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= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 132 MET CE :methyl -137:sc= -2.73 (180deg=-7.93!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 152 THR OG1 : rot -76:sc= 0.182 USER MOD Single : A 154 LYS NZ :NH3+ 144:sc= -0.196 (180deg=-1.2!) USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 12.325 4.760 13.705 1.00 0.00 N ATOM 2 CA ASN A 126 12.624 4.052 12.433 1.00 0.00 C ATOM 3 C ASN A 126 11.412 3.268 11.937 1.00 0.00 C ATOM 4 O ASN A 126 11.553 2.222 11.306 1.00 0.00 O ATOM 5 CB ASN A 126 13.802 3.105 12.668 1.00 0.00 C ATOM 6 CG ASN A 126 14.707 2.994 11.456 1.00 0.00 C ATOM 7 OD1 ASN A 126 14.706 3.863 10.585 1.00 0.00 O ATOM 8 ND2 ASN A 126 15.484 1.919 11.396 1.00 0.00 N ATOM 0 HA ASN A 126 12.876 4.786 11.667 1.00 0.00 H new ATOM 0 HB2 ASN A 126 14.383 3.457 13.520 1.00 0.00 H new ATOM 0 HB3 ASN A 126 13.423 2.116 12.927 1.00 0.00 H new ATOM 0 HD21 ASN A 126 16.114 1.788 10.604 1.00 0.00 H new ATOM 0 HD22 ASN A 126 15.451 1.224 12.142 1.00 0.00 H new ATOM 17 N ARG A 127 10.220 3.784 12.225 1.00 0.00 N ATOM 18 CA ARG A 127 8.984 3.133 11.806 1.00 0.00 C ATOM 19 C ARG A 127 8.118 4.092 10.994 1.00 0.00 C ATOM 20 O ARG A 127 7.058 4.525 11.446 1.00 0.00 O ATOM 21 CB ARG A 127 8.208 2.632 13.027 1.00 0.00 C ATOM 22 CG ARG A 127 8.777 1.358 13.631 1.00 0.00 C ATOM 23 CD ARG A 127 8.272 1.137 15.049 1.00 0.00 C ATOM 24 NE ARG A 127 8.972 0.041 15.716 1.00 0.00 N ATOM 25 CZ ARG A 127 8.511 -0.583 16.799 1.00 0.00 C ATOM 26 NH1 ARG A 127 7.350 -0.229 17.333 1.00 0.00 N ATOM 27 NH2 ARG A 127 9.214 -1.565 17.346 1.00 0.00 N ATOM 0 H ARG A 127 10.085 4.650 12.746 1.00 0.00 H new ATOM 0 HA ARG A 127 9.242 2.282 11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 127 8.201 3.413 13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.171 2.456 12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 127 8.503 0.506 13.009 1.00 0.00 H new ATOM 0 HG3 ARG A 127 9.866 1.412 13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.400 2.053 15.626 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.204 0.923 15.024 1.00 0.00 H new ATOM 0 HE ARG A 127 9.865 -0.264 15.330 1.00 0.00 H new ATOM 0 HH11 ARG A 127 6.805 0.525 16.914 1.00 0.00 H new ATOM 0 HH12 ARG A 127 7.002 -0.710 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.107 -1.842 16.938 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.862 -2.044 18.175 1.00 0.00 H new ATOM 41 N ARG A 128 8.581 4.424 9.792 1.00 0.00 N ATOM 42 CA ARG A 128 7.853 5.337 8.917 1.00 0.00 C ATOM 43 C ARG A 128 7.256 4.591 7.727 1.00 0.00 C ATOM 44 O ARG A 128 7.891 3.705 7.153 1.00 0.00 O ATOM 45 CB ARG A 128 8.780 6.448 8.421 1.00 0.00 C ATOM 46 CG ARG A 128 9.164 7.448 9.501 1.00 0.00 C ATOM 47 CD ARG A 128 8.165 8.592 9.581 1.00 0.00 C ATOM 48 NE ARG A 128 7.239 8.432 10.701 1.00 0.00 N ATOM 49 CZ ARG A 128 6.326 9.339 11.042 1.00 0.00 C ATOM 50 NH1 ARG A 128 6.213 10.469 10.356 1.00 0.00 N ATOM 51 NH2 ARG A 128 5.522 9.113 12.073 1.00 0.00 N ATOM 0 H ARG A 128 9.456 4.075 9.402 1.00 0.00 H new ATOM 0 HA ARG A 128 7.039 5.779 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.686 5.999 8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 128 8.292 6.978 7.603 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.217 6.942 10.465 1.00 0.00 H new ATOM 0 HG3 ARG A 128 10.158 7.845 9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 128 8.701 9.535 9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.602 8.647 8.650 1.00 0.00 H new ATOM 0 HE ARG A 128 7.296 7.576 11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 128 6.828 10.647 9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 128 5.511 11.160 10.623 1.00 0.00 H new ATOM 0 HH21 ARG A 128 5.604 8.245 12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.822 9.807 12.336 1.00 0.00 H new ATOM 65 N VAL A 129 6.032 4.957 7.358 1.00 0.00 N ATOM 66 CA VAL A 129 5.352 4.325 6.234 1.00 0.00 C ATOM 67 C VAL A 129 5.647 5.062 4.932 1.00 0.00 C ATOM 68 O VAL A 129 5.450 6.273 4.835 1.00 0.00 O ATOM 69 CB VAL A 129 3.826 4.280 6.447 1.00 0.00 C ATOM 70 CG1 VAL A 129 3.165 3.405 5.393 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.492 3.782 7.846 1.00 0.00 C ATOM 0 H VAL A 129 5.492 5.688 7.821 1.00 0.00 H new ATOM 0 HA VAL A 129 5.731 3.305 6.170 1.00 0.00 H new ATOM 0 HB VAL A 129 3.436 5.293 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.088 3.385 5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.372 3.810 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.561 2.392 5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.410 3.758 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.896 2.779 7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.931 4.452 8.585 1.00 0.00 H new ATOM 81 N ILE A 130 6.120 4.324 3.932 1.00 0.00 N ATOM 82 CA ILE A 130 6.441 4.910 2.636 1.00 0.00 C ATOM 83 C ILE A 130 5.574 4.310 1.534 1.00 0.00 C ATOM 84 O ILE A 130 5.488 3.091 1.392 1.00 0.00 O ATOM 85 CB ILE A 130 7.925 4.699 2.276 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.827 5.164 3.421 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.270 5.437 0.992 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.998 4.241 3.679 1.00 0.00 C ATOM 0 H ILE A 130 6.289 3.320 3.995 1.00 0.00 H new ATOM 0 HA ILE A 130 6.241 5.979 2.713 1.00 0.00 H new ATOM 0 HB ILE A 130 8.093 3.634 2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.204 6.161 