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=-0.00722 X(o=-0.0072,f=0) USER MOD Single : A 132 MET CE :methyl 155:sc= -0.0862 (180deg=-0.423) 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+ -175:sc= 0.346 (180deg=0.285) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot -73:sc= 0.455 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -0.96 K(o=-0.96,f=-0.27) USER MOD Single : A 160 LYS NZ :NH3+ -127:sc= 0.585 (180deg=-1.75!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 7.494 5.583 16.664 1.00 0.00 N ATOM 2 CA ASN A 126 6.858 5.884 15.354 1.00 0.00 C ATOM 3 C ASN A 126 7.219 4.830 14.312 1.00 0.00 C ATOM 4 O ASN A 126 8.273 4.200 14.391 1.00 0.00 O ATOM 5 CB ASN A 126 7.324 7.269 14.895 1.00 0.00 C ATOM 6 CG ASN A 126 6.179 8.258 14.789 1.00 0.00 C ATOM 7 OD1 ASN A 126 6.143 9.262 15.501 1.00 0.00 O ATOM 8 ND2 ASN A 126 5.235 7.979 13.896 1.00 0.00 N ATOM 0 HA ASN A 126 5.774 5.872 15.468 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.066 7.650 15.596 1.00 0.00 H new ATOM 0 HB3 ASN A 126 7.816 7.181 13.926 1.00 0.00 H new ATOM 0 HD21 ASN A 126 4.441 8.608 13.780 1.00 0.00 H new ATOM 0 HD22 ASN A 126 5.305 7.136 13.327 1.00 0.00 H new ATOM 17 N ARG A 127 6.336 4.643 13.336 1.00 0.00 N ATOM 18 CA ARG A 127 6.562 3.664 12.278 1.00 0.00 C ATOM 19 C ARG A 127 6.686 4.347 10.920 1.00 0.00 C ATOM 20 O ARG A 127 5.748 4.990 10.450 1.00 0.00 O ATOM 21 CB ARG A 127 5.420 2.646 12.247 1.00 0.00 C ATOM 22 CG ARG A 127 5.876 1.232 11.927 1.00 0.00 C ATOM 23 CD ARG A 127 6.382 0.515 13.168 1.00 0.00 C ATOM 24 NE ARG A 127 5.289 -0.036 13.966 1.00 0.00 N ATOM 25 CZ ARG A 127 4.658 -1.171 13.676 1.00 0.00 C ATOM 26 NH1 ARG A 127 5.006 -1.877 12.606 1.00 0.00 N ATOM 27 NH2 ARG A 127 3.677 -1.602 14.455 1.00 0.00 N ATOM 0 H ARG A 127 5.458 5.156 13.256 1.00 0.00 H new ATOM 0 HA ARG A 127 7.498 3.146 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.917 2.647 13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.685 2.959 11.505 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.048 0.671 11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.666 1.264 11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.056 -0.289 12.873 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.961 1.209 13.777 1.00 0.00 H new ATOM 0 HE ARG A 127 4.992 0.480 14.794 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.760 -1.550 12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 127 4.519 -2.746 12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.405 -1.064 15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.194 -2.472 14.232 1.00 0.00 H new ATOM 41 N ARG A 128 7.850 4.202 10.295 1.00 0.00 N ATOM 42 CA ARG A 128 8.096 4.803 8.990 1.00 0.00 C ATOM 43 C ARG A 128 7.144 4.233 7.944 1.00 0.00 C ATOM 44 O ARG A 128 7.124 3.027 7.700 1.00 0.00 O ATOM 45 CB ARG A 128 9.548 4.570 8.563 1.00 0.00 C ATOM 46 CG ARG A 128 10.417 5.813 8.665 1.00 0.00 C ATOM 47 CD ARG A 128 10.148 6.781 7.522 1.00 0.00 C ATOM 48 NE ARG A 128 11.332 6.991 6.693 1.00 0.00 N ATOM 49 CZ ARG A 128 11.458 7.988 5.821 1.00 0.00 C ATOM 50 NH1 ARG A 128 10.477 8.868 5.661 1.00 0.00 N ATOM 51 NH2 ARG A 128 12.569 8.108 5.107 1.00 0.00 N ATOM 0 H ARG A 128 8.637 3.674 10.671 1.00 0.00 H new ATOM 0 HA ARG A 128 7.919 5.876 9.069 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.979 3.783 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.563 4.210 7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 128 10.230 6.311 9.616 1.00 0.00 H new ATOM 0 HG3 ARG A 128 11.468 5.524 8.658 1.00 0.00 H new ATOM 0 HD2 ARG A 128 9.337 6.396 6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.815 7.737 7.927 1.00 0.00 H new ATOM 0 HE ARG A 128 12.107 6.335 6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 128 9.621 8.782 6.208 1.00 0.00 H new ATOM 0 HH12 ARG A 128 10.580 9.630 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.327 7.436 5.226 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.666 8.872 4.438 1.00 0.00 H new ATOM 65 N VAL A 129 6.356 5.110 7.329 1.00 0.00 N ATOM 66 CA VAL A 129 5.399 4.694 6.310 1.00 0.00 C ATOM 67 C VAL A 129 5.737 5.303 4.954 1.00 0.00 C ATOM 68 O VAL A 129 5.741 6.523 4.793 1.00 0.00 O ATOM 69 CB VAL A 129 3.962 5.094 6.694 1.00 0.00 C ATOM 70 CG1 VAL A 129 2.964 4.528 5.696 1.00 0.00 C ATOM 71 CG2 VAL A 129 3.636 4.629 8.107 1.00 0.00 C ATOM 0 H VAL A 129 6.362 6.112 7.519 1.00 0.00 H new ATOM 0 HA VAL A 129 5.462 3.608 6.243 1.00 0.00 H new ATOM 0 HB VAL A 129 3.889 6.181 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 129 1.955 4.821 5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.184 4.916 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.037 3.440 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.617 4.921 8.360 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.727 3.544 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.330 5.089 8.811 1.00 0.00 H new ATOM 81 N ILE A 130 6.020 4.444 3.980 1.00 0.00 N ATOM 82 CA ILE A 130 6.360 4.897 2.636 1.00 0.00 C ATOM 83 C ILE A 130 5.482 4.219 1.587 1.00 0.00 C ATOM 84 O ILE A 130 5.335 2.997 1.585 1.00 0.00 O ATOM 85 CB ILE A 130 7.839 4.620 2.306 1.00 0.00 C ATOM 86 CG1 ILE A 130 8.738 5.066 3.463 1.00 0.00 C ATOM 87 CG2 ILE A 130 8.233 5.323 1.016 1.00 0.00 C ATOM 88 CD1 ILE A 130 9.529 3.934 4.084 1.00 0.00 C ATOM 0 H ILE A 130 6.021 3.431 4.096 1.00 0.00 H new ATOM 0 HA ILE A 130 6.185 5.973 