USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 385 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 SER OG : rot 180:sc= 0 USER MOD Single : A 132 MET CE :methyl -171:sc= -3.29 (180deg=-3.51!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 92:sc= 1.3 USER MOD Single : A 148 LYS NZ :NH3+ -179:sc= -0.0102 (180deg=-0.0119) USER MOD Single : A 150 LYS NZ :NH3+ -147:sc= -0.207 (180deg=-0.98) USER MOD Single : A 152 THR OG1 : rot 55:sc= 1.12 USER MOD Single : A 159 THR OG1 : rot -89:sc= -0.408 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -93:sc= 0.704 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 13.036 1.337 16.003 1.00 0.00 N ATOM 2 CA GLY A 125 13.043 0.248 14.986 1.00 0.00 C ATOM 3 C GLY A 125 14.422 0.003 14.407 1.00 0.00 C ATOM 4 O GLY A 125 15.405 0.596 14.852 1.00 0.00 O ATOM 0 HA2 GLY A 125 12.675 -0.672 15.441 1.00 0.00 H new ATOM 0 HA3 GLY A 125 12.354 0.503 14.180 1.00 0.00 H new ATOM 10 N SER A 126 14.496 -0.874 13.411 1.00 0.00 N ATOM 11 CA SER A 126 15.765 -1.197 12.768 1.00 0.00 C ATOM 12 C SER A 126 15.577 -1.404 11.269 1.00 0.00 C ATOM 13 O SER A 126 16.223 -0.743 10.456 1.00 0.00 O ATOM 14 CB SER A 126 16.372 -2.453 13.396 1.00 0.00 C ATOM 15 OG SER A 126 15.368 -3.280 13.959 1.00 0.00 O ATOM 0 H SER A 126 13.692 -1.374 13.031 1.00 0.00 H new ATOM 0 HA SER A 126 16.445 -0.359 12.918 1.00 0.00 H new ATOM 0 HB2 SER A 126 16.924 -3.011 12.640 1.00 0.00 H new ATOM 0 HB3 SER A 126 17.087 -2.168 14.168 1.00 0.00 H new ATOM 0 HG SER A 126 15.783 -4.076 14.352 1.00 0.00 H new ATOM 21 N ARG A 127 14.687 -2.323 10.911 1.00 0.00 N ATOM 22 CA ARG A 127 14.411 -2.617 9.509 1.00 0.00 C ATOM 23 C ARG A 127 13.321 -1.700 8.963 1.00 0.00 C ATOM 24 O ARG A 127 13.288 -1.405 7.769 1.00 0.00 O ATOM 25 CB ARG A 127 13.992 -4.079 9.346 1.00 0.00 C ATOM 26 CG ARG A 127 15.151 -5.058 9.428 1.00 0.00 C ATOM 27 CD ARG A 127 14.668 -6.465 9.739 1.00 0.00 C ATOM 28 NE ARG A 127 14.134 -6.575 11.095 1.00 0.00 N ATOM 29 CZ ARG A 127 13.337 -7.561 11.500 1.00 0.00 C ATOM 30 NH1 ARG A 127 12.981 -8.524 10.660 1.00 0.00 N ATOM 31 NH2 ARG A 127 12.895 -7.583 12.750 1.00 0.00 N ATOM 0 H ARG A 127 14.144 -2.878 11.573 1.00 0.00 H new ATOM 0 HA ARG A 127 15.325 -2.442 8.941 1.00 0.00 H new ATOM 0 HB2 ARG A 127 13.263 -4.327 10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 127 13.493 -4.200 8.385 1.00 0.00 H new ATOM 0 HG2 ARG A 127 15.696 -5.059 8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 127 15.850 -4.733 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 127 13.898 -6.750 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 127 15.493 -7.167 9.617 1.00 0.00 H new ATOM 0 HE ARG A 127 14.387 -5.854 11.771 1.00 0.00 H new ATOM 0 HH11 ARG A 127 13.318 -8.512 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 127 12.370 -9.277 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 127 13.166 -6.845 13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 127 12.284 -8.338 13.062 1.00 0.00 H new ATOM 45 N GLU A 128 12.429 -1.255 9.848 1.00 0.00 N ATOM 46 CA GLU A 128 11.329 -0.370 9.467 1.00 0.00 C ATOM 47 C GLU A 128 10.596 -0.889 8.230 1.00 0.00 C ATOM 48 O GLU A 128 10.903 -1.967 7.720 1.00 0.00 O ATOM 49 CB GLU A 128 11.843 1.052 9.221 1.00 0.00 C ATOM 50 CG GLU A 128 12.694 1.195 7.968 1.00 0.00 C ATOM 51 CD GLU A 128 12.874 2.641 7.549 1.00 0.00 C ATOM 52 OE1 GLU A 128 13.809 3.295 8.056 1.00 0.00 O ATOM 53 OE2 GLU A 128 12.080 3.120 6.711 1.00 0.00 O ATOM 0 H GLU A 128 12.448 -1.495 10.839 1.00 0.00 H new ATOM 0 HA GLU A 128 10.620 -0.351 10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 128 10.991 1.728 9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 128 12.429 1.370 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 128 13.672 0.747 8.144 1.00 0.00 H new ATOM 0 HG3 GLU A 128 12.231 0.639 7.153 1.00 0.00 H new ATOM 60 N VAL A 129 9.624 -0.117 7.758 1.00 0.00 N ATOM 61 CA VAL A 129 8.844 -0.497 6.588 1.00 0.00 C ATOM 62 C VAL A 129 8.941 0.562 5.500 1.00 0.00 C ATOM 63 O VAL A 129 8.770 1.752 5.765 1.00 0.00 O ATOM 64 CB VAL A 129 7.358 -0.691 6.938 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.653 -1.495 5.857 1.00 0.00 C ATOM 66 CG2 VAL A 129 7.199 -1.358 8.298 1.00 0.00 C ATOM 0 H VAL A 129 9.357 0.778 8.169 1.00 0.00 H new ATOM 0 HA VAL A 129 9.259 -1.439 6.230 1.00 0.00 H new ATOM 0 HB VAL A 129 6.893 0.293 6.991 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.604 -1.621 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.725 -0.968 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.124 -2.474 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 129 6.139 -1.483 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 129 7.684 -2.334 8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 129 7.660 -0.735 9.065 1.00 0.00 H new ATOM 76 N ALA A 130 9.200 0.129 4.272 1.00 0.00 N ATOM 77 CA ALA A 130 9.299 1.055 3.154 1.00 0.00 C ATOM 78 C ALA A 130 7.943 1.234 2.483 1.00 0.00 C ATOM 79 O ALA A 130 7.092 0.347 2.534 1.00 0.00 O ATOM 80 CB ALA A 130 10.325 0.570 2.140 1.00 0.00 C ATOM 0 H ALA A 130 9.344 -0.851 4.027 1.00 0.00 H new ATOM 0 HA ALA A 130 9.626 2.019 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.382 1.278 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.301 0.492 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.028 -0.408 1.761 1.00 0.00 H new ATOM 86 N ALA A 131 7.756 2.380 1.849 1.00 0.00 N ATOM 87 CA ALA A 131 6.509 2.674 1.158 1.00 0.00 C ATOM 88 C ALA A 131 6.738 3.650 0.012 1.00 0.00 C ATOM 89 O ALA A 131 6.765 4.863 0.219 1.00 0.00 O ATOM 90 CB ALA A 131 5.484 3.232 2.134 1.00 0.00 C ATOM 0 H ALA A 131 8.452 3.124 1.798 1.00 0.00 H new ATOM 0 HA ALA A 131 6.124 