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.232 5.247 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.321 5.278 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.651 5.060 0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.086 6.503 1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.595 4.632 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.629 3.248 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.615 4.177 2.783 1.00 0.00 H new ATOM 100 N ALA A 131 4.934 5.176 0.753 1.00 0.00 N ATOM 101 CA ALA A 131 4.077 4.731 -0.340 1.00 0.00 C ATOM 102 C ALA A 131 3.659 5.904 -1.223 1.00 0.00 C ATOM 103 O ALA A 131 3.555 7.038 -0.757 1.00 0.00 O ATOM 104 CB ALA A 131 2.852 4.014 0.207 1.00 0.00 C ATOM 0 H ALA A 131 4.993 6.189 0.857 1.00 0.00 H new ATOM 0 HA ALA A 131 4.646 4.034 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.222 3.688 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.167 3.147 0.787 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.288 4.693 0.847 1.00 0.00 H new ATOM 110 N MET A 132 3.420 5.621 -2.500 1.00 0.00 N ATOM 111 CA MET A 132 3.013 6.655 -3.446 1.00 0.00 C ATOM 112 C MET A 132 1.553 7.049 -3.228 1.00 0.00 C ATOM 113 O MET A 132 0.789 6.312 -2.604 1.00 0.00 O ATOM 114 CB MET A 132 3.213 6.168 -4.883 1.00 0.00 C ATOM 115 CG MET A 132 4.601 6.454 -5.433 1.00 0.00 C ATOM 116 SD MET A 132 5.209 5.132 -6.498 1.00 0.00 S ATOM 117 CE MET A 132 5.079 3.724 -5.397 1.00 0.00 C ATOM 0 H MET A 132 3.501 4.687 -2.903 1.00 0.00 H new ATOM 0 HA MET A 132 3.636 7.533 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 132 3.029 5.094 -4.923 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.471 6.643 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.580 7.388 -5.995 1.00 0.00 H new ATOM 0 HG3 MET A 132 5.294 6.596 -4.604 1.00 0.00 H new ATOM 0 HE1 MET A 132 5.974 3.108 -5.487 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.981 4.074 -4.369 1.00 0.00 H new ATOM 0 HE3 MET A 132 4.203 3.133 -5.664 1.00 0.00 H new ATOM 127 N PRO A 133 1.145 8.222 -3.745 1.00 0.00 N ATOM 128 CA PRO A 133 -0.230 8.709 -3.605 1.00 0.00 C ATOM 129 C PRO A 133 -1.240 7.773 -4.259 1.00 0.00 C ATOM 130 O PRO A 133 -2.390 7.685 -3.827 1.00 0.00 O ATOM 131 CB PRO A 133 -0.214 10.066 -4.320 1.00 0.00 C ATOM 132 CG PRO A 133 0.980 10.021 -5.210 1.00 0.00 C ATOM 133 CD PRO A 133 1.987 9.160 -4.505 1.00 0.00 C ATOM 0 HA PRO A 133 -0.532 8.774 -2.560 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -1.128 10.220 -4.894 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.143 10.887 -3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 133 0.725 9.605 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 133 1.375 11.022 -5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.637 8.640 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 133 2.631 9.746 -3.850 1.00 0.00 H new ATOM 141 N SER A 134 -0.802 7.074 -5.300 1.00 0.00 N ATOM 142 CA SER A 134 -1.666 6.141 -6.012 1.00 0.00 C ATOM 143 C SER A 134 -2.026 4.956 -5.121 1.00 0.00 C ATOM 144 O SER A 134 -3.148 4.453 -5.162 1.00 0.00 O ATOM 145 CB SER A 134 -0.982 5.647 -7.287 1.00 0.00 C ATOM 146 OG SER A 134 0.303 5.118 -7.005 1.00 0.00 O ATOM 0 H SER A 134 0.147 7.136 -5.669 1.00 0.00 H new ATOM 0 HA SER A 134 -2.582 6.665 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.598 4.882 -7.761 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.892 6.469 -7.997 1.00 0.00 H new ATOM 0 HG SER A 134 0.719 4.807 -7.836 1.00 0.00 H new ATOM 152 N VAL A 135 -1.063 4.518 -4.315 1.00 0.00 N ATOM 153 CA VAL A 135 -1.277 3.394 -3.413 1.00 0.00 C ATOM 154 C VAL A 135 -2.133 3.809 -2.223 1.00 0.00 C ATOM 155 O VAL A 135 -3.096 3.129 -1.874 1.00 0.00 O ATOM 156 CB VAL A 135 0.057 2.814 -2.912 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.177 1.585 -2.045 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.955 2.478 -4.092 1.00 0.00 C ATOM 0 H VAL A 135 -0.129 4.925 -4.269 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.800 2.622 -3.977 1.00 0.00 H new ATOM 0 HB VAL A 135 0.553 3.566 -2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.781 1.193 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.786 1.858 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.694 0.822 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.897 2.068 -3.727 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.461 1.743 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 135 1.152 3.382 -4.668 1.00 0.00 H new ATOM 168 N ARG A 136 -1.784 4.935 -1.613 1.00 0.00 N ATOM 169 CA ARG A 136 -2.538 5.441 -0.473 1.00 0.00 C ATOM 170 C ARG A 136 -3.991 5.653 -0.871 1.00 0.00 C ATOM 171 O ARG A 136 -4.910 5.221 -0.176 1.00 0.00 O ATOM 172 CB ARG A 136 -1.936 6.754 0.031 1.00 0.00 C ATOM 173 CG ARG A 136 -0.905 6.566 1.131 1.00 0.00 C ATOM 174 CD ARG A 136 -1.501 6.818 2.509 1.00 0.00 C ATOM 175 NE ARG A 136 -0.619 7.626 3.348 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.874 7.928 4.619 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.984 7.491 5.202 1.00 0.00 N ATOM 178 NH2 ARG A 136 -0.018 8.669 5.311 1.00 0.00 N ATOM 0 H ARG A 136 -0.989 5.512 -1.886 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.488 4.708 0.332 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.472 7.276 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.737 7.394 0.401 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.506 5.553 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.069 