2.613 1.00 0.00 H new ATOM 0 HB ILE A 130 7.970 3.547 2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.430 5.827 3.103 1.00 0.00 H new ATOM 0 HG13 ILE A 130 8.122 5.533 4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.281 5.118 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 130 7.612 4.958 0.198 1.00 0.00 H new ATOM 0 HG23 ILE A 130 8.089 6.398 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.143 4.322 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.843 3.183 4.475 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.171 3.481 3.328 1.00 0.00 H new ATOM 100 N ALA A 131 4.904 5.020 0.698 1.00 0.00 N ATOM 101 CA ALA A 131 4.043 4.494 -0.356 1.00 0.00 C ATOM 102 C ALA A 131 3.707 5.569 -1.381 1.00 0.00 C ATOM 103 O ALA A 131 3.818 6.763 -1.102 1.00 0.00 O ATOM 104 CB ALA A 131 2.768 3.919 0.237 1.00 0.00 C ATOM 0 H ALA A 131 5.016 6.034 0.686 1.00 0.00 H new ATOM 0 HA ALA A 131 4.587 3.698 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 131 2.137 3.531 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 131 3.019 3.112 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 131 2.232 4.701 0.775 1.00 0.00 H new ATOM 110 N MET A 132 3.289 5.137 -2.566 1.00 0.00 N ATOM 111 CA MET A 132 2.930 6.066 -3.628 1.00 0.00 C ATOM 112 C MET A 132 1.581 6.716 -3.338 1.00 0.00 C ATOM 113 O MET A 132 0.708 6.108 -2.713 1.00 0.00 O ATOM 114 CB MET A 132 2.886 5.345 -4.978 1.00 0.00 C ATOM 115 CG MET A 132 4.036 4.374 -5.188 1.00 0.00 C ATOM 116 SD MET A 132 4.702 4.435 -6.864 1.00 0.00 S ATOM 117 CE MET A 132 5.433 6.070 -6.877 1.00 0.00 C ATOM 0 H MET A 132 3.191 4.152 -2.814 1.00 0.00 H new ATOM 0 HA MET A 132 3.691 6.845 -3.671 1.00 0.00 H new ATOM 0 HB2 MET A 132 1.944 4.803 -5.060 1.00 0.00 H new ATOM 0 HB3 MET A 132 2.897 6.087 -5.777 1.00 0.00 H new ATOM 0 HG2 MET A 132 4.831 4.600 -4.477 1.00 0.00 H new ATOM 0 HG3 MET A 132 3.695 3.361 -4.974 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.233 6.105 -7.616 1.00 0.00 H new ATOM 0 HE2 MET A 132 4.671 6.807 -7.132 1.00 0.00 H new ATOM 0 HE3 MET A 132 5.840 6.295 -5.891 1.00 0.00 H new ATOM 127 N PRO A 133 1.390 7.966 -3.788 1.00 0.00 N ATOM 128 CA PRO A 133 0.142 8.697 -3.571 1.00 0.00 C ATOM 129 C PRO A 133 -1.075 7.915 -4.045 1.00 0.00 C ATOM 130 O PRO A 133 -2.070 7.818 -3.331 1.00 0.00 O ATOM 131 CB PRO A 133 0.314 9.984 -4.395 1.00 0.00 C ATOM 132 CG PRO A 133 1.494 9.738 -5.277 1.00 0.00 C ATOM 133 CD PRO A 133 2.366 8.764 -4.541 1.00 0.00 C ATOM 0 HA PRO A 133 -0.034 8.885 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.579 10.195 -4.984 1.00 0.00 H new ATOM 0 HB3 PRO A 133 0.480 10.845 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 133 1.183 9.333 -6.240 1.00 0.00 H new ATOM 0 HG3 PRO A 133 2.030 10.665 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 133 2.952 8.149 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 133 3.071 9.269 -3.882 1.00 0.00 H new ATOM 141 N SER A 134 -0.984 7.350 -5.248 1.00 0.00 N ATOM 142 CA SER A 134 -2.082 6.573 -5.813 1.00 0.00 C ATOM 143 C SER A 134 -2.358 5.337 -4.969 1.00 0.00 C ATOM 144 O SER A 134 -3.501 4.893 -4.859 1.00 0.00 O ATOM 145 CB SER A 134 -1.756 6.161 -7.250 1.00 0.00 C ATOM 146 OG SER A 134 -0.544 5.429 -7.308 1.00 0.00 O ATOM 0 H SER A 134 -0.162 7.417 -5.848 1.00 0.00 H new ATOM 0 HA SER A 134 -2.975 7.198 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.569 5.556 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.679 7.049 -7.878 1.00 0.00 H new ATOM 0 HG SER A 134 -0.359 5.176 -8.236 1.00 0.00 H new ATOM 152 N VAL A 135 -1.312 4.792 -4.359 1.00 0.00 N ATOM 153 CA VAL A 135 -1.461 3.618 -3.513 1.00 0.00 C ATOM 154 C VAL A 135 -2.272 3.967 -2.276 1.00 0.00 C ATOM 155 O VAL A 135 -3.138 3.202 -1.849 1.00 0.00 O ATOM 156 CB VAL A 135 -0.097 3.047 -3.086 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.274 1.781 -2.261 1.00 0.00 C ATOM 158 CG2 VAL A 135 0.762 2.777 -4.308 1.00 0.00 C ATOM 0 H VAL A 135 -0.357 5.143 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 135 -1.981 2.857 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 135 0.407 3.785 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.704 1.396 -1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -0.855 2.008 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.798 1.031 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.725 2.373 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 135 0.260 2.057 -4.954 1.00 0.00 H new ATOM 0 HG23 VAL A 135 0.919 3.707 -4.855 1.00 0.00 H new ATOM 168 N ARG A 136 -1.998 5.138 -1.716 1.00 0.00 N ATOM 169 CA ARG A 136 -2.719 5.600 -0.540 1.00 0.00 C ATOM 170 C ARG A 136 -4.188 5.801 -0.879 1.00 0.00 C ATOM 171 O ARG A 136 -5.074 5.411 -0.118 1.00 0.00 O ATOM 172 CB ARG A 136 -2.112 6.902 -0.018 1.00 0.00 C ATOM 173 CG ARG A 136 -0.925 6.691 0.907 1.00 0.00 C ATOM 174 CD ARG A 136 -1.313 6.882 2.367 1.00 0.00 C ATOM 175 NE ARG A 136 -0.453 7.855 3.037 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.423 8.035 4.355 1.00 0.00 C ATOM 177 NH1 ARG A 136 -1.201 7.309 5.149 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.386 8.944 4.882 1.00 0.00 N ATOM 0 H ARG A 136 -1.284 5.782 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.636 4.845 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -1.798 7.512 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.880 7.464 0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.525 