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 Single : A 126 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 132 MET CE :methyl 179:sc= 0 (180deg=-0.00171) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 30:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ -170:sc= 0.0459 (180deg=0.0376) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) 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+ -143:sc= 0.703 (180deg=0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -8.887 13.035 -9.933 1.00 0.00 N ATOM 2 CA ASN A 126 -8.520 11.623 -10.217 1.00 0.00 C ATOM 3 C ASN A 126 -7.485 11.111 -9.221 1.00 0.00 C ATOM 4 O ASN A 126 -6.771 11.895 -8.595 1.00 0.00 O ATOM 5 CB ASN A 126 -7.968 11.541 -11.641 1.00 0.00 C ATOM 6 CG ASN A 126 -9.066 11.537 -12.687 1.00 0.00 C ATOM 7 OD1 ASN A 126 -9.975 12.366 -12.652 1.00 0.00 O ATOM 8 ND2 ASN A 126 -8.988 10.599 -13.624 1.00 0.00 N ATOM 0 HA ASN A 126 -9.406 10.996 -10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -7.303 12.386 -11.819 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -7.369 10.637 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.699 10.546 -14.353 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -8.217 9.932 -13.615 1.00 0.00 H new ATOM 17 N ARG A 127 -7.408 9.792 -9.079 1.00 0.00 N ATOM 18 CA ARG A 127 -6.460 9.176 -8.158 1.00 0.00 C ATOM 19 C ARG A 127 -5.662 8.078 -8.855 1.00 0.00 C ATOM 20 O ARG A 127 -6.226 7.240 -9.558 1.00 0.00 O ATOM 21 CB ARG A 127 -7.194 8.598 -6.946 1.00 0.00 C ATOM 22 CG ARG A 127 -6.321 8.478 -5.708 1.00 0.00 C ATOM 23 CD ARG A 127 -7.041 8.974 -4.465 1.00 0.00 C ATOM 24 NE ARG A 127 -6.285 8.699 -3.245 1.00 0.00 N ATOM 25 CZ ARG A 127 -6.495 9.320 -2.087 1.00 0.00 C ATOM 26 NH1 ARG A 127 -7.434 10.253 -1.986 1.00 0.00 N ATOM 27 NH2 ARG A 127 -5.762 9.009 -1.026 1.00 0.00 N ATOM 0 H ARG A 127 -7.991 9.129 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.767 9.947 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -8.052 9.230 -6.716 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -7.583 7.613 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.028 7.437 -5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -5.405 9.051 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.213 10.047 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -8.020 8.498 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 127 -5.553 7.989 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.999 10.498 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.590 10.725 -1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.038 8.294 -1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.922 9.485 -0.138 1.00 0.00 H new ATOM 41 N ARG A 128 -4.348 8.090 -8.653 1.00 0.00 N ATOM 42 CA ARG A 128 -3.473 7.095 -9.261 1.00 0.00 C ATOM 43 C ARG A 128 -3.861 5.688 -8.822 1.00 0.00 C ATOM 44 O ARG A 128 -4.322 4.877 -9.626 1.00 0.00 O ATOM 45 CB ARG A 128 -2.013 7.378 -8.892 1.00 0.00 C ATOM 46 CG ARG A 128 -1.120 7.630 -10.096 1.00 0.00 C ATOM 47 CD ARG A 128 0.268 8.090 -9.676 1.00 0.00 C ATOM 48 NE ARG A 128 0.720 9.243 -10.451 1.00 0.00 N ATOM 49 CZ ARG A 128 1.025 9.193 -11.746 1.00 0.00 C ATOM 50 NH1 ARG A 128 0.927 8.051 -12.414 1.00 0.00 N ATOM 51 NH2 ARG A 128 1.427 10.289 -12.374 1.00 0.00 N ATOM 0 H ARG A 128 -3.867 8.777 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 128 -3.585 7.159 -10.343 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -1.975 8.246 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -1.619 6.533 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -1.038 6.718 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -1.576 8.385 -10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.260 8.346 -8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.975 7.270 -9.800 1.00 0.00 H new ATOM 0 HE ARG A 128 0.807 10.139 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 128 0.617 7.205 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.162 8.019 -13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.502 11.170 -11.865 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.661 10.252 -13.366 1.00 0.00 H new ATOM 65 N VAL A 129 -3.670 5.409 -7.541 1.00 0.00 N ATOM 66 CA VAL A 129 -3.997 4.103 -6.982 1.00 0.00 C ATOM 67 C VAL A 129 -4.728 4.248 -5.650 1.00 0.00 C ATOM 68 O VAL A 129 -4.628 5.280 -4.986 1.00 0.00 O ATOM 69 CB VAL A 129 -2.734 3.247 -6.769 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.107 1.788 -6.560 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.776 3.395 -7.942 1.00 0.00 C ATOM 0 H VAL A 129 -3.289 6.072 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.645 3.604 -7.702 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.228 3.604 -5.872 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.202 1.199 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.747 1.698 -5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.640 1.420 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.892 2.782 -7.769 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.270 3.070 -8.858 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.480 4.439 -8.040 1.00 0.00 H new ATOM 81 N ILE A 130 -5.462 3.209 -5.261 1.00 0.00 N ATOM 82 CA ILE A 130 -6.204 3.231 -4.006 1.00 0.00 C ATOM 83 C ILE A 130 -5.291 2.933 -2.824 1.00 0.00 C ATOM 84 O ILE A 130 -4.795 1.816 -2.669 1.00 0.00 O ATOM 85 CB ILE A 130 -7.368 2.221 -4.020 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.238 