1.744 0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.556 3.447 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.292 2.500 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.868 4.149 2.580 1.00 0.00 H new ATOM 96 N MET A 132 6.907 3.120 -1.201 1.00 0.00 N ATOM 97 CA MET A 132 7.134 3.964 -2.375 1.00 0.00 C ATOM 98 C MET A 132 6.144 5.134 -2.409 1.00 0.00 C ATOM 99 O MET A 132 5.167 5.147 -1.662 1.00 0.00 O ATOM 100 CB MET A 132 7.042 3.136 -3.661 1.00 0.00 C ATOM 101 CG MET A 132 5.759 2.329 -3.792 1.00 0.00 C ATOM 102 SD MET A 132 5.587 1.557 -5.414 1.00 0.00 S ATOM 103 CE MET A 132 7.243 0.925 -5.674 1.00 0.00 C ATOM 0 H MET A 132 6.891 2.119 -1.395 1.00 0.00 H new ATOM 0 HA MET A 132 8.140 4.378 -2.306 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.126 3.805 -4.517 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.892 2.455 -3.703 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.739 1.557 -3.023 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.904 2.981 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.338 0.563 -6.698 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.967 1.721 -5.502 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.433 0.106 -4.981 1.00 0.00 H new ATOM 113 N PRO A 133 6.394 6.141 -3.265 1.00 0.00 N ATOM 114 CA PRO A 133 5.531 7.327 -3.376 1.00 0.00 C ATOM 115 C PRO A 133 4.141 6.999 -3.906 1.00 0.00 C ATOM 116 O PRO A 133 3.134 7.429 -3.343 1.00 0.00 O ATOM 117 CB PRO A 133 6.277 8.234 -4.366 1.00 0.00 C ATOM 118 CG PRO A 133 7.664 7.690 -4.433 1.00 0.00 C ATOM 119 CD PRO A 133 7.539 6.217 -4.183 1.00 0.00 C ATOM 0 HA PRO A 133 5.361 7.785 -2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.802 8.220 -5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.277 9.270 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.113 7.884 -5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.305 8.160 -3.687 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.357 5.664 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.444 5.804 -3.737 1.00 0.00 H new ATOM 127 N ALA A 134 4.092 6.243 -4.995 1.00 0.00 N ATOM 128 CA ALA A 134 2.826 5.864 -5.607 1.00 0.00 C ATOM 129 C ALA A 134 1.898 5.195 -4.596 1.00 0.00 C ATOM 130 O ALA A 134 0.729 5.568 -4.467 1.00 0.00 O ATOM 131 CB ALA A 134 3.083 4.940 -6.787 1.00 0.00 C ATOM 0 H ALA A 134 4.916 5.880 -5.473 1.00 0.00 H new ATOM 0 HA ALA A 134 2.330 6.768 -5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.133 4.659 -7.242 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.701 5.454 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.600 4.044 -6.442 1.00 0.00 H new ATOM 137 N ALA A 135 2.427 4.209 -3.882 1.00 0.00 N ATOM 138 CA ALA A 135 1.654 3.484 -2.883 1.00 0.00 C ATOM 139 C ALA A 135 1.348 4.364 -1.678 1.00 0.00 C ATOM 140 O ALA A 135 0.280 4.260 -1.074 1.00 0.00 O ATOM 141 CB ALA A 135 2.395 2.229 -2.455 1.00 0.00 C ATOM 0 H ALA A 135 3.392 3.893 -3.977 1.00 0.00 H new ATOM 0 HA ALA A 135 0.704 3.194 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.807 1.696 -1.708 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.551 1.585 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.360 2.504 -2.029 1.00 0.00 H new ATOM 147 N ARG A 136 2.290 5.233 -1.338 1.00 0.00 N ATOM 148 CA ARG A 136 2.123 6.140 -0.210 1.00 0.00 C ATOM 149 C ARG A 136 1.021 7.149 -0.496 1.00 0.00 C ATOM 150 O ARG A 136 0.129 7.370 0.324 1.00 0.00 O ATOM 151 CB ARG A 136 3.432 6.878 0.061 1.00 0.00 C ATOM 152 CG ARG A 136 4.258 6.259 1.172 1.00 0.00 C ATOM 153 CD ARG A 136 4.029 6.966 2.498 1.00 0.00 C ATOM 154 NE ARG A 136 4.903 8.127 2.657 1.00 0.00 N ATOM 155 CZ ARG A 136 5.140 8.723 3.823 1.00 0.00 C ATOM 156 NH1 ARG A 136 4.569 8.274 4.935 1.00 0.00 N ATOM 157 NH2 ARG A 136 5.950 9.770 3.880 1.00 0.00 N ATOM 0 H ARG A 136 3.179 5.329 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 136 1.846 5.554 0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 136 4.025 6.898 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.209 7.913 0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 136 4.002 5.204 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 136 5.315 6.307 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 136 2.988 7.284 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.202 6.267 3.316 1.00 0.00 H new ATOM 0 HE ARG A 136 5.358 8.502 1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.945 7.468 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 136 4.755 8.735 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.392 10.120 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 136 6.131 10.226 4.774 1.00 0.00 H new ATOM 171 N ARG A 137 1.100 7.758 -1.670 1.00 0.00 N ATOM 172 CA ARG A 137 0.120 8.753 -2.087 1.00 0.00 C ATOM 173 C ARG A 137 -1.281 8.160 -2.109 1.00 0.00 C ATOM 174 O ARG A 137 -2.200 8.690 -1.484 1.00 0.00 O ATOM 175 CB ARG A 137 0.473 9.295 -3.471 1.00 0.00 C ATOM 176 CG ARG A 137 -0.393 10.468 -3.902 1.00 0.00 C ATOM 177 CD ARG A 137 -0.133 10.852 -5.350 1.00 0.00 C ATOM 178 NE ARG A 137 -0.133 12.302 -5.540 1.00 0.00 N ATOM 179 CZ ARG A 137 0.887 13.092 -5.215 1.00 0.00 C ATOM 180 NH1 ARG A 137 1.990 12.579 -4.685 1.00 0.00 N ATOM 181 NH2 ARG A 137 0.805 14.400 -5.421 1.00 0.00 N ATOM 0 H ARG A 137 1.835 7.580 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 137 0.140 9.570 -1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.518 9.604 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.375 8.493 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.445 10.210 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.195 11.324 -3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.827 10.445 