USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=6 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 Set 1.1: A 138 TYR OH : rot 158:sc= 0.145 USER MOD Set 1.2: A 142 LYS NZ :NH3+ 164:sc= 0.21 (180deg=-0.416) USER MOD Set 2.1: A 132 MET CE :methyl -104:sc= -0.0864 (180deg=-0.393) USER MOD Set 2.2: A 134 SER OG : rot 177:sc= -0.0054 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.5) 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 X(o=0,f=0) USER MOD Single : A 160 LYS NZ :NH3+ 176:sc= 0.0245 (180deg=0.0208) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -5.248 10.525 -15.400 1.00 0.00 N ATOM 2 CA ASN A 126 -4.727 9.323 -14.700 1.00 0.00 C ATOM 3 C ASN A 126 -5.750 8.775 -13.710 1.00 0.00 C ATOM 4 O ASN A 126 -6.543 9.526 -13.142 1.00 0.00 O ATOM 5 CB ASN A 126 -3.438 9.706 -13.970 1.00 0.00 C ATOM 6 CG ASN A 126 -2.224 9.656 -14.877 1.00 0.00 C ATOM 7 OD1 ASN A 126 -1.708 10.690 -15.301 1.00 0.00 O ATOM 8 ND2 ASN A 126 -1.761 8.449 -15.179 1.00 0.00 N ATOM 0 HA ASN A 126 -4.527 8.540 -15.432 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.541 10.711 -13.560 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.287 9.032 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -0.946 8.352 -15.785 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.220 7.618 -14.805 1.00 0.00 H new ATOM 17 N ARG A 127 -5.726 7.461 -13.510 1.00 0.00 N ATOM 18 CA ARG A 127 -6.651 6.812 -12.589 1.00 0.00 C ATOM 19 C ARG A 127 -6.056 6.721 -11.186 1.00 0.00 C ATOM 20 O ARG A 127 -6.786 6.663 -10.196 1.00 0.00 O ATOM 21 CB ARG A 127 -7.008 5.412 -13.096 1.00 0.00 C ATOM 22 CG ARG A 127 -8.469 5.046 -12.894 1.00 0.00 C ATOM 23 CD ARG A 127 -8.708 3.561 -13.114 1.00 0.00 C ATOM 24 NE ARG A 127 -8.788 2.827 -11.854 1.00 0.00 N ATOM 25 CZ ARG A 127 -9.165 1.554 -11.760 1.00 0.00 C ATOM 26 NH1 ARG A 127 -9.498 0.872 -12.849 1.00 0.00 N ATOM 27 NH2 ARG A 127 -9.210 0.962 -10.575 1.00 0.00 N ATOM 0 H ARG A 127 -5.076 6.826 -13.973 1.00 0.00 H new ATOM 0 HA ARG A 127 -7.556 7.417 -12.539 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.769 5.347 -14.158 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.384 4.679 -12.584 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.777 5.319 -11.885 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -9.088 5.621 -13.583 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.633 3.422 -13.674 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -7.902 3.150 -13.722 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.540 3.319 -10.995 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -9.466 1.323 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -9.786 -0.103 -12.772 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -8.956 1.482 -9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -9.499 -0.014 -10.503 1.00 0.00 H new ATOM 41 N ARG A 128 -4.728 6.711 -11.107 1.00 0.00 N ATOM 42 CA ARG A 128 -4.038 6.628 -9.824 1.00 0.00 C ATOM 43 C ARG A 128 -4.322 5.295 -9.139 1.00 0.00 C ATOM 44 O ARG A 128 -4.884 4.382 -9.744 1.00 0.00 O ATOM 45 CB ARG A 128 -4.459 7.787 -8.916 1.00 0.00 C ATOM 46 CG ARG A 128 -3.287 8.577 -8.358 1.00 0.00 C ATOM 47 CD ARG A 128 -3.694 9.999 -8.002 1.00 0.00 C ATOM 48 NE ARG A 128 -4.372 10.667 -9.110 1.00 0.00 N ATOM 49 CZ ARG A 128 -5.051 11.805 -8.985 1.00 0.00 C ATOM 50 NH1 ARG A 128 -5.143 12.406 -7.805 1.00 0.00 N ATOM 51 NH2 ARG A 128 -5.640 12.345 -10.043 1.00 0.00 N ATOM 0 H ARG A 128 -4.109 6.759 -11.916 1.00 0.00 H new ATOM 0 HA ARG A 128 -2.966 6.697 -10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.107 8.461 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -5.049 7.394 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.898 8.076 -7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -2.481 8.601 -9.091 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.351 9.981 -7.133 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -2.809 10.570 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.322 10.236 -10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.692 11.996 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -5.665 13.278 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.573 11.888 -10.953 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.160 13.217 -9.947 1.00 0.00 H new ATOM 65 N VAL A 129 -3.930 5.190 -7.873 1.00 0.00 N ATOM 66 CA VAL A 129 -4.144 3.968 -7.105 1.00 0.00 C ATOM 67 C VAL A 129 -4.835 4.267 -5.780 1.00 0.00 C ATOM 68 O VAL A 129 -4.784 5.392 -5.282 1.00 0.00 O ATOM 69 CB VAL A 129 -2.819 3.230 -6.821 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.069 1.743 -6.633 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.808 3.468 -7.936 1.00 0.00 C ATOM 0 H VAL A 129 -3.463 5.936 -7.357 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.781 3.327 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.400 3.631 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.124 1.238 -6.434 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.746 1.591 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.516 1.332 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.884 2.936 -7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.214 3.103 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.601 4.535 -8.018 1.00 0.00 H new ATOM 81 N ILE A 130 -5.484 3.254 -5.212 1.00 0.00 N ATOM 82 CA ILE A 130 -6.185 3.410 -3.943 1.00 0.00 C ATOM 83 C ILE A 130 -5.272 3.086 -2.767 1.00 0.00 C ATOM 84 O ILE A 130 -4.810 1.954 -2.615 1.00 0.00 O ATOM 85 CB ILE A 130 -7.436 