2.440 -5.255 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.202 2.351 -2.754 1.00 0.00 C ATOM 88 CD1 ILE A 130 -8.025 1.405 -6.339 1.00 0.00 C ATOM 0 H ILE A 130 -5.558 2.345 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.613 4.235 -3.897 1.00 0.00 H new ATOM 0 HB ILE A 130 -6.955 1.213 -4.057 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.286 2.431 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.032 3.429 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.019 1.630 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.575 2.156 -1.884 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.610 3.360 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.676 1.625 -7.185 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.985 1.429 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.260 0.415 -5.948 1.00 0.00 H new ATOM 100 N ALA A 131 -5.080 3.944 -1.993 1.00 0.00 N ATOM 101 CA ALA A 131 -4.227 3.807 -0.818 1.00 0.00 C ATOM 102 C ALA A 131 -4.347 5.026 0.089 1.00 0.00 C ATOM 103 O ALA A 131 -4.556 6.143 -0.382 1.00 0.00 O ATOM 104 CB ALA A 131 -2.781 3.602 -1.239 1.00 0.00 C ATOM 0 H ALA A 131 -5.489 4.871 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.558 2.933 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.155 3.501 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.703 2.698 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.447 4.459 -1.823 1.00 0.00 H new ATOM 110 N MET A 132 -4.209 4.806 1.392 1.00 0.00 N ATOM 111 CA MET A 132 -4.300 5.890 2.363 1.00 0.00 C ATOM 112 C MET A 132 -3.243 6.956 2.082 1.00 0.00 C ATOM 113 O MET A 132 -2.250 6.693 1.404 1.00 0.00 O ATOM 114 CB MET A 132 -4.135 5.347 3.784 1.00 0.00 C ATOM 115 CG MET A 132 -5.446 5.226 4.544 1.00 0.00 C ATOM 116 SD MET A 132 -5.285 4.258 6.056 1.00 0.00 S ATOM 117 CE MET A 132 -4.384 5.402 7.097 1.00 0.00 C ATOM 0 H MET A 132 -4.034 3.888 1.800 1.00 0.00 H new ATOM 0 HA MET A 132 -5.285 6.347 2.273 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.660 4.367 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.462 6.001 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.811 6.223 4.792 1.00 0.00 H new ATOM 0 HG3 MET A 132 -6.194 4.764 3.899 1.00 0.00 H new ATOM 0 HE1 MET A 132 -4.223 4.953 8.077 1.00 0.00 H new ATOM 0 HE2 MET A 132 -3.421 5.630 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 132 -4.959 6.321 7.210 1.00 0.00 H new ATOM 127 N PRO A 133 -3.445 8.180 2.600 1.00 0.00 N ATOM 128 CA PRO A 133 -2.503 9.286 2.399 1.00 0.00 C ATOM 129 C PRO A 133 -1.140 9.008 3.025 1.00 0.00 C ATOM 130 O PRO A 133 -0.126 9.555 2.592 1.00 0.00 O ATOM 131 CB PRO A 133 -3.180 10.471 3.098 1.00 0.00 C ATOM 132 CG PRO A 133 -4.138 9.857 4.059 1.00 0.00 C ATOM 133 CD PRO A 133 -4.601 8.581 3.420 1.00 0.00 C ATOM 0 HA PRO A 133 -2.302 9.458 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.450 11.095 3.613 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.695 11.110 2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -3.658 9.662 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -4.978 10.524 4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.849 7.824 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.493 8.735 2.812 1.00 0.00 H new ATOM 141 N SER A 134 -1.123 8.158 4.046 1.00 0.00 N ATOM 142 CA SER A 134 0.117 7.812 4.729 1.00 0.00 C ATOM 143 C SER A 134 0.769 6.585 4.098 1.00 0.00 C ATOM 144 O SER A 134 1.995 6.470 4.063 1.00 0.00 O ATOM 145 CB SER A 134 -0.149 7.554 6.213 1.00 0.00 C ATOM 146 OG SER A 134 1.018 7.774 6.987 1.00 0.00 O ATOM 0 H SER A 134 -1.953 7.697 4.418 1.00 0.00 H new ATOM 0 HA SER A 134 0.801 8.654 4.628 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.949 8.208 6.561 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.493 6.529 6.351 1.00 0.00 H new ATOM 0 HG SER A 134 0.821 7.604 7.932 1.00 0.00 H new ATOM 152 N VAL A 135 -0.056 5.667 3.603 1.00 0.00 N ATOM 153 CA VAL A 135 0.448 4.449 2.980 1.00 0.00 C ATOM 154 C VAL A 135 1.196 4.754 1.695 1.00 0.00 C ATOM 155 O VAL A 135 2.272 4.215 1.453 1.00 0.00 O ATOM 156 CB VAL A 135 -0.682 3.457 2.669 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.112 2.168 2.099 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.496 3.185 3.916 1.00 0.00 C ATOM 0 H VAL A 135 -1.073 5.743 3.621 1.00 0.00 H new ATOM 0 HA VAL A 135 1.130 3.997 3.700 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.341 3.896 1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.925 1.475 1.884 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.432 2.386 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.566 1.718 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.294 2.480 3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.851 2.761 4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.929 4.117 4.278 1.00 0.00 H new ATOM 168 N ARG A 136 0.625 5.621 0.875 1.00 0.00 N ATOM 169 CA ARG A 136 1.256 5.988 -0.384 1.00 0.00 C ATOM 170 C ARG A 136 2.672 6.488 -0.126 1.00 0.00 C ATOM 171 O ARG A 136 3.561 6.323 -0.957 1.00 0.00 O ATOM 172 CB ARG A 136 0.439 7.068 -1.097 1.00 0.00 C ATOM 173 CG ARG A 136 -0.852 6.550 -1.709 1.00 0.00 C ATOM 174 CD ARG A 136 -1.524 7.608 -2.568 1.00 0.00 C ATOM 175 NE ARG A 136 -0.652 8.075 -3.643 1.00 0.00 N ATOM 176 CZ ARG A 136 -0.358 7.358 -4.725 1.00 0.00 C ATOM 177 NH1 ARG A 136 -0.866 6.141 -4.880 1.00 0.00 N ATOM 178 NH2 ARG A 136 0.444 7.858 -5.655 1.00 0.00 N ATOM 0 H ARG A 136 -0.267 6.081 1.055 1.00 0.00 H