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -0.895 10.403 -5.987 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.964 12.733 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 137 2.059 11.574 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.769 13.190 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -0.040 14.800 -5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.587 15.006 -5.172 1.00 0.00 H new ATOM 195 N LEU A 138 -1.439 7.056 -2.830 1.00 0.00 N ATOM 196 CA LEU A 138 -2.723 6.398 -2.929 1.00 0.00 C ATOM 197 C LEU A 138 -3.170 5.894 -1.564 1.00 0.00 C ATOM 198 O LEU A 138 -4.342 5.978 -1.220 1.00 0.00 O ATOM 199 CB LEU A 138 -2.635 5.241 -3.919 1.00 0.00 C ATOM 200 CG LEU A 138 -1.740 4.090 -3.486 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.484 3.160 -2.546 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.244 3.334 -4.703 1.00 0.00 C ATOM 0 H LEU A 138 -0.689 6.603 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.461 7.116 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.639 4.855 -4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.272 5.625 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.881 4.495 -2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.827 2.343 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.800 3.713 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.360 2.755 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.604 2.511 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.095 2.938 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.676 4.008 -5.344 1.00 0.00 H new ATOM 214 N ALA A 139 -2.227 5.365 -0.788 1.00 0.00 N ATOM 215 CA ALA A 139 -2.537 4.849 0.541 1.00 0.00 C ATOM 216 C ALA A 139 -3.190 5.926 1.399 1.00 0.00 C ATOM 217 O ALA A 139 -4.115 5.651 2.167 1.00 0.00 O ATOM 218 CB ALA A 139 -1.276 4.326 1.212 1.00 0.00 C ATOM 0 H ALA A 139 -1.246 5.283 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.242 4.025 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.523 3.944 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.849 3.524 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.551 5.135 1.305 1.00 0.00 H new ATOM 224 N LYS A 140 -2.701 7.155 1.259 1.00 0.00 N ATOM 225 CA LYS A 140 -3.231 8.284 2.013 1.00 0.00 C ATOM 226 C LYS A 140 -4.556 8.760 1.423 1.00 0.00 C ATOM 227 O LYS A 140 -5.431 9.237 2.147 1.00 0.00 O ATOM 228 CB LYS A 140 -2.221 9.434 2.023 1.00 0.00 C ATOM 229 CG LYS A 140 -2.685 10.645 2.816 1.00 0.00 C ATOM 230 CD LYS A 140 -1.755 11.830 2.620 1.00 0.00 C ATOM 231 CE LYS A 140 -2.429 13.137 3.002 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.529 14.307 2.803 1.00 0.00 N ATOM 0 H LYS A 140 -1.936 7.394 0.628 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.408 7.955 3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.280 9.076 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.019 9.738 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.694 10.918 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.734 10.391 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.857 11.693 3.223 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -1.436 11.875 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -3.331 13.268 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -2.741 13.093 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -2.027 15.178 3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.679 14.195 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -1.251 14.365 1.802 1.00 0.00 H new ATOM 246 N GLU A 141 -4.699 8.628 0.107 1.00 0.00 N ATOM 247 CA GLU A 141 -5.923 9.048 -0.573 1.00 0.00 C ATOM 248 C GLU A 141 -7.014 7.985 -0.444 1.00 0.00 C ATOM 249 O GLU A 141 -8.202 8.279 -0.584 1.00 0.00 O ATOM 250 CB GLU A 141 -5.633 9.331 -2.051 1.00 0.00 C ATOM 251 CG GLU A 141 -6.865 9.718 -2.853 1.00 0.00 C ATOM 252 CD GLU A 141 -6.619 9.687 -4.349 1.00 0.00 C ATOM 253 OE1 GLU A 141 -5.611 10.273 -4.797 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.436 9.078 -5.072 1.00 0.00 O ATOM 0 H GLU A 141 -3.987 8.235 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.281 9.961 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.898 10.133 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.182 8.446 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.682 9.039 -2.608 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.185 10.719 -2.561 1.00 0.00 H new ATOM 261 N LEU A 142 -6.599 6.753 -0.175 1.00 0.00 N ATOM 262 CA LEU A 142 -7.522 5.637 -0.025 1.00 0.00 C ATOM 263 C LEU A 142 -7.901 5.447 1.439 1.00 0.00 C ATOM 264 O LEU A 142 -8.986 4.957 1.752 1.00 0.00 O ATOM 265 CB LEU A 142 -6.879 4.357 -0.562 1.00 0.00 C ATOM 266 CG LEU A 142 -6.978 4.162 -2.077 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.655 3.667 -2.643 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.101 3.193 -2.414 1.00 0.00 C ATOM 0 H LEU A 142 -5.618 6.501 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.426 5.856 -0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.826 4.353 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.344 3.502 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.204 5.125 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.747 3.535 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.873 4.397 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.396 2.714 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.159 3.065 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.903 2.229 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.047 3.589 -2.045 1.00 0.00 H new ATOM 280 N GLY A 143 -6.992 5.827 2.331 1.00 0.00 N ATOM 281 CA GLY A 143 -7.240 5.683 3.752 1.00 0.00 C ATOM 282 C GLY A 143 -6.970 