5.687 0.764 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -0.131 7.390 0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.350 7.212 2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.253 5.926 2.887 1.00 0.00 H new ATOM 0 HE ARG A 136 0.161 8.430 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.826 6.609 4.749 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -1.174 7.451 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.985 9.505 4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.409 9.082 5.892 1.00 0.00 H new ATOM 192 N LYS A 137 -4.439 6.395 -2.041 1.00 0.00 N ATOM 193 CA LYS A 137 -5.808 6.625 -2.498 1.00 0.00 C ATOM 194 C LYS A 137 -6.473 5.291 -2.789 1.00 0.00 C ATOM 195 O LYS A 137 -7.643 5.080 -2.469 1.00 0.00 O ATOM 196 CB LYS A 137 -5.847 7.499 -3.761 1.00 0.00 C ATOM 197 CG LYS A 137 -4.604 8.336 -3.971 1.00 0.00 C ATOM 198 CD LYS A 137 -4.834 9.437 -4.992 1.00 0.00 C ATOM 199 CE LYS A 137 -4.790 8.897 -6.413 1.00 0.00 C ATOM 200 NZ LYS A 137 -5.822 9.531 -7.279 1.00 0.00 N ATOM 0 H LYS A 137 -3.717 6.725 -2.682 1.00 0.00 H new ATOM 0 HA LYS A 137 -6.342 7.152 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -5.991 6.857 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -6.712 8.160 -3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -4.298 8.777 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -3.786 7.696 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -5.800 9.907 -4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -4.075 10.210 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -3.802 9.073 -6.838 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -4.943 7.818 -6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -5.760 9.136 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -6.767 9.342 -6.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -5.661 10.558 -7.316 1.00 0.00 H new ATOM 214 N TRP A 138 -5.708 4.388 -3.395 1.00 0.00 N ATOM 215 CA TRP A 138 -6.212 3.064 -3.724 1.00 0.00 C ATOM 216 C TRP A 138 -6.651 2.340 -2.457 1.00 0.00 C ATOM 217 O TRP A 138 -7.746 1.778 -2.396 1.00 0.00 O ATOM 218 CB TRP A 138 -5.137 2.266 -4.464 1.00 0.00 C ATOM 219 CG TRP A 138 -5.458 0.813 -4.614 1.00 0.00 C ATOM 220 CD1 TRP A 138 -4.818 -0.226 -4.009 1.00 0.00 C ATOM 221 CD2 TRP A 138 -6.491 0.239 -5.418 1.00 0.00 C ATOM 222 NE1 TRP A 138 -5.389 -1.417 -4.389 1.00 0.00 N ATOM 223 CE2 TRP A 138 -6.420 -1.157 -5.254 1.00 0.00 C ATOM 224 CE3 TRP A 138 -7.471 0.770 -6.262 1.00 0.00 C ATOM 225 CZ2 TRP A 138 -7.291 -2.028 -5.903 1.00 0.00 C ATOM 226 CZ3 TRP A 138 -8.335 -0.096 -6.905 1.00 0.00 C ATOM 227 CH2 TRP A 138 -8.241 -1.481 -6.722 1.00 0.00 C ATOM 0 H TRP A 138 -4.738 4.551 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 138 -7.079 3.162 -4.378 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -4.992 2.700 -5.453 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.192 2.366 -3.930 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -3.984 -0.128 -3.330 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -5.094 -2.343 -4.078 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -7.551 1.837 -6.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -7.219 -3.097 -5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -9.096 0.302 -7.560 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -8.932 -2.131 -7.238 1.00 0.00 H new ATOM 238 N ALA A 139 -5.799 2.377 -1.441 1.00 0.00 N ATOM 239 CA ALA A 139 -6.108 1.748 -0.170 1.00 0.00 C ATOM 240 C ALA A 139 -7.367 2.363 0.425 1.00 0.00 C ATOM 241 O ALA A 139 -8.311 1.658 0.774 1.00 0.00 O ATOM 242 CB ALA A 139 -4.936 1.895 0.789 1.00 0.00 C ATOM 0 H ALA A 139 -4.889 2.837 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.286 0.685 -0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -5.181 1.419 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.054 1.419 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.732 2.953 0.955 1.00 0.00 H new ATOM 248 N ARG A 140 -7.381 3.689 0.520 1.00 0.00 N ATOM 249 CA ARG A 140 -8.528 4.408 1.061 1.00 0.00 C ATOM 250 C ARG A 140 -9.816 3.984 0.361 1.00 0.00 C ATOM 251 O ARG A 140 -10.871 3.883 0.988 1.00 0.00 O ATOM 252 CB ARG A 140 -8.328 5.916 0.903 1.00 0.00 C ATOM 253 CG ARG A 140 -7.338 6.505 1.893 1.00 0.00 C ATOM 254 CD ARG A 140 -7.820 7.842 2.429 1.00 0.00 C ATOM 255 NE ARG A 140 -7.761 8.892 1.416 1.00 0.00 N ATOM 256 CZ ARG A 140 -8.439 10.034 1.492 1.00 0.00 C ATOM 257 NH1 ARG A 140 -9.225 10.280 2.533 1.00 0.00 N ATOM 258 NH2 ARG A 140 -8.331 10.936 0.524 1.00 0.00 N ATOM 0 H ARG A 140 -6.609 4.288 0.228 1.00 0.00 H new ATOM 0 HA ARG A 140 -8.611 4.164 2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.984 6.124 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -9.289 6.416 1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -7.192 5.811 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -6.370 6.633 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -8.845 7.741 2.787 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -7.210 8.130 3.285 1.00 0.00 H new ATOM 0 HE ARG A 140 -7.165 8.741 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -9.312 9.591 3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -9.742 11.158 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -7.728 10.753 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -8.851 11.812 0.582 1.00 0.00 H new ATOM 272 N GLU A 