new ATOM 0 HA ARG A 136 1.299 5.107 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.202 7.861 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.050 7.515 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -0.641 5.668 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.532 6.237 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.440 7.200 -2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.813 8.453 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 136 -0.244 9.006 -3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.484 5.752 -4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -0.638 5.595 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.836 8.793 -5.541 1.00 0.00 H new ATOM 0 HH22 ARG A 136 0.669 7.308 -6.484 1.00 0.00 H new ATOM 192 N LYS A 137 2.871 7.080 1.048 1.00 0.00 N ATOM 193 CA LYS A 137 4.174 7.586 1.444 1.00 0.00 C ATOM 194 C LYS A 137 5.067 6.440 1.892 1.00 0.00 C ATOM 195 O LYS A 137 6.251 6.389 1.561 1.00 0.00 O ATOM 196 CB LYS A 137 4.029 8.611 2.570 1.00 0.00 C ATOM 197 CG LYS A 137 5.350 9.210 3.021 1.00 0.00 C ATOM 198 CD LYS A 137 5.937 10.129 1.961 1.00 0.00 C ATOM 199 CE LYS A 137 6.630 11.328 2.585 1.00 0.00 C ATOM 200 NZ LYS A 137 7.400 12.111 1.579 1.00 0.00 N ATOM 0 H LYS A 137 2.138 7.220 1.744 1.00 0.00 H new ATOM 0 HA LYS A 137 4.632 8.076 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.371 9.413 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.545 8.135 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.201 9.768 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 137 6.057 8.410 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 137 6.649 9.574 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 137 5.145 10.471 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.887 11.972 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 137 7.302 10.989 3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.858 12.920 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 8.126 11.504 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 6.755 12.457 0.840 1.00 0.00 H new ATOM 214 N TYR A 138 4.483 5.524 2.659 1.00 0.00 N ATOM 215 CA TYR A 138 5.218 4.377 3.168 1.00 0.00 C ATOM 216 C TYR A 138 5.683 3.479 2.030 1.00 0.00 C ATOM 217 O TYR A 138 6.851 3.099 1.964 1.00 0.00 O ATOM 218 CB TYR A 138 4.333 3.582 4.118 1.00 0.00 C ATOM 219 CG TYR A 138 4.990 2.319 4.620 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.158 2.368 5.369 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.447 1.076 4.331 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.766 1.212 5.816 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.047 -0.082 4.775 1.00 0.00 C ATOM 224 CZ TYR A 138 6.206 -0.011 5.517 1.00 0.00 C ATOM 225 OH TYR A 138 6.807 -1.167 5.961 1.00 0.00 O ATOM 0 H TYR A 138 3.503 5.556 2.940 1.00 0.00 H new ATOM 0 HA TYR A 138 6.097 4.741 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.067 4.209 4.969 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.404 3.324 3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.598 3.326 5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.539 1.015 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.675 1.266 6.397 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.611 -1.042 4.542 1.00 0.00 H new ATOM 0 HH TYR A 138 7.277 -0.989 6.803 1.00 0.00 H new ATOM 235 N ALA A 139 4.770 3.167 1.118 1.00 0.00 N ATOM 236 CA ALA A 139 5.101 2.346 -0.032 1.00 0.00 C ATOM 237 C ALA A 139 6.074 3.104 -0.912 1.00 0.00 C ATOM 238 O ALA A 139 7.085 2.570 -1.350 1.00 0.00 O ATOM 239 CB ALA A 139 3.848 1.979 -0.813 1.00 0.00 C ATOM 0 H ALA A 139 3.797 3.471 1.155 1.00 0.00 H new ATOM 0 HA ALA A 139 5.562 1.418 0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.121 1.364 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.168 1.422 -0.169 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.357 2.888 -1.160 1.00 0.00 H new ATOM 245 N ARG A 140 5.766 4.373 -1.141 1.00 0.00 N ATOM 246 CA ARG A 140 6.622 5.226 -1.949 1.00 0.00 C ATOM 247 C ARG A 140 8.046 5.220 -1.398 1.00 0.00 C ATOM 248 O ARG A 140 9.015 5.336 -2.148 1.00 0.00 O ATOM 249 CB ARG A 140 6.063 6.651 -1.960 1.00 0.00 C ATOM 250 CG ARG A 140 6.920 7.640 -2.734 1.00 0.00 C ATOM 251 CD ARG A 140 6.157 8.243 -3.904 1.00 0.00 C ATOM 252 NE ARG A 140 6.833 8.011 -5.178 1.00 0.00 N ATOM 253 CZ ARG A 140 6.290 8.274 -6.365 1.00 0.00 C ATOM 254 NH1 ARG A 140 5.065 8.779 -6.443 1.00 0.00 N ATOM 255 NH2 ARG A 140 6.973 8.031 -7.475 1.00 0.00 N ATOM 0 H ARG A 140 4.931 4.833 -0.779 1.00 0.00 H new ATOM 0 HA ARG A 140 6.646 4.844 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 140 5.062 6.636 -2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.961 6.999 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.252 8.435 -2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.815 7.138 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.155 7.815 -3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 140 6.040 9.315 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 140 7.777 7.625 -5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 140 4.536 8.967 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 140 4.653 8.979 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.915 7.643 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 140 6.557 8.232 -8.384 1.00 0.00 H new ATOM 269 N GLU A 141 8.158 5.073 -0.081 1.00 0.00 N ATOM 270 CA GLU A 141 9.452 5.039 0.585 