4.275 4.231 1.00 0.00 C ATOM 283 O GLY A 143 -7.720 3.729 5.041 1.00 0.00 O ATOM 0 H GLY A 143 -6.087 6.233 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.610 6.381 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.275 5.948 3.969 1.00 0.00 H new ATOM 287 N ILE A 144 -5.895 3.685 3.723 1.00 0.00 N ATOM 288 CA ILE A 144 -5.520 2.327 4.093 1.00 0.00 C ATOM 289 C ILE A 144 -4.159 2.307 4.785 1.00 0.00 C ATOM 290 O ILE A 144 -3.178 2.835 4.262 1.00 0.00 O ATOM 291 CB ILE A 144 -5.492 1.407 2.850 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.732 -0.051 3.254 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.178 1.555 2.089 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.511 -0.747 3.812 1.00 0.00 C ATOM 0 H ILE A 144 -5.267 4.127 3.052 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.271 1.953 4.789 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.298 1.712 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.528 -0.084 3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.086 -0.604 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.185 0.897 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.062 2.588 1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.347 1.286 2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.765 -1.774 4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.719 -0.749 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.167 -0.221 4.702 1.00 0.00 H new ATOM 306 N ASP A 145 -4.105 1.697 5.965 1.00 0.00 N ATOM 307 CA ASP A 145 -2.860 1.615 6.719 1.00 0.00 C ATOM 308 C ASP A 145 -1.787 0.898 5.907 1.00 0.00 C ATOM 309 O ASP A 145 -1.781 -0.331 5.821 1.00 0.00 O ATOM 310 CB ASP A 145 -3.087 0.882 8.044 1.00 0.00 C ATOM 311 CG ASP A 145 -2.427 1.584 9.214 1.00 0.00 C ATOM 312 OD1 ASP A 145 -3.021 2.551 9.737 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.317 1.168 9.607 1.00 0.00 O ATOM 0 H ASP A 145 -4.905 1.254 6.418 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.521 2.629 6.929 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.158 0.799 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.697 -0.133 7.966 1.00 0.00 H new ATOM 318 N ALA A 146 -0.882 1.668 5.311 1.00 0.00 N ATOM 319 CA ALA A 146 0.190 1.095 4.508 1.00 0.00 C ATOM 320 C ALA A 146 1.021 0.118 5.331 1.00 0.00 C ATOM 321 O ALA A 146 1.395 -0.952 4.849 1.00 0.00 O ATOM 322 CB ALA A 146 1.069 2.193 3.931 1.00 0.00 C ATOM 0 H ALA A 146 -0.870 2.686 5.369 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.260 0.544 3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.864 1.746 3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.467 2.848 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.507 2.773 4.743 1.00 0.00 H new ATOM 328 N SER A 147 1.298 0.482 6.580 1.00 0.00 N ATOM 329 CA SER A 147 2.075 -0.376 7.467 1.00 0.00 C ATOM 330 C SER A 147 1.441 -1.758 7.550 1.00 0.00 C ATOM 331 O SER A 147 2.111 -2.771 7.355 1.00 0.00 O ATOM 332 CB SER A 147 2.183 0.245 8.862 1.00 0.00 C ATOM 333 OG SER A 147 1.238 1.288 9.033 1.00 0.00 O ATOM 0 H SER A 147 0.997 1.362 6.999 1.00 0.00 H new ATOM 0 HA SER A 147 3.080 -0.475 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.022 -0.523 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.190 0.634 9.013 1.00 0.00 H new ATOM 0 HG SER A 147 0.417 0.924 9.425 1.00 0.00 H new ATOM 339 N LYS A 148 0.137 -1.794 7.814 1.00 0.00 N ATOM 340 CA LYS A 148 -0.580 -3.058 7.886 1.00 0.00 C ATOM 341 C LYS A 148 -0.405 -3.817 6.572 1.00 0.00 C ATOM 342 O LYS A 148 -0.399 -5.047 6.543 1.00 0.00 O ATOM 343 CB LYS A 148 -2.064 -2.817 8.205 1.00 0.00 C ATOM 344 CG LYS A 148 -2.986 -2.876 6.997 1.00 0.00 C ATOM 345 CD LYS A 148 -3.337 -4.311 6.649 1.00 0.00 C ATOM 346 CE LYS A 148 -4.729 -4.682 7.135 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.819 -4.676 8.622 1.00 0.00 N ATOM 0 H LYS A 148 -0.438 -0.968 7.980 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.169 -3.665 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.391 -3.559 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.167 -1.840 8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.897 -2.315 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.504 -2.399 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.280 -4.448 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.604 -4.984 7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.456 -3.981 6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -4.993 -5.671 6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.779 -4.951 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.132 -5.351 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.609 -3.722 8.979 1.00 0.00 H new ATOM 361 N VAL A 149 -0.238 -3.059 5.488 1.00 0.00 N ATOM 362 CA VAL A 149 -0.034 -3.635 4.168 1.00 0.00 C ATOM 363 C VAL A 149 1.432 -4.024 3.986 1.00 0.00 C ATOM 364 O VAL A 149 2.217 -3.259 3.433 1.00 0.00 O ATOM 365 CB VAL A 149 -0.442 -2.636 3.062 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.017 -3.107 1.689 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.945 -2.414 3.078 1.00 0.00 C ATOM 0 H VAL A 149 -0.241 -2.039 5.504 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.660 -4.523 4.086 1.00 0.00 H new ATOM 0 HB VAL A 149 0.054 -1.688 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.287 -2.381 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.103 -3.205 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.436 -4.073 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.217 -1.708 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.455 -3.362 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.243 -2.013 4.047 1.00 0.00 H new ATOM 377 N LYS A 150 