141 -9.722 3.735 -0.942 1.00 0.00 N ATOM 273 CA GLU A 141 -10.880 3.320 -1.724 1.00 0.00 C ATOM 274 C GLU A 141 -11.332 1.917 -1.329 1.00 0.00 C ATOM 275 O GLU A 141 -12.528 1.644 -1.231 1.00 0.00 O ATOM 276 CB GLU A 141 -10.554 3.362 -3.218 1.00 0.00 C ATOM 277 CG GLU A 141 -10.585 4.762 -3.809 1.00 0.00 C ATOM 278 CD GLU A 141 -11.569 4.891 -4.956 1.00 0.00 C ATOM 279 OE1 GLU A 141 -11.302 4.317 -6.034 1.00 0.00 O ATOM 280 OE2 GLU A 141 -12.605 5.565 -4.777 1.00 0.00 O ATOM 0 H GLU A 141 -8.857 3.813 -1.477 1.00 0.00 H new ATOM 0 HA GLU A 141 -11.694 4.015 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -9.566 2.931 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -11.266 2.735 -3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -10.848 5.476 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -9.587 5.026 -4.160 1.00 0.00 H new ATOM 287 N LYS A 142 -10.366 1.031 -1.107 1.00 0.00 N ATOM 288 CA LYS A 142 -10.665 -0.346 -0.726 1.00 0.00 C ATOM 289 C LYS A 142 -10.874 -0.482 0.784 1.00 0.00 C ATOM 290 O LYS A 142 -11.215 -1.558 1.274 1.00 0.00 O ATOM 291 CB LYS A 142 -9.537 -1.275 -1.184 1.00 0.00 C ATOM 292 CG LYS A 142 -10.017 -2.442 -2.031 1.00 0.00 C ATOM 293 CD LYS A 142 -10.118 -2.060 -3.499 1.00 0.00 C ATOM 294 CE LYS A 142 -10.020 -3.280 -4.400 1.00 0.00 C ATOM 295 NZ LYS A 142 -10.834 -3.123 -5.637 1.00 0.00 N ATOM 0 H LYS A 142 -9.371 1.241 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 142 -11.594 -0.632 -1.219 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -8.811 -0.697 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -9.018 -1.662 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -9.331 -3.281 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -10.991 -2.777 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -11.064 -1.549 -3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -9.323 -1.357 -3.749 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -8.978 -3.449 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -10.355 -4.162 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -10.809 -4.007 -6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -11.817 -2.903 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -10.445 -2.349 -6.213 1.00 0.00 H new ATOM 309 N GLY A 143 -10.662 0.609 1.518 1.00 0.00 N ATOM 310 CA GLY A 143 -10.829 0.573 2.961 1.00 0.00 C ATOM 311 C GLY A 143 -9.552 0.190 3.688 1.00 0.00 C ATOM 312 O GLY A 143 -9.567 -0.067 4.891 1.00 0.00 O ATOM 0 H GLY A 143 -10.379 1.513 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -11.161 1.551 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -11.614 -0.139 3.214 1.00 0.00 H new ATOM 316 N VAL A 144 -8.444 0.150 2.953 1.00 0.00 N ATOM 317 CA VAL A 144 -7.152 -0.205 3.524 1.00 0.00 C ATOM 318 C VAL A 144 -6.320 1.036 3.830 1.00 0.00 C ATOM 319 O VAL A 144 -6.364 2.024 3.097 1.00 0.00 O ATOM 320 CB VAL A 144 -6.346 -1.108 2.573 1.00 0.00 C ATOM 321 CG1 VAL A 144 -5.103 -1.638 3.273 1.00 0.00 C ATOM 322 CG2 VAL A 144 -7.207 -2.253 2.063 1.00 0.00 C ATOM 0 H VAL A 144 -8.417 0.361 1.955 1.00 0.00 H new ATOM 0 HA VAL A 144 -7.360 -0.743 4.449 1.00 0.00 H new ATOM 0 HB VAL A 144 -6.031 -0.514 1.715 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -4.543 -2.275 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -4.477 -0.802 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -5.397 -2.217 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -6.619 -2.880 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -7.555 -2.850 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -8.065 -1.851 1.525 1.00 0.00 H new ATOM 332 N ASP A 145 -5.551 0.968 4.908 1.00 0.00 N ATOM 333 CA ASP A 145 -4.689 2.073 5.308 1.00 0.00 C ATOM 334 C ASP A 145 -3.225 1.678 5.139 1.00 0.00 C ATOM 335 O ASP A 145 -2.737 0.783 5.819 1.00 0.00 O ATOM 336 CB ASP A 145 -4.962 2.466 6.761 1.00 0.00 C ATOM 337 CG ASP A 145 -4.225 3.727 7.166 1.00 0.00 C ATOM 338 OD1 ASP A 145 -3.191 4.039 6.539 1.00 0.00 O ATOM 339 OD2 ASP A 145 -4.682 4.404 8.111 1.00 0.00 O ATOM 0 H ASP A 145 -5.506 0.156 5.524 1.00 0.00 H new ATOM 0 HA ASP A 145 -4.903 2.931 4.671 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -6.033 2.614 6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -4.666 1.648 7.418 1.00 0.00 H new ATOM 344 N ILE A 146 -2.531 2.337 4.221 1.00 0.00 N ATOM 345 CA ILE A 146 -1.127 2.034 3.958 1.00 0.00 C ATOM 346 C ILE A 146 -0.315 1.892 5.252 1.00 0.00 C ATOM 347 O ILE A 146 0.704 1.203 5.282 1.00 0.00 O ATOM 348 CB ILE A 146 -0.485 3.110 3.053 1.00 0.00 C ATOM 349 CG1 ILE A 146 0.538 2.468 2.117 1.00 0.00 C ATOM 350 CG2 ILE A 146 0.162 4.216 3.880 1.00 0.00 C ATOM 351 CD1 ILE A 146 0.071 2.385 0.679 1.00 0.00 C ATOM 0 H ILE A 146 -2.916 3.085 3.645 1.00 0.00 H new ATOM 0 HA ILE A 146 -1.107 1.075 3.440 1.00 0.00 H new ATOM 0 HB ILE A 146 -1.274 3.565 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 146 1.465 3.040 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 146 0.767 1.464 2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 146 0.604 4.957 3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -0.594 4.694 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 146 0.939 3.789 4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.846 1.919 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.840 1.788 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -0.130 3.388 0.303 1.00 0.00 H new