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= -0.261 X(o=-0.26,f=-0.031) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 132:sc= 0.00168 USER MOD Single : A 142 LYS NZ :NH3+ -148:sc= -0.176 (180deg=-0.642) USER MOD Single : A 150 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.03) 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= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -10.640 8.474 -11.496 1.00 0.00 N ATOM 2 CA ASN A 126 -9.619 9.266 -12.232 1.00 0.00 C ATOM 3 C ASN A 126 -8.241 8.620 -12.128 1.00 0.00 C ATOM 4 O ASN A 126 -7.673 8.183 -13.129 1.00 0.00 O ATOM 5 CB ASN A 126 -9.586 10.680 -11.649 1.00 0.00 C ATOM 6 CG ASN A 126 -10.497 11.635 -12.396 1.00 0.00 C ATOM 7 OD1 ASN A 126 -11.345 12.296 -11.798 1.00 0.00 O ATOM 8 ND2 ASN A 126 -10.325 11.709 -13.710 1.00 0.00 N ATOM 0 HA ASN A 126 -9.886 9.302 -13.288 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.882 10.645 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.564 11.059 -11.679 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.909 12.333 -14.266 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.609 11.142 -14.163 1.00 0.00 H new ATOM 17 N ARG A 127 -7.710 8.562 -10.911 1.00 0.00 N ATOM 18 CA ARG A 127 -6.400 7.967 -10.677 1.00 0.00 C ATOM 19 C ARG A 127 -6.457 6.451 -10.839 1.00 0.00 C ATOM 20 O ARG A 127 -7.486 5.896 -11.225 1.00 0.00 O ATOM 21 CB ARG A 127 -5.897 8.327 -9.277 1.00 0.00 C ATOM 22 CG ARG A 127 -4.925 9.494 -9.261 1.00 0.00 C ATOM 23 CD ARG A 127 -5.610 10.795 -9.651 1.00 0.00 C ATOM 24 NE ARG A 127 -5.638 10.988 -11.099 1.00 0.00 N ATOM 25 CZ ARG A 127 -4.591 11.397 -11.813 1.00 0.00 C ATOM 26 NH1 ARG A 127 -3.433 11.656 -11.217 1.00 0.00 N ATOM 27 NH2 ARG A 127 -4.703 11.547 -13.125 1.00 0.00 N ATOM 0 H ARG A 127 -8.167 8.920 -10.072 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.707 8.367 -11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.751 8.568 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -5.412 7.455 -8.839 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -4.491 9.594 -8.266 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -4.103 9.294 -9.948 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -6.630 10.797 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.091 11.632 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.511 10.798 -11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -3.342 11.542 -10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -2.634 11.969 -11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.591 11.349 -13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -3.902 11.860 -13.673 1.00 0.00 H new ATOM 41 N ARG A 128 -5.345 5.786 -10.540 1.00 0.00 N ATOM 42 CA ARG A 128 -5.272 4.333 -10.654 1.00 0.00 C ATOM 43 C ARG A 128 -4.612 3.721 -9.421 1.00 0.00 C ATOM 44 O ARG A 128 -4.041 2.632 -9.489 1.00 0.00 O ATOM 45 CB ARG A 128 -4.496 3.938 -11.911 1.00 0.00 C ATOM 46 CG ARG A 128 -5.038 2.693 -12.596 1.00 0.00 C ATOM 47 CD ARG A 128 -4.048 1.539 -12.539 1.00 0.00 C ATOM 48 NE ARG A 128 -3.603 1.135 -13.871 1.00 0.00 N ATOM 49 CZ ARG A 128 -2.670 1.780 -14.569 1.00 0.00 C ATOM 50 NH1 ARG A 128 -2.078 2.856 -14.065 1.00 0.00 N ATOM 51 NH2 ARG A 128 -2.326 1.346 -15.774 1.00 0.00 N ATOM 0 H ARG A 128 -4.484 6.229 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 128 -6.289 3.948 -10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.517 4.769 -12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.452 3.771 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -5.972 2.394 -12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.269 2.922 -13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -3.185 1.831 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.510 0.689 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.032 0.310 -14.291 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -2.337 3.193 -13.138 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.364 3.345 -14.605 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -2.776 0.519 -16.166 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -1.612 1.840 -16.309 1.00 0.00 H new ATOM 65 N VAL A 129 -4.697 4.424 -8.297 1.00 0.00 N ATOM 66 CA VAL A 129 -4.108 3.945 -7.051 1.00 0.00 C ATOM 67 C VAL A 129 -5.043 4.194 -5.872 1.00 0.00 C ATOM 68 O VAL A 129 -5.673 5.248 -5.777 1.00 0.00 O ATOM 69 CB VAL A 129 -2.748 4.623 -6.774 1.00 0.00 C ATOM 70 CG1 VAL A 129 -2.263 4.319 -5.361 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.714 4.187 -7.801 1.00 0.00 C ATOM 0 H VAL A 129 -5.167 5.326 -8.223 1.00 0.00 H new ATOM 0 HA VAL A 129 -3.951 2.872 -7.164 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.885 5.701 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -1.304 4.808 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -2.991 4.689 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.147 3.242 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.763 4.675 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.586 3.106 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -2.052 4.467 -8.799 1.00 0.00 H new ATOM 81 N ILE A 130 -5.117 3.222 -4.971 1.00 0.00 N ATOM 82 CA ILE A 130 -5.960 3.337 -3.790 1.00 0.00 C ATOM 83 C ILE A 130 -5.172 2.993 -2.533 1.00 0.00 C ATOM 84 O ILE A 130 -4.779 1.845 -2.326 1.00 0.00 O ATOM 85 CB ILE A 130 -7.199 2.427 -3.888 1.00 0.00 C ATOM 86 CG1 ILE A 130 -7.941 2.697 -5.193 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.120 2.648 -2.697 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.569 1.748 -6.311 1.00 0.00 C ATOM 0 H ILE A 130 -4.602 2.344 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.298 4.372 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.872 1.387 -3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.014 2.628 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -7.736 3.719 -5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -8.990 1.997 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.585 2.418 -1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.446 3.688 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.136 2.001 -7.207 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.503 1.833 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -7.800 0.725 -6.012 1.00 0.00 H new ATOM 100 N ALA A 131 -4.943 4.001 -1.702 1.00 0.00 N ATOM 101 CA ALA A 131 -4.196 3.819 -0.464 1.00 0.00 C ATOM 102 C ALA A 131 -4.284 5.059 0.417 1.00 0.00 C ATOM 103 O ALA A 131 -4.457 6.174 -0.078 1.00 0.00 O ATOM 104 CB ALA A 131 -2.742 3.490 -0.769 1.00 0.00 C ATOM 0 H ALA A 131 -5.265 4.955 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.640 2.986 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.196 3.357 0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.692 2.571 -1.353 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.296 4.306 -1.337 1.00 0.00 H new ATOM 110 N MET A 132 -4.163 4.860 1.726 1.00 0.00 N ATOM 111 CA MET A 132 -4.225 5.962 2.676 1.00 0.00 C ATOM 112 C MET A 132 -3.160 7.011 2.363 1.00 0.00 C ATOM 113 O MET A 132 -2.178 6.725 1.679 1.00 0.00 O ATOM 114 CB MET A 132 -4.045 5.440 4.104 1.00 0.00 C ATOM 115 CG MET A 132 -5.340 5.387 4.898 1.00 0.00 C ATOM 116 SD MET A 132 -5.202 6.183 6.511 1.00 0.00 S ATOM 117 CE MET A 132 -6.159 5.060 7.526 1.00 0.00 C ATOM 0 H MET A 132 -4.021 3.944 2.152 1.00 0.00 H new ATOM 0 HA MET A 132 -5.205 6.432 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.611 4.441 4.065 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.333 6.077 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 132 -6.132 5.870 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.635 4.347 5.035 1.00 0.00 H new ATOM 0 HE1 MET A 132 -6.168 5.418 8.556 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.181 5.011 7.150 1.00 0.00 H new ATOM 0 HE3 MET A 132 -5.712 4.067 7.491 1.00 0.00 H new ATOM 127 N PRO A 133 -3.341 8.246 2.864 1.00 0.00 N ATOM 128 CA PRO A 133 -2.389 9.338 2.635 1.00 0.00 C ATOM 129 C PRO A 133 -1.008 9.029 3.205 1.00 0.00 C ATOM 130 O PRO A 133 0.000 9.553 2.734 1.00 0.00 O ATOM 131 CB PRO A 133 -3.016 10.530 3.368 1.00 0.00 C ATOM 132 CG PRO A 133 -3.974 9.929 4.339 1.00 0.00 C ATOM 133 CD PRO A 133 -4.480 8.673 3.693 1.00 0.00 C ATOM 0 HA PRO A 133 -2.228 9.517 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.257 11.122 3.879 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.526 11.197 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.483 9.710 5.287 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.793 10.615 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.747 7.918 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.370 8.859 3.092 1.00 0.00 H new ATOM 141 N SER A 134 -0.971 8.173 4.221 1.00 0.00 N ATOM 142 CA SER A 134 0.286 7.794 4.855 1.00 0.00 C ATOM 143 C SER A 134 0.882 6.554 4.194 1.00 0.00 C ATOM 144 O SER A 134 2.099 6.374 4.177 1.00 0.00 O ATOM 145 CB SER A 134 0.072 7.536 6.347 1.00 0.00 C ATOM 146 OG SER A 134 1.305 7.524 7.046 1.00 0.00 O ATOM 0 H SER A 134 -1.797 7.729 4.623 1.00 0.00 H new ATOM 0 HA SER A 134 0.986 8.620 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.577 8.306 6.763 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.437 6.582 6.485 1.00 0.00 H new ATOM 0 HG SER A 134 1.140 7.359 7.998 1.00 0.00 H new ATOM 152 N VAL A 135 0.017 5.700 3.653 1.00 0.00 N ATOM 153 CA VAL A 135 0.466 4.478 2.996 1.00 0.00 C ATOM 154 C VAL A 135 1.217 4.781 1.715 1.00 0.00 C ATOM 155 O VAL A 135 2.301 4.251 1.479 1.00 0.00 O ATOM 156 CB VAL A 135 -0.709 3.545 2.667 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.212 2.281 1.975 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.482 3.210 3.929 1.00 0.00 C ATOM 0 H VAL A 135 -0.994 5.832 3.657 1.00 0.00 H new ATOM 0 HA VAL A 135 1.133 3.980 3.700 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.383 4.058 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.059 1.633 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.296 2.549 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.483 1.756 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.312 2.548 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.821 2.714 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.869 4.127 4.373 1.00 0.00 H new ATOM 168 N ARG A 136 0.638 5.634 0.884 1.00 0.00 N ATOM 169 CA ARG A 136 1.265 5.996 -0.376 1.00 0.00 C ATOM 170 C ARG A 136 2.676 6.512 -0.124 1.00 0.00 C ATOM 171 O ARG A 136 3.562 6.362 -0.960 1.00 0.00 O ATOM 172 CB ARG A 136 0.437 7.062 -1.099 1.00 0.00 C ATOM 173 CG ARG A 136 -0.549 6.488 -2.104 1.00 0.00 C ATOM 174 CD ARG A 136 -1.464 7.565 -2.668 1.00 0.00 C ATOM 175 NE ARG A 136 -1.276 7.743 -4.106 1.00 0.00 N ATOM 176 CZ ARG A 136 -1.997 8.579 -4.849 1.00 0.00 C ATOM 177 NH1 ARG A 136 -2.953 9.314 -4.296 1.00 0.00 N ATOM 178 NH2 ARG A 136 -1.760 8.680 -6.150 1.00 0.00 N ATOM 0 H ARG A 136 -0.260 6.086 1.058 1.00 0.00 H new ATOM 0 HA ARG A 136 1.317 5.110 -1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -0.110 7.648 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.111 7.746 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.003 6.010 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.149 5.714 -1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.502 7.300 -2.468 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.271 8.509 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.550 7.195 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.139 9.240 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.502 9.953 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.026 8.117 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.312 9.320 -6.721 1.00 0.00 H new ATOM 192 N LYS A 137 2.875 7.101 1.051 1.00 0.00 N ATOM 193 CA LYS A 137 4.177 7.619 1.440 1.00 0.00 C ATOM 194 C LYS A 137 5.086 6.482 1.877 1.00 0.00 C ATOM 195 O LYS A 137 6.271 6.452 1.546 1.00 0.00 O ATOM 196 CB LYS A 137 4.031 8.638 2.573 1.00 0.00 C ATOM 197 CG LYS A 137 5.342 9.300 2.966 1.00 0.00 C ATOM 198 CD LYS A 137 5.652 10.496 2.079 1.00 0.00 C ATOM 199 CE LYS A 137 7.106 10.501 1.638 1.00 0.00 C ATOM 200 NZ LYS A 137 8.024 10.860 2.755 1.00 0.00 N ATOM 0 H LYS A 137 2.145 7.231 1.752 1.00 0.00 H new ATOM 0 HA LYS A 137 4.622 8.116 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.321 9.408 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.608 8.141 3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.291 9.621 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.152 8.574 2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.005 10.477 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.431 11.417 2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.372 9.517 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.235 11.210 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 9.006 10.852 2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.787 11.810 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.920 10.169 3.525 1.00 0.00 H new ATOM 214 N TYR A 138 4.517 5.548 2.635 1.00 0.00 N ATOM 215 CA TYR A 138 5.267 4.408 3.133 1.00 0.00 C ATOM 216 C TYR A 138 5.726 3.515 1.988 1.00 0.00 C ATOM 217 O TYR A 138 6.898 3.150 1.904 1.00 0.00 O ATOM 218 CB TYR A 138 4.398 3.610 4.095 1.00 0.00 C ATOM 219 CG TYR A 138 5.064 2.352 4.592 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.260 2.405 5.296 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.502 1.108 4.345 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.875 1.253 5.742 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.110 -0.044 4.786 1.00 0.00 C ATOM 224 CZ TYR A 138 6.296 0.029 5.485 1.00 0.00 C ATOM 225 OH TYR A 138 6.904 -1.123 5.925 1.00 0.00 O ATOM 0 H TYR A 138 3.537 5.562 2.916 1.00 0.00 H new ATOM 0 HA TYR A 138 6.151 4.775 3.654 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.140 4.238 4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.464 3.347 3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.716 3.363 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.573 1.043 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.804 1.310 6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.659 -1.005 4.585 1.00 0.00 H new ATOM 0 HH TYR A 138 6.242 -1.693 6.370 1.00 0.00 H new ATOM 235 N ALA A 139 4.803 3.194 1.089 1.00 0.00 N ATOM 236 CA ALA A 139 5.131 2.378 -0.067 1.00 0.00 C ATOM 237 C ALA A 139 6.087 3.150 -0.953 1.00 0.00 C ATOM 238 O ALA A 139 7.106 2.632 -1.396 1.00 0.00 O ATOM 239 CB ALA A 139 3.873 2.005 -0.838 1.00 0.00 C ATOM 0 H ALA A 139 3.827 3.486 1.140 1.00 0.00 H new ATOM 0 HA ALA A 139 5.603 1.453 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.142 1.394 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.202 1.442 -0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.373 2.912 -1.178 1.00 0.00 H new ATOM 245 N ARG A 140 5.759 4.415 -1.182 1.00 0.00 N ATOM 246 CA ARG A 140 6.597 5.282 -1.993 1.00 0.00 C ATOM 247 C ARG A 140 8.024 5.300 -1.451 1.00 0.00 C ATOM 248 O ARG A 140 8.986 5.439 -2.205 1.00 0.00 O ATOM 249 CB ARG A 140 6.018 6.700 -2.002 1.00 0.00 C ATOM 250 CG ARG A 140 6.880 7.710 -2.741 1.00 0.00 C ATOM 251 CD ARG A 140 6.223 8.153 -4.037 1.00 0.00 C ATOM 252 NE ARG A 140 6.460 9.567 -4.317 1.00 0.00 N ATOM 253 CZ ARG A 140 5.725 10.290 -5.158 1.00 0.00 C ATOM 254 NH1 ARG A 140 4.705 9.735 -5.802 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.009 11.570 -5.355 1.00 0.00 N ATOM 0 H ARG A 140 4.918 4.862 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 140 6.619 4.899 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.029 6.676 -2.460 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.884 7.034 -0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.054 8.577 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.854 7.271 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 140 6.606 7.551 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.150 7.970 -3.980 1.00 0.00 H new ATOM 0 HE ARG A 140 7.235 10.027 -3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.482 8.751 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.144 10.293 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 140 6.791 12.001 -4.862 1.00 0.00 H new ATOM 0 HH22 ARG A 140 5.445 12.124 -6.000 1.00 0.00 H new ATOM 269 N GLU A 141 8.148 5.153 -0.135 1.00 0.00 N ATOM 270 CA GLU A 141 9.446 5.146 0.520 1.00 0.00 C ATOM 271 C GLU A 141 10.076 3.759 0.483 1.00 0.00 C ATOM 272 O GLU A 141 11.289 3.621 