USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=8 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 -175:sc= -4.84! (180deg=-4.91!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 97:sc= 1.26 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ -159:sc= -0.0207 (180deg=-0.212) USER MOD Single : A 152 THR OG1 : rot 54:sc= 1.1 USER MOD Single : A 159 THR OG1 : rot -73:sc= -0.345 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -69:sc= -0.283 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot 9:sc= 1.52 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 19.520 3.180 10.486 1.00 0.00 N ATOM 2 CA GLY A 125 19.772 1.773 10.069 1.00 0.00 C ATOM 3 C GLY A 125 18.828 1.314 8.975 1.00 0.00 C ATOM 4 O GLY A 125 18.031 0.397 9.178 1.00 0.00 O ATOM 0 HA2 GLY A 125 20.800 1.679 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 125 19.668 1.117 10.933 1.00 0.00 H new ATOM 10 N SER A 126 18.919 1.951 7.813 1.00 0.00 N ATOM 11 CA SER A 126 18.066 1.604 6.682 1.00 0.00 C ATOM 12 C SER A 126 16.594 1.800 7.030 1.00 0.00 C ATOM 13 O SER A 126 16.256 2.167 8.155 1.00 0.00 O ATOM 14 CB SER A 126 18.313 0.155 6.257 1.00 0.00 C ATOM 15 OG SER A 126 19.521 0.036 5.526 1.00 0.00 O ATOM 0 H SER A 126 19.575 2.710 7.629 1.00 0.00 H new ATOM 0 HA SER A 126 18.316 2.267 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 126 18.354 -0.484 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 126 17.480 -0.196 5.648 1.00 0.00 H new ATOM 0 HG SER A 126 19.656 -0.900 5.268 1.00 0.00 H new ATOM 21 N ARG A 127 15.723 1.553 6.057 1.00 0.00 N ATOM 22 CA ARG A 127 14.287 1.702 6.261 1.00 0.00 C ATOM 23 C ARG A 127 13.615 0.341 6.414 1.00 0.00 C ATOM 24 O ARG A 127 13.540 -0.437 5.462 1.00 0.00 O ATOM 25 CB ARG A 127 13.662 2.467 5.092 1.00 0.00 C ATOM 26 CG ARG A 127 13.301 3.905 5.429 1.00 0.00 C ATOM 27 CD ARG A 127 14.341 4.880 4.902 1.00 0.00 C ATOM 28 NE ARG A 127 14.409 6.098 5.707 1.00 0.00 N ATOM 29 CZ ARG A 127 15.040 6.178 6.877 1.00 0.00 C ATOM 30 NH1 ARG A 127 15.658 5.117 7.380 1.00 0.00 N ATOM 31 NH2 ARG A 127 15.052 7.324 7.544 1.00 0.00 N ATOM 0 H ARG A 127 15.987 1.249 5.120 1.00 0.00 H new ATOM 0 HA ARG A 127 14.131 2.267 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.358 2.463 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 127 12.764 1.943 4.764 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.327 4.146 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.213 4.015 6.510 1.00 0.00 H new ATOM 0 HD2 ARG A 127 15.318 4.397 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 127 14.104 5.140 3.870 1.00 0.00 H new ATOM 0 HE ARG A 127 13.946 6.935 5.352 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.652 4.234 6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.140 5.185 8.277 1.00 0.00 H new ATOM 0 HH21 ARG A 127 14.578 8.142 7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 127 15.535 7.387 8.440 1.00 0.00 H new ATOM 45 N GLU A 128 13.127 0.060 7.618 1.00 0.00 N ATOM 46 CA GLU A 128 12.461 -1.207 7.895 1.00 0.00 C ATOM 47 C GLU A 128 11.165 -1.322 7.103 1.00 0.00 C ATOM 48 O GLU A 128 10.974 -2.264 6.334 1.00 0.00 O ATOM 49 CB GLU A 128 12.171 -1.339 9.392 1.00 0.00 C ATOM 50 CG GLU A 128 13.420 -1.304 10.257 1.00 0.00 C ATOM 51 CD GLU A 128 14.172 -2.621 10.250 1.00 0.00 C ATOM 52 OE1 GLU A 128 13.556 -3.657 10.578 1.00 0.00 O ATOM 53 OE2 GLU A 128 15.375 -2.615 9.918 1.00 0.00 O ATOM 0 H GLU A 128 13.180 0.692 8.417 1.00 0.00 H new ATOM 0 HA GLU A 128 13.127 -2.014 7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 128 11.505 -0.532 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.641 -2.275 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 128 14.080 -0.511 9.904 1.00 0.00 H new ATOM 0 HG3 GLU A 128 13.141 -1.054 11.281 1.00 