1.00 0.00 C ATOM 271 C GLU A 141 10.050 3.638 0.560 1.00 0.00 C ATOM 272 O GLU A 141 11.260 3.470 0.408 1.00 0.00 O ATOM 273 CB GLU A 141 9.305 5.509 2.031 1.00 0.00 C ATOM 274 CG GLU A 141 9.137 7.012 2.174 1.00 0.00 C ATOM 275 CD GLU A 141 10.462 7.742 2.260 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.446 7.259 1.660 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.517 8.796 2.927 1.00 0.00 O ATOM 0 H GLU A 141 7.361 4.975 0.548 1.00 0.00 H new ATOM 0 HA GLU A 141 10.125 5.707 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.444 5.013 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.183 5.196 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.571 7.393 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.551 7.225 3.068 1.00 0.00 H new ATOM 284 N LYS A 142 9.196 2.636 0.735 1.00 0.00 N ATOM 285 CA LYS A 142 9.630 1.248 0.761 1.00 0.00 C ATOM 286 C LYS A 142 9.777 0.671 -0.648 1.00 0.00 C ATOM 287 O LYS A 142 9.627 -0.535 -0.843 1.00 0.00 O ATOM 288 CB LYS A 142 8.613 0.415 1.547 1.00 0.00 C ATOM 289 CG LYS A 142 8.621 0.618 3.064 1.00 0.00 C ATOM 290 CD LYS A 142 9.551 1.733 3.526 1.00 0.00 C ATOM 291 CE LYS A 142 10.972 1.232 3.713 1.00 0.00 C ATOM 292 NZ LYS A 142 11.978 2.291 3.425 1.00 0.00 N ATOM 0 H LYS A 142 8.192 2.763 0.862 1.00 0.00 H new ATOM 0 HA LYS A 142 10.608 1.211 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.615 0.646 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.796 -0.639 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.607 0.840 3.398 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.918 -0.314 3.545 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.543 2.541 2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.184 2.148 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.100 0.878 4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 142 11.145 0.379 3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.928 1.869 3.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.767 2.729 2.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.942 3.016 4.170 1.00 0.00 H new ATOM 306 N GLY A 143 10.055 1.525 -1.632 1.00 0.00 N ATOM 307 CA GLY A 143 10.193 1.047 -3.002 1.00 0.00 C ATOM 308 C GLY A 143 8.977 0.253 -3.451 1.00 0.00 C ATOM 309 O GLY A 143 9.054 -0.561 -4.371 1.00 0.00 O ATOM 0 H GLY A 143 10.186 2.529 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.339 1.896 -3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.083 0.423 -3.081 1.00 0.00 H new ATOM 313 N VAL A 144 7.857 0.499 -2.782 1.00 0.00 N ATOM 314 CA VAL A 144 6.598 -0.173 -3.071 1.00 0.00 C ATOM 315 C VAL A 144 5.613 0.777 -3.735 1.00 0.00 C ATOM 316 O VAL A 144 5.463 1.927 -3.320 1.00 0.00 O ATOM 317 CB VAL A 144 5.952 -0.694 -1.775 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.660 -1.436 -2.075 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.920 -1.574 -1.002 1.00 0.00 C ATOM 0 H VAL A 144 7.797 1.174 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 144 6.823 -1.003 -3.741 1.00 0.00 H new ATOM 0 HB VAL A 144 5.708 0.165 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.222 -1.795 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.960 -0.763 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.870 -2.284 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.440 -1.930 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.207 -2.427 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.808 -0.998 -0.743 1.00 0.00 H new ATOM 329 N ASP A 145 4.917 0.277 -4.742 1.00 0.00 N ATOM 330 CA ASP A 145 3.916 1.057 -5.439 1.00 0.00 C ATOM 331 C ASP A 145 2.557 0.411 -5.225 1.00 0.00 C ATOM 332 O ASP A 145 2.393 -0.784 -5.453 1.00 0.00 O ATOM 333 CB ASP A 145 4.240 1.152 -6.931 1.00 0.00 C ATOM 334 CG ASP A 145 3.438 2.232 -7.629 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.211 2.056 -7.782 1.00 0.00 O ATOM 336 OD2 ASP A 145 4.036 3.256 -8.023 1.00 0.00 O ATOM 0 H ASP A 145 5.030 -0.673 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 145 3.906 2.072 -5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.304 1.355 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.040 0.191 -7.405 1.00 0.00 H new ATOM 341 N ILE A 146 1.594 1.193 -4.764 1.00 0.00 N ATOM 342 CA ILE A 146 0.254 0.678 -4.502 1.00 0.00 C ATOM 343 C ILE A 146 -0.258 -0.180 -5.663 1.00 0.00 C ATOM 344 O ILE A 146 -1.088 -1.068 -5.469 1.00 0.00 O ATOM 345 CB ILE A 146 -0.747 1.820 -4.238 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.213 2.770 -3.163 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.095 1.259 -3.819 1.00 0.00 C ATOM 348 CD1 ILE A 146 0.048 2.093 -1.834 1.00 0.00 C ATOM 0 H ILE A 146 1.712 2.186 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 146 0.330 0.057 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.874 2.382 -5.163 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.712 3.224 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.929 3.578 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.790 2.079 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.486 0.622 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -1.978 0.673 -2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.425 2.826 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -0.879 1.662 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.787 1.303 -1.967 1.00 0.00 H new ATOM 360 N ARG A 147 0.250 0.082 -6.866 1.00 0.00 N ATOM 361 CA ARG A 147 -0.160 -0.674 -8.046 1.00 0.00 