ATOM 363 N ARG A 147 -0.769 2.555 6.311 1.00 0.00 N ATOM 364 CA ARG A 147 -0.080 2.511 7.600 1.00 0.00 C ATOM 365 C ARG A 147 0.069 1.082 8.126 1.00 0.00 C ATOM 366 O ARG A 147 0.913 0.817 8.981 1.00 0.00 O ATOM 367 CB ARG A 147 -0.829 3.365 8.625 1.00 0.00 C ATOM 368 CG ARG A 147 -0.383 4.817 8.648 1.00 0.00 C ATOM 369 CD ARG A 147 -1.322 5.675 9.481 1.00 0.00 C ATOM 370 NE ARG A 147 -0.611 6.741 10.184 1.00 0.00 N ATOM 371 CZ ARG A 147 0.081 6.556 11.306 1.00 0.00 C ATOM 372 NH1 ARG A 147 0.160 5.349 11.854 1.00 0.00 N ATOM 373 NH2 ARG A 147 0.696 7.580 11.881 1.00 0.00 N ATOM 0 H ARG A 147 -1.611 3.130 6.304 1.00 0.00 H new ATOM 0 HA ARG A 147 0.922 2.912 7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -1.897 3.325 8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -0.688 2.935 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 147 0.627 4.882 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.343 5.203 7.629 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -2.083 6.112 8.835 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -1.841 5.047 10.205 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.647 7.682 9.792 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -0.311 4.558 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.692 5.213 12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 147 0.639 8.509 11.464 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.226 7.439 12.741 1.00 0.00 H new ATOM 387 N LEU A 148 -0.753 0.166 7.621 1.00 0.00 N ATOM 388 CA LEU A 148 -0.701 -1.230 8.058 1.00 0.00 C ATOM 389 C LEU A 148 -0.244 -2.148 6.929 1.00 0.00 C ATOM 390 O LEU A 148 -0.550 -3.341 6.928 1.00 0.00 O ATOM 391 CB LEU A 148 -2.072 -1.690 8.560 1.00 0.00 C ATOM 392 CG LEU A 148 -3.261 -1.066 7.835 1.00 0.00 C ATOM 393 CD1 LEU A 148 -3.391 -1.648 6.439 1.00 0.00 C ATOM 394 CD2 LEU A 148 -4.542 -1.277 8.617 1.00 0.00 C ATOM 0 H LEU A 148 -1.460 0.362 6.912 1.00 0.00 H new ATOM 0 HA LEU A 148 0.022 -1.289 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 148 -2.134 -2.774 8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 148 -2.150 -1.459 9.622 1.00 0.00 H new ATOM 0 HG LEU A 148 -3.086 0.007 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 148 -4.243 -1.194 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 148 -2.482 -1.443 5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 148 -3.541 -2.725 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 148 -5.375 -0.823 8.080 1.00 0.00 H new ATOM 0 HD22 LEU A 148 -4.725 -2.345 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 148 -4.449 -0.814 9.600 1.00 0.00 H new ATOM 406 N VAL A 149 0.481 -1.591 5.967 1.00 0.00 N ATOM 407 CA VAL A 149 0.966 -2.371 4.836 1.00 0.00 C ATOM 408 C VAL A 149 2.483 -2.289 4.717 1.00 0.00 C ATOM 409 O VAL A 149 3.038 -1.237 4.399 1.00 0.00 O ATOM 410 CB VAL A 149 0.323 -1.899 3.518 1.00 0.00 C ATOM 411 CG1 VAL A 149 0.743 -2.797 2.365 1.00 0.00 C ATOM 412 CG2 VAL A 149 -1.193 -1.863 3.651 1.00 0.00 C ATOM 0 H VAL A 149 0.745 -0.606 5.947 1.00 0.00 H new ATOM 0 HA VAL A 149 0.682 -3.408 5.018 1.00 0.00 H new ATOM 0 HB VAL A 149 0.673 -0.889 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.278 -2.447 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.827 -2.769 2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.425 -3.820 2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -1.633 -1.528 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -1.561 -2.861 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -1.472 -1.174 4.449 1.00 0.00 H new ATOM 422 N GLN A 150 3.149 -3.410 4.972 1.00 0.00 N ATOM 423 CA GLN A 150 4.603 -3.472 4.892 1.00 0.00 C ATOM 424 C GLN A 150 5.062 -3.517 3.438 1.00 0.00 C ATOM 425 O GLN A 150 5.403 -4.578 2.917 1.00 0.00 O ATOM 426 CB GLN A 150 5.125 -4.698 5.643 1.00 0.00 C ATOM 427 CG GLN A 150 6.459 -4.466 6.332 1.00 0.00 C ATOM 428 CD GLN A 150 6.534 -5.129 7.694 1.00 0.00 C ATOM 429 OE1 GLN A 150 6.228 -4.513 8.715 1.00 0.00 O ATOM 430 NE2 GLN A 150 6.945 -6.391 7.715 1.00 0.00 N ATOM 0 H GLN A 150 2.704 -4.289 5.236 1.00 0.00 H new ATOM 0 HA GLN A 150 5.008 -2.573 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 150 4.388 -4.999 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 150 5.227 -5.527 4.943 1.00 0.00 H new ATOM 0 HG2 GLN A 150 7.261 -4.849 5.701 1.00 0.00 H new ATOM 0 HG3 GLN A 150 6.625 -3.394 6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 150 7.188 -6.863 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 150 7.017 -6.889 8.602 1.00 0.00 H new ATOM 439 N GLY A 151 5.066 -2.357 2.789 1.00 0.00 N ATOM 440 CA GLY A 151 5.484 -2.284 1.400 1.00 0.00 C ATOM 441 C GLY A 151 6.863 -2.872 1.176 1.00 0.00 C ATOM 442 O GLY A 151 7.697 -2.878 2.082 1.00 0.00 O ATOM 0 H GLY A 151 4.787 -1.466 3.200 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.762 -2.813 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.480 -1.243 1.077 1.00 0.00 H new ATOM 446 N THR A 152 7.103 -3.371 -0.033 1.00 0.00 N ATOM 447 CA THR A 152 8.391 -3.965 -0.372 1.00 0.00 C ATOM 448 C THR A 152 9.077 -3.194 -1.498 1.00 0.00 C ATOM 449 O THR A 152 9.975 -3.717 -2.158 1.00 0.00 O ATOM 450 CB THR A 152 8.209 -5.428 -0.777 1.00 0.00 C ATOM 451 OG1 THR A 152 7.175 -5.557 -1.737 1.00 0.00 O ATOM 452 CG2 THR A 152 7.871 -6.334 0.388 1.00 0.00 C ATOM 0 H THR A 152 6.423 -3.376 -0.793 1.00 0.00 H new ATOM 0 HA THR A 152 9.026 -3.914 0.512 