0.00 H new ATOM 60 N VAL A 129 10.279 -0.354 7.296 1.00 0.00 N ATOM 61 CA VAL A 129 8.998 -0.336 6.605 1.00 0.00 C ATOM 62 C VAL A 129 9.013 0.665 5.461 1.00 0.00 C ATOM 63 O VAL A 129 8.644 1.827 5.640 1.00 0.00 O ATOM 64 CB VAL A 129 7.845 0.038 7.552 1.00 0.00 C ATOM 65 CG1 VAL A 129 6.523 -0.499 7.025 1.00 0.00 C ATOM 66 CG2 VAL A 129 8.107 -0.468 8.964 1.00 0.00 C ATOM 0 H VAL A 129 10.426 0.432 7.929 1.00 0.00 H new ATOM 0 HA VAL A 129 8.839 -1.344 6.222 1.00 0.00 H new ATOM 0 HB VAL A 129 7.783 1.125 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 129 5.720 -0.224 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.324 -0.074 6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.577 -1.585 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.275 -0.189 9.611 1.00 0.00 H new ATOM 0 HG22 VAL A 129 8.206 -1.553 8.949 1.00 0.00 H new ATOM 0 HG23 VAL A 129 9.027 -0.025 9.345 1.00 0.00 H new ATOM 76 N ALA A 130 9.432 0.222 4.284 1.00 0.00 N ATOM 77 CA ALA A 130 9.476 1.102 3.129 1.00 0.00 C ATOM 78 C ALA A 130 8.097 1.242 2.502 1.00 0.00 C ATOM 79 O ALA A 130 7.279 0.322 2.554 1.00 0.00 O ATOM 80 CB ALA A 130 10.474 0.595 2.099 1.00 0.00 C ATOM 0 H ALA A 130 9.743 -0.733 4.106 1.00 0.00 H new ATOM 0 HA ALA A 130 9.802 2.085 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.489 1.270 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.468 0.553 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.182 -0.402 1.769 1.00 0.00 H new ATOM 86 N ALA A 131 7.850 2.396 1.902 1.00 0.00 N ATOM 87 CA ALA A 131 6.577 2.662 1.249 1.00 0.00 C ATOM 88 C ALA A 131 6.750 3.664 0.114 1.00 0.00 C ATOM 89 O ALA A 131 6.732 4.873 0.342 1.00 0.00 O ATOM 90 CB ALA A 131 5.563 3.174 2.261 1.00 0.00 C ATOM 0 H ALA A 131 8.517 3.166 1.854 1.00 0.00 H new ATOM 0 HA ALA A 131 6.207 1.729 0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.615 3.369 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.415 2.425 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.932 4.096 2.711 1.00 0.00 H new ATOM 96 N MET A 132 6.926 3.159 -1.111 1.00 0.00 N ATOM 97 CA MET A 132 7.106 4.035 -2.271 1.00 0.00 C ATOM 98 C MET A 132 6.090 5.180 -2.251 1.00 0.00 C ATOM 99 O MET A 132 5.102 5.130 -1.518 1.00 0.00 O ATOM 100 CB MET A 132 7.011 3.239 -3.580 1.00 0.00 C ATOM 101 CG MET A 132 5.747 2.403 -3.718 1.00 0.00 C ATOM 102 SD MET A 132 5.611 1.617 -5.337 1.00 0.00 S ATOM 103 CE MET A 132 7.078 0.590 -5.345 1.00 0.00 C ATOM 0 H MET A 132 6.948 2.162 -1.323 1.00 0.00 H new ATOM 0 HA MET A 132 8.104 4.469 -2.215 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.066 3.934 -4.418 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.877 2.581 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.736 1.636 -2.943 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.876 3.037 -3.551 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.180 0.109 -6.318 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.955 1.207 -5.151 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.993 -0.172 -4.571 1.00 0.00 H new ATOM 113 N PRO A 133 6.330 6.242 -3.041 1.00 0.00 N ATOM 114 CA PRO A 133 5.444 7.413 -3.090 1.00 0.00 C ATOM 115 C PRO A 133 4.069 7.089 -3.656 1.00 0.00 C ATOM 116 O PRO A 133 3.045 7.442 -3.069 1.00 0.00 O ATOM 117 CB PRO A 133 6.182 8.395 -4.012 1.00 0.00 C ATOM 118 CG PRO A 133 7.583 7.887 -4.089 1.00 0.00 C ATOM 119 CD PRO A 133 7.487 6.398 -3.932 1.00 0.00 C ATOM 0 HA PRO A 133 5.253 7.807 -2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.721 8.429 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.153 9.408 -3.611 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.043 8.151 -5.041 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.201 8.324 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.332 