C ATOM 362 C ARG A 147 0.222 -2.141 -7.903 1.00 0.00 C ATOM 363 O ARG A 147 -0.512 -3.036 -8.322 1.00 0.00 O ATOM 364 CB ARG A 147 0.484 -0.088 -9.304 1.00 0.00 C ATOM 365 CG ARG A 147 -0.320 1.040 -9.931 1.00 0.00 C ATOM 366 CD ARG A 147 0.074 1.262 -11.382 1.00 0.00 C ATOM 367 NE ARG A 147 -0.673 2.359 -11.991 1.00 0.00 N ATOM 368 CZ ARG A 147 -0.379 3.645 -11.814 1.00 0.00 C ATOM 369 NH1 ARG A 147 0.644 4.000 -11.046 1.00 0.00 N ATOM 370 NH2 ARG A 147 -1.110 4.579 -12.407 1.00 0.00 N ATOM 0 H ARG A 147 0.943 0.808 -7.048 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.244 -0.603 -8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.479 0.281 -9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.614 -0.882 -10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.383 0.807 -9.873 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.163 1.958 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 147 1.141 1.475 -11.439 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -0.099 0.347 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 147 -1.467 2.126 -12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 147 1.210 3.286 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 147 0.864 4.987 -10.914 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -1.897 4.312 -12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -0.885 5.565 -12.272 1.00 0.00 H new ATOM 384 N LEU A 148 1.378 -2.370 -7.301 1.00 0.00 N ATOM 385 CA LEU A 148 1.888 -3.713 -7.078 1.00 0.00 C ATOM 386 C LEU A 148 1.353 -4.290 -5.770 1.00 0.00 C ATOM 387 O LEU A 148 1.605 -5.450 -5.447 1.00 0.00 O ATOM 388 CB LEU A 148 3.420 -3.689 -7.042 1.00 0.00 C ATOM 389 CG LEU A 148 4.068 -2.510 -7.771 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.575 -2.532 -7.601 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.697 -2.525 -9.245 1.00 0.00 C ATOM 0 H LEU A 148 1.989 -1.631 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 148 1.551 -4.347 -7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.743 -3.675 -6.001 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.793 -4.615 -7.479 1.00 0.00 H new ATOM 0 HG LEU A 148 3.690 -1.588 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 148 6.013 -1.684 -8.128 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.823 -2.468 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.974 -3.460 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.167 -1.679 -9.747 1.00 0.00 H new ATOM 0 HD22 LEU A 148 4.043 -3.454 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.614 -2.452 -9.348 1.00 0.00 H new ATOM 403 N VAL A 149 0.626 -3.473 -5.010 1.00 0.00 N ATOM 404 CA VAL A 149 0.077 -3.910 -3.733 1.00 0.00 C ATOM 405 C VAL A 149 -1.446 -3.922 -3.755 1.00 0.00 C ATOM 406 O VAL A 149 -2.083 -2.887 -3.950 1.00 0.00 O ATOM 407 CB VAL A 149 0.560 -3.004 -2.582 1.00 0.00 C ATOM 408 CG1 VAL A 149 0.386 -3.701 -1.241 1.00 0.00 C ATOM 409 CG2 VAL A 149 2.013 -2.591 -2.790 1.00 0.00 C ATOM 0 H VAL A 149 0.405 -2.508 -5.257 1.00 0.00 H new ATOM 0 HA VAL A 149 0.435 -4.926 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.052 -2.102 -2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.733 -3.045 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -0.667 -3.935 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.968 -4.623 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 149 2.331 -1.953 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.643 -3.480 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 149 2.105 -2.045 -3.729 1.00 0.00 H new ATOM 419 N GLN A 150 -2.025 -5.100 -3.549 1.00 0.00 N ATOM 420 CA GLN A 150 -3.475 -5.250 -3.539 1.00 0.00 C ATOM 421 C GLN A 150 -4.057 -4.732 -2.228 1.00 0.00 C ATOM 422 O GLN A 150 -3.768 -5.266 -1.156 1.00 0.00 O ATOM 423 CB GLN A 150 -3.858 -6.717 -3.743 1.00 0.00 C ATOM 424 CG GLN A 150 -4.927 -6.923 -4.803 1.00 0.00 C ATOM 425 CD GLN A 150 -5.251 -8.387 -5.028 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.408 -9.160 -5.484 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.479 -8.777 -4.706 1.00 0.00 N ATOM 0 H GLN A 150 -1.511 -5.966 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 150 -3.888 -4.662 -4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -2.968 -7.281 -4.022 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.212 -7.127 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -5.834 -6.396 -4.507 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.593 -6.480 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -7.146 -8.103 -4.331 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.755 -9.751 -4.834 1.00 0.00 H new ATOM 436 N GLY A 151 -4.871 -3.685 -2.316 1.00 0.00 N ATOM 437 CA GLY A 151 -5.468 -3.112 -1.128 1.00 0.00 C ATOM 438 C GLY A 151 -6.702 -3.859 -0.665 1.00 0.00 C ATOM 439 O GLY A 151 -7.594 -4.152 -1.459 1.00 0.00 O ATOM 0 H GLY A 151 -5.127 -3.225 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.731 -3.106 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.732 -2.073 -1.326 1.00 0.00 H new ATOM 443 N THR A 152 -6.750 -4.166 0.629 1.00 0.00 N ATOM 444 CA THR A 152 -7.883 -4.879 1.208 1.00 0.00 C ATOM 445 C THR A 152 -8.574 -4.025 2.270 1.00 0.00 C ATOM 446 O THR A 152 -9.198 -4.552 3.191 1.00 0.00 O ATOM 447 CB THR A 152 -7.419 -6.202 1.819 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.037 -6.156 2.125 1.00 0.00 O ATOM 449 CG2 THR A 152 -7.649 -7.392 0.913 1.00 0.00 C ATOM 0 H THR A 152 -6.015 -3.931 1.297 