1.794 -5.212 4.465 1.00 0.00 N ATOM 378 CA LYS A 150 3.170 -5.696 4.364 1.00 0.00 C ATOM 379 C LYS A 150 3.693 -5.587 2.934 1.00 0.00 C ATOM 380 O LYS A 150 3.529 -6.505 2.130 1.00 0.00 O ATOM 381 CB LYS A 150 3.256 -7.147 4.836 1.00 0.00 C ATOM 382 CG LYS A 150 2.324 -8.089 4.090 1.00 0.00 C ATOM 383 CD LYS A 150 1.786 -9.178 5.003 1.00 0.00 C ATOM 384 CE LYS A 150 2.578 -10.468 4.860 1.00 0.00 C ATOM 385 NZ LYS A 150 2.556 -10.981 3.461 1.00 0.00 N ATOM 0 H LYS A 150 1.154 -5.858 4.927 1.00 0.00 H new ATOM 0 HA LYS A 150 3.791 -5.069 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.282 -7.497 4.720 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.024 -7.188 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.493 -7.523 3.669 1.00 0.00 H new ATOM 0 HG3 LYS A 150 2.856 -8.543 3.254 1.00 0.00 H new ATOM 0 HD2 LYS A 150 1.826 -8.839 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.738 -9.366 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.610 -10.297 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 150 2.167 -11.223 5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.578 -12.021 3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.689 -10.658 2.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 3.386 -10.623 2.947 1.00 0.00 H new ATOM 399 N GLY A 151 4.321 -4.457 2.627 1.00 0.00 N ATOM 400 CA GLY A 151 4.858 -4.242 1.297 1.00 0.00 C ATOM 401 C GLY A 151 5.906 -5.263 0.910 1.00 0.00 C ATOM 402 O GLY A 151 6.715 -5.681 1.739 1.00 0.00 O ATOM 0 H GLY A 151 4.468 -3.685 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.044 -4.273 0.573 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.294 -3.244 1.244 1.00 0.00 H new ATOM 406 N THR A 152 5.895 -5.661 -0.358 1.00 0.00 N ATOM 407 CA THR A 152 6.855 -6.639 -0.863 1.00 0.00 C ATOM 408 C THR A 152 7.719 -6.032 -1.971 1.00 0.00 C ATOM 409 O THR A 152 8.406 -6.749 -2.697 1.00 0.00 O ATOM 410 CB THR A 152 6.128 -7.895 -1.376 1.00 0.00 C ATOM 411 OG1 THR A 152 6.407 -8.127 -2.746 1.00 0.00 O ATOM 412 CG2 THR A 152 4.624 -7.828 -1.228 1.00 0.00 C ATOM 0 H THR A 152 5.232 -5.322 -1.055 1.00 0.00 H new ATOM 0 HA THR A 152 7.509 -6.928 -0.040 1.00 0.00 H new ATOM 0 HB THR A 152 6.506 -8.705 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.377 -8.167 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.179 -8.747 -1.610 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.367 -7.711 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.240 -6.978 -1.792 1.00 0.00 H new ATOM 420 N GLY A 153 7.680 -4.707 -2.096 1.00 0.00 N ATOM 421 CA GLY A 153 8.460 -4.039 -3.119 1.00 0.00 C ATOM 422 C GLY A 153 9.940 -3.979 -2.782 1.00 0.00 C ATOM 423 O GLY A 153 10.313 -4.053 -1.611 1.00 0.00 O ATOM 0 H GLY A 153 7.123 -4.088 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.328 -4.559 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.081 -3.026 -3.255 1.00 0.00 H new ATOM 427 N PRO A 154 10.811 -3.837 -3.798 1.00 0.00 N ATOM 428 CA PRO A 154 12.263 -3.768 -3.605 1.00 0.00 C ATOM 429 C PRO A 154 12.664 -2.871 -2.439 1.00 0.00 C ATOM 430 O PRO A 154 12.639 -1.646 -2.546 1.00 0.00 O ATOM 431 CB PRO A 154 12.756 -3.183 -4.926 1.00 0.00 C ATOM 432 CG PRO A 154 11.770 -3.661 -5.934 1.00 0.00 C ATOM 433 CD PRO A 154 10.442 -3.727 -5.223 1.00 0.00 C ATOM 0 HA PRO A 154 12.689 -4.741 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.791 -2.094 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.763 -3.527 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.723 -2.982 -6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.053 -4.639 -6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.842 -2.837 -5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.854 -4.584 -5.551 1.00 0.00 H new ATOM 441 N GLY A 155 13.034 -3.494 -1.326 1.00 0.00 N ATOM 442 CA GLY A 155 13.434 -2.742 -0.152 1.00 0.00 C ATOM 443 C GLY A 155 12.314 -2.627 0.862 1.00 0.00 C ATOM 444 O GLY A 155 12.300 -1.710 1.682 1.00 0.00 O ATOM 0 H GLY A 155 13.064 -4.508 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.294 -3.226 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.753 -1.744 -0.453 1.00 0.00 H new ATOM 448 N GLY A 156 11.370 -3.562 0.804 1.00 0.00 N ATOM 449 CA GLY A 156 10.252 -3.543 1.727 1.00 0.00 C ATOM 450 C GLY A 156 9.275 -2.422 1.438 1.00 0.00 C ATOM 451 O GLY A 156 8.527 -2.004 2.322 1.00 0.00 O ATOM 0 H GLY A 156 11.360 -4.331 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.728 -4.498 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.628 -3.439 2.745 1.00 0.00 H new ATOM 455 N VAL A 157 9.278 -1.921 0.204 1.00 0.00 N ATOM 456 CA VAL A 157 8.381 -0.834 -0.161 1.00 0.00 C ATOM 457 C VAL A 157 7.019 -1.368 -0.579 1.00 0.00 C ATOM 458 O VAL A 157 6.919 -2.192 -1.489 1.00 0.00 O ATOM 459 CB VAL A 157 8.956 0.061 -1.299 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.445 -0.154 -1.486 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.234 -0.163 -2.624 1.00 0.00 C ATOM 0 H VAL A 157 9.884 -2.247 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 157 8.275 -0.216 0.731 1.00 0.00 H new ATOM 0 HB VAL A 157 8.789 1.092 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.807 0.488 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 157 10.967 0.091 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.633 -1.197 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.668 0.482 -3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.341 -1.205 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.177 0.074 -2.507 1.00 0.00 H new ATOM 471 N ILE A 158 5.965 -0.879 0.063 1.00 0.00 N ATOM 472 CA ILE A 158 4.625 -1.304 -0.296 1.00 0.00 C ATOM 473 C ILE A 158 4.346 -0.864 -1.722 1.00 0.00 C ATOM 