5.899 -4.889 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.393 5.977 -3.496 1.00 0.00 H new ATOM 127 N ALA A 134 4.053 6.424 -4.802 1.00 0.00 N ATOM 128 CA ALA A 134 2.805 6.058 -5.456 1.00 0.00 C ATOM 129 C ALA A 134 1.888 5.281 -4.514 1.00 0.00 C ATOM 130 O ALA A 134 0.702 5.588 -4.393 1.00 0.00 O ATOM 131 CB ALA A 134 3.101 5.243 -6.706 1.00 0.00 C ATOM 0 H ALA A 134 4.892 6.126 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 134 2.284 6.973 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.165 4.971 -7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.708 5.835 -7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.643 4.338 -6.431 1.00 0.00 H new ATOM 137 N ALA A 135 2.449 4.276 -3.852 1.00 0.00 N ATOM 138 CA ALA A 135 1.691 3.446 -2.923 1.00 0.00 C ATOM 139 C ALA A 135 1.299 4.228 -1.676 1.00 0.00 C ATOM 140 O ALA A 135 0.225 4.024 -1.113 1.00 0.00 O ATOM 141 CB ALA A 135 2.494 2.212 -2.549 1.00 0.00 C ATOM 0 H ALA A 135 3.431 4.015 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 135 0.773 3.132 -3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.918 1.600 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.713 1.634 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.428 2.515 -2.076 1.00 0.00 H new ATOM 147 N ARG A 136 2.177 5.127 -1.255 1.00 0.00 N ATOM 148 CA ARG A 136 1.925 5.947 -0.079 1.00 0.00 C ATOM 149 C ARG A 136 0.814 6.950 -0.356 1.00 0.00 C ATOM 150 O ARG A 136 -0.137 7.080 0.416 1.00 0.00 O ATOM 151 CB ARG A 136 3.202 6.681 0.321 1.00 0.00 C ATOM 152 CG ARG A 136 3.970 5.990 1.432 1.00 0.00 C ATOM 153 CD ARG A 136 4.751 6.984 2.275 1.00 0.00 C ATOM 154 NE ARG A 136 5.278 6.373 3.494 1.00 0.00 N ATOM 155 CZ ARG A 136 6.207 6.936 4.263 1.00 0.00 C ATOM 156 NH1 ARG A 136 6.709 8.123 3.949 1.00 0.00 N ATOM 157 NH2 ARG A 136 6.633 6.310 5.352 1.00 0.00 N ATOM 0 H ARG A 136 3.071 5.307 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 136 1.610 5.299 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.847 6.775 -0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.947 7.692 0.640 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.276 5.440 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.655 5.260 1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.575 7.389 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.105 7.822 2.539 1.00 0.00 H new ATOM 0 HE ARG A 136 4.912 5.462 3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 136 6.383 8.610 3.114 1.00 0.00 H new ATOM 0 HH12 ARG A 136 7.421 8.549 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 136 6.249 5.398 5.599 1.00 0.00 H new ATOM 0 HH22 ARG A 136 7.345 6.740 5.942 1.00 0.00 H new ATOM 171 N ARG A 137 0.947 7.653 -1.472 1.00 0.00 N ATOM 172 CA ARG A 137 -0.035 8.652 -1.877 1.00 0.00 C ATOM 173 C ARG A 137 -1.422 8.035 -1.993 1.00 0.00 C ATOM 174 O ARG A 137 -2.373 8.492 -1.360 1.00 0.00 O ATOM 175 CB ARG A 137 0.365 9.270 -3.215 1.00 0.00 C ATOM 176 CG ARG A 137 -0.481 10.469 -3.610 1.00 0.00 C ATOM 177 CD ARG A 137 0.011 11.743 -2.943 1.00 0.00 C ATOM 178 NE ARG A 137 -0.919 12.853 -3.131 1.00 0.00 N ATOM 179 CZ ARG A 137 -0.890 13.974 -2.416 1.00 0.00 C ATOM 180 NH1 ARG A 137 0.018 14.139 -1.462 1.00 0.00 N ATOM 181 NH2 ARG A 137 -1.773 14.934 -2.653 1.00 0.00 N ATOM 0 H ARG A 137 1.730 7.550 -2.117 1.00 0.00 H new ATOM 0 HA ARG A 137 -0.063 9.429 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.411 9.574 -3.167 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.289 8.511 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -0.457 10.592 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -1.520 10.290 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.151 11.564 -1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.985 