1.00 0.00 H new ATOM 0 HA THR A 152 -8.599 -5.087 0.413 1.00 0.00 H new ATOM 0 HB THR A 152 -8.019 -6.330 2.720 1.00 0.00 H new ATOM 0 HG1 THR A 152 -5.760 -7.011 2.516 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.298 -8.298 1.406 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.713 -7.485 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.102 -7.251 -0.019 1.00 0.00 H new ATOM 457 N GLY A 153 -8.449 -2.707 2.144 1.00 0.00 N ATOM 458 CA GLY A 153 -9.059 -1.810 3.109 1.00 0.00 C ATOM 459 C GLY A 153 -10.366 -1.214 2.623 1.00 0.00 C ATOM 460 O GLY A 153 -10.398 -0.502 1.620 1.00 0.00 O ATOM 0 H GLY A 153 -7.937 -2.245 1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.237 -2.352 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.362 -1.004 3.338 1.00 0.00 H new ATOM 464 N LYS A 154 -11.446 -1.501 3.345 1.00 0.00 N ATOM 465 CA LYS A 154 -12.769 -0.989 2.999 1.00 0.00 C ATOM 466 C LYS A 154 -13.137 -1.318 1.551 1.00 0.00 C ATOM 467 O LYS A 154 -13.762 -2.344 1.280 1.00 0.00 O ATOM 468 CB LYS A 154 -12.831 0.523 3.232 1.00 0.00 C ATOM 469 CG LYS A 154 -13.337 0.906 4.614 1.00 0.00 C ATOM 470 CD LYS A 154 -14.815 0.590 4.772 1.00 0.00 C ATOM 471 CE LYS A 154 -15.679 1.548 3.968 1.00 0.00 C ATOM 472 NZ LYS A 154 -16.200 2.663 4.805 1.00 0.00 N ATOM 0 H LYS A 154 -11.430 -2.089 4.178 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.496 -1.479 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -11.836 0.945 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -13.479 0.972 2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -12.766 0.371 5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -13.171 1.970 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.006 -0.433 4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -15.090 0.647 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -15.096 1.956 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -16.515 1.002 3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -16.784 3.293 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -16.777 2.276 5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.403 3.200 5.203 1.00 0.00 H new ATOM 486 N ASN A 155 -12.752 -0.445 0.622 1.00 0.00 N ATOM 487 CA ASN A 155 -13.049 -0.652 -0.791 1.00 0.00 C ATOM 488 C ASN A 155 -11.845 -1.234 -1.524 1.00 0.00 C ATOM 489 O ASN A 155 -11.677 -1.022 -2.725 1.00 0.00 O ATOM 490 CB ASN A 155 -13.469 0.666 -1.443 1.00 0.00 C ATOM 491 CG ASN A 155 -14.903 1.039 -1.121 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.821 0.744 -1.886 1.00 0.00 O ATOM 493 ND2 ASN A 155 -15.103 1.694 0.017 1.00 0.00 N ATOM 0 H ASN A 155 -12.235 0.411 0.823 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.871 -1.364 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.805 1.462 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.351 0.587 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -16.047 1.973 0.286 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -14.313 1.918 0.622 1.00 0.00 H new ATOM 500 N GLY A 156 -11.014 -1.972 -0.797 1.00 0.00 N ATOM 501 CA GLY A 156 -9.840 -2.575 -1.397 1.00 0.00 C ATOM 502 C GLY A 156 -8.645 -1.641 -1.414 1.00 0.00 C ATOM 503 O GLY A 156 -7.760 -1.771 -2.260 1.00 0.00 O ATOM 0 H GLY A 156 -11.133 -2.163 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.581 -3.480 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.074 -2.878 -2.418 1.00 0.00 H new ATOM 507 N ARG A 157 -8.616 -0.699 -0.477 1.00 0.00 N ATOM 508 CA ARG A 157 -7.519 0.258 -0.389 1.00 0.00 C ATOM 509 C ARG A 157 -6.302 -0.375 0.279 1.00 0.00 C ATOM 510 O ARG A 157 -6.437 -1.181 1.199 1.00 0.00 O ATOM 511 CB ARG A 157 -7.961 1.501 0.390 1.00 0.00 C ATOM 512 CG ARG A 157 -6.852 2.516 0.607 1.00 0.00 C ATOM 513 CD ARG A 157 -7.351 3.734 1.368 1.00 0.00 C ATOM 514 NE ARG A 157 -7.742 4.817 0.469 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.472 5.866 0.845 1.00 0.00 C ATOM 516 NH1 ARG A 157 -8.889 5.978 2.099 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.784 6.806 -0.037 1.00 0.00 N ATOM 0 H ARG A 157 -9.339 -0.578 0.232 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.241 0.555 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.780 1.981 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.352 1.191 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.035 2.051 1.158 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.449 2.828 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.202 3.451 1.987 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.570 4.086 2.042 1.00 0.00 H new ATOM 0 HE ARG A 157 -7.438 4.767 -0.503 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.651 5.259 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.448 6.784 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.465 6.725 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.343 7.609 0.250 1.00 0.00 H new ATOM 531 N VAL A 158 -5.115 -0.008 -0.194 1.00 0.00 N ATOM 532 CA VAL A 158 -3.876 -0.546 0.356 1.00 0.00 C ATOM 533 C VAL A 158 -3.519 0.124 1.677 1.00 0.00 C ATOM 534 O VAL A 158 -3.499 1.350 1.786 1.00 0.00 O ATOM 535 CB VAL A 158 -2.703 -0.394 -0.641 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.353 -0.540 0.053 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.828 -1.415 -1.760 1.00 0.00 C ATOM 0 H VAL A 158 -4.985 0.658 -0.955 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.043 -1.608 0.537 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.755 0.610 