474 O ILE A 158 4.272 0.326 -2.015 1.00 0.00 O ATOM 475 CB ILE A 158 3.553 -0.740 0.658 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.595 0.787 0.703 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.739 -1.309 2.054 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.279 1.394 1.133 1.00 0.00 C ATOM 0 H ILE A 158 6.013 -0.199 0.822 1.00 0.00 H new ATOM 0 HA ILE A 158 4.574 -2.390 -0.212 1.00 0.00 H new ATOM 0 HB ILE A 158 2.577 -1.039 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.379 1.105 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.862 1.168 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 158 2.976 -0.902 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.649 -2.395 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.726 -1.039 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.367 2.480 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.497 1.102 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.023 1.038 2.131 1.00 0.00 H new ATOM 490 N THR A 159 4.242 -1.828 -2.620 1.00 0.00 N ATOM 491 CA THR A 159 4.027 -1.516 -4.020 1.00 0.00 C ATOM 492 C THR A 159 2.597 -1.083 -4.279 1.00 0.00 C ATOM 493 O THR A 159 1.682 -1.394 -3.516 1.00 0.00 O ATOM 494 CB THR A 159 4.403 -2.711 -4.893 1.00 0.00 C ATOM 495 OG1 THR A 159 3.670 -3.862 -4.517 1.00 0.00 O ATOM 496 CG2 THR A 159 5.876 -3.051 -4.814 1.00 0.00 C ATOM 0 H THR A 159 4.302 -2.824 -2.407 1.00 0.00 H new ATOM 0 HA THR A 159 4.673 -0.678 -4.282 1.00 0.00 H new ATOM 0 HB THR A 159 4.163 -2.418 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.161 -4.351 -3.824 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.086 -3.908 -5.454 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.465 -2.196 -5.146 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.139 -3.294 -3.784 1.00 0.00 H new ATOM 504 N VAL A 160 2.418 -0.339 -5.356 1.00 0.00 N ATOM 505 CA VAL A 160 1.104 0.167 -5.721 1.00 0.00 C ATOM 506 C VAL A 160 0.087 -0.957 -5.811 1.00 0.00 C ATOM 507 O VAL A 160 -1.046 -0.826 -5.345 1.00 0.00 O ATOM 508 CB VAL A 160 1.123 0.935 -7.057 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.212 2.129 -6.945 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.529 1.377 -7.440 1.00 0.00 C ATOM 0 H VAL A 160 3.166 -0.071 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 160 0.816 0.858 -4.929 1.00 0.00 H new ATOM 0 HB VAL A 160 0.774 0.267 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.218 2.680 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.802 1.794 -6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.560 2.778 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.496 1.914 -8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.928 2.032 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.171 0.502 -7.541 1.00 0.00 H new ATOM 520 N GLU A 161 0.502 -2.065 -6.401 1.00 0.00 N ATOM 521 CA GLU A 161 -0.363 -3.223 -6.544 1.00 0.00 C ATOM 522 C GLU A 161 -0.687 -3.806 -5.174 1.00 0.00 C ATOM 523 O GLU A 161 -1.740 -4.411 -4.973 1.00 0.00 O ATOM 524 CB GLU A 161 0.305 -4.280 -7.424 1.00 0.00 C ATOM 525 CG GLU A 161 0.012 -4.109 -8.905 1.00 0.00 C ATOM 526 CD GLU A 161 -1.371 -4.602 -9.287 1.00 0.00 C ATOM 527 OE1 GLU A 161 -2.342 -4.246 -8.586 1.00 0.00 O ATOM 528 OE2 GLU A 161 -1.483 -5.341 -10.288 1.00 0.00 O ATOM 0 H GLU A 161 1.437 -2.187 -6.790 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.291 -2.910 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.383 -4.242 -7.268 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.028 -5.268 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 161 0.104 -3.056 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.760 -4.651 -9.484 1.00 0.00 H new ATOM 535 N ASP A 162 0.227 -3.606 -4.231 1.00 0.00 N ATOM 536 CA ASP A 162 0.040 -4.103 -2.875 1.00 0.00 C ATOM 537 C ASP A 162 -1.081 -3.341 -2.183 1.00 0.00 C ATOM 538 O ASP A 162 -1.962 -3.934 -1.558 1.00 0.00 O ATOM 539 CB ASP A 162 1.333 -3.964 -2.065 1.00 0.00 C ATOM 540 CG ASP A 162 2.375 -5.002 -2.432 1.00 0.00 C ATOM 541 OD1 ASP A 162 1.992 -6.071 -2.953 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.577 -4.745 -2.197 1.00 0.00 O ATOM 0 H ASP A 162 1.102 -3.104 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.227 -5.158 -2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.748 -2.969 -2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.101 -4.049 -1.003 1.00 0.00 H new ATOM 547 N VAL A 163 -1.041 -2.020 -2.303 1.00 0.00 N ATOM 548 CA VAL A 163 -2.054 -1.167 -1.686 1.00 0.00 C ATOM 549 C VAL A 163 -3.377 -1.238 -2.438 1.00 0.00 C ATOM 550 O VAL A 163 -4.444 -1.275 -1.831 1.00 0.00 O ATOM 551 CB VAL A 163 -1.636 0.321 -1.625 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.945 0.910 -0.254 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.169 0.529 -1.975 1.00 0.00 C ATOM 0 H VAL A 163 -0.321 -1.515 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.164 -1.551 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.223 0.846 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.644 1.957 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.015 0.836 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.398 0.359 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.072 1.590 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.455 -0.024 -1.272 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.018 0.169 -2.987 1.00 0.00 H new ATOM 563 N LYS A 164 -3.303 -1.226 -3.762 1.00 0.00 N ATOM 564 CA LYS A 164 -4.496 -1.261 -4.593 1.00 0.00 C ATOM 565 C LYS A 164 -5.316 -2.520 -4.348 1.00 0.00 C ATOM 566 O LYS A 164 -6.533 -2.454 -4.173 1.00 0.00 O ATOM 567 CB LYS A 164 -4.099 -1.163 -6.063 1.00 0.00 C ATOM 568 CG LYS A 