 -1.026 0.254 1.00 0.00 H new ATOM 634 N ASP A 164 3.958 -3.465 3.827 1.00 0.00 N ATOM 635 CA ASP A 164 4.938 -4.317 4.488 1.00 0.00 C ATOM 636 C ASP A 164 4.873 -5.744 3.950 1.00 0.00 C ATOM 637 O ASP A 164 5.898 -6.347 3.632 1.00 0.00 O ATOM 638 CB ASP A 164 4.708 -4.319 6.000 1.00 0.00 C ATOM 639 CG ASP A 164 6.003 -4.414 6.783 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.690 -5.452 6.671 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.331 -3.452 7.508 1.00 0.00 O ATOM 0 H ASP A 164 3.301 -3.009 4.460 1.00 0.00 H new ATOM 0 HA ASP A 164 5.929 -3.915 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.180 -3.409 6.285 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.064 -5.157 6.265 1.00 0.00 H new ATOM 646 N ALA A 165 3.658 -6.278 3.852 1.00 0.00 N ATOM 647 CA ALA A 165 3.454 -7.634 3.354 1.00 0.00 C ATOM 648 C ALA A 165 3.986 -7.784 1.932 1.00 0.00 C ATOM 649 O ALA A 165 4.515 -8.832 1.563 1.00 0.00 O ATOM 650 CB ALA A 165 1.979 -7.999 3.408 1.00 0.00 C ATOM 0 H ALA A 165 2.800 -5.791 4.111 1.00 0.00 H new ATOM 0 HA ALA A 165 4.011 -8.317 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.841 -9.013 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.627 -7.942 4.438 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.409 -7.304 2.791 1.00 0.00 H new ATOM 656 N TRP A 166 3.843 -6.726 1.140 1.00 0.00 N ATOM 657 CA TRP A 166 4.308 -6.730 -0.237 1.00 0.00 C ATOM 658 C TRP A 166 5.813 -6.951 -0.293 1.00 0.00 C ATOM 659 O TRP A 166 6.294 -7.888 -0.929 1.00 0.00 O ATOM 660 CB TRP A 166 3.950 -5.402 -0.894 1.00 0.00 C ATOM 661 CG TRP A 166 4.189 -5.377 -2.368 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.391 -5.891 -3.347 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.312 -4.797 -3.028 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.958 -5.665 -4.579 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.138 -4.997 -4.408 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.446 -4.132 -2.580 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.062 -4.551 -5.346 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.366 -3.686 -3.510 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.169 -3.898 -4.881 1.00 0.00 C ATOM 0 H TRP A 166 3.406 -5.852 1.433 1.00 0.00 H new ATOM 0 HA TRP A 166 3.823 -7.545 -0.774 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.900 -5.183 -0.702 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.532 -4.607 -0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.453 -6.400 -3.180 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.562 -5.950 -5.475 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.606 -3.967 -1.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.911 -4.714 -6.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.251 -3.166 -3.175 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.906 -3.539 -5.584 1.00 0.00 H new ATOM 680 N LEU A 167 6.547 -6.077 0.383 1.00 0.00 N ATOM 681 CA LEU A 167 8.005 -6.164 0.424 1.00 0.00 C ATOM 682 C LEU A 167 8.457 -7.536 0.916 1.00 0.00 C ATOM 683 O LEU A 167 9.500 -8.042 0.500 1.00 0.00 O ATOM 684 CB LEU A 167 8.575 -5.070 1.330 1.00 0.00 C ATOM 685 CG LEU A 167 8.335 -3.641 0.838 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.767 -2.775 1.952 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.619 -3.035 0.287 1.00 0.00 C ATOM 0 H LEU A 167 6.158 -5.297 0.912 1.00 0.00 H new ATOM 0 HA LEU A 167 8.381 -6.021 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.138 -5.176 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.648 -5.228 1.436 1.00 0.00 H new ATOM 0 HG LEU A 167 7.604 -3.680 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.604 -1.764 1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.819 -3.194 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.470 -2.746 2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.424 -2.019 -0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.377 -3.014 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.977 -3.638 -0.548 1.00 0.00 H new ATOM 699 N ALA A 168 7.664 -8.133 1.799 1.00 0.00 N ATOM 700 CA ALA A 168 7.982 -9.447 2.343 1.00 0.00 C ATOM 701 C ALA A 168 7.776 -10.540 1.300 1.00 0.00 C ATOM 702 O ALA A 168 8.391 -11.605 1.373 1.00 0.00 O ATOM 703 CB ALA A 168 7.134 -9.726 3.576 1.00 0.00 C ATOM 0 H ALA A 168 6.797 -7.728 2.153 1.00 0.00 H new ATOM 0 HA ALA A 168 9.034 -9.449 2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.381 -10.711 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.334 -8.969 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.078 -9.699 3.305 1.00 0.00 H new ATOM 709 N GLY A 169 6.908 -10.271 0.328 1.00 0.00 N ATOM 710 CA GLY A 169 6.641 -11.243 -0.717 1.00 0.00 C ATOM 711 C GLY A 169 5.287 -11.908 -0.561 1.00 0.00 C ATOM 712 O GLY A 169 5.203 -13.093 -0.241 1.00 0.00 O ATOM 0 H GLY A 169 6.386 -9.399 0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.690 -10.750 -1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 169 7.420 -12.006 -0.707 1.00 0.00 H new ATOM 716 N GLY A 170 4.225 -11.143 -0.791 1.00 0.00 N ATOM 717 CA GLY A 170 2.883 -11.683 -0.670 1.00 0.00 C ATOM 718 C GLY A 170 1.833 -10.770 -1.274 1.00 0.00 C ATOM 719 O GLY A 170 0.748 -11.270 -1.635 1.00 0.00 O ATOM 720 OXT GLY A 170 2.098 -9.554 -1.385 1.00 0.00 O ATOM 0 H GLY A 170 4.269 -10.160 -1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.840 -12.655 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 170 2.655 -11.847 0.383 1.00 0.00 H new TER 724 GLY A 170