1.00 0.00 H new ATOM 0 HB THR A 152 9.170 -5.736 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 152 6.307 -5.425 -1.302 1.00 0.00 H new ATOM 0 HG21 THR A 152 7.755 -7.357 0.031 1.00 0.00 H new ATOM 0 HG22 THR A 152 8.674 -6.295 1.124 1.00 0.00 H new ATOM 0 HG23 THR A 152 6.940 -6.003 0.848 1.00 0.00 H new ATOM 460 N GLY A 153 8.652 -1.953 -1.715 1.00 0.00 N ATOM 461 CA GLY A 153 9.243 -1.142 -2.764 1.00 0.00 C ATOM 462 C GLY A 153 10.642 -0.672 -2.415 1.00 0.00 C ATOM 463 O GLY A 153 10.817 0.409 -1.855 1.00 0.00 O ATOM 0 H GLY A 153 7.911 -1.495 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 153 9.277 -1.718 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.608 -0.276 -2.951 1.00 0.00 H new ATOM 467 N LYS A 154 11.638 -1.488 -2.748 1.00 0.00 N ATOM 468 CA LYS A 154 13.034 -1.158 -2.471 1.00 0.00 C ATOM 469 C LYS A 154 13.250 -0.894 -0.981 1.00 0.00 C ATOM 470 O LYS A 154 13.670 -1.784 -0.240 1.00 0.00 O ATOM 471 CB LYS A 154 13.468 0.058 -3.296 1.00 0.00 C ATOM 472 CG LYS A 154 14.475 -0.275 -4.386 1.00 0.00 C ATOM 473 CD LYS A 154 13.875 -1.195 -5.439 1.00 0.00 C ATOM 474 CE LYS A 154 13.591 -0.451 -6.735 1.00 0.00 C ATOM 475 NZ LYS A 154 13.018 -1.347 -7.776 1.00 0.00 N ATOM 0 H LYS A 154 11.504 -2.386 -3.212 1.00 0.00 H new ATOM 0 HA LYS A 154 13.647 -2.013 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 154 12.587 0.510 -3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 154 13.900 0.804 -2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 154 14.818 0.645 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 154 15.349 -0.751 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 154 14.560 -2.020 -5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 154 12.951 -1.631 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 154 12.898 0.367 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 154 14.513 -0.006 -7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 12.839 -0.802 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 13.690 -2.114 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 12.124 -1.753 -7.431 1.00 0.00 H new ATOM 489 N ASN A 155 12.959 0.328 -0.546 1.00 0.00 N ATOM 490 CA ASN A 155 13.122 0.700 0.856 1.00 0.00 C ATOM 491 C ASN A 155 11.901 0.293 1.682 1.00 0.00 C ATOM 492 O ASN A 155 11.859 0.517 2.892 1.00 0.00 O ATOM 493 CB ASN A 155 13.359 2.207 0.987 1.00 0.00 C ATOM 494 CG ASN A 155 12.388 3.025 0.158 1.00 0.00 C ATOM 495 OD1 ASN A 155 12.766 3.627 -0.847 1.00 0.00 O ATOM 496 ND2 ASN A 155 11.128 3.052 0.577 1.00 0.00 N ATOM 0 H ASN A 155 12.609 1.077 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 155 13.991 0.167 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 155 13.269 2.495 2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 155 14.379 2.439 0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 155 10.430 3.587 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 155 10.858 2.538 1.416 1.00 0.00 H new ATOM 503 N GLY A 156 10.910 -0.308 1.026 1.00 0.00 N ATOM 504 CA GLY A 156 9.711 -0.733 1.725 1.00 0.00 C ATOM 505 C GLY A 156 8.492 0.081 1.339 1.00 0.00 C ATOM 506 O GLY A 156 7.547 0.206 2.118 1.00 0.00 O ATOM 0 H GLY A 156 10.917 -0.507 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.524 -1.785 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 156 9.873 -0.651 2.800 1.00 0.00 H new ATOM 510 N ARG A 157 8.513 0.638 0.132 1.00 0.00 N ATOM 511 CA ARG A 157 7.401 1.446 -0.358 1.00 0.00 C ATOM 512 C ARG A 157 6.242 0.562 -0.807 1.00 0.00 C ATOM 513 O ARG A 157 6.390 -0.259 -1.713 1.00 0.00 O ATOM 514 CB ARG A 157 7.864 2.331 -1.519 1.00 0.00 C ATOM 515 CG ARG A 157 7.281 3.734 -1.485 1.00 0.00 C ATOM 516 CD ARG A 157 6.600 4.090 -2.797 1.00 0.00 C ATOM 517 NE ARG A 157 6.695 5.517 -3.093 1.00 0.00 N ATOM 518 CZ ARG A 157 7.841 6.151 -3.333 1.00 0.00 C ATOM 519 NH1 ARG A 157 8.991 5.486 -3.315 1.00 0.00 N ATOM 520 NH2 ARG A 157 7.838 7.450 -3.591 1.00 0.00 N ATOM 0 H ARG A 157 9.288 0.545 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 157 7.054 2.079 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 157 8.952 2.398 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 157 7.589 1.855 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 157 6.562 3.810 -0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 157 8.074 4.453 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 157 7.055 3.521 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 157 5.551 3.798 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 157 5.832 6.060 -3.117 1.00 0.00 H new ATOM 0 HH11 ARG A 157 8.999 4.485 -3.117 1.00 0.00 H new ATOM 0 HH12 ARG A 157 9.866 5.976 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 157 6.958 7.965 -3.606 1.00 0.00 H new ATOM 0 HH22 ARG A 157 8.716 7.935 -3.775 1.00 0.00 H new ATOM 534 N VAL A 158 5.086 0.736 -0.171 1.00 0.00 N ATOM 535 CA VAL A 158 3.903 -0.046 -0.510 1.00 0.00 C ATOM 536 C VAL A 158 3.388 0.319 -1.900 1.00 0.00 C ATOM 537 O VAL A 158 2.889 1.423 -2.117 1.00 0.00 O ATOM 538 CB VAL A 158 2.774 0.170 0.516 1.00 0.00 C ATOM 539 CG1 VAL A 158 1.589 -0.734 0.211 1.00 0.00 C ATOM 540 CG2 VAL A 158 3.285 -0.070 1.928 1.00 0.00 C ATOM 0 H VAL A 158 4.945 1.411 0.581 1.00 0.00 H new ATOM 0 HA VAL A 158 4.199 -1.095 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 158 2.438 1.204 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 158 0.803 -0.565 