7.245 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.461 7.322 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.695 5.864 3.000 1.00 0.00 H new ATOM 0 HE ARG A 136 0.244 7.980 2.935 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -2.646 6.921 4.676 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.175 7.725 6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.837 9.008 4.869 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.215 8.900 6.285 1.00 0.00 H new ATOM 192 N LYS A 137 -4.183 6.304 -2.010 1.00 0.00 N ATOM 193 CA LYS A 137 -5.518 6.559 -2.529 1.00 0.00 C ATOM 194 C LYS A 137 -6.225 5.235 -2.807 1.00 0.00 C ATOM 195 O LYS A 137 -7.408 5.073 -2.503 1.00 0.00 O ATOM 196 CB LYS A 137 -5.439 7.407 -3.807 1.00 0.00 C ATOM 197 CG LYS A 137 -6.665 7.299 -4.702 1.00 0.00 C ATOM 198 CD LYS A 137 -6.526 8.168 -5.942 1.00 0.00 C ATOM 199 CE LYS A 137 -7.239 7.556 -7.138 1.00 0.00 C ATOM 200 NZ LYS A 137 -8.518 8.255 -7.438 1.00 0.00 N ATOM 0 H LYS A 137 -3.428 6.666 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.090 7.114 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.297 8.451 -3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -4.559 7.106 -4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -6.810 6.260 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -7.552 7.598 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -6.936 9.158 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -5.470 8.302 -6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -6.588 7.600 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -7.438 6.502 -6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -8.973 7.808 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -9.150 8.191 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.326 9.255 -7.650 1.00 0.00 H new ATOM 214 N TRP A 138 -5.485 4.287 -3.376 1.00 0.00 N ATOM 215 CA TRP A 138 -6.033 2.973 -3.683 1.00 0.00 C ATOM 216 C TRP A 138 -6.515 2.295 -2.406 1.00 0.00 C ATOM 217 O TRP A 138 -7.628 1.772 -2.347 1.00 0.00 O ATOM 218 CB TRP A 138 -4.973 2.121 -4.386 1.00 0.00 C ATOM 219 CG TRP A 138 -5.320 0.667 -4.470 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.683 -0.361 -3.842 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.383 0.079 -5.229 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.282 -1.555 -4.163 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.328 -1.311 -5.013 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.374 0.592 -6.069 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.228 -2.192 -5.608 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.266 -0.283 -6.658 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.187 -1.662 -6.426 1.00 0.00 C ATOM 0 H TRP A 138 -4.505 4.406 -3.633 1.00 0.00 H new ATOM 0 HA TRP A 138 -6.886 3.085 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.821 2.507 -5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.026 2.228 -3.857 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.831 -0.253 -3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -4.995 -2.473 -3.824 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.442 1.654 -6.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.170 -3.256 -5.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -9.037 0.103 -7.308 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.898 -2.320 -6.903 1.00 0.00 H new ATOM 238 N ALA A 139 -5.676 2.327 -1.381 1.00 0.00 N ATOM 239 CA ALA A 139 -6.020 1.736 -0.099 1.00 0.00 C ATOM 240 C ALA A 139 -7.261 2.410 0.471 1.00 0.00 C ATOM 241 O ALA A 139 -8.218 1.746 0.861 1.00 0.00 O ATOM 242 CB ALA A 139 -4.850 1.862 0.866 1.00 0.00 C ATOM 0 H ALA A 139 -4.752 2.757 -1.414 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.237 0.677 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.119 1.416 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.983 1.345 0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.610 2.915 1.011 1.00 0.00 H new ATOM 248 N ARG A 140 -7.241 3.739 0.505 1.00 0.00 N ATOM 249 CA ARG A 140 -8.366 4.510 1.019 1.00 0.00 C ATOM 250 C ARG A 140 -9.664 4.128 0.310 1.00 0.00 C ATOM 251 O ARG A 140 -10.737 4.148 0.912 1.00 0.00 O ATOM 252 CB ARG A 140 -8.104 6.008 0.850 1.00 0.00 C ATOM 253 CG ARG A 140 -7.021 6.544 1.772 1.00 0.00 C ATOM 254 CD ARG A 140 -7.367 7.930 2.296 1.00 0.00 C ATOM 255 NE ARG A 140 -6.607 8.978 1.618 1.00 0.00 N ATOM 256 CZ ARG A 140 -6.900 10.274 1.696 1.00 0.00 C ATOM 257 NH1 ARG A 140 -7.934 10.687 2.418 1.00 0.00 N ATOM 258 NH2 ARG A 140 -6.156 11.161 1.048 1.00 0.00 N ATOM 0 H ARG A 140 -6.456 4.305 0.182 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.473 4.281 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.819 6.204 -0.184 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.029 6.553 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -6.885 5.861 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -6.073 6.583 1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.433 8.112 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.168 7.973 3.367 1.00 0.00 H new ATOM 0 HE ARG A 140 -5.805 8.700 1.052 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -8.510 10.010 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -8.153 11.682 2.473 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -5.360 10.849 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -6.380 12.154 1.107 1.00 0.00 H new ATOM 272 N GLU A 