12.013 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 137 -1.633 12.763 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.699 13.404 -1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 137 0.035 15.001 -0.917 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -2.474 14.813 -3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -1.751 15.794 -2.105 1.00 0.00 H new ATOM 195 N LEU A 138 -1.527 6.988 -2.803 1.00 0.00 N ATOM 196 CA LEU A 138 -2.787 6.304 -3.002 1.00 0.00 C ATOM 197 C LEU A 138 -3.298 5.734 -1.686 1.00 0.00 C ATOM 198 O LEU A 138 -4.491 5.771 -1.407 1.00 0.00 O ATOM 199 CB LEU A 138 -2.610 5.190 -4.030 1.00 0.00 C ATOM 200 CG LEU A 138 -1.735 4.031 -3.579 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.532 3.059 -2.730 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.147 3.327 -4.784 1.00 0.00 C ATOM 0 H LEU A 138 -0.747 6.597 -3.332 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.522 7.018 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.593 4.801 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.181 5.618 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.921 4.424 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.888 2.237 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.916 3.575 -1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.365 2.666 -3.312 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.522 2.498 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.953 2.945 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.543 4.030 -5.357 1.00 0.00 H new ATOM 214 N ALA A 139 -2.385 5.201 -0.879 1.00 0.00 N ATOM 215 CA ALA A 139 -2.751 4.619 0.407 1.00 0.00 C ATOM 216 C ALA A 139 -3.497 5.629 1.271 1.00 0.00 C ATOM 217 O ALA A 139 -4.475 5.289 1.940 1.00 0.00 O ATOM 218 CB ALA A 139 -1.511 4.117 1.132 1.00 0.00 C ATOM 0 H ALA A 139 -1.388 5.160 -1.093 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.416 3.775 0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.800 3.685 2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -1.018 3.357 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.826 4.948 1.300 1.00 0.00 H new ATOM 224 N LYS A 140 -3.026 6.872 1.250 1.00 0.00 N ATOM 225 CA LYS A 140 -3.642 7.939 2.030 1.00 0.00 C ATOM 226 C LYS A 140 -4.927 8.433 1.367 1.00 0.00 C ATOM 227 O LYS A 140 -5.851 8.883 2.045 1.00 0.00 O ATOM 228 CB LYS A 140 -2.661 9.103 2.201 1.00 0.00 C ATOM 229 CG LYS A 140 -1.998 9.142 3.568 1.00 0.00 C ATOM 230 CD LYS A 140 -0.729 8.306 3.598 1.00 0.00 C ATOM 231 CE LYS A 140 0.513 9.169 3.450 1.00 0.00 C ATOM 232 NZ LYS A 140 1.596 8.752 4.384 1.00 0.00 N ATOM 0 H LYS A 140 -2.218 7.165 0.700 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.896 7.537 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.890 9.033 1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -3.191 10.041 2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -1.761 10.173 3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.695 8.774 4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.679 7.753 4.536 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.759 7.569 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.876 9.109 2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 140 0.255 10.211 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.425 9.366 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 1.259 8.833 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 1.861 7.765 4.190 1.00 0.00 H new ATOM 246 N GLU A 141 -4.979 8.350 0.040 1.00 0.00 N ATOM 247 CA GLU A 141 -6.153 8.793 -0.707 1.00 0.00 C ATOM 248 C GLU A 141 -7.233 7.712 -0.739 1.00 0.00 C ATOM 249 O GLU A 141 -8.399 7.993 -1.017 1.00 0.00 O ATOM 250 CB GLU A 141 -5.756 9.176 -2.134 1.00 0.00 C ATOM 251 CG GLU A 141 -6.920 9.664 -2.982 1.00 0.00 C ATOM 252 CD GLU A 141 -7.452 11.007 -2.526 1.00 0.00 C ATOM 253 OE1 GLU A 141 -7.987 11.084 -1.399 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.333 11.985 -3.294 1.00 0.00 O ATOM 0 H GLU A 141 -4.224 7.981 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.563 9.666 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.996 9.956 -2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.301 8.312 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -6.601 9.738 -4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.724 8.928 -2.947 1.00 0.00 H new ATOM 261 N LEU A 142 -6.835 6.475 -0.462 1.00 0.00 N ATOM 262 CA LEU A 142 -7.756 5.348 -0.465 1.00 0.00 C ATOM 263 C LEU A 142 -8.210 5.014 0.950 1.00 0.00 C ATOM 264 O LEU A 142 -9.309 4.497 1.156 1.00 0.00 O ATOM 265 CB LEU A 142 -7.078 4.129 -1.089 1.00 0.00 C ATOM 266 CG LEU A 142 -7.097 4.083 -2.618 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.745 3.644 -3.160 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.196 3.153 -3.106 1.00 0.00 C ATOM 0 H LEU A 142 -5.873 6.228 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.632 5.621 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -6.041 4.099 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.562 3.230 -0.709 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.303 5.087 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.781 3.618 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.978 4.349 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.506 2.650 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.197 3.131 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.019 2.148 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.161 3.512 -2.750 1.00 0.00 H new ATOM 280 N GLY A 143 -7.352 5.302 1.923 1.00 0.00 N ATOM 281 CA GLY A 143 -7.676 5.015 3.306 1.00 0.00 C ATOM 282 C GLY A 143 -7.320 3.595 3.690 1.00 0.00 C ATOM 283 O GLY A 143 -8.017 2.962 4.483 1.00 0.00 O ATOM 0 H GLY A 143 -6.437 5.729 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -7.143 5.710 3.955 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.741 5.179 3.470 1.00 0.00 H new ATOM 287 N ILE A 144 -6.228 3.096 3.123 1.00 0.00 N ATOM 288 CA ILE A 144 -5.768 1.742 3.401 1.00 0.00 C ATOM 289 C ILE A 144 -4.498 1.770 4.247 1.00 0.00 C ATOM 290 O ILE A 144 -3.515 2.417 3.885 1.00 0.00 O ATOM 291 CB ILE A 144 -5.509 0.965 2.087 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.616 -0.547 2.314 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.148 1.325 1.506 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.392 -1.149 2.947 1.00 0.00 C ATOM 0 H ILE A 144 -5.643 3.612 2.465 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.553 1.230 3.958 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.276 1.255 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.480 -0.751 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -5.799 -1.037 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -3.987 0.767 0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -4.114 2.394 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.368 1.072 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.540 -2.221 3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.528 -0.977 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -4.220 -0.686 3.919 1.00 0.00 H new ATOM 306 N ASP A 145 -4.521 1.070 5.374 1.00 0.00 N ATOM 307 CA ASP A 145 -3.363 1.025 6.258 1.00 0.00 C ATOM 308 C ASP A 145 -2.158 0.438 5.533 1.00 0.00 C ATOM 309 O ASP A 145 -2.049 -0.778 5.380 1.00 0.00 O ATOM 310 CB ASP A 145 -3.675 0.192 7.502 1.00 0.00 C ATOM 311 CG ASP A 145 -3.014 0.744 8.749 1.00 0.00 C ATOM 312 OD1 ASP A 145 -1.812 0.473 8.955 1.00 0.00 O ATOM 313 OD2 ASP A 145 -3.698 