2.514 -3.878 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.312 2.748 -5.107 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.223 2.786 -2.603 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.067 1.755 -6.223 1.00 0.00 C ATOM 0 H ILE A 130 -5.538 2.317 -5.611 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.495 4.453 -3.878 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.119 1.471 -3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.360 2.698 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.135 3.756 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.103 2.144 -2.575 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.595 2.579 -1.737 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.535 3.830 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.724 1.982 -7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -7.028 1.820 -6.547 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.272 0.746 -5.864 1.00 0.00 H new ATOM 100 N ALA A 131 -5.020 4.091 -1.936 1.00 0.00 N ATOM 101 CA ALA A 131 -4.161 3.922 -0.769 1.00 0.00 C ATOM 102 C ALA A 131 -4.240 5.136 0.151 1.00 0.00 C ATOM 103 O ALA A 131 -4.357 6.270 -0.312 1.00 0.00 O ATOM 104 CB ALA A 131 -2.724 3.680 -1.203 1.00 0.00 C ATOM 0 H ALA A 131 -5.398 5.032 -2.048 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.512 3.053 -0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.094 3.556 -0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.675 2.779 -1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.371 4.532 -1.784 1.00 0.00 H new ATOM 110 N MET A 132 -4.173 4.890 1.456 1.00 0.00 N ATOM 111 CA MET A 132 -4.235 5.963 2.439 1.00 0.00 C ATOM 112 C MET A 132 -3.103 6.965 2.220 1.00 0.00 C ATOM 113 O MET A 132 -2.012 6.596 1.786 1.00 0.00 O ATOM 114 CB MET A 132 -4.161 5.388 3.856 1.00 0.00 C ATOM 115 CG MET A 132 -5.495 5.389 4.584 1.00 0.00 C ATOM 116 SD MET A 132 -5.423 4.531 6.168 1.00 0.00 S ATOM 117 CE MET A 132 -4.236 5.543 7.048 1.00 0.00 C ATOM 0 H MET A 132 -4.076 3.957 1.856 1.00 0.00 H new ATOM 0 HA MET A 132 -5.185 6.484 2.317 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.785 4.366 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.440 5.964 4.436 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.815 6.418 4.747 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.249 4.917 3.954 1.00 0.00 H new ATOM 0 HE1 MET A 132 -3.275 5.030 7.082 1.00 0.00 H new ATOM 0 HE2 MET A 132 -4.120 6.497 6.534 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.590 5.719 8.064 1.00 0.00 H new ATOM 127 N PRO A 133 -3.348 8.253 2.522 1.00 0.00 N ATOM 128 CA PRO A 133 -2.342 9.306 2.355 1.00 0.00 C ATOM 129 C PRO A 133 -1.023 8.961 3.038 1.00 0.00 C ATOM 130 O PRO A 133 0.038 9.445 2.640 1.00 0.00 O ATOM 131 CB PRO A 133 -2.987 10.524 3.023 1.00 0.00 C ATOM 132 CG PRO A 133 -4.452 10.270 2.937 1.00 0.00 C ATOM 133 CD PRO A 133 -4.622 8.781 3.046 1.00 0.00 C ATOM 0 HA PRO A 133 -2.087 9.463 1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.663 10.626 4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -2.714 11.447 2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -4.984 10.783 3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.858 10.641 1.996 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.792 8.470 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.473 8.430 2.462 1.00 0.00 H new ATOM 141 N SER A 134 -1.096 8.125 4.067 1.00 0.00 N ATOM 142 CA SER A 134 0.094 7.717 4.805 1.00 0.00 C ATOM 143 C SER A 134 0.741 6.493 4.165 1.00 0.00 C ATOM 144 O SER A 134 1.966 6.372 4.134 1.00 0.00 O ATOM 145 CB SER A 134 -0.264 7.414 6.262 1.00 0.00 C ATOM 146 OG SER A 134 -1.342 6.497 6.343 1.00 0.00 O ATOM 0 H SER A 134 -1.966 7.717 4.409 1.00 0.00 H new ATOM 0 HA SER A 134 0.808 8.540 4.775 1.00 0.00 H new ATOM 0 HB2 SER A 134 0.606 7.004 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.530 8.339 6.774 1.00 0.00 H new ATOM 0 HG SER A 134 -1.519 6.282 7.283 1.00 0.00 H new ATOM 152 N VAL A 135 -0.087 5.587 3.656 1.00 0.00 N ATOM 153 CA VAL A 135 0.412 4.374 3.020 1.00 0.00 C ATOM 154 C VAL A 135 1.150 4.689 1.734 1.00 0.00 C ATOM 155 O VAL A 135 2.234 4.167 1.487 1.00 0.00 O ATOM 156 CB VAL A 135 -0.722 3.387 2.706 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.161 2.105 2.109 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.524 3.096 3.958 1.00 0.00 C ATOM 0 H VAL A 135 -1.104 5.669 3.671 1.00 0.00 H new ATOM 0 HA VAL A 135 1.098 3.915 3.732 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.388 3.839 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.978 1.417 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.373 2.336 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.525 1.643 2.819 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.325 2.395 3.722 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.872 2.660 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.953 4.023 4.339 1.00 0.00 H new ATOM 168 N ARG A 136 0.562 5.548 0.916 1.00 0.00 N ATOM 169 CA ARG A 136 1.181 5.925 -0.345 1.00 0.00 C ATOM 170 C ARG A 136 2.590 6.446 -0.092 1.00 0.00 C ATOM 171 O ARG A 136 3.480 6.293 -0.924 1.00 0.00 O ATOM 172 CB ARG A 136 0.346 6.994 -1.054 1.00 0.00 C ATOM 173 CG ARG A 136 -1.084 6.562 -1.335 1.00 0.00 C ATOM 174 CD ARG A 136 -1.859 7.642 -2.073 1.00 0.00 C ATOM 175 NE ARG A 136 -1.966 8.872 -1.290 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.881 9.813 -1.510 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.769 9.672 -2.487 