141 -9.561 3.784 -0.972 1.00 0.00 N ATOM 273 CA GLU A 141 -10.734 3.403 -1.752 1.00 0.00 C ATOM 274 C GLU A 141 -11.154 1.966 -1.441 1.00 0.00 C ATOM 275 O GLU A 141 -12.332 1.620 -1.530 1.00 0.00 O ATOM 276 CB GLU A 141 -10.459 3.582 -3.255 1.00 0.00 C ATOM 277 CG GLU A 141 -10.073 2.305 -3.989 1.00 0.00 C ATOM 278 CD GLU A 141 -11.272 1.596 -4.590 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.939 0.833 -3.860 1.00 0.00 O ATOM 280 OE2 GLU A 141 -11.545 1.806 -5.791 1.00 0.00 O ATOM 0 H GLU A 141 -8.682 3.762 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.559 4.058 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -11.349 4.000 -3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -9.659 4.312 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -9.363 2.545 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.565 1.632 -3.298 1.00 0.00 H new ATOM 287 N LYS A 142 -10.181 1.134 -1.081 1.00 0.00 N ATOM 288 CA LYS A 142 -10.448 -0.266 -0.762 1.00 0.00 C ATOM 289 C LYS A 142 -10.684 -0.467 0.736 1.00 0.00 C ATOM 290 O LYS A 142 -10.986 -1.575 1.179 1.00 0.00 O ATOM 291 CB LYS A 142 -9.282 -1.142 -1.224 1.00 0.00 C ATOM 292 CG LYS A 142 -9.152 -1.235 -2.736 1.00 0.00 C ATOM 293 CD LYS A 142 -9.512 -2.622 -3.247 1.00 0.00 C ATOM 294 CE LYS A 142 -10.523 -2.556 -4.382 1.00 0.00 C ATOM 295 NZ LYS A 142 -10.561 -3.821 -5.167 1.00 0.00 N ATOM 0 H LYS A 142 -9.201 1.404 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.356 -0.558 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.354 -0.745 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.408 -2.145 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.802 -0.495 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -8.130 -0.993 -3.029 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -8.610 -3.129 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.920 -3.217 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -11.513 -2.352 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.273 -1.726 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -11.262 -3.735 -5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -9.623 -4.003 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.825 -4.609 -4.542 1.00 0.00 H new ATOM 309 N GLY A 143 -10.542 0.603 1.515 1.00 0.00 N ATOM 310 CA GLY A 143 -10.740 0.506 2.951 1.00 0.00 C ATOM 311 C GLY A 143 -9.479 0.092 3.686 1.00 0.00 C ATOM 312 O GLY A 143 -9.527 -0.261 4.864 1.00 0.00 O ATOM 0 H GLY A 143 -10.294 1.533 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.080 1.469 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.530 -0.216 3.157 1.00 0.00 H new ATOM 316 N VAL A 144 -8.347 0.134 2.989 1.00 0.00 N ATOM 317 CA VAL A 144 -7.068 -0.240 3.577 1.00 0.00 C ATOM 318 C VAL A 144 -6.229 0.990 3.900 1.00 0.00 C ATOM 319 O VAL A 144 -6.262 1.985 3.176 1.00 0.00 O ATOM 320 CB VAL A 144 -6.259 -1.151 2.637 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.033 -1.699 3.354 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.128 -2.283 2.116 1.00 0.00 C ATOM 0 H VAL A 144 -8.291 0.425 2.013 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.295 -0.781 4.496 1.00 0.00 H new ATOM 0 HB VAL A 144 -5.922 -0.560 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.472 -2.341 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.401 -0.872 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.348 -2.276 4.223 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.540 -2.917 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.495 -2.876 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -7.974 -1.869 1.567 1.00 0.00 H new ATOM 332 N ASP A 145 -5.475 0.910 4.988 1.00 0.00 N ATOM 333 CA ASP A 145 -4.617 2.009 5.405 1.00 0.00 C ATOM 334 C ASP A 145 -3.154 1.662 5.158 1.00 0.00 C ATOM 335 O ASP A 145 -2.645 0.674 5.681 1.00 0.00 O ATOM 336 CB ASP A 145 -4.839 2.326 6.885 1.00 0.00 C ATOM 337 CG ASP A 145 -4.282 3.679 7.278 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.196 4.042 6.778 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.931 4.376 8.085 1.00 0.00 O ATOM 0 H ASP A 145 -5.441 0.094 5.598 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.873 2.890 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -5.907 2.299 7.103 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.370 1.553 7.493 1.00 0.00 H new ATOM 344 N ILE A 146 -2.477 2.471 4.355 1.00 0.00 N ATOM 345 CA ILE A 146 -1.072 2.230 4.047 1.00 0.00 C ATOM 346 C ILE A 146 -0.253 2.018 5.322 1.00 0.00 C ATOM 347 O ILE A 146 0.786 1.356 5.307 1.00 0.00 O ATOM 348 CB ILE A 146 -0.475 3.391 3.221 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.641 2.874 2.315 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.039 4.507 4.126 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.138 2.317 1.001 1.00 0.00 C ATOM 0 H ILE A 146 -2.874 3.296 3.906 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.023 1.319 3.450 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.267 3.808 2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.341 3.685 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 146 1.196 2.098 2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.453 5.309 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.783 4.896 4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.815 4.114 4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.982 1.968 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.539 1.485 