1.447 9.522 1.00 0.00 O ATOM 0 H ASP A 145 -5.323 0.529 5.696 1.00 0.00 H new ATOM 0 HA ASP A 145 -3.127 2.045 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -4.754 0.158 7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -3.342 -0.834 7.342 1.00 0.00 H new ATOM 318 N ALA A 146 -1.253 1.303 5.088 1.00 0.00 N ATOM 319 CA ALA A 146 -0.062 0.852 4.379 1.00 0.00 C ATOM 320 C ALA A 146 0.756 -0.100 5.244 1.00 0.00 C ATOM 321 O ALA A 146 1.193 -1.154 4.779 1.00 0.00 O ATOM 322 CB ALA A 146 0.784 2.036 3.942 1.00 0.00 C ATOM 0 H ALA A 146 -1.321 2.314 5.205 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.383 0.312 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 146 1.668 1.677 3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.201 2.675 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.091 2.607 4.818 1.00 0.00 H new ATOM 328 N SER A 147 0.952 0.267 6.508 1.00 0.00 N ATOM 329 CA SER A 147 1.710 -0.568 7.431 1.00 0.00 C ATOM 330 C SER A 147 1.151 -1.985 7.441 1.00 0.00 C ATOM 331 O SER A 147 1.894 -2.956 7.299 1.00 0.00 O ATOM 332 CB SER A 147 1.680 0.025 8.841 1.00 0.00 C ATOM 333 OG SER A 147 0.634 0.972 8.976 1.00 0.00 O ATOM 0 H SER A 147 0.598 1.133 6.914 1.00 0.00 H new ATOM 0 HA SER A 147 2.746 -0.603 7.094 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.548 -0.773 9.571 1.00 0.00 H new ATOM 0 HB3 SER A 147 2.636 0.501 9.059 1.00 0.00 H new ATOM 0 HG SER A 147 -0.146 0.542 9.385 1.00 0.00 H new ATOM 339 N LYS A 148 -0.169 -2.096 7.576 1.00 0.00 N ATOM 340 CA LYS A 148 -0.819 -3.399 7.567 1.00 0.00 C ATOM 341 C LYS A 148 -0.482 -4.118 6.265 1.00 0.00 C ATOM 342 O LYS A 148 -0.344 -5.340 6.227 1.00 0.00 O ATOM 343 CB LYS A 148 -2.338 -3.245 7.739 1.00 0.00 C ATOM 344 CG LYS A 148 -3.137 -3.349 6.445 1.00 0.00 C ATOM 345 CD LYS A 148 -3.374 -4.802 6.066 1.00 0.00 C ATOM 346 CE LYS A 148 -4.788 -5.245 6.403 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.860 -5.904 7.737 1.00 0.00 N ATOM 0 H LYS A 148 -0.802 -1.305 7.692 1.00 0.00 H new ATOM 0 HA LYS A 148 -0.454 -3.994 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.691 -4.009 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -2.542 -2.279 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -4.093 -2.839 6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.602 -2.843 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.195 -4.934 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.659 -5.436 6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -5.452 -4.381 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.145 -5.934 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.841 -6.191 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -4.246 -6.743 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -4.544 -5.238 8.471 1.00 0.00 H new ATOM 361 N VAL A 149 -0.339 -3.331 5.202 1.00 0.00 N ATOM 362 CA VAL A 149 -0.007 -3.855 3.890 1.00 0.00 C ATOM 363 C VAL A 149 1.485 -4.153 3.786 1.00 0.00 C ATOM 364 O VAL A 149 2.256 -3.344 3.275 1.00 0.00 O ATOM 365 CB VAL A 149 -0.424 -2.843 2.809 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.098 -3.226 1.435 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.929 -2.725 2.792 1.00 0.00 C ATOM 0 H VAL A 149 -0.450 -2.317 5.230 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.549 -4.788 3.739 1.00 0.00 H new ATOM 0 HB VAL A 149 0.019 -1.878 3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.221 -2.483 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.187 -3.268 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.297 -4.203 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.229 -2.009 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.368 -3.698 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.278 -2.383 3.766 