164 -4.408 0.187 -6.683 1.00 0.00 C ATOM 569 CD LYS A 164 -4.905 0.045 -8.113 1.00 0.00 C ATOM 570 CE LYS A 164 -4.709 1.330 -8.902 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.827 1.571 -9.855 1.00 0.00 N ATOM 0 H LYS A 164 -2.427 -1.192 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.121 -0.409 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.031 -1.362 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.619 -1.940 -6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -5.161 0.699 -6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.513 0.808 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.373 -0.770 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.962 -0.222 -8.107 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -4.631 2.171 -8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -3.769 1.280 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -5.656 2.456 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -5.885 0.781 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -6.721 1.645 -9.329 1.00 0.00 H new ATOM 585 N ARG A 165 -4.648 -3.663 -4.344 1.00 0.00 N ATOM 586 CA ARG A 165 -5.322 -4.938 -4.130 1.00 0.00 C ATOM 587 C ARG A 165 -5.732 -5.118 -2.671 1.00 0.00 C ATOM 588 O ARG A 165 -6.830 -5.595 -2.380 1.00 0.00 O ATOM 589 CB ARG A 165 -4.418 -6.087 -4.571 1.00 0.00 C ATOM 590 CG ARG A 165 -3.923 -5.945 -6.000 1.00 0.00 C ATOM 591 CD ARG A 165 -2.951 -7.056 -6.367 1.00 0.00 C ATOM 592 NE ARG A 165 -3.637 -8.325 -6.597 1.00 0.00 N ATOM 593 CZ ARG A 165 -3.034 -9.512 -6.569 1.00 0.00 C ATOM 594 NH1 ARG A 165 -1.731 -9.597 -6.326 1.00 0.00 N ATOM 595 NH2 ARG A 165 -3.734 -10.617 -6.787 1.00 0.00 N ATOM 0 H ARG A 165 -3.641 -3.736 -4.486 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.231 -4.943 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -3.561 -6.144 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -4.962 -7.027 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -4.772 -5.963 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -3.435 -4.978 -6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.399 -6.774 -7.263 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -2.220 -7.178 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 165 -4.638 -8.300 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -1.187 -8.750 -6.160 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -1.274 -10.509 -6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -4.735 -10.558 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -3.272 -11.526 -6.766 1.00 0.00 H new ATOM 609 N TRP A 166 -4.845 -4.739 -1.757 1.00 0.00 N ATOM 610 CA TRP A 166 -5.126 -4.869 -0.330 1.00 0.00 C ATOM 611 C TRP A 166 -6.250 -3.931 0.102 1.00 0.00 C ATOM 612 O TRP A 166 -7.152 -4.328 0.840 1.00 0.00 O ATOM 613 CB TRP A 166 -3.866 -4.581 0.485 1.00 0.00 C ATOM 614 CG TRP A 166 -3.942 -5.092 1.889 1.00 0.00 C ATOM 615 CD1 TRP A 166 -4.917 -4.827 2.806 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.005 -5.960 2.534 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.643 -5.478 3.985 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.474 -6.180 3.842 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.815 -6.572 2.133 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.795 -6.987 4.751 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.142 -7.373 3.036 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.633 -7.574 4.332 1.00 0.00 C ATOM 0 H TRP A 166 -3.931 -4.342 -1.976 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.448 -5.894 -0.145 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.008 -5.033 -0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -3.693 -3.505 0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.777 -4.198 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.216 -5.444 4.828 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.428 -6.422 1.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.172 -7.144 5.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.221 -7.852 2.737 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.083 -8.205 5.014 1.00 0.00 H new ATOM 633 N ALA A 167 -6.187 -2.685 -0.353 1.00 0.00 N ATOM 634 CA ALA A 167 -7.194 -1.690 -0.008 1.00 0.00 C ATOM 635 C ALA A 167 -8.544 -2.028 -0.632 1.00 0.00 C ATOM 636 O ALA A 167 -9.574 -1.988 0.040 1.00 0.00 O ATOM 637 CB ALA A 167 -6.737 -0.306 -0.441 1.00 0.00 C ATOM 0 H ALA A 167 -5.447 -2.340 -0.964 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.318 -1.697 1.075 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.499 0.428 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -5.803 -0.057 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.581 -0.295 -1.520 1.00 0.00 H new ATOM 643 N GLU A 168 -8.535 -2.363 -1.920 1.00 0.00 N ATOM 644 CA GLU A 168 -9.767 -2.709 -2.621 1.00 0.00 C ATOM 645 C GLU A 168 -10.427 -3.926 -1.983 1.00 0.00 C ATOM 646 O GLU A 168 -11.652 -4.003 -1.886 1.00 0.00 O ATOM 647 CB GLU A 168 -9.484 -2.976 -4.103 1.00 0.00 C ATOM 648 CG GLU A 168 -8.719 -4.266 -4.355 1.00 0.00 C ATOM 649 CD GLU A 168 -8.398 -4.475 -5.823 1.00 0.00 C ATOM 650 OE1 GLU A 168 -8.435 -3.487 -6.586 1.00 0.00 O ATOM 651 OE2 GLU A 168 -8.107 -5.627 -6.208 1.00 0.00 O ATOM 0 H GLU A 168 -7.694 -2.402 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.452 -1.864 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.430 -3.013 -4.644 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.915 -2.141 -4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.792 -4.252 -3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.306 -5.109 -3.991 1.00 0.00 H new ATOM 658 N GLU A 169 -9.605 -4.876 -1.550 1.00 0.00 N ATOM 659 CA GLU