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.392 3.097 0.454 1.00 0.00 H new ATOM 363 N ARG A 147 -0.730 2.592 6.423 1.00 0.00 N ATOM 364 CA ARG A 147 -0.051 2.480 7.709 1.00 0.00 C ATOM 365 C ARG A 147 0.066 1.021 8.163 1.00 0.00 C ATOM 366 O ARG A 147 0.941 0.684 8.962 1.00 0.00 O ATOM 367 CB ARG A 147 -0.787 3.320 8.761 1.00 0.00 C ATOM 368 CG ARG A 147 -1.562 2.501 9.779 1.00 0.00 C ATOM 369 CD ARG A 147 -2.362 3.385 10.724 1.00 0.00 C ATOM 370 NE ARG A 147 -1.508 4.301 11.479 1.00 0.00 N ATOM 371 CZ ARG A 147 -1.187 5.529 11.072 1.00 0.00 C ATOM 372 NH1 ARG A 147 -1.633 5.994 9.912 1.00 0.00 N ATOM 373 NH2 ARG A 147 -0.413 6.296 11.830 1.00 0.00 N ATOM 0 H ARG A 147 -1.589 3.142 6.449 1.00 0.00 H new ATOM 0 HA ARG A 147 0.963 2.863 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -0.062 3.941 9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -1.476 3.995 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -2.236 1.820 9.260 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.869 1.887 10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -3.091 3.959 10.152 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -2.923 2.758 11.418 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.135 3.980 12.372 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -2.227 5.410 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -1.382 6.935 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.065 5.945 12.722 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.166 7.236 11.520 1.00 0.00 H new ATOM 387 N LEU A 148 -0.814 0.161 7.658 1.00 0.00 N ATOM 388 CA LEU A 148 -0.793 -1.253 8.030 1.00 0.00 C ATOM 389 C LEU A 148 -0.339 -2.130 6.868 1.00 0.00 C ATOM 390 O LEU A 148 -0.690 -3.309 6.799 1.00 0.00 O ATOM 391 CB LEU A 148 -2.172 -1.716 8.513 1.00 0.00 C ATOM 392 CG LEU A 148 -3.361 -1.098 7.780 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.588 -1.791 6.444 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.615 -1.179 8.630 1.00 0.00 C ATOM 0 H LEU A 148 -1.546 0.414 6.995 1.00 0.00 H new ATOM 0 HA LEU A 148 -0.077 -1.357 8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.228 -2.800 8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.262 -1.488 9.575 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.134 -0.048 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.439 -1.336 5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.698 -1.685 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.789 -2.849 6.612 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.450 -0.733 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.840 -2.223 8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.457 -0.639 9.564 1.00 0.00 H new ATOM 406 N VAL A 149 0.437 -1.558 5.955 1.00 0.00 N ATOM 407 CA VAL A 149 0.925 -2.307 4.804 1.00 0.00 C ATOM 408 C VAL A 149 2.443 -2.201 4.675 1.00 0.00 C ATOM 409 O VAL A 149 2.975 -1.152 4.312 1.00 0.00 O ATOM 410 CB VAL A 149 0.265 -1.824 3.497 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.693 -2.698 2.327 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.251 -1.817 3.636 1.00 0.00 C ATOM 0 H VAL A 149 0.740 -0.585 5.989 1.00 0.00 H new ATOM 0 HA VAL A 149 0.656 -3.350 4.970 1.00 0.00 H new ATOM 0 HB VAL A 149 0.596 -0.804 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.217 -2.342 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.776 -2.650 2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.393 -3.729 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.700 -1.473 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.601 -2.825 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.539 -1.147 4.446 1.00 0.00 H new ATOM 422 N GLN A 150 3.132 -3.297 4.976 1.00 0.00 N ATOM 423 CA GLN A 150 4.588 -3.332 4.893 1.00 0.00 C ATOM 424 C GLN A 150 5.043 -3.435 3.441 1.00 0.00 C ATOM 425 O GLN A 150 5.399 -4.513 2.966 1.00 0.00 O ATOM 426 CB GLN A 150 5.139 -4.510 5.701 1.00 0.00 C ATOM 427 CG GLN A 150 6.656 -4.607 5.679 1.00 0.00 C ATOM 428 CD GLN A 150 7.155 -6.009 5.970 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.808 -6.962 5.272 1.00 0.00 O ATOM 430 NE2 GLN A 150 7.977 -6.143 7.005 1.00 0.00 N ATOM 0 H GLN A 150 2.706 -4.173 5.280 1.00 0.00 H new ATOM 0 HA GLN A 150 4.976 -2.404 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.804 -4.419 6.734 1.00 0.00 H new ATOM 0 HB3 GLN A 150 4.718 -5.436 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.022 -4.290 4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 150 7.071 -3.918 6.414 1.00 0.00 H new ATOM 0 HE21 GLN A 150 8.239 -5.326 7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 150 8.346 -7.062 7.247 1.00 0.00 H new ATOM 439 N GLY A 151 5.025 -2.306 2.739 1.00 0.00 N ATOM 440 CA GLY A 151 5.435 -2.286 1.345 1.00 0.00 C ATOM 441 C GLY A 151 6.811 -2.888 1.129 1.00 0.00 C ATOM 442 O GLY A 151 7.607 -2.982 2.063 1.00 0.00 O ATOM 0 H GLY A 151 4.733 -1.402 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.706 -2.834 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.433 -1.257 0.985 1.00 0.00 H new ATOM 446 N THR A 152 7.090 -3.299 -0.106 1.00 0.00 N ATOM 447 CA THR A 152 8.378 -3.898 -0.444 1.00 0.00 C ATOM 448 C THR A 152 9.127 -3.068 -1.487 1.00 0.00 C ATOM 449 O THR A 152 10.155 -3.501 -2.010 1.00 0.00 O ATOM 450 CB THR A 152 8.178 -5.323 -0.963 1.00 0.00 C ATOM 451 OG1 THR A 152 7.221 -5.347 -2.007 1.00 0.00 O ATOM 452 CG2 THR A 152 7.717 -6.291 0.105 1.00 0.00 C ATOM 0 H THR A 152 