0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 158 1.207 -0.510 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 158 1.906 -1.776 0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 158 2.475 0.087 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 158 3.650 -1.093 2.014 1.00 0.00 H new ATOM 0 HG23 VAL A 158 4.097 0.624 2.144 1.00 0.00 H new ATOM 550 N LEU A 159 3.513 -0.615 -2.835 1.00 0.00 N ATOM 551 CA LEU A 159 3.060 -0.393 -4.204 1.00 0.00 C ATOM 552 C LEU A 159 1.700 -1.045 -4.436 1.00 0.00 C ATOM 553 O LEU A 159 1.165 -1.718 -3.554 1.00 0.00 O ATOM 554 CB LEU A 159 4.079 -0.950 -5.202 1.00 0.00 C ATOM 555 CG LEU A 159 5.544 -0.808 -4.788 1.00 0.00 C ATOM 556 CD1 LEU A 159 6.391 -1.884 -5.451 1.00 0.00 C ATOM 557 CD2 LEU A 159 6.066 0.576 -5.144 1.00 0.00 C ATOM 0 H LEU A 159 3.924 -1.534 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 159 2.963 0.682 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 159 3.865 -2.007 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 159 3.938 -0.447 -6.159 1.00 0.00 H new ATOM 0 HG LEU A 159 5.611 -0.934 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 159 7.431 -1.768 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 159 6.031 -2.868 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 159 6.318 -1.788 -6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 159 7.110 0.660 -4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 159 5.986 0.729 -6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 159 5.477 1.332 -4.625 1.00 0.00 H new ATOM 569 N LYS A 160 1.148 -0.847 -5.630 1.00 0.00 N ATOM 570 CA LYS A 160 -0.147 -1.423 -5.976 1.00 0.00 C ATOM 571 C LYS A 160 -0.142 -2.931 -5.748 1.00 0.00 C ATOM 572 O LYS A 160 -1.163 -3.521 -5.396 1.00 0.00 O ATOM 573 CB LYS A 160 -0.495 -1.117 -7.434 1.00 0.00 C ATOM 574 CG LYS A 160 -1.844 -1.671 -7.867 1.00 0.00 C ATOM 575 CD LYS A 160 -2.777 -0.568 -8.343 1.00 0.00 C ATOM 576 CE LYS A 160 -3.041 0.451 -7.247 1.00 0.00 C ATOM 577 NZ LYS A 160 -4.136 1.391 -7.614 1.00 0.00 N ATOM 0 H LYS A 160 1.576 -0.294 -6.372 1.00 0.00 H new ATOM 0 HA LYS A 160 -0.903 -0.974 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -0.491 -0.037 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.282 -1.529 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -1.700 -2.397 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -2.304 -2.203 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -2.340 -0.069 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -3.721 -1.004 -8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -3.302 -0.068 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -2.130 1.015 -7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -3.803 2.370 -7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -4.417 1.228 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -4.953 1.232 -6.991 1.00 0.00 H new ATOM 591 N GLU A 161 1.021 -3.545 -5.941 1.00 0.00 N ATOM 592 CA GLU A 161 1.168 -4.982 -5.751 1.00 0.00 C ATOM 593 C GLU A 161 1.060 -5.341 -4.273 1.00 0.00 C ATOM 594 O GLU A 161 0.521 -6.388 -3.914 1.00 0.00 O ATOM 595 CB GLU A 161 2.512 -5.456 -6.307 1.00 0.00 C ATOM 596 CG GLU A 161 2.684 -5.188 -7.794 1.00 0.00 C ATOM 597 CD GLU A 161 2.231 -6.354 -8.652 1.00 0.00 C ATOM 598 OE1 GLU A 161 2.740 -7.475 -8.445 1.00 0.00 O ATOM 599 OE2 GLU A 161 1.369 -6.144 -9.531 1.00 0.00 O ATOM 0 H GLU A 161 1.876 -3.068 -6.229 1.00 0.00 H new ATOM 0 HA GLU A 161 0.365 -5.483 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 161 3.316 -4.962 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 161 2.614 -6.526 -6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 161 2.117 -4.298 -8.067 1.00 0.00 H new ATOM 0 HG3 GLU A 161 3.732 -4.974 -8.002 1.00 0.00 H new ATOM 606 N ASP A 162 1.574 -4.460 -3.418 1.00 0.00 N ATOM 607 CA ASP A 162 1.532 -4.681 -1.978 1.00 0.00 C ATOM 608 C ASP A 162 0.100 -4.601 -1.464 1.00 0.00 C ATOM 609 O ASP A 162 -0.350 -5.469 -0.715 1.00 0.00 O ATOM 610 CB ASP A 162 2.407 -3.655 -1.256 1.00 0.00 C ATOM 611 CG ASP A 162 3.887 -3.926 -1.440 1.00 0.00 C ATOM 612 OD1 ASP A 162 4.301 -5.094 -1.275 1.00 0.00 O ATOM 613 OD2 ASP A 162 4.631 -2.973 -1.748 1.00 0.00 O ATOM 0 H ASP A 162 2.023 -3.588 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 162 1.919 -5.679 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 162 2.174 -2.657 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 162 2.169 -3.662 -0.192 1.00 0.00 H new ATOM 618 N ILE A 163 -0.615 -3.560 -1.876 1.00 0.00 N ATOM 619 CA ILE A 163 -2.000 -3.376 -1.461 1.00 0.00 C ATOM 620 C ILE A 163 -2.856 -4.558 -1.906 1.00 0.00 C ATOM 621 O ILE A 163 -3.610 -5.126 -1.114 1.00 0.00 O ATOM 622 CB ILE A 163 -2.594 -2.072 -2.032 1.00 0.00 C ATOM 623 CG1 ILE A 163 -1.700 -0.882 -1.678 1.00 0.00 C ATOM 624 CG2 ILE A 163 -4.005 -1.854 -1.505 1.00 0.00 C ATOM 625 CD1 ILE A 163 -1.497 -0.701 -0.190 1.00 0.00 C ATOM 0 H ILE A 163 -0.259 -2.832 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 163 -2.005 -3.312 -0.373 1.00 0.00 H new ATOM 0 HB ILE A 163 -2.642 -2.159 -3.117 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -0.729 -1.012 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -2.139 0.027 -2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.409 -0.930 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.637 -2.691 -1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -3.981 -1.785 