A 169 -10.105 -6.093 -0.918 1.00 0.00 C ATOM 660 C GLU A 169 -10.929 -5.764 0.325 1.00 0.00 C ATOM 661 O GLU A 169 -11.861 -6.488 0.674 1.00 0.00 O ATOM 662 CB GLU A 169 -8.940 -7.012 -0.546 1.00 0.00 C ATOM 663 CG GLU A 169 -8.763 -8.186 -1.497 1.00 0.00 C ATOM 664 CD GLU A 169 -9.243 -9.496 -0.902 1.00 0.00 C ATOM 665 OE1 GLU A 169 -10.362 -9.521 -0.348 1.00 0.00 O ATOM 666 OE2 GLU A 169 -8.500 -10.495 -0.990 1.00 0.00 O ATOM 0 H GLU A 169 -8.589 -4.827 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.750 -6.606 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.020 -6.428 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.097 -7.393 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.310 -7.988 -2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.710 -8.277 -1.764 1.00 0.00 H new ATOM 673 N THR A 170 -10.578 -4.666 0.988 1.00 0.00 N ATOM 674 CA THR A 170 -11.280 -4.240 2.190 1.00 0.00 C ATOM 675 C THR A 170 -12.694 -3.780 1.855 1.00 0.00 C ATOM 676 O THR A 170 -13.667 -4.245 2.449 1.00 0.00 O ATOM 677 CB THR A 170 -10.512 -3.112 2.877 1.00 0.00 C ATOM 678 OG1 THR A 170 -10.748 -1.875 2.227 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.015 -3.335 2.911 1.00 0.00 C ATOM 0 H THR A 170 -9.810 -4.055 0.711 1.00 0.00 H new ATOM 0 HA THR A 170 -11.345 -5.091 2.868 1.00 0.00 H new ATOM 0 HB THR A 170 -10.882 -3.097 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.052 -1.721 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.533 -2.496 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 170 -8.796 -4.255 3.452 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.636 -3.415 1.892 1.00 0.00 H new ATOM 687 N ALA A 171 -12.802 -2.871 0.891 1.00 0.00 N ATOM 688 CA ALA A 171 -14.099 -2.360 0.468 1.00 0.00 C ATOM 689 C ALA A 171 -14.890 -3.444 -0.252 1.00 0.00 C ATOM 690 O ALA A 171 -16.121 -3.449 -0.233 1.00 0.00 O ATOM 691 CB ALA A 171 -13.923 -1.144 -0.428 1.00 0.00 C ATOM 0 H ALA A 171 -12.007 -2.474 0.389 1.00 0.00 H new ATOM 0 HA ALA A 171 -14.658 -2.058 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -14.901 -0.774 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.395 -0.363 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.347 -1.422 -1.310 1.00 0.00 H new ATOM 697 N LYS A 172 -14.169 -4.367 -0.883 1.00 0.00 N ATOM 698 CA LYS A 172 -14.791 -5.465 -1.610 1.00 0.00 C ATOM 699 C LYS A 172 -15.545 -6.385 -0.653 1.00 0.00 C ATOM 700 O LYS A 172 -16.557 -6.981 -1.018 1.00 0.00 O ATOM 701 CB LYS A 172 -13.726 -6.257 -2.372 1.00 0.00 C ATOM 702 CG LYS A 172 -13.776 -6.050 -3.877 1.00 0.00 C ATOM 703 CD LYS A 172 -14.874 -6.883 -4.517 1.00 0.00 C ATOM 704 CE LYS A 172 -15.256 -6.348 -5.890 1.00 0.00 C ATOM 705 NZ LYS A 172 -14.919 -7.312 -6.974 1.00 0.00 N ATOM 0 H LYS A 172 -13.149 -4.374 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.504 -5.050 -2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.740 -5.969 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -13.849 -7.318 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -13.944 -4.995 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -12.814 -6.317 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -14.541 -7.917 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -15.752 -6.887 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -16.325 -6.135 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -14.739 -5.405 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -15.194 -6.911 -7.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -13.895 -7.496 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -15.432 -8.203 -6.818 1.00 0.00 H new ATOM 719 N ALA A 173 -15.042 -6.491 0.573 1.00 0.00 N ATOM 720 CA ALA A 173 -15.665 -7.336 1.585 1.00 0.00 C ATOM 721 C ALA A 173 -16.830 -6.618 2.258 1.00 0.00 C ATOM 722 O ALA A 173 -16.643 -5.603 2.929 1.00 0.00 O ATOM 723 CB ALA A 173 -14.635 -7.762 2.620 1.00 0.00 C ATOM 0 H ALA A 173 -14.205 -6.002 0.889 1.00 0.00 H new ATOM 0 HA ALA A 173 -16.058 -8.225 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.112 -8.392 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.837 -8.321 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.216 -6.878 3.102 1.00 0.00 H new ATOM 729 N THR A 174 -18.033 -7.151 2.073 1.00 0.00 N ATOM 730 CA THR A 174 -19.229 -6.560 2.663 1.00 0.00 C ATOM 731 C THR A 174 -20.251 -7.636 3.014 1.00 0.00 C ATOM 732 O THR A 174 -20.691 -8.395 2.151 1.00 0.00 O ATOM 733 CB THR A 174 -19.850 -5.546 1.700 1.00 0.00 C ATOM 734 OG1 THR A 174 -21.147 -5.176 2.129 1.00 0.00 O ATOM 735 CG2 THR A 174 -19.965 -6.061 0.282 1.00 0.00 C ATOM 0 H THR A 174 -18.206 -7.990 1.520 1.00 0.00 H new ATOM 0 HA THR A 174 -18.937 -6.049 3.580 1.00 0.00 H new ATOM 0 HB THR A 174 -19.174 -4.691 1.705 1.00 0.00 H new ATOM 0 HG1 THR A 174 -21.526 -4.526 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 174 -20.413 -5.293 -0.349 1.00 0.00 H new ATOM 0 HG22 THR A 174 -18.973 -6.309 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 174 -20.592 -6.953 0.268 1.00 0.00 H new ATOM 743 N ALA A 175 -20.626 -7.695 4.288 1.00 0.00 N ATOM 744 CA ALA A 175 -21.596 -8.677 4.755 1.00 0.00 C ATOM 745 C ALA A 175 -22.940 -8.023 5.056 1.00 0.00 C ATOM 746 O ALA A 175 -23.818 -8.708 5.619 1.00 0.00 O ATOM 747 CB ALA A 175 -21.068 -9.395 5.988 1.00 0.00 C ATOM 748 OXT ALA A 175 -23.101 -6.828 4.728 1.00 0.00 O ATOM 0 H ALA A 175 -20.272 -7.073 5.015 1.00 0.00 H new ATOM 0 HA ALA A 175 -21.748 -9.407 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -21.803 -10.126 6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -20.137 -9.905 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -20.886 -8.670 6.781 1.00 0.00 H new TER 754 ALA A 175