6.441 -3.228 -0.889 1.00 0.00 H new ATOM 0 HA THR A 152 8.980 -3.923 0.465 1.00 0.00 H new ATOM 0 HB THR A 152 9.158 -5.640 -1.318 1.00 0.00 H new ATOM 0 HG1 THR A 152 6.321 -5.260 -1.628 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.595 -7.283 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.459 -6.334 0.902 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.764 -5.955 0.514 1.00 0.00 H new ATOM 460 N GLY A 153 8.611 -1.880 -1.793 1.00 0.00 N ATOM 461 CA GLY A 153 9.253 -1.027 -2.778 1.00 0.00 C ATOM 462 C GLY A 153 10.637 -0.577 -2.349 1.00 0.00 C ATOM 463 O GLY A 153 10.790 0.490 -1.757 1.00 0.00 O ATOM 0 H GLY A 153 7.763 -1.494 -1.378 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.327 -1.563 -3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.629 -0.151 -2.956 1.00 0.00 H new ATOM 467 N LYS A 154 11.643 -1.394 -2.653 1.00 0.00 N ATOM 468 CA LYS A 154 13.029 -1.084 -2.303 1.00 0.00 C ATOM 469 C LYS A 154 13.178 -0.829 -0.804 1.00 0.00 C ATOM 470 O LYS A 154 13.585 -1.717 -0.054 1.00 0.00 O ATOM 471 CB LYS A 154 13.527 0.126 -3.103 1.00 0.00 C ATOM 472 CG LYS A 154 14.777 -0.160 -3.920 1.00 0.00 C ATOM 473 CD LYS A 154 14.549 -1.284 -4.920 1.00 0.00 C ATOM 474 CE LYS A 154 14.494 -0.760 -6.346 1.00 0.00 C ATOM 475 NZ LYS A 154 15.692 0.058 -6.684 1.00 0.00 N ATOM 0 H LYS A 154 11.524 -2.280 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 154 13.640 -1.949 -2.559 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.734 0.461 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.732 0.947 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 154 15.080 0.743 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 154 15.596 -0.427 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 154 15.350 -2.018 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 154 13.617 -1.798 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 154 14.420 -1.599 -7.038 1.00 0.00 H new ATOM 0 HE3 LYS A 154 13.595 -0.158 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 15.955 -0.105 -7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 15.475 1.066 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 16.484 -0.214 -6.067 1.00 0.00 H new ATOM 489 N ASN A 155 12.843 0.383 -0.370 1.00 0.00 N ATOM 490 CA ASN A 155 12.938 0.744 1.039 1.00 0.00 C ATOM 491 C ASN A 155 11.655 0.385 1.787 1.00 0.00 C ATOM 492 O ASN A 155 11.525 0.666 2.978 1.00 0.00 O ATOM 493 CB ASN A 155 13.225 2.240 1.184 1.00 0.00 C ATOM 494 CG ASN A 155 14.366 2.699 0.296 1.00 0.00 C ATOM 495 OD1 ASN A 155 15.516 2.308 0.494 1.00 0.00 O ATOM 496 ND2 ASN A 155 14.052 3.533 -0.688 1.00 0.00 N ATOM 0 H ASN A 155 12.503 1.131 -0.975 1.00 0.00 H new ATOM 0 HA ASN A 155 13.760 0.177 1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 155 12.326 2.805 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 155 13.466 2.462 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 155 14.778 3.876 -1.317 1.00 0.00 H new ATOM 0 HD22 ASN A 155 13.085 3.831 -0.815 1.00 0.00 H new ATOM 503 N GLY A 156 10.711 -0.239 1.085 1.00 0.00 N ATOM 504 CA GLY A 156 9.458 -0.621 1.708 1.00 0.00 C ATOM 505 C GLY A 156 8.280 0.183 1.192 1.00 0.00 C ATOM 506 O GLY A 156 7.281 0.352 1.892 1.00 0.00 O ATOM 0 H GLY A 156 10.793 -0.485 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.276 -1.681 1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.538 -0.489 2.787 1.00 0.00 H new ATOM 510 N ARG A 157 8.396 0.681 -0.035 1.00 0.00 N ATOM 511 CA ARG A 157 7.333 1.472 -0.642 1.00 0.00 C ATOM 512 C ARG A 157 6.153 0.587 -1.038 1.00 0.00 C ATOM 513 O ARG A 157 6.268 -0.250 -1.932 1.00 0.00 O ATOM 514 CB ARG A 157 7.858 2.222 -1.868 1.00 0.00 C ATOM 515 CG ARG A 157 7.689 3.729 -1.774 1.00 0.00 C ATOM 516 CD ARG A 157 7.816 4.394 -3.136 1.00 0.00 C ATOM 517 NE ARG A 157 9.213 4.596 -3.516 1.00 0.00 N ATOM 518 CZ ARG A 157 9.653 5.641 -4.220 1.00 0.00 C ATOM 519 NH1 ARG A 157 8.809 6.580 -4.642 1.00 0.00 N ATOM 520 NH2 ARG A 157 10.943 5.746 -4.508 1.00 0.00 N ATOM 0 H ARG A 157 9.216 0.550 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 157 6.989 2.197 0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.915 1.990 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.338 1.861 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.714 3.960 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.439 4.138 -1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.321 3.779 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 157 7.302 5.355 -3.120 1.00 0.00 H new ATOM 0 HE ARG A 157 9.894 3.895 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 157 7.815 6.505 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.157 7.374 -5.179 1.00 0.00 H new ATOM 0 HH21 ARG A 157 11.596 5.029 -4.192 1.00 0.00 H new ATOM 0 HH22 ARG A 157 11.282 6.544 -5.046 1.00 0.00 H new ATOM 534 N VAL A 158 5.021 0.780 -0.367 1.00 0.00 N ATOM 535 CA VAL A 158 3.822 0.003 -0.653 1.00 0.00 C ATOM 536 C VAL A 158 3.263 0.344 -2.031 1.00 0.00 C ATOM 537 O VAL A 158 2.767 1.449 -2.254 1.00 0.00 O ATOM 538 CB VAL A 158 2.730 0.242 0.407 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.534 -0.665 0.162 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.289 0.028 1.806 1.00 0.00 C ATOM 0 H VAL A 158 4.910 1.468 0.378 1.00 0.00 H new ATOM 0 HA VAL A 158 4.113 -1.047 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 158 2.394 1.276 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.775 -0.480 