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.908 10.900 -0.750 1.00 0.00 N ATOM 0 H ARG A 136 -0.336 5.994 1.101 1.00 0.00 H new ATOM 0 HA ARG A 136 1.233 5.045 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.331 7.896 -0.442 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.829 7.255 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.079 5.647 -1.928 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.586 6.330 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -1.367 7.858 -3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -2.858 7.274 -2.309 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.301 9.017 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.753 8.838 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.467 10.397 -2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.228 11.014 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.609 11.622 -0.917 1.00 0.00 H new ATOM 192 N LYS A 137 2.784 7.040 1.082 1.00 0.00 N ATOM 193 CA LYS A 137 4.082 7.564 1.473 1.00 0.00 C ATOM 194 C LYS A 137 4.993 6.431 1.919 1.00 0.00 C ATOM 195 O LYS A 137 6.182 6.409 1.602 1.00 0.00 O ATOM 196 CB LYS A 137 3.927 8.587 2.601 1.00 0.00 C ATOM 197 CG LYS A 137 5.247 9.193 3.058 1.00 0.00 C ATOM 198 CD LYS A 137 5.453 9.029 4.556 1.00 0.00 C ATOM 199 CE LYS A 137 5.205 10.332 5.300 1.00 0.00 C ATOM 200 NZ LYS A 137 3.853 10.366 5.923 1.00 0.00 N ATOM 0 H LYS A 137 2.052 7.169 1.780 1.00 0.00 H new ATOM 0 HA LYS A 137 4.530 8.059 0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.266 9.387 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.443 8.107 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 137 6.070 8.718 2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.269 10.252 2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 137 4.780 8.259 4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 137 6.470 8.687 4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.964 10.460 6.072 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.308 11.170 4.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 3.723 11.270 6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 3.128 10.270 5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 3.763 9.582 6.600 1.00 0.00 H new ATOM 214 N TYR A 138 4.420 5.492 2.668 1.00 0.00 N ATOM 215 CA TYR A 138 5.175 4.356 3.172 1.00 0.00 C ATOM 216 C TYR A 138 5.653 3.471 2.026 1.00 0.00 C ATOM 217 O TYR A 138 6.830 3.118 1.954 1.00 0.00 O ATOM 218 CB TYR A 138 4.304 3.545 4.122 1.00 0.00 C ATOM 219 CG TYR A 138 4.980 2.292 4.621 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.156 2.359 5.357 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.452 1.042 4.338 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.783 1.211 5.800 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.071 -0.107 4.778 1.00 0.00 C ATOM 224 CZ TYR A 138 6.237 -0.020 5.508 1.00 0.00 C ATOM 225 OH TYR A 138 6.858 -1.167 5.947 1.00 0.00 O ATOM 0 H TYR A 138 3.436 5.498 2.937 1.00 0.00 H new ATOM 0 HA TYR A 138 6.049 4.729 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.030 4.167 4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.378 3.274 3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.586 3.323 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.541 0.968 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.696 1.278 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.644 -1.073 4.552 1.00 0.00 H new ATOM 0 HH TYR A 138 6.207 -1.899 5.981 1.00 0.00 H new ATOM 235 N ALA A 139 4.744 3.145 1.117 1.00 0.00 N ATOM 236 CA ALA A 139 5.090 2.337 -0.039 1.00 0.00 C ATOM 237 C ALA A 139 6.054 3.120 -0.908 1.00 0.00 C ATOM 238 O ALA A 139 7.083 2.614 -1.338 1.00 0.00 O ATOM 239 CB ALA A 139 3.842 1.965 -0.829 1.00 0.00 C ATOM 0 H ALA A 139 3.765 3.428 1.159 1.00 0.00 H new ATOM 0 HA ALA A 139 5.561 1.411 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.124 1.360 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.164 1.396 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.344 2.872 -1.170 1.00 0.00 H new ATOM 245 N ARG A 140 5.716 4.381 -1.133 1.00 0.00 N ATOM 246 CA ARG A 140 6.554 5.265 -1.927 1.00 0.00 C ATOM 247 C ARG A 140 7.974 5.296 -1.364 1.00 0.00 C ATOM 248 O ARG A 140 8.945 5.455 -2.105 1.00 0.00 O ATOM 249 CB ARG A 140 5.958 6.676 -1.939 1.00 0.00 C ATOM 250 CG ARG A 140 6.809 7.696 -2.678 1.00 0.00 C ATOM 251 CD ARG A 140 6.218 8.025 -4.038 1.00 0.00 C ATOM 252 NE ARG A 140 7.188 8.676 -4.915 1.00 0.00 N ATOM 253 CZ ARG A 140 8.167 8.031 -5.547 1.00 0.00 C ATOM 254 NH1 ARG A 140 8.308 6.720 -5.400 1.00 0.00 N ATOM 255 NH2 ARG A 140 9.006 8.700 -6.325 1.00 0.00 N ATOM 0 H ARG A 140 4.865 4.815 -0.776 1.00 0.00 H new ATOM 0 HA ARG A 140 6.595 4.889 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.971 6.639 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.818 7.010 -0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 140 6.888 8.606 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.820 7.308 -2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.861 7.109 -4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.353 8.675 -3.909 1.00 0.00 H new ATOM 0 HE ARG A 140 7.111 9.684 -5.051 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.665 6.202 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.059 6.230 -5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 140 8.902 9.708 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 140 9.756 8.207 -6.809 1.00 0.00 H new ATOM 269 N GLU A 141 8.084 5.137 -0.048 