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -0.853 0.161 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.461 -0.539 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -1.030 -1.594 0.225 1.00 0.00 H new ATOM 637 N ASP A 164 -2.722 -4.932 -3.175 1.00 0.00 N ATOM 638 CA ASP A 164 -3.473 -6.056 -3.720 1.00 0.00 C ATOM 639 C ASP A 164 -3.159 -7.326 -2.939 1.00 0.00 C ATOM 640 O ASP A 164 -4.046 -8.132 -2.658 1.00 0.00 O ATOM 641 CB ASP A 164 -3.140 -6.254 -5.200 1.00 0.00 C ATOM 642 CG ASP A 164 -4.351 -6.658 -6.017 1.00 0.00 C ATOM 643 OD1 ASP A 164 -5.024 -7.639 -5.636 1.00 0.00 O ATOM 644 OD2 ASP A 164 -4.629 -5.993 -7.037 1.00 0.00 O ATOM 0 H ASP A 164 -2.102 -4.474 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 164 -4.537 -5.839 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 164 -2.725 -5.330 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 164 -2.369 -7.018 -5.297 1.00 0.00 H new ATOM 649 N ALA A 165 -1.889 -7.488 -2.580 1.00 0.00 N ATOM 650 CA ALA A 165 -1.453 -8.650 -1.818 1.00 0.00 C ATOM 651 C ALA A 165 -1.983 -8.580 -0.393 1.00 0.00 C ATOM 652 O ALA A 165 -2.311 -9.600 0.213 1.00 0.00 O ATOM 653 CB ALA A 165 0.065 -8.746 -1.818 1.00 0.00 C ATOM 0 H ALA A 165 -1.145 -6.828 -2.805 1.00 0.00 H new ATOM 0 HA ALA A 165 -1.855 -9.546 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 165 0.374 -9.620 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 165 0.424 -8.839 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 165 0.486 -7.848 -1.367 1.00 0.00 H new ATOM 659 N PHE A 166 -2.075 -7.362 0.134 1.00 0.00 N ATOM 660 CA PHE A 166 -2.578 -7.146 1.485 1.00 0.00 C ATOM 661 C PHE A 166 -3.998 -7.684 1.614 1.00 0.00 C ATOM 662 O PHE A 166 -4.310 -8.433 2.539 1.00 0.00 O ATOM 663 CB PHE A 166 -2.543 -5.654 1.827 1.00 0.00 C ATOM 664 CG PHE A 166 -3.215 -5.315 3.127 1.00 0.00 C ATOM 665 CD1 PHE A 166 -4.594 -5.194 3.199 1.00 0.00 C ATOM 666 CD2 PHE A 166 -2.467 -5.118 4.276 1.00 0.00 C ATOM 667 CE1 PHE A 166 -5.215 -4.886 4.393 1.00 0.00 C ATOM 668 CE2 PHE A 166 -3.082 -4.809 5.473 1.00 0.00 C ATOM 669 CZ PHE A 166 -4.459 -4.693 5.532 1.00 0.00 C ATOM 0 H PHE A 166 -1.807 -6.509 -0.356 1.00 0.00 H new ATOM 0 HA PHE A 166 -1.939 -7.682 2.186 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -1.505 -5.324 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.023 -5.095 1.024 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.190 -5.342 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -1.391 -5.207 4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.290 -4.796 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -2.488 -4.658 6.362 1.00 0.00 H new ATOM 0 HZ PHE A 166 -4.942 -4.452 6.467 1.00 0.00 H new ATOM 679 N LEU A 167 -4.856 -7.293 0.678 1.00 0.00 N ATOM 680 CA LEU A 167 -6.242 -7.730 0.677 1.00 0.00 C ATOM 681 C LEU A 167 -6.347 -9.213 0.339 1.00 0.00 C ATOM 682 O LEU A 167 -7.205 -9.922 0.865 1.00 0.00 O ATOM 683 CB LEU A 167 -7.044 -6.907 -0.327 1.00 0.00 C ATOM 684 CG LEU A 167 -6.766 -5.401 -0.297 1.00 0.00 C ATOM 685 CD1 LEU A 167 -6.598 -4.859 -1.709 1.00 0.00 C ATOM 686 CD2 LEU A 167 -7.885 -4.668 0.429 1.00 0.00 C ATOM 0 H LEU A 167 -4.611 -6.671 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 167 -6.650 -7.579 1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -6.835 -7.280 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -8.106 -7.069 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 167 -5.836 -5.233 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -6.401 -3.788 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -5.762 -5.362 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -7.510 -5.038 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -7.672 -3.599 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -8.829 -4.844 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -7.956 -5.035 1.453 1.00 0.00 H new ATOM 698 N ALA A 168 -5.468 -9.675 -0.543 1.00 0.00 N ATOM 699 CA ALA A 168 -5.461 -11.074 -0.954 1.00 0.00 C ATOM 700 C ALA A 168 -5.107 -11.991 0.213 1.00 0.00 C ATOM 701 O ALA A 168 -5.476 -13.165 0.225 1.00 0.00 O ATOM 702 CB ALA A 168 -4.485 -11.280 -2.103 1.00 0.00 C ATOM 0 H ALA A 168 -4.751 -9.101 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 168 -6.465 -11.332 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 168 -4.489 -12.329 -2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 168 -4.784 -10.662 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 168 -3.482 -10.998 -1.783 1.00 0.00 H new ATOM 708 N GLY A 169 -4.389 -11.450 1.192 1.00 0.00 N ATOM 709 CA GLY A 169 -4.001 -12.236 2.348 1.00 0.00 C ATOM 710 C GLY A 169 -2.659 -12.916 2.162 1.00 0.00 C ATOM 711 O GLY A 169 -2.408 -13.977 2.734 1.00 0.00 O ATOM 0 H GLY A 169 -4.069 -10.482 1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 169 -3.959 -11.590 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 169 -4.763 -12.990 2.543 1.00 0.00 H new ATOM 715 N GLY A 170 -1.793 -12.304 1.361 1.00 0.00 N ATOM 716 CA GLY A 170 -0.480 -12.871 1.115 1.00 0.00 C ATOM 717 C GLY A 170 -0.551 -14.223 0.430 1.00 0.00 C ATOM 718 O GLY A 170 0.510 -14.731 0.010 1.00 0.00 O ATOM 719 OXT GLY A 170 -1.667 -14.772 0.315 1.00 0.00 O ATOM 0 H GLY A 170 -1.977 -11.425 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 170 0.099 -12.184 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 170 0.051 -12.974 2.061 1.00 0.00 H new TER 723 GLY A 170