0.322 1.00 0.00 O ATOM 273 CB GLU A 141 9.303 5.608 1.969 1.00 0.00 C ATOM 274 CG GLU A 141 9.134 7.111 2.118 1.00 0.00 C ATOM 275 CD GLU A 141 10.427 7.808 2.495 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.225 8.109 1.583 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.639 8.053 3.701 1.00 0.00 O ATOM 0 H GLU A 141 7.358 5.037 0.500 1.00 0.00 H new ATOM 0 HA GLU A 141 10.098 5.833 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.444 5.109 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.183 5.293 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.762 7.526 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.380 7.315 2.879 1.00 0.00 H new ATOM 284 N LYS A 142 9.247 2.737 0.653 1.00 0.00 N ATOM 285 CA LYS A 142 9.718 1.360 0.662 1.00 0.00 C ATOM 286 C LYS A 142 9.864 0.798 -0.754 1.00 0.00 C ATOM 287 O LYS A 142 9.843 -0.417 -0.943 1.00 0.00 O ATOM 288 CB LYS A 142 8.731 0.496 1.451 1.00 0.00 C ATOM 289 CG LYS A 142 8.756 0.677 2.971 1.00 0.00 C ATOM 290 CD LYS A 142 9.678 1.797 3.434 1.00 0.00 C ATOM 291 CE LYS A 142 11.112 1.317 3.582 1.00 0.00 C ATOM 292 NZ LYS A 142 12.085 2.290 3.014 1.00 0.00 N ATOM 0 H LYS A 142 8.241 2.838 0.787 1.00 0.00 H new ATOM 0 HA LYS A 142 10.702 1.344 1.131 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.724 0.711 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.932 -0.551 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.744 0.882 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 142 9.071 -0.258 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.641 2.619 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.325 2.189 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.334 1.156 4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.226 0.355 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.907 1.778 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.631 2.829 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.398 2.944 3.760 1.00 0.00 H new ATOM 306 N GLY A 143 9.999 1.674 -1.748 1.00 0.00 N ATOM 307 CA GLY A 143 10.128 1.206 -3.121 1.00 0.00 C ATOM 308 C GLY A 143 8.917 0.401 -3.564 1.00 0.00 C ATOM 309 O GLY A 143 8.971 -0.340 -4.546 1.00 0.00 O ATOM 0 H GLY A 143 10.021 2.687 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.258 2.061 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.024 0.593 -3.212 1.00 0.00 H new ATOM 313 N VAL A 144 7.822 0.554 -2.825 1.00 0.00 N ATOM 314 CA VAL A 144 6.572 -0.139 -3.103 1.00 0.00 C ATOM 315 C VAL A 144 5.564 0.800 -3.744 1.00 0.00 C ATOM 316 O VAL A 144 5.393 1.939 -3.311 1.00 0.00 O ATOM 317 CB VAL A 144 5.953 -0.685 -1.804 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.657 -1.427 -2.089 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.939 -1.576 -1.070 1.00 0.00 C ATOM 0 H VAL A 144 7.779 1.167 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 144 6.802 -0.959 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 144 5.719 0.162 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.240 -1.803 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.944 -0.748 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.856 -2.263 -2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.480 -1.950 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.215 -2.416 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.831 -1.002 -0.820 1.00 0.00 H new ATOM 329 N ASP A 145 4.875 0.302 -4.757 1.00 0.00 N ATOM 330 CA ASP A 145 3.856 1.075 -5.434 1.00 0.00 C ATOM 331 C ASP A 145 2.512 0.399 -5.224 1.00 0.00 C ATOM 332 O ASP A 145 2.371 -0.797 -5.462 1.00 0.00 O ATOM 333 CB ASP A 145 4.173 1.201 -6.923 1.00 0.00 C ATOM 334 CG ASP A 145 3.382 2.310 -7.589 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.143 2.333 -7.428 1.00 0.00 O ATOM 336 OD2 ASP A 145 4.000 3.153 -8.271 1.00 0.00 O ATOM 0 H ASP A 145 5.006 -0.639 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 145 3.826 2.083 -5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.239 1.391 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 145 3.957 0.255 -7.419 1.00 0.00 H new ATOM 341 N ILE A 146 1.539 1.158 -4.752 1.00 0.00 N ATOM 342 CA ILE A 146 0.211 0.619 -4.486 1.00 0.00 C ATOM 343 C ILE A 146 -0.292 -0.249 -5.641 1.00 0.00 C ATOM 344 O ILE A 146 -1.097 -1.157 -5.435 1.00 0.00 O ATOM 345 CB ILE A 146 -0.810 1.745 -4.225 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.274 2.735 -3.185 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.139 1.164 -3.766 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.061 2.120 -1.818 1.00 0.00 C ATOM 0 H ILE A 146 1.641 2.151 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 146 0.304 0.000 -3.593 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.969 2.282 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.671 3.147 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.971 3.568 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.847 1.973 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.532 0.502 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.991 0.600 -2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.319 2.878 -1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.008 1.733 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.659 1.305 -1.894 1.00 0.00 H new ATOM 360 N ARG A 147 0.189 0.022 -6.853 1.00 0.00 N ATOM 361 CA ARG A 147 -0.233 -0.752 -8.019 1.00 0.00 C ATOM 362 C ARG A 147 0.206 -2.205 -7.883 1.00 0.00 C ATOM 363 O ARG A 147 -0.523 -3.124 -8.258 1.00 0.00 O ATOM 364 CB ARG A 147 0.317 -0.140 -9.311 1.00 0.00 C ATOM 365 CG ARG A 147 1.830 -0.020 -9.346 1.00 0.00 C ATOM 366 CD ARG A 147 2.285 0.985 -10.393 1.00 0.00 C ATOM 367 NE ARG A 147 3.004 0.345 -11.493 1.00 0.00 N ATOM 368 CZ ARG A 147 4.307 0.068 -11.467 1.00 0.00 C ATOM 369 NH1 ARG A 147 5.036 0.361 -10.397 1.00 0.00 N ATOM 370 NH2 ARG A 147 4.882 -0.507 -12.514 1.00 0.00 N ATOM 0 H ARG A 147 0.862 0.762 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.321 -0.724 -8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.008 -0.748 -10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.118 0.850 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 147 2.195 0.285 -8.365 1.00 0.00 H new ATOM 0 HG3 ARG A 147 2.269 -0.995 -9.561 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.418 1.515 -10.787 1.00 0.00 H new ATOM 0 HD3 ARG A 147 2.928 1.730 -9.925 1.00 0.00 H new ATOM 0 HE ARG A 147 2.477 0.096 -12.330 1.00 0.00 H new ATOM 0 HH11 ARG A 147 4.599 0.801 -9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 147 6.033 0.146 -10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 147 4.327 -0.737 -13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 147 5.879 -0.720 -12.495 1.00 0.00 H new ATOM 384 N LEU A 148 1.390 -2.403 -7.323 1.00 0.00 N ATOM 385 CA LEU A 148 1.926 -3.736 -7.105 1.00 0.00 C ATOM 386 C LEU A 148 1.366 -4.331 -5.814 1.00 0.00 C ATOM 387 O LEU A 148 1.579 -5.507 -5.519 1.00 0.00 O ATOM 388 CB LEU A 148 3.453 -3.695 -7.018 1.00 0.00 C ATOM 389 CG LEU A 148 4.128 -2.533 -7.747 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.607 -2.491 -7.420 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.919 -2.651 -9.249 1.00 0.00 C ATOM 0 H LEU A 148 2.002 -1.649 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 148 1.631 -4.359 -7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.738 -3.655 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.847 -4.629 -7.419 1.00 0.00 H new ATOM 0 HG LEU A 148 3.672 -1.603 -7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.073 -1.658 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.739 -2.360 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 148 6.075 -3.425 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.406 -1.815 -9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.349 -3.588 -9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.852 -2.635 -9.470 1.00 0.00 H new ATOM 403 N VAL A 149 0.664 -3.507 -5.035 1.00 0.00 N ATOM 404 CA VAL A 149 0.101 -3.951 -3.767 1.00 0.00 C ATOM 405 C VAL A 149 -1.424 -3.937 -3.797 1.00 0.00 C ATOM 406 O VAL A 149 -2.044 -2.879 -3.912 1.00 0.00 O ATOM 407 CB VAL A 149 0.591 -3.063 -2.604 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.446 -3.787 -1.277 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.038 -2.635 -2.823 1.00 0.00 C ATOM 0 H VAL A 149 0.474 -2.531 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 149 0.441 -4.975 -3.610 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.031 -2.168 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.797 -3.143 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.602 -4.037 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.039 -4.702 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.362 -2.010 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.674 -3.518 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.114 -2.070 -3.752 1.00 0.00 H new ATOM 419 N GLN A 150 -2.021 -5.119 -3.688 1.00 0.00 N ATOM 420 CA GLN A 150 -3.475 -5.247 -3.698 1.00 0.00 C ATOM 421 C GLN A 150 -4.070 -4.733 -2.390 1.00 0.00 C ATOM 422 O GLN A 150 -3.904 -5.350 -1.337 1.00 0.00 O ATOM 423 CB GLN A 150 -3.876 -6.708 -3.919 1.00 0.00 C ATOM 424 CG GLN A 150 -4.769 -6.917 -5.130 1.00 0.00 C ATOM 425 CD GLN A 150 -4.655 -8.317 -5.702 1.00 0.00 C ATOM 426 OE1 GLN A 150 -5.654 -9.020 -5.856 1.00 0.00 O ATOM 427 NE2 GLN A 150 -3.433 -8.729 -6.019 1.00 0.00 N ATOM 0 H GLN A 150 -1.521 -6.003 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.867 -4.644 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.975 -7.310 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.391 -7.073 -3.031 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.805 -6.726 -4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.507 -6.191 -5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -2.633 -8.112 -5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -3.294 -9.662 -6.407 1.00 0.00 H new ATOM 436 N GLY A 151 -4.760 -3.600 -2.462 1.00 0.00 N ATOM 437 CA GLY A 151 -5.363 -3.026 -1.275 1.00 0.00 C ATOM 438 C GLY A 151 -6.562 -3.815 -0.789 1.00 0.00 C ATOM 439 O GLY A 151 -7.453 -4.145 -1.570 1.00 0.00 O ATOM 0 H GLY A 151 -4.912 -3.070 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.618 -2.978 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.669 -2.001 -1.487 1.00 0.00 H new ATOM 443 N THR A 152 -6.583 -4.118 0.506 1.00 0.00 N ATOM 444 CA THR A 152 -7.681 -4.870 1.101 1.00 0.00 C ATOM 445 C THR A 152 -8.391 -4.044 2.172 1.00 0.00 C ATOM 446 O THR A 152 -8.980 -4.594 3.102 1.00 0.00 O ATOM 447 CB THR A 152 -7.161 -6.176 1.707 1.00 0.00 C ATOM 448 OG1 THR A 152 -5.779 -6.077 1.999 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.354 -7.373 0.803 1.00 0.00 C ATOM 0 H THR A 152 -5.850 -3.853 1.164 1.00 0.00 H new ATOM 0 HA THR A 152 -8.399 -5.102 0.314 1.00 0.00 H new ATOM 0 HB THR A 152 -7.747 -6.328 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.465 -6.921 2.387 1.00 0.00 H new ATOM 0 HG21 THR A 152 -6.964 -8.265 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.416 -7.507 0.598 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.821 -7.211 -0.134 1.00 0.00 H new ATOM 457 N GLY A 153 -8.323 -2.721 2.044 1.00 0.00 N ATOM 458 CA GLY A 153 -8.952 -1.851 3.022 1.00 0.00 C ATOM 459 C GLY A 153 -10.256 -1.244 2.536 1.00 0.00 C ATOM 460 O GLY A 153 -10.286 -0.543 1.527 1.00 0.00 O ATOM 0 H GLY A 153 -7.845 -2.238 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.141 -2.418 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.261 -1.049 3.282 1.00 0.00 H new ATOM 464 N LYS A 154 -11.331 -1.506 3.275 1.00 0.00 N ATOM 465 CA LYS A 154 -12.652 -0.980 2.942 1.00 0.00 C ATOM 466 C LYS A 154 -13.071 -1.352 1.518 1.00 0.00 C ATOM 467 O LYS A 154 -13.786 -2.334 1.314 1.00 0.00 O ATOM 468 CB LYS A 154 -12.678 0.542 3.131 1.00 0.00 C ATOM 469 CG LYS A 154 -14.082 1.125 3.176 1.00 0.00 C ATOM 470 CD LYS A 154 -14.446 1.595 4.577 1.00 0.00 C ATOM 471 CE LYS A 154 -14.023 3.038 4.810 1.00 0.00 C ATOM 472 NZ LYS A 154 -13.171 3.178 6.024 1.00 0.00 N ATOM 0 H LYS A 154 -11.312 -2.084 4.115 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.372 -1.436 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.159 0.794 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.125 1.011 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.152 1.962 2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.800 0.374 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.522 1.502 4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -13.966 0.951 5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.477 3.401 3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.909 3.664 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -12.904 4.176 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -13.701 2.855 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -12.313 2.601 5.914 1.00 0.00 H new ATOM 486 N ASN A 155 -12.632 -0.567 0.535 1.00 0.00 N ATOM 487 CA ASN A 155 -12.977 -0.827 -0.858 1.00 0.00 C ATOM 488 C ASN A 155 -11.765 -1.321 -1.639 1.00 0.00 C ATOM 489 O ASN A 155 -11.599 -1.001 -2.816 1.00 0.00 O ATOM 490 CB ASN A 155 -13.535 0.439 -1.512 1.00 0.00 C ATOM 491 CG ASN A 155 -14.604 1.102 -0.667 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.685 0.548 -0.464 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.308 2.297 -0.169 1.00 0.00 N ATOM 0 H ASN A 155 -12.039 0.251 0.679 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.739 -1.606 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.722 1.144 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.951 0.188 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -14.989 2.792 0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.400 2.719 -0.362 1.00 0.00 H new ATOM 500 N GLY A 156 -10.922 -2.103 -0.975 1.00 0.00 N ATOM 501 CA GLY A 156 -9.736 -2.632 -1.623 1.00 0.00 C ATOM 502 C GLY A 156 -8.571 -1.661 -1.589 1.00 0.00 C ATOM 503 O GLY A 156 -7.692 -1.706 -2.450 1.00 0.00 O ATOM 0 H GLY A 156 -11.038 -2.380 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.444 -3.562 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.971 -2.876 -2.659 1.00 0.00 H new ATOM 507 N ARG A 157 -8.565 -0.780 -0.594 1.00 0.00 N ATOM 508 CA ARG A 157 -7.502 0.209 -0.451 1.00 0.00 C ATOM 509 C ARG A 157 -6.273 -0.407 0.214 1.00 0.00 C ATOM 510 O ARG A 157 -6.393 -1.297 1.055 1.00 0.00 O ATOM 511 CB ARG A 157 -8.004 1.401 0.368 1.00 0.00 C ATOM 512 CG ARG A 157 -6.946 2.459 0.627 1.00 0.00 C ATOM 513 CD ARG A 157 -7.538 3.683 1.306 1.00 0.00 C ATOM 514 NE ARG A 157 -8.072 4.641 0.339 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.985 5.563 0.633 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.466 5.664 1.866 1.00 0.00 N ATOM 517 NH2 ARG A 157 -9.417 6.391 -0.308 1.00 0.00 N ATOM 0 H ARG A 157 -9.285 -0.731 0.126 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.215 0.554 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.843 1.861 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.383 1.039 1.324 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.157 2.041 1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.484 2.752 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.332 3.372 1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.772 4.168 1.912 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.724 4.600 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.136 5.032 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.166 6.373 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -9.049 6.321 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -10.117 7.098 -0.083 1.00 0.00 H new ATOM 531 N VAL A 158 -5.092 0.069 -0.174 1.00 0.00 N ATOM 532 CA VAL A 158 -3.847 -0.444 0.382 1.00 0.00 C ATOM 533 C VAL A 158 -3.542 0.188 1.734 1.00 0.00 C ATOM 534 O VAL A 158 -3.599 1.407 1.897 1.00 0.00 O ATOM 535 CB VAL A 158 -2.653 -0.209 -0.573 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.324 -0.415 0.142 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.744 -1.131 -1.774 1.00 0.00 C ATOM 0 H VAL A 158 -4.973 0.806 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 158 -3.984 -1.517 0.512 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.700 0.825 -0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.505 -0.243 -0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.246 0.285 0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.269 -1.436 0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.896 -0.952 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.730 -2.168 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.671 -0.936 -2.313 1.00 0.00 H new ATOM 547 N LEU A 159 -3.205 -0.661 2.693 1.00 0.00 N ATOM 548 CA LEU A 159 -2.868 -0.218 4.036 1.00 0.00 C ATOM 549 C LEU A 159 -1.377 -0.394 4.282 1.00 0.00 C ATOM 550 O LEU A 159 -0.702 -1.104 3.538 1.00 0.00 O ATOM 551 CB LEU A 159 -3.661 -1.027 5.062 1.00 0.00 C ATOM 552 CG LEU A 159 -5.171 -0.766 5.079 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.794 -1.323 6.348 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.467 0.722 4.946 1.00 0.00 C ATOM 0 H LEU A 159 -3.158 -1.672 2.563 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.123 0.837 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.495 -2.087 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.262 -0.815 6.054 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.613 -1.277 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.866 -1.128 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.621 -2.398 6.397 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.343 -0.843 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.545 0.881 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.009 1.260 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.058 1.092 4.005 1.00 0.00 H new ATOM 566 N LYS A 160 -0.856 0.235 5.330 1.00 0.00 N ATOM 567 CA LYS A 160 0.561 0.101 5.641 1.00 0.00 C ATOM 568 C LYS A 160 0.909 -1.372 5.799 1.00 0.00 C ATOM 569 O LYS A 160 2.012 -1.803 5.462 1.00 0.00 O ATOM 570 CB LYS A 160 0.922 0.871 6.911 1.00 0.00 C ATOM 571 CG LYS A 160 2.420 0.947 7.165 1.00 0.00 C ATOM 572 CD LYS A 160 2.911 2.387 7.183 1.00 0.00 C ATOM 573 CE LYS A 160 4.140 2.546 8.063 1.00 0.00 C ATOM 574 NZ LYS A 160 4.336 3.957 8.495 1.00 0.00 N ATOM 0 H LYS A 160 -1.383 0.832 5.968 1.00 0.00 H new ATOM 0 HA LYS A 160 1.139 0.525 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.521 1.882 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.440 0.396 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.653 0.470 8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.950 0.391 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.146 2.705 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.116 3.039 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.042 1.908 8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 160 5.022 2.207 7.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.184 4.022 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.455 4.563 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.506 4.273 9.036 1.00 0.00 H new ATOM 588 N GLU A 161 -0.057 -2.147 6.288 1.00 0.00 N ATOM 589 CA GLU A 161 0.132 -3.579 6.458 1.00 0.00 C ATOM 590 C GLU A 161 0.322 -4.223 5.093 1.00 0.00 C ATOM 591 O GLU A 161 1.136 -5.131 4.926 1.00 0.00 O ATOM 592 CB GLU A 161 -1.070 -4.199 7.174 1.00 0.00 C ATOM 593 CG GLU A 161 -1.386 -3.548 8.509 1.00 0.00 C ATOM 594 CD GLU A 161 -2.633 -4.119 9.156 1.00 0.00 C ATOM 595 OE1 GLU A 161 -3.516 -4.604 8.417 1.00 0.00 O ATOM 596 OE2 GLU A 161 -2.726 -4.081 10.401 1.00 0.00 O ATOM 0 H GLU A 161 -0.975 -1.805 6.572 1.00 0.00 H new ATOM 0 HA GLU A 161 1.017 -3.754 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.945 -4.126 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.879 -5.260 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.539 -3.679 9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.515 -2.475 8.364 1.00 0.00 H new ATOM 603 N ASP A 162 -0.425 -3.722 4.110 1.00 0.00 N ATOM 604 CA ASP A 162 -0.327 -4.226 2.746 1.00 0.00 C ATOM 605 C ASP A 162 1.075 -3.975 2.208 1.00 0.00 C ATOM 606 O ASP A 162 1.728 -4.879 1.686 1.00 0.00 O ATOM 607 CB ASP A 162 -1.361 -3.547 1.848 1.00 0.00 C ATOM 608 CG ASP A 162 -2.691 -4.272 1.840 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.701 -5.492 1.572 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.723 -3.621 2.104 1.00 0.00 O ATOM 0 H ASP A 162 -1.102 -2.970 4.235 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.526 -5.298 2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.512 -2.522 2.185 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.974 -3.494 0.830 1.00 0.00 H new ATOM 615 N ILE A 163 1.532 -2.737 2.358 1.00 0.00 N ATOM 616 CA ILE A 163 2.865 -2.347 1.910 1.00 0.00 C ATOM 617 C ILE A 163 3.918 -3.288 2.480 1.00 0.00 C ATOM 618 O ILE A 163 4.737 -3.842 1.747 1.00 0.00 O ATOM 619 CB ILE A 163 3.216 -0.911 2.355 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.102 0.062 1.977 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.545 -0.471 1.745 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.784 0.057 0.507 1.00 0.00 C ATOM 0 H ILE A 163 0.997 -1.983 2.788 1.00 0.00 H new ATOM 0 HA ILE A 163 2.859 -2.398 0.821 1.00 0.00 H new ATOM 0 HB ILE A 163 3.317 -0.906 3.440 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.202 -0.191 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.391 1.069 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.776 0.544 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.336 -1.146 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.472 -0.496 0.658 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.984 0.770 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.672 0.339 -0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.464 -0.941 0.207 1.00 0.00 