1.00 0.00 N ATOM 270 CA GLU A 141 9.376 5.140 0.622 1.00 0.00 C ATOM 271 C GLU A 141 10.019 3.763 0.577 1.00 0.00 C ATOM 272 O GLU A 141 11.234 3.635 0.429 1.00 0.00 O ATOM 273 CB GLU A 141 9.210 5.587 2.073 1.00 0.00 C ATOM 274 CG GLU A 141 9.026 7.087 2.236 1.00 0.00 C ATOM 275 CD GLU A 141 10.299 7.786 2.674 1.00 0.00 C ATOM 276 OE1 GLU A 141 10.721 7.581 3.832 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.873 8.540 1.860 1.00 0.00 O ATOM 0 H GLU A 141 7.288 5.004 0.576 1.00 0.00 H new ATOM 0 HA GLU A 141 10.028 5.839 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.349 5.076 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.085 5.274 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.689 7.513 1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.242 7.276 2.969 1.00 0.00 H new ATOM 284 N LYS A 142 9.193 2.734 0.721 1.00 0.00 N ATOM 285 CA LYS A 142 9.669 1.360 0.715 1.00 0.00 C ATOM 286 C LYS A 142 9.817 0.813 -0.705 1.00 0.00 C ATOM 287 O LYS A 142 9.790 -0.399 -0.909 1.00 0.00 O ATOM 288 CB LYS A 142 8.687 0.489 1.503 1.00 0.00 C ATOM 289 CG LYS A 142 8.627 0.799 2.995 1.00 0.00 C ATOM 290 CD LYS A 142 9.994 1.144 3.568 1.00 0.00 C ATOM 291 CE LYS A 142 9.905 1.508 5.040 1.00 0.00 C ATOM 292 NZ LYS A 142 9.777 0.302 5.905 1.00 0.00 N ATOM 0 H LYS A 142 8.185 2.828 0.844 1.00 0.00 H new ATOM 0 HA LYS A 142 10.655 1.339 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.690 0.611 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.963 -0.557 1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.944 1.632 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.219 -0.061 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.667 0.296 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.423 1.977 3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 142 10.793 2.069 5.329 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.048 2.162 5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 9.989 0.558 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 8.807 -0.067 5.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.446 -0.427 5.585 1.00 0.00 H new ATOM 306 N GLY A 143 9.968 1.700 -1.687 1.00 0.00 N ATOM 307 CA GLY A 143 10.105 1.249 -3.065 1.00 0.00 C ATOM 308 C GLY A 143 8.903 0.442 -3.528 1.00 0.00 C ATOM 309 O GLY A 143 8.964 -0.265 -4.535 1.00 0.00 O ATOM 0 H GLY A 143 9.998 2.711 -1.557 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.233 2.113 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.006 0.642 -3.159 1.00 0.00 H new ATOM 313 N VAL A 144 7.810 0.556 -2.783 1.00 0.00 N ATOM 314 CA VAL A 144 6.569 -0.144 -3.082 1.00 0.00 C ATOM 315 C VAL A 144 5.573 0.793 -3.749 1.00 0.00 C ATOM 316 O VAL A 144 5.405 1.938 -3.330 1.00 0.00 O ATOM 317 CB VAL A 144 5.926 -0.687 -1.793 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.647 -1.449 -2.104 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.905 -1.558 -1.027 1.00 0.00 C ATOM 0 H VAL A 144 7.761 1.141 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 144 6.813 -0.969 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 144 5.665 0.162 -1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.212 -1.823 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.937 -0.784 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.874 -2.288 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.428 -1.930 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.207 -2.400 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.783 -0.970 -0.760 1.00 0.00 H new ATOM 329 N ASP A 145 4.892 0.291 -4.765 1.00 0.00 N ATOM 330 CA ASP A 145 3.887 1.066 -5.463 1.00 0.00 C ATOM 331 C ASP A 145 2.536 0.406 -5.263 1.00 0.00 C ATOM 332 O ASP A 145 2.380 -0.783 -5.517 1.00 0.00 O ATOM 333 CB ASP A 145 4.218 1.176 -6.954 1.00 0.00 C ATOM 334 CG ASP A 145 3.374 2.220 -7.658 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.135 2.175 -7.516 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.954 3.082 -8.352 1.00 0.00 O ATOM 0 H ASP A 145 5.020 -0.655 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 145 3.865 2.078 -5.058 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.273 1.426 -7.072 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.065 0.207 -7.430 1.00 0.00 H new ATOM 341 N ILE A 146 1.569 1.173 -4.783 1.00 0.00 N ATOM 342 CA ILE A 146 0.233 0.647 -4.526 1.00 0.00 C ATOM 343 C ILE A 146 -0.274 -0.211 -5.689 1.00 0.00 C ATOM 344 O ILE A 146 -1.097 -1.106 -5.496 1.00 0.00 O ATOM 345 CB ILE A 146 -0.775 1.782 -4.257 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.253 2.722 -3.167 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.125 1.211 -3.855 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.095 2.054 -1.817 1.00 0.00 C ATOM 0 H ILE A 146 1.682 2.162 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 146 0.313 0.021 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.897 2.353 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.710 3.127 -3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.936 3.566 -3.068 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.824 2.026 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.507 0.581 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.013 0.615 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.278 2.779 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.061 1.674 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.611 1.228 -1.900 1.00 0.00 H new ATOM 360 N ARG A 147 0.227 0.059 -6.893 1.00 0.00 N ATOM 361 CA ARG A 147 -0.183 -0.698 -8.074 1.00 0.00 C ATOM 362 C ARG A 147 0.210 -2.163 -7.934 1.00 0.00 C ATOM 363 O ARG A 147 -0.520 -3.062 -8.347 1.00 0.00 O ATOM 364 CB ARG A 147 0.450 -0.104 -9.332 1.00 0.00 C ATOM 365 CG ARG A 147 -0.394 0.977 -9.987 1.00 0.00 C ATOM 366 CD ARG A 147 0.010 1.198 -11.435 1.00 0.00 C ATOM 367 NE ARG A 147 -1.006 1.935 -12.180 1.00 0.00 N ATOM 368 CZ ARG A 147 -1.077 1.961 -13.509 1.00 0.00 C ATOM 369 NH1 ARG A 147 -0.195 1.294 -14.242 1.00 0.00 N ATOM 370 NH2 ARG A 147 -2.035 2.657 -14.108 1.00 0.00 N ATOM 0 H ARG A 147 0.913 0.791 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.268 -0.635 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.424 0.313 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.625 -0.903 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.446 0.697 -9.941 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.288 1.909 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.952 1.745 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 147 0.183 0.234 -11.914 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.702 2.461 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 147 0.543 0.757 -13.788 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -0.255 1.318 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -2.716 3.172 -13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -2.090 2.677 -15.126 1.00 0.00 H new ATOM 384 N LEU A 148 1.373 -2.384 -7.340 1.00 0.00 N ATOM 385 CA LEU A 148 1.894 -3.722 -7.119 1.00 0.00 C ATOM 386 C LEU A 148 1.357 -4.307 -5.813 1.00 0.00 C ATOM 387 O LEU A 148 1.603 -5.470 -5.500 1.00 0.00 O ATOM 388 CB LEU A 148 3.424 -3.684 -7.075 1.00 0.00 C ATOM 389 CG LEU A 148 4.063 -2.494 -7.796 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.572 -2.509 -7.637 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.683 -2.495 -9.267 1.00 0.00 C ATOM 0 H LEU A 148 1.981 -1.640 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 148 1.568 -4.357 -7.943 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.742 -3.671 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.808 -4.605 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 148 3.683 -1.579 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.001 -1.653 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.827 -2.454 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.973 -3.430 -8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.146 -1.642 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.030 -3.418 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.599 -2.426 -9.363 1.00 0.00 H new ATOM 403 N VAL A 149 0.631 -3.491 -5.049 1.00 0.00 N ATOM 404 CA VAL A 149 0.079 -3.934 -3.776 1.00 0.00 C ATOM 405 C VAL A 149 -1.445 -3.965 -3.813 1.00 0.00 C ATOM 406 O VAL A 149 -2.090 -2.955 -4.096 1.00 0.00 O ATOM 407 CB VAL A 149 0.534 -3.022 -2.618 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.392 -3.739 -1.284 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.969 -2.550 -2.826 1.00 0.00 C ATOM 0 H VAL A 149 0.414 -2.524 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 149 0.454 -4.943 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.111 -2.143 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.718 -3.079 -0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.651 -4.014 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 149 1.007 -4.639 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.265 -1.909 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.633 -3.413 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.036 -1.990 -3.759 1.00 0.00 H new ATOM 419 N GLN A 150 -2.014 -5.130 -3.520 1.00 0.00 N ATOM 420 CA GLN A 150 -3.463 -5.295 -3.514 1.00 0.00 C ATOM 421 C GLN A 150 -4.041 -4.899 -2.159 1.00 0.00 C ATOM 422 O GLN A 150 -3.890 -5.623 -1.174 1.00 0.00 O ATOM 423 CB GLN A 150 -3.833 -6.742 -3.842 1.00 0.00 C ATOM 424 CG GLN A 150 -4.880 -6.869 -4.938 1.00 0.00 C ATOM 425 CD GLN A 150 -4.958 -8.271 -5.510 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.579 -9.242 -4.855 1.00 0.00 O ATOM 427 NE2 GLN A 150 -5.453 -8.383 -6.736 1.00 0.00 N ATOM 0 H GLN A 150 -1.493 -5.974 -3.283 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.887 -4.642 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.934 -7.278 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.204 -7.227 -2.939 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.855 -6.589 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.650 -6.166 -5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.755 -7.550 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.532 -9.302 -7.172 1.00 0.00 H new ATOM 436 N GLY A 151 -4.696 -3.744 -2.113 1.00 0.00 N ATOM 437 CA GLY A 151 -5.277 -3.272 -0.873 1.00 0.00 C ATOM 438 C GLY A 151 -6.573 -3.977 -0.525 1.00 0.00 C ATOM 439 O GLY A 151 -7.422 -4.192 -1.390 1.00 0.00 O ATOM 0 H GLY A 151 -4.834 -3.127 -2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.561 -3.417 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.461 -2.200 -0.948 1.00 0.00 H new ATOM 443 N THR A 152 -6.722 -4.338 0.745 1.00 0.00 N ATOM 444 CA THR A 152 -7.923 -5.022 1.212 1.00 0.00 C ATOM 445 C THR A 152 -8.655 -4.190 2.263 1.00 0.00 C ATOM 446 O THR A 152 -9.365 -4.732 3.110 1.00 0.00 O ATOM 447 CB THR A 152 -7.560 -6.392 1.790 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.203 -6.422 2.194 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.773 -7.529 0.814 1.00 0.00 C ATOM 0 H THR A 152 -6.025 -4.168 1.470 1.00 0.00 H new ATOM 0 HA THR