1.00 0.00 H new ATOM 377 N LYS A 150 1.883 -5.324 4.279 1.00 0.00 N ATOM 378 CA LYS A 150 3.282 -5.741 4.248 1.00 0.00 C ATOM 379 C LYS A 150 3.868 -5.596 2.848 1.00 0.00 C ATOM 380 O LYS A 150 3.765 -6.504 2.022 1.00 0.00 O ATOM 381 CB LYS A 150 3.409 -7.191 4.716 1.00 0.00 C ATOM 382 CG LYS A 150 2.553 -8.164 3.921 1.00 0.00 C ATOM 383 CD LYS A 150 1.616 -8.953 4.823 1.00 0.00 C ATOM 384 CE LYS A 150 2.142 -10.354 5.085 1.00 0.00 C ATOM 385 NZ LYS A 150 2.085 -11.206 3.866 1.00 0.00 N ATOM 0 H LYS A 150 1.253 -6.003 4.706 1.00 0.00 H new ATOM 0 HA LYS A 150 3.842 -5.093 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 150 4.453 -7.497 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 150 3.130 -7.250 5.768 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.970 -7.616 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 150 3.197 -8.852 3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 150 1.492 -8.427 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.631 -9.014 4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 150 3.171 -10.295 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 150 1.558 -10.818 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 2.104 -12.209 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 1.208 -11.007 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 2.904 -10.999 3.259 1.00 0.00 H new ATOM 399 N GLY A 151 4.474 -4.445 2.589 1.00 0.00 N ATOM 400 CA GLY A 151 5.062 -4.186 1.290 1.00 0.00 C ATOM 401 C GLY A 151 6.080 -5.226 0.874 1.00 0.00 C ATOM 402 O GLY A 151 6.884 -5.681 1.687 1.00 0.00 O ATOM 0 H GLY A 151 4.569 -3.682 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.270 -4.144 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.539 -3.206 1.304 1.00 0.00 H new ATOM 406 N THR A 152 6.046 -5.595 -0.402 1.00 0.00 N ATOM 407 CA THR A 152 6.976 -6.583 -0.941 1.00 0.00 C ATOM 408 C THR A 152 7.842 -5.965 -2.042 1.00 0.00 C ATOM 409 O THR A 152 8.505 -6.677 -2.796 1.00 0.00 O ATOM 410 CB THR A 152 6.213 -7.807 -1.479 1.00 0.00 C ATOM 411 OG1 THR A 152 6.476 -8.014 -2.857 1.00 0.00 O ATOM 412 CG2 THR A 152 4.710 -7.704 -1.316 1.00 0.00 C ATOM 0 H THR A 152 5.384 -5.225 -1.084 1.00 0.00 H new ATOM 0 HA THR A 152 7.630 -6.912 -0.134 1.00 0.00 H new ATOM 0 HB THR A 152 6.575 -8.642 -0.879 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.444 -8.071 -3.000 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.238 -8.601 -1.717 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.465 -7.607 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.345 -6.830 -1.855 1.00 0.00 H new ATOM 420 N GLY A 153 7.830 -4.637 -2.130 1.00 0.00 N ATOM 421 CA GLY A 153 8.614 -3.952 -3.140 1.00 0.00 C ATOM 422 C GLY A 153 10.090 -3.880 -2.790 1.00 0.00 C ATOM 423 O GLY A 153 10.456 -3.970 -1.618 1.00 0.00 O ATOM 0 H GLY A 153 7.290 -4.024 -1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.496 -4.465 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.227 -2.942 -3.271 1.00 0.00 H new ATOM 427 N PRO A 154 10.967 -3.709 -3.799 1.00 0.00 N ATOM 428 CA PRO A 154 12.418 -3.625 -3.595 1.00 0.00 C ATOM 429 C PRO A 154 12.801 -2.733 -2.421 1.00 0.00 C ATOM 430 O PRO A 154 12.720 -1.508 -2.504 1.00 0.00 O ATOM 431 CB PRO A 154 12.915 -3.028 -4.909 1.00 0.00 C ATOM 432 CG PRO A 154 11.937 -3.502 -5.926 1.00 0.00 C ATOM 433 CD PRO A 154 10.605 -3.577 -5.224 1.00 0.00 C ATOM 0 HA PRO A 154 12.852 -4.595 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.945 -1.939 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.925 -3.366 -5.142 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.893 -2.817 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 154 12.226 -4.477 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 154 10.007 -2.684 