H new ATOM 634 N ASP A 164 3.884 -3.464 3.796 1.00 0.00 N ATOM 635 CA ASP A 164 4.829 -4.337 4.474 1.00 0.00 C ATOM 636 C ASP A 164 4.704 -5.768 3.960 1.00 0.00 C ATOM 637 O ASP A 164 5.705 -6.429 3.680 1.00 0.00 O ATOM 638 CB ASP A 164 4.598 -4.303 5.985 1.00 0.00 C ATOM 639 CG ASP A 164 5.835 -4.698 6.769 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.221 -5.884 6.711 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.418 -3.819 7.439 1.00 0.00 O ATOM 0 H ASP A 164 3.210 -3.012 4.414 1.00 0.00 H new ATOM 0 HA ASP A 164 5.836 -3.977 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.289 -3.300 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.780 -4.976 6.240 1.00 0.00 H new ATOM 646 N ALA A 165 3.465 -6.239 3.836 1.00 0.00 N ATOM 647 CA ALA A 165 3.203 -7.589 3.352 1.00 0.00 C ATOM 648 C ALA A 165 3.738 -7.771 1.937 1.00 0.00 C ATOM 649 O ALA A 165 4.255 -8.833 1.589 1.00 0.00 O ATOM 650 CB ALA A 165 1.712 -7.887 3.397 1.00 0.00 C ATOM 0 H ALA A 165 2.627 -5.704 4.065 1.00 0.00 H new ATOM 0 HA ALA A 165 3.720 -8.292 4.005 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.532 -8.898 3.033 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.355 -7.802 4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.179 -7.174 2.767 1.00 0.00 H new ATOM 656 N TRP A 166 3.621 -6.723 1.129 1.00 0.00 N ATOM 657 CA TRP A 166 4.098 -6.749 -0.243 1.00 0.00 C ATOM 658 C TRP A 166 5.588 -7.060 -0.276 1.00 0.00 C ATOM 659 O TRP A 166 6.026 -8.024 -0.902 1.00 0.00 O ATOM 660 CB TRP A 166 3.834 -5.396 -0.897 1.00 0.00 C ATOM 661 CG TRP A 166 4.123 -5.366 -2.363 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.331 -5.825 -3.372 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.295 -4.840 -2.981 1.00 0.00 C ATOM 664 NE1 TRP A 166 3.946 -5.612 -4.584 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.154 -5.009 -4.368 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.449 -4.240 -2.490 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.129 -4.600 -5.272 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.420 -3.832 -3.384 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.255 -4.012 -4.763 1.00 0.00 C ATOM 0 H TRP A 166 3.195 -5.839 1.407 1.00 0.00 H new ATOM 0 HA TRP A 166 3.568 -7.527 -0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.791 -5.123 -0.736 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.442 -4.639 -0.401 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.364 -6.287 -3.240 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.563 -5.863 -5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.584 -4.095 -1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 6.002 -4.741 -6.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.321 -3.367 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 166 8.031 -3.681 -5.437 1.00 0.00 H new ATOM 680 N LEU A 167 6.356 -6.229 0.415 1.00 0.00 N ATOM 681 CA LEU A 167 7.803 -6.397 0.488 1.00 0.00 C ATOM 682 C LEU A 167 8.163 -7.735 1.125 1.00 0.00 C ATOM 683 O LEU A 167 9.181 -8.340 0.788 1.00 0.00 O ATOM 684 CB LEU A 167 8.425 -5.250 1.287 1.00 0.00 C ATOM 685 CG LEU A 167 8.153 -3.858 0.720 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.158 -2.812 1.821 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.174 -3.513 -0.351 1.00 0.00 C ATOM 0 H LEU A 167 6.000 -5.428 0.936 1.00 0.00 H new ATOM 0 HA LEU A 167 8.201 -6.383 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.049 -5.291 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.503 -5.403 1.338 1.00 0.00 H new ATOM 0 HG LEU A 167 7.162 -3.863 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.962 -1.830 1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.385 -3.049 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 167 9.131 -2.805 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 167 8.966 -2.518 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.175 -3.531 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.115 -4.243 -1.159 1.00 0.00 H new ATOM 699 N ALA A 168 7.321 -8.193 2.046 1.00 0.00 N ATOM 700 CA ALA A 168 7.550 -9.461 2.728 1.00 0.00 C ATOM 701 C ALA A 168 7.294 -10.641 1.796 1.00 0.00 C ATOM 702 O ALA A 168 7.839 -11.728 1.991 1.00 0.00 O ATOM 703 CB ALA A 168 6.667 -9.564 3.963 1.00 0.00 C ATOM 0 H ALA A 168 6.474 -7.705 2.337 1.00 0.00 H new ATOM 0 HA ALA A 168 8.595 -9.494 3.036 1.00 0.00 H new ATOM 0 HB1 ALA A 168 6.849 -10.516 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 168 6.899 -8.746 4.645 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.620 -9.504 3.667 1.00 0.00 H new ATOM 709 N GLY A 169 6.461 -10.420 0.783 1.00 0.00 N ATOM 710 CA GLY A 169 6.147 -11.477 -0.162 1.00 0.00 C ATOM 711 C GLY A 169 4.676 -11.842 -0.156 1.00 0.00 C ATOM 712 O GLY A 169 4.137 -12.295 -1.166 1.00 0.00 O ATOM 0 H GLY A 169 5.999 -9.529 0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.436 -11.161 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 169 6.738 -12.361 0.077 1.00 0.00 H new ATOM 716 N GLY A 170 4.025 -11.645 0.985 1.00 0.00 N ATOM 717 CA GLY A 170 2.613 -11.961 1.098 1.00 0.00 C ATOM 718 C GLY A 170 2.354 -13.130 2.028 1.00 0.00 C ATOM 719 O GLY A 170 1.434 -13.925 1.741 1.00 0.00 O ATOM 720 OXT GLY A 170 3.071 -13.253 3.043 1.00 0.00 O ATOM 0 H GLY A 170 4.450 -11.272 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 170 2.076 -11.085 1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 170 2.215 -12.192 0.110 1.00 0.00 H new TER 724 GLY A 170