A 152 -8.588 -5.158 0.359 1.00 0.00 H new ATOM 0 HB THR A 152 -8.229 -6.533 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.991 -7.305 2.562 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.497 -8.471 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.822 -7.565 0.520 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.154 -7.371 -0.069 1.00 0.00 H new ATOM 457 N GLY A 153 -8.471 -2.873 2.210 1.00 0.00 N ATOM 458 CA GLY A 153 -9.117 -1.997 3.172 1.00 0.00 C ATOM 459 C GLY A 153 -10.301 -1.250 2.590 1.00 0.00 C ATOM 460 O GLY A 153 -10.243 -0.757 1.464 1.00 0.00 O ATOM 0 H GLY A 153 -7.888 -2.398 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.450 -2.587 4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.389 -1.278 3.547 1.00 0.00 H new ATOM 464 N LYS A 154 -11.377 -1.163 3.365 1.00 0.00 N ATOM 465 CA LYS A 154 -12.587 -0.467 2.934 1.00 0.00 C ATOM 466 C LYS A 154 -13.076 -0.981 1.578 1.00 0.00 C ATOM 467 O LYS A 154 -13.869 -1.919 1.513 1.00 0.00 O ATOM 468 CB LYS A 154 -12.338 1.043 2.876 1.00 0.00 C ATOM 469 CG LYS A 154 -12.667 1.764 4.172 1.00 0.00 C ATOM 470 CD LYS A 154 -14.121 2.211 4.207 1.00 0.00 C ATOM 471 CE LYS A 154 -14.380 3.342 3.225 1.00 0.00 C ATOM 472 NZ LYS A 154 -15.282 4.378 3.797 1.00 0.00 N ATOM 0 H LYS A 154 -11.437 -1.568 4.299 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.369 -0.669 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.292 1.221 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.935 1.471 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.467 1.105 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -12.016 2.631 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -14.768 1.367 3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.378 2.537 5.215 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.433 3.801 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.823 2.938 2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -15.434 5.131 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.195 3.946 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.849 4.782 4.652 1.00 0.00 H new ATOM 486 N ASN A 155 -12.602 -0.363 0.496 1.00 0.00 N ATOM 487 CA ASN A 155 -13.000 -0.765 -0.849 1.00 0.00 C ATOM 488 C ASN A 155 -11.817 -1.340 -1.622 1.00 0.00 C ATOM 489 O ASN A 155 -11.764 -1.253 -2.848 1.00 0.00 O ATOM 490 CB ASN A 155 -13.588 0.426 -1.607 1.00 0.00 C ATOM 491 CG ASN A 155 -15.090 0.536 -1.437 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.857 -0.015 -2.225 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.518 1.251 -0.402 1.00 0.00 N ATOM 0 H ASN A 155 -11.944 0.416 0.526 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.760 -1.541 -0.757 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -13.117 1.344 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.351 0.331 -2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.519 1.360 -0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.846 1.691 0.227 1.00 0.00 H new ATOM 500 N GLY A 156 -10.870 -1.925 -0.896 1.00 0.00 N ATOM 501 CA GLY A 156 -9.702 -2.505 -1.532 1.00 0.00 C ATOM 502 C GLY A 156 -8.486 -1.598 -1.462 1.00 0.00 C ATOM 503 O GLY A 156 -7.498 -1.824 -2.161 1.00 0.00 O ATOM 0 H GLY A 156 -10.891 -2.008 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.468 -3.457 -1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -9.931 -2.720 -2.576 1.00 0.00 H new ATOM 507 N ARG A 157 -8.554 -0.575 -0.616 1.00 0.00 N ATOM 508 CA ARG A 157 -7.447 0.362 -0.460 1.00 0.00 C ATOM 509 C ARG A 157 -6.267 -0.310 0.233 1.00 0.00 C ATOM 510 O ARG A 157 -6.445 -1.097 1.162 1.00 0.00 O ATOM 511 CB ARG A 157 -7.900 1.586 0.340 1.00 0.00 C ATOM 512 CG ARG A 157 -6.784 2.579 0.625 1.00 0.00 C ATOM 513 CD ARG A 157 -7.236 3.670 1.583 1.00 0.00 C ATOM 514 NE ARG A 157 -7.382 4.960 0.913 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.009 6.006 1.447 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.550 5.918 2.656 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.095 7.143 0.771 1.00 0.00 N ATOM 0 H ARG A 157 -9.363 -0.374 -0.028 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.127 0.685 -1.451 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.694 2.093 -0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.328 1.253 1.286 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -5.928 2.054 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.450 3.030 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.187 3.386 2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.514 3.762 2.394 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.980 5.065 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.487 5.046 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.029 6.723 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.681 7.216 -0.158 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.575 7.944 1.180 1.00 0.00 H new ATOM 531 N VAL A 158 -5.060 0.002 -0.231 1.00 0.00 N ATOM 532 CA VAL A 158 -3.851 -0.579 0.339 1.00 0.00 C ATOM 533 C VAL A 158 -3.490 0.088 1.662 1.00 0.00 C ATOM 534 O VAL A 158 -3.451 1.314 1.767 1.00 0.00 O ATOM 535 CB VAL A 158 -2.660 -0.475 -0.642 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.328 -0.652 0.076 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.798 -1.503 -1.751 1.00 0.00 C ATOM 0 H VAL A 158 -4.895 0.653 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.058 -1.633 0.523 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.675 0.524 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.513 -0.573 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.218 0.123 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.298 -1.632 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.952 -1.418 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.816 -2.504 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.725 -1.327 -2.297 1.00 0.00 H new ATOM 547 N LEU A 159 -3.221 -0.738 2.665 1.00 0.00 N ATOM 548 CA LEU A 159 -2.854 -0.251 3.987 1.00 0.00 C ATOM 549 C LEU A 159 -1.359 -0.421 4.221 1.00 0.00 C ATOM 550 O LEU A 159 -0.683 -1.118 3.466 1.00 0.00 O ATOM 551 CB LEU A 159 -3.635 -1.014 5.058 1.00 0.00 C ATOM 552 CG LEU A 159 -5.146 -0.754 5.083 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.740 -1.195 6.411 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.450 0.716 4.827 1.00 0.00 C ATOM 0 H LEU A 159 -3.251 -1.755 2.586 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.100 0.809 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.470 -2.082 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.224 -0.758 6.034 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.603 -1.339 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.813 -1.003 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.562 -2.261 6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.272 -0.638 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.528 0.874 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -4.978 1.325 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.062 1.003 3.850 1.00 0.00 H new ATOM 566 N LYS A 160 -0.840 0.202 5.274 1.00 0.00 N ATOM 567 CA LYS A 160 0.577 0.081 5.585 1.00 0.00 C ATOM 568 C LYS A 160 0.933 -1.384 5.785 1.00 0.00 C ATOM 569 O LYS A 160 2.017 -1.830 5.411 1.00 0.00 O ATOM 570 CB LYS A 160 0.935 0.888 6.834 1.00 0.00 C ATOM 571 CG LYS A 160 2.426 0.894 7.142 1.00 0.00 C ATOM 572 CD LYS A 160 2.712 0.368 8.540 1.00 0.00 C ATOM 573 CE LYS A 160 3.941 -0.526 8.560 1.00 0.00 C ATOM 574 NZ LYS A 160 3.597 -1.949 8.287 1.00 0.00 N ATOM 0 H LYS A 160 -1.372 0.788 5.918 1.00 0.00 H new ATOM 0 HA LYS A 160 1.151 0.482 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.594 1.915 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.396 0.479 7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.952 0.283 6.408 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.813 1.909 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.859 1.206 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 160 1.849 -0.190 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.656 -0.176 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.429 -0.450 9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.469 -2.514 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.988 -2.311 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 3.094 -2.017 7.379 1.00 0.00 H new ATOM 588 N GLU A 161 -0.007 -2.134 6.353 1.00 0.00 N ATOM 589 CA GLU A 161 0.189 -3.557 6.573 1.00 0.00 C ATOM 590 C GLU A 161 0.337 -4.257 5.230 1.00 0.00 C ATOM 591 O GLU A 161 1.101 -5.212 5.090 1.00 0.00 O ATOM 592 CB GLU A 161 -0.988 -4.149 7.352 1.00 0.00 C ATOM 593 CG GLU A 161 -1.155 -3.559 8.742 1.00 0.00 C ATOM 594 CD GLU A 161 -1.818 -4.522 9.707 1.00 0.00 C ATOM 595 OE1 GLU A 161 -2.489 -5.466 9.238 1.00 0.00 O ATOM 596 OE2 GLU A 161 -1.669 -4.332 10.933 1.00 0.00 O ATOM 0 H GLU A 161 -0.909 -1.778 6.668 1.00 0.00 H new ATOM 0 HA GLU A 161 1.094 -3.706 7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.905 -3.989 6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.851 -5.227 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.178 -3.275 9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.750 -2.648 8.677 1.00 0.00 H new ATOM 603 N ASP A 162 -0.390 -3.752 4.234 1.00 0.00 N ATOM 604 CA ASP A 162 -0.331 -4.307 2.888 1.00 0.00 C ATOM 605 C ASP A 162 1.046 -4.055 2.287 1.00 0.00 C ATOM 606 O ASP A 162 1.676 -4.959 1.737 1.00 0.00 O ATOM 607 CB ASP A 162 -1.410 -3.681 2.006 1.00 0.00 C ATOM 608 CG ASP A 162 -2.732 -4.416 2.094 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.736 -5.655 1.939 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.766 -3.750 2.319 1.00 0.00 O ATOM 0 H ASP A 162 -1.025 -2.960 4.336 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.508 -5.381 2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.556 -2.641 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.070 -3.675 0.970 1.00 0.00 H new ATOM 615 N ILE A 163 1.510 -2.816 2.415 1.00 0.00 N ATOM 616 CA ILE A 163 2.822 -2.423 1.906 1.00 0.00 C ATOM 617 C ILE A 163 3.903 -3.359 2.430 1.00 0.00 C ATOM 618 O ILE A 163 4.690 -3.913 1.662 1.00 0.00 O ATOM 619 CB ILE A 163 3.181 -0.981 2.327 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.067 -0.016 1.934 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.508 -0.552 1.705 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.780 -0.016 0.458 1.00 0.00 C ATOM 0 H ILE A 163 0.995 -2.062 2.869 1.00 0.00 H new ATOM 0 HA ILE A 163 2.772 -2.479 0.819 1.00 0.00 H new ATOM 0 HB ILE A 163 3.289 -0.958 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.158 -0.280 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.341 0.992 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.742 0.467 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.300 -1.223 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.431 -0.593 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.978 0.691 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.677 0.277 