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.118 -0.460 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.851 -1.707 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.504 0.201 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.655 -0.995 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.110 0.724 1.980 1.00 0.00 H new ATOM 550 N LEU A 159 3.350 -0.610 -2.952 1.00 0.00 N ATOM 551 CA LEU A 159 2.854 -0.413 -4.309 1.00 0.00 C ATOM 552 C LEU A 159 1.490 -1.073 -4.489 1.00 0.00 C ATOM 553 O LEU A 159 0.986 -1.736 -3.582 1.00 0.00 O ATOM 554 CB LEU A 159 3.844 -0.986 -5.328 1.00 0.00 C ATOM 555 CG LEU A 159 5.321 -0.846 -4.951 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.165 -1.854 -5.718 1.00 0.00 C ATOM 557 CD2 LEU A 159 5.806 0.570 -5.221 1.00 0.00 C ATOM 0 H LEU A 159 3.760 -1.529 -2.783 1.00 0.00 H new ATOM 0 HA LEU A 159 2.749 0.659 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.621 -2.043 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.682 -0.492 -6.286 1.00 0.00 H new ATOM 0 HG LEU A 159 5.426 -1.050 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.212 -1.740 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 159 5.833 -2.864 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.055 -1.681 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 159 6.858 0.653 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.687 0.800 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.221 1.274 -4.629 1.00 0.00 H new ATOM 569 N LYS A 160 0.901 -0.891 -5.668 1.00 0.00 N ATOM 570 CA LYS A 160 -0.402 -1.474 -5.969 1.00 0.00 C ATOM 571 C LYS A 160 -0.382 -2.983 -5.744 1.00 0.00 C ATOM 572 O LYS A 160 -1.394 -3.581 -5.376 1.00 0.00 O ATOM 573 CB LYS A 160 -0.803 -1.165 -7.412 1.00 0.00 C ATOM 574 CG LYS A 160 -2.271 -0.800 -7.571 1.00 0.00 C ATOM 575 CD LYS A 160 -2.930 -1.597 -8.687 1.00 0.00 C ATOM 576 CE LYS A 160 -3.137 -3.050 -8.289 1.00 0.00 C ATOM 577 NZ LYS A 160 -4.515 -3.519 -8.600 1.00 0.00 N ATOM 0 H LYS A 160 1.305 -0.345 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 160 -1.137 -1.032 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.191 -0.343 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -0.583 -2.032 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -2.796 -0.984 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.360 0.266 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -3.891 -1.147 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -2.312 -1.549 -9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -2.414 -3.676 -8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.946 -3.165 -7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -4.627 -4.503 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -5.206 -2.917 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.677 -3.465 -9.626 1.00 0.00 H new ATOM 591 N GLU A 161 0.781 -3.589 -5.959 1.00 0.00 N ATOM 592 CA GLU A 161 0.940 -5.026 -5.774 1.00 0.00 C ATOM 593 C GLU A 161 0.890 -5.384 -4.293 1.00 0.00 C ATOM 594 O GLU A 161 0.396 -6.448 -3.917 1.00 0.00 O ATOM 595 CB GLU A 161 2.263 -5.497 -6.381 1.00 0.00 C ATOM 596 CG GLU A 161 2.469 -7.001 -6.298 1.00 0.00 C ATOM 597 CD GLU A 161 3.458 -7.512 -7.327 1.00 0.00 C ATOM 598 OE1 GLU A 161 3.324 -7.141 -8.513 1.00 0.00 O ATOM 599 OE2 GLU A 161 4.365 -8.282 -6.949 1.00 0.00 O ATOM 0 H GLU A 161 1.627 -3.107 -6.262 1.00 0.00 H new ATOM 0 HA GLU A 161 0.118 -5.530 -6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 161 2.303 -5.190 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 161 3.086 -4.997 -5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.822 -7.261 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 161 1.512 -7.503 -6.439 1.00 0.00 H new ATOM 606 N ASP A 162 1.402 -4.486 -3.456 1.00 0.00 N ATOM 607 CA ASP A 162 1.412 -4.704 -2.016 1.00 0.00 C ATOM 608 C ASP A 162 -0.001 -4.630 -1.456 1.00 0.00 C ATOM 609 O ASP A 162 -0.421 -5.498 -0.690 1.00 0.00 O ATOM 610 CB ASP A 162 2.304 -3.670 -1.327 1.00 0.00 C ATOM 611 CG ASP A 162 3.780 -3.967 -1.506 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.167 -5.148 -1.384 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.550 -3.018 -1.767 1.00 0.00 O ATOM 0 H ASP A 162 1.815 -3.601 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 162 1.813 -5.699 -1.822 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.084 -2.680 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.068 -3.643 -0.263 1.00 0.00 H new ATOM 618 N ILE A 163 -0.736 -3.594 -1.846 1.00 0.00 N ATOM 619 CA ILE A 163 -2.106 -3.420 -1.384 1.00 0.00 C ATOM 620 C ILE A 163 -2.970 -4.599 -1.819 1.00 0.00 C ATOM 621 O ILE A 163 -3.707 -5.173 -1.017 1.00 0.00 O ATOM 622 CB ILE A 163 -2.727 -2.114 -1.915 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.826 -0.922 -1.583 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.116 -1.912 -1.327 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.674 -0.674 -0.098 1.00 0.00 C ATOM 0 H ILE A 163 -0.406 -2.865 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.073 -3.369 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.817 -2.187 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.841 -1.090 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.234 -0.027 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.542 -0.985 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.755 -2.749 -1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -4.047 -1.857 