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.553 -0.427 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.253 0.228 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.286 -1.525 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.996 -1.297 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.810 -2.420 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.768 -1.261 -2.290 1.00 0.00 H new ATOM 547 N LEU A 159 -3.234 -0.702 2.674 1.00 0.00 N ATOM 548 CA LEU A 159 -2.868 -0.218 3.996 1.00 0.00 C ATOM 549 C LEU A 159 -1.373 -0.390 4.228 1.00 0.00 C ATOM 550 O LEU A 159 -0.703 -1.103 3.482 1.00 0.00 O ATOM 551 CB LEU A 159 -3.647 -0.987 5.064 1.00 0.00 C ATOM 552 CG LEU A 159 -5.160 -0.740 5.076 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.772 -1.238 6.375 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.471 0.736 4.870 1.00 0.00 C ATOM 0 H LEU A 159 -3.250 -1.718 2.590 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.115 0.842 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.471 -2.053 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.245 -0.725 6.043 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.601 -1.298 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.846 -1.054 6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.588 -2.307 6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.321 -0.710 7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.551 0.886 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.015 1.319 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.071 1.062 3.910 1.00 0.00 H new ATOM 566 N LYS A 160 -0.845 0.251 5.266 1.00 0.00 N ATOM 567 CA LYS A 160 0.574 0.128 5.570 1.00 0.00 C ATOM 568 C LYS A 160 0.927 -1.336 5.784 1.00 0.00 C ATOM 569 O LYS A 160 2.016 -1.785 5.427 1.00 0.00 O ATOM 570 CB LYS A 160 0.945 0.948 6.806 1.00 0.00 C ATOM 571 CG LYS A 160 2.446 1.119 6.987 1.00 0.00 C ATOM 572 CD LYS A 160 2.845 1.029 8.452 1.00 0.00 C ATOM 573 CE LYS A 160 4.212 1.647 8.695 1.00 0.00 C ATOM 574 NZ LYS A 160 5.282 0.615 8.772 1.00 0.00 N ATOM 0 H LYS A 160 -1.370 0.852 5.901 1.00 0.00 H new ATOM 0 HA LYS A 160 1.143 0.517 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.480 1.931 6.734 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.532 0.465 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.972 0.352 6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 160 2.755 2.083 6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 160 2.101 1.537 9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.856 -0.015 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.441 2.348 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.192 2.219 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 5.980 0.892 9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 4.863 -0.301 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 5.751 0.532 7.848 1.00 0.00 H new ATOM 588 N GLU A 161 -0.022 -2.084 6.343 1.00 0.00 N ATOM 589 CA GLU A 161 0.173 -3.507 6.573 1.00 0.00 C ATOM 590 C GLU A 161 0.326 -4.213 5.234 1.00 0.00 C ATOM 591 O GLU A 161 1.107 -5.154 5.098 1.00 0.00 O ATOM 592 CB GLU A 161 -1.008 -4.093 7.350 1.00 0.00 C ATOM 593 CG GLU A 161 -1.347 -3.323 8.616 1.00 0.00 C ATOM 594 CD GLU A 161 -0.174 -3.228 9.571 1.00 0.00 C ATOM 595 OE1 GLU A 161 0.872 -2.672 9.175 1.00 0.00 O ATOM 596 OE2 GLU A 161 -0.300 -3.710 10.716 1.00 0.00 O ATOM 0 H GLU A 161 -0.929 -1.727 6.643 1.00 0.00 H new ATOM 0 HA GLU A 161 1.075 -3.654 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.884 -4.113 6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.782 -5.126 7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.676 -2.319 8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.183 -3.809 9.120 1.00 0.00 H new ATOM 603 N ASP A 162 -0.416 -3.729 4.240 1.00 0.00 N ATOM 604 CA ASP A 162 -0.353 -4.291 2.898 1.00 0.00 C ATOM 605 C ASP A 162 1.025 -4.046 2.300 1.00 0.00 C ATOM 606 O ASP A 162 1.658 -4.956 1.763 1.00 0.00 O ATOM 607 CB ASP A 162 -1.427 -3.662 2.008 1.00 0.00 C ATOM 608 CG ASP A 162 -2.755 -4.385 2.099 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.771 -5.625 1.943 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.781 -3.710 2.330 1.00 0.00 O ATOM 0 H ASP A 162 -1.066 -2.950 4.341 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.533 -5.364 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.565 -2.619 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -1.085 -3.667 0.973 1.00 0.00 H new ATOM 615 N ILE A 163 1.487 -2.806 2.418 1.00 0.00 N ATOM 616 CA ILE A 163 2.799 -2.413 1.912 1.00 0.00 C ATOM 617 C ILE A 163 3.885 -3.339 2.447 1.00 0.00 C ATOM 618 O ILE A 163 4.679 -3.890 1.686 1.00 0.00 O ATOM 619 CB ILE A 163 3.146 -0.967 2.324 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.028 -0.009 1.922 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.471 -0.533 1.705 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.767 0.006 0.439 1.00 0.00 C ATOM 0 H ILE A 163 0.968 -2.049 2.863 1.00 0.00 H new ATOM 0 HA ILE A 163 2.755 -2.481 0.825 1.00 0.00 H new ATOM 0 HB ILE A 163 3.249 -0.938 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.113 -0.289 2.443 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.285 0.998 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.697 0.489 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.266 -1.196 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.398 -0.581 