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.476 -1.015 0.146 1.00 0.00 H new ATOM 634 N ASP A 164 3.933 -3.528 3.748 1.00 0.00 N ATOM 635 CA ASP A 164 4.914 -4.395 4.384 1.00 0.00 C ATOM 636 C ASP A 164 4.804 -5.820 3.849 1.00 0.00 C ATOM 637 O ASP A 164 5.809 -6.461 3.546 1.00 0.00 O ATOM 638 CB ASP A 164 4.723 -4.391 5.901 1.00 0.00 C ATOM 639 CG ASP A 164 5.995 -4.747 6.646 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.943 -3.935 6.626 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.043 -5.841 7.249 1.00 0.00 O ATOM 0 H ASP A 164 3.288 -3.075 4.395 1.00 0.00 H new ATOM 0 HA ASP A 164 5.908 -4.012 4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.383 -3.405 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 164 3.939 -5.100 6.167 1.00 0.00 H new ATOM 646 N ALA A 165 3.570 -6.308 3.734 1.00 0.00 N ATOM 647 CA ALA A 165 3.322 -7.655 3.233 1.00 0.00 C ATOM 648 C ALA A 165 3.861 -7.816 1.816 1.00 0.00 C ATOM 649 O ALA A 165 4.348 -8.883 1.442 1.00 0.00 O ATOM 650 CB ALA A 165 1.833 -7.967 3.273 1.00 0.00 C ATOM 0 H ALA A 165 2.727 -5.789 3.982 1.00 0.00 H new ATOM 0 HA ALA A 165 3.846 -8.361 3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.662 -8.975 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.474 -7.898 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.295 -7.252 2.651 1.00 0.00 H new ATOM 656 N TRP A 166 3.777 -6.745 1.035 1.00 0.00 N ATOM 657 CA TRP A 166 4.262 -6.751 -0.335 1.00 0.00 C ATOM 658 C TRP A 166 5.757 -7.031 -0.361 1.00 0.00 C ATOM 659 O TRP A 166 6.219 -7.974 -1.004 1.00 0.00 O ATOM 660 CB TRP A 166 3.968 -5.400 -0.979 1.00 0.00 C ATOM 661 CG TRP A 166 4.230 -5.359 -2.451 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.445 -5.861 -3.446 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.359 -4.769 -3.089 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.027 -5.617 -4.668 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.203 -4.950 -4.472 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.486 -4.107 -2.618 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.138 -4.490 -5.393 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.417 -3.647 -3.531 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.237 -3.841 -4.906 1.00 0.00 C ATOM 0 H TRP A 166 3.374 -5.857 1.333 1.00 0.00 H new ATOM 0 HA TRP A 166 3.754 -7.536 -0.895 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.924 -5.142 -0.799 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.574 -4.637 -0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.506 -6.374 -3.297 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.643 -5.890 -5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.632 -3.955 -1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 6.000 -4.640 -6.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.297 -3.130 -3.178 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.982 -3.470 -5.595 1.00 0.00 H new ATOM 680 N LEU A 167 6.505 -6.201 0.354 1.00 0.00 N ATOM 681 CA LEU A 167 7.953 -6.344 0.436 1.00 0.00 C ATOM 682 C LEU A 167 8.332 -7.692 1.041 1.00 0.00 C ATOM 683 O LEU A 167 9.341 -8.291 0.668 1.00 0.00 O ATOM 684 CB LEU A 167 8.550 -5.211 1.274 1.00 0.00 C ATOM 685 CG LEU A 167 8.287 -3.807 0.733 1.00 0.00 C ATOM 686 CD1 LEU A 167 8.079 -2.819 1.869 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.431 -3.359 -0.163 1.00 0.00 C ATOM 0 H LEU A 167 6.130 -5.417 0.889 1.00 0.00 H new ATOM 0 HA LEU A 167 8.357 -6.292 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.149 -5.276 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.627 -5.361 1.347 1.00 0.00 H new ATOM 0 HG LEU A 167 7.374 -3.837 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.894 -1.826 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.224 -3.129 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.971 -2.792 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.227 -2.357 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.359 -3.350 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.528 -4.049 -1.001 1.00 0.00 H new ATOM 699 N ALA A 168 7.515 -8.162 1.978 1.00 0.00 N ATOM 700 CA ALA A 168 7.761 -9.439 2.638 1.00 0.00 C ATOM 701 C ALA A 168 7.499 -10.610 1.694 1.00 0.00 C ATOM 702 O ALA A 168 8.034 -11.703 1.883 1.00 0.00 O ATOM 703 CB ALA A 168 6.898 -9.562 3.885 1.00 0.00 C ATOM 0 H ALA A 168 6.676 -7.677 2.297 1.00 0.00 H new ATOM 0 HA ALA A 168 8.811 -9.471 2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.091 -10.520 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.138 -8.753 4.575 1.00 0.00 H new ATOM 0 HB3 ALA A 168 5.846 -9.502 3.607 1.00 0.00 H new ATOM 709 N GLY A 169 6.672 -10.376 0.679 1.00 0.00 N ATOM 710 CA GLY A 169 6.354 -11.422 -0.278 1.00 0.00 C ATOM 711 C GLY A 169 7.591 -12.073 -0.866 1.00 0.00 C ATOM 712 O GLY A 169 7.546 -13.224 -1.303 1.00 0.00 O ATOM 0 H GLY A 169 6.216 -9.481 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 169 5.745 -12.183 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 169 5.752 -11.001 -1.083 1.00 0.00 H new ATOM 716 N GLY A 170 8.699 -11.339 -0.877 1.00 0.00 N ATOM 717 CA GLY A 170 9.935 -11.871 -1.417 1.00 0.00 C ATOM 718 C GLY A 170 10.839 -12.441 -0.342 1.00 0.00 C ATOM 719 O GLY A 170 10.628 -13.607 0.054 1.00 0.00 O ATOM 720 OXT GLY A 170 11.759 -11.723 0.104 1.00 0.00 O ATOM 0 H GLY A 170 8.762 -10.385 -0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 170 9.705 -12.650 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 170 10.464 -11.082 -1.951 1.00 0.00 H new TER 724 GLY A 170