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -1.023 0.185 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.652 -0.475 0.340 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.238 -1.554 0.375 1.00 0.00 H new ATOM 637 N ASP A 164 -2.864 -4.963 -3.094 1.00 0.00 N ATOM 638 CA ASP A 164 -3.626 -6.082 -3.632 1.00 0.00 C ATOM 639 C ASP A 164 -3.289 -7.362 -2.878 1.00 0.00 C ATOM 640 O ASP A 164 -4.169 -8.169 -2.576 1.00 0.00 O ATOM 641 CB ASP A 164 -3.336 -6.258 -5.123 1.00 0.00 C ATOM 642 CG ASP A 164 -4.330 -5.518 -5.996 1.00 0.00 C ATOM 643 OD1 ASP A 164 -4.994 -4.591 -5.485 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.448 -5.867 -7.189 1.00 0.00 O ATOM 0 H ASP A 164 -2.259 -4.499 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.688 -5.869 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.329 -5.900 -5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -3.357 -7.319 -5.372 1.00 0.00 H new ATOM 649 N ALA A 165 -2.010 -7.532 -2.562 1.00 0.00 N ATOM 650 CA ALA A 165 -1.556 -8.704 -1.827 1.00 0.00 C ATOM 651 C ALA A 165 -2.055 -8.647 -0.390 1.00 0.00 C ATOM 652 O ALA A 165 -2.375 -9.673 0.212 1.00 0.00 O ATOM 653 CB ALA A 165 -0.039 -8.804 -1.863 1.00 0.00 C ATOM 0 H ALA A 165 -1.270 -6.873 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.966 -9.594 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.281 -9.686 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.296 -8.885 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.395 -7.913 -1.409 1.00 0.00 H new ATOM 659 N PHE A 166 -2.130 -7.433 0.148 1.00 0.00 N ATOM 660 CA PHE A 166 -2.601 -7.226 1.510 1.00 0.00 C ATOM 661 C PHE A 166 -4.030 -7.743 1.658 1.00 0.00 C ATOM 662 O PHE A 166 -4.353 -8.440 2.619 1.00 0.00 O ATOM 663 CB PHE A 166 -2.536 -5.738 1.861 1.00 0.00 C ATOM 664 CG PHE A 166 -3.158 -5.399 3.184 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.531 -5.261 3.301 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.370 -5.219 4.308 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.108 -4.950 4.515 1.00 0.00 C ATOM 668 CE2 PHE A 166 -2.940 -4.908 5.526 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.312 -4.773 5.631 1.00 0.00 C ATOM 0 H PHE A 166 -1.869 -6.577 -0.342 1.00 0.00 H new ATOM 0 HA PHE A 166 -1.959 -7.779 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.493 -5.422 1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.036 -5.168 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.157 -5.398 2.432 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.298 -5.323 4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.180 -4.845 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.315 -4.770 6.396 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.761 -4.530 6.583 1.00 0.00 H new ATOM 679 N LEU A 167 -4.878 -7.396 0.695 1.00 0.00 N ATOM 680 CA LEU A 167 -6.267 -7.820 0.705 1.00 0.00 C ATOM 681 C LEU A 167 -6.399 -9.283 0.288 1.00 0.00 C ATOM 682 O LEU A 167 -7.346 -9.965 0.679 1.00 0.00 O ATOM 683 CB LEU A 167 -7.085 -6.938 -0.235 1.00 0.00 C ATOM 684 CG LEU A 167 -6.806 -5.437 -0.122 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.639 -4.818 -1.501 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.924 -4.745 0.643 1.00 0.00 C ATOM 0 H LEU A 167 -4.622 -6.818 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.646 -7.720 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.893 -7.251 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.144 -7.111 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.875 -5.300 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.441 -3.751 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -5.804 -5.294 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.552 -4.965 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.710 -3.679 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -8.868 -4.891 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -7.996 -5.168 1.645 1.00 0.00 H new ATOM 698 N ALA A 168 -5.447 -9.755 -0.512 1.00 0.00 N ATOM 699 CA ALA A 168 -5.462 -11.135 -0.984 1.00 0.00 C ATOM 700 C ALA A 168 -4.623 -12.038 -0.083 1.00 0.00 C ATOM 701 O ALA A 168 -4.042 -13.021 -0.543 1.00 0.00 O ATOM 702 CB ALA A 168 -4.959 -11.204 -2.418 1.00 0.00 C ATOM 0 H ALA A 168 -4.657 -9.203 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.491 -11.493 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.975 -12.239 -2.760 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -5.602 -10.601 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.939 -10.822 -2.465 1.00 0.00 H new ATOM 708 N GLY A 169 -4.565 -11.700 1.202 1.00 0.00 N ATOM 709 CA GLY A 169 -3.796 -12.493 2.143 1.00 0.00 C ATOM 710 C GLY A 169 -4.674 -13.211 3.150 1.00 0.00 C ATOM 711 O GLY A 169 -4.301 -14.264 3.668 1.00 0.00 O ATOM 0 H GLY A 169 -5.037 -10.892 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.202 -13.225 1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -3.096 -11.846 2.672 1.00 0.00 H new ATOM 715 N GLY A 170 -5.842 -12.642 3.427 1.00 0.00 N ATOM 716 CA GLY A 170 -6.756 -13.248 4.376 1.00 0.00 C ATOM 717 C GLY A 170 -7.980 -13.842 3.706 1.00 0.00 C ATOM 718 O GLY A 170 -8.901 -14.275 4.430 1.00 0.00 O ATOM 719 OXT GLY A 170 -8.018 -13.873 2.458 1.00 0.00 O ATOM 0 H GLY A 170 -6.172 -11.771 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 170 -6.234 -14.028 4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 170 -7.071 -12.498 5.102 1.00 0.00 H new TER 723 GLY A 170