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 163 0.962 0.706 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.671 0.315 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.480 -0.993 0.110 1.00 0.00 H new ATOM 634 N ASP A 164 3.910 -3.502 3.767 1.00 0.00 N ATOM 635 CA ASP A 164 4.896 -4.358 4.412 1.00 0.00 C ATOM 636 C ASP A 164 4.816 -5.783 3.873 1.00 0.00 C ATOM 637 O ASP A 164 5.835 -6.393 3.549 1.00 0.00 O ATOM 638 CB ASP A 164 4.683 -4.360 5.928 1.00 0.00 C ATOM 639 CG ASP A 164 5.990 -4.303 6.694 1.00 0.00 C ATOM 640 OD1 ASP A 164 6.994 -4.857 6.199 1.00 0.00 O ATOM 641 OD2 ASP A 164 6.010 -3.703 7.790 1.00 0.00 O ATOM 0 H ASP A 164 3.258 -3.052 4.409 1.00 0.00 H new ATOM 0 HA ASP A 164 5.887 -3.961 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.064 -3.507 6.207 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.136 -5.258 6.214 1.00 0.00 H new ATOM 646 N ALA A 165 3.597 -6.306 3.776 1.00 0.00 N ATOM 647 CA ALA A 165 3.383 -7.658 3.273 1.00 0.00 C ATOM 648 C ALA A 165 3.924 -7.806 1.855 1.00 0.00 C ATOM 649 O ALA A 165 4.434 -8.863 1.481 1.00 0.00 O ATOM 650 CB ALA A 165 1.903 -8.008 3.316 1.00 0.00 C ATOM 0 H ALA A 165 2.743 -5.814 4.039 1.00 0.00 H new ATOM 0 HA ALA A 165 3.927 -8.350 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 165 1.757 -9.020 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.545 -7.950 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.345 -7.305 2.697 1.00 0.00 H new ATOM 656 N TRP A 166 3.814 -6.738 1.073 1.00 0.00 N ATOM 657 CA TRP A 166 4.295 -6.737 -0.299 1.00 0.00 C ATOM 658 C TRP A 166 5.798 -6.977 -0.334 1.00 0.00 C ATOM 659 O TRP A 166 6.277 -7.918 -0.968 1.00 0.00 O ATOM 660 CB TRP A 166 3.962 -5.399 -0.950 1.00 0.00 C ATOM 661 CG TRP A 166 4.223 -5.364 -2.421 1.00 0.00 C ATOM 662 CD1 TRP A 166 3.436 -5.870 -3.413 1.00 0.00 C ATOM 663 CD2 TRP A 166 5.355 -4.783 -3.063 1.00 0.00 C ATOM 664 NE1 TRP A 166 4.020 -5.636 -4.636 1.00 0.00 N ATOM 665 CE2 TRP A 166 5.198 -4.972 -4.445 1.00 0.00 C ATOM 666 CE3 TRP A 166 6.484 -4.121 -2.595 1.00 0.00 C ATOM 667 CZ2 TRP A 166 6.135 -4.521 -5.368 1.00 0.00 C ATOM 668 CZ3 TRP A 166 7.417 -3.670 -3.510 1.00 0.00 C ATOM 669 CH2 TRP A 166 7.237 -3.873 -4.885 1.00 0.00 C ATOM 0 H TRP A 166 3.393 -5.858 1.370 1.00 0.00 H new ATOM 0 HA TRP A 166 3.806 -7.540 -0.850 1.00 0.00 H new ATOM 0 HB2 TRP A 166 2.912 -5.170 -0.771 1.00 0.00 H new ATOM 0 HB3 TRP A 166 4.546 -4.615 -0.468 1.00 0.00 H new ATOM 0 HD1 TRP A 166 2.495 -6.378 -3.261 1.00 0.00 H new ATOM 0 HE1 TRP A 166 3.636 -5.913 -5.539 1.00 0.00 H new ATOM 0 HE3 TRP A 166 6.630 -3.962 -1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.997 -4.677 -6.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 8.298 -3.153 -3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 166 7.983 -3.510 -5.576 1.00 0.00 H new ATOM 680 N LEU A 167 6.533 -6.115 0.358 1.00 0.00 N ATOM 681 CA LEU A 167 7.988 -6.221 0.423 1.00 0.00 C ATOM 682 C LEU A 167 8.412 -7.589 0.946 1.00 0.00 C ATOM 683 O LEU A 167 9.434 -8.137 0.529 1.00 0.00 O ATOM 684 CB LEU A 167 8.562 -5.122 1.320 1.00 0.00 C ATOM 685 CG LEU A 167 8.312 -3.694 0.829 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.773 -2.823 1.954 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.585 -3.091 0.248 1.00 0.00 C ATOM 0 H LEU A 167 6.145 -5.332 0.884 1.00 0.00 H new ATOM 0 HA LEU A 167 8.380 -6.099 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.136 -5.228 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.637 -5.275 1.415 1.00 0.00 H new ATOM 0 HG LEU A 167 7.562 -3.735 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.603 -1.813 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 167 6.833 -3.239 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.496 -2.793 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.383 -2.076 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.360 -3.068 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 167 9.924 -3.697 -0.592 1.00 0.00 H new ATOM 699 N ALA A 168 7.622 -8.135 1.863 1.00 0.00 N ATOM 700 CA ALA A 168 7.914 -9.440 2.447 1.00 0.00 C ATOM 701 C ALA A 168 7.480 -10.570 1.519 1.00 0.00 C ATOM 702 O ALA A 168 8.016 -11.677 1.581 1.00 0.00 O ATOM 703 CB ALA A 168 7.234 -9.574 3.801 1.00 0.00 C ATOM 0 H ALA A 168 6.774 -7.695 2.219 1.00 0.00 H new ATOM 0 HA ALA A 168 8.993 -9.516 2.584 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.460 -10.552 4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.599 -8.795 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.156 -9.472 3.678 1.00 0.00 H new ATOM 709 N GLY A 169 6.505 -10.286 0.660 1.00 0.00 N ATOM 710 CA GLY A 169 6.018 -11.291 -0.266 1.00 0.00 C ATOM 711 C GLY A 169 6.638 -11.160 -1.643 1.00 0.00 C ATOM 712 O GLY A 169 5.951 -11.301 -2.655 1.00 0.00 O ATOM 0 H GLY A 169 6.045 -9.379 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 169 6.233 -12.282 0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 169 4.934 -11.209 -0.350 1.00 0.00 H new ATOM 716 N GLY A 170 7.938 -10.887 -1.682 1.00 0.00 N ATOM 717 CA GLY A 170 8.627 -10.740 -2.951 1.00 0.00 C ATOM 718 C GLY A 170 10.056 -11.247 -2.897 1.00 0.00 C ATOM 719 O GLY A 170 10.346 -12.116 -2.048 1.00 0.00 O ATOM 720 OXT GLY A 170 10.883 -10.775 -3.704 1.00 0.00 O ATOM 0 H GLY A 170 8.527 -10.765 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 170 8.081 -11.283 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 170 8.628 -9.689 -3.241 1.00 0.00 H new TER 724 GLY A 170