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 154 10.018 -4.428 -5.569 1.00 0.00 H new ATOM 441 N GLY A 155 13.222 -3.358 -1.327 1.00 0.00 N ATOM 442 CA GLY A 155 13.611 -2.611 -0.148 1.00 0.00 C ATOM 443 C GLY A 155 12.498 -2.535 0.878 1.00 0.00 C ATOM 444 O GLY A 155 12.504 -1.663 1.748 1.00 0.00 O ATOM 0 H GLY A 155 13.301 -4.371 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.486 -3.078 0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.903 -1.602 -0.440 1.00 0.00 H new ATOM 448 N GLY A 156 11.540 -3.451 0.777 1.00 0.00 N ATOM 449 CA GLY A 156 10.430 -3.468 1.709 1.00 0.00 C ATOM 450 C GLY A 156 9.424 -2.368 1.437 1.00 0.00 C ATOM 451 O GLY A 156 8.677 -1.976 2.334 1.00 0.00 O ATOM 0 H GLY A 156 11.514 -4.182 0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.929 -4.435 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.812 -3.363 2.725 1.00 0.00 H new ATOM 455 N VAL A 157 9.403 -1.855 0.209 1.00 0.00 N ATOM 456 CA VAL A 157 8.477 -0.786 -0.132 1.00 0.00 C ATOM 457 C VAL A 157 7.120 -1.339 -0.542 1.00 0.00 C ATOM 458 O VAL A 157 7.024 -2.152 -1.460 1.00 0.00 O ATOM 459 CB VAL A 157 9.015 0.142 -1.260 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.508 -0.021 -1.462 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.289 -0.079 -2.582 1.00 0.00 C ATOM 0 H VAL A 157 10.008 -2.159 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 157 8.369 -0.188 0.773 1.00 0.00 H new ATOM 0 HB VAL A 157 8.819 1.162 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.842 0.644 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 157 11.030 0.228 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.728 -1.053 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.699 0.590 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.422 -1.113 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.226 0.127 -2.452 1.00 0.00 H new ATOM 471 N ILE A 158 6.064 -0.871 0.117 1.00 0.00 N ATOM 472 CA ILE A 158 4.726 -1.306 -0.235 1.00 0.00 C ATOM 473 C ILE A 158 4.448 -0.880 -1.666 1.00 0.00 C ATOM 474 O ILE A 158 4.367 0.309 -1.966 1.00 0.00 O ATOM 475 CB ILE A 158 3.651 -0.736 0.717 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.657 0.791 0.713 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.870 -1.253 2.129 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.328 1.382 1.117 1.00 0.00 C ATOM 0 H ILE A 158 6.111 -0.201 0.885 1.00 0.00 H new ATOM 0 HA ILE A 158 4.676 -2.391 -0.140 1.00 0.00 H new ATOM 0 HB ILE A 158 2.678 -1.071 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.430 1.149 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.920 1.146 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.105 -0.843 2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.807 -2.341 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.855 -0.946 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.392 2.470 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.556 1.050 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.075 1.053 2.125 1.00 0.00 H new ATOM 490 N THR A 159 4.360 -1.848 -2.561 1.00 0.00 N ATOM 491 CA THR A 159 4.157 -1.538 -3.963 1.00 0.00 C ATOM 492 C THR A 159 2.729 -1.110 -4.240 1.00 0.00 C ATOM 493 O THR A 159 1.806 -1.430 -3.491 1.00 0.00 O ATOM 494 CB THR A 159 4.548 -2.728 -4.834 1.00 0.00 C ATOM 495 OG1 THR A 159 3.916 -3.912 -4.387 1.00 0.00 O ATOM 496 CG2 THR A 159 6.041 -2.974 -4.845 1.00 0.00 C ATOM 0 H THR A 159 4.425 -2.843 -2.345 1.00 0.00 H new ATOM 0 HA THR A 159 4.802 -0.696 -4.215 1.00 0.00 H new ATOM 0 HB THR A 159 4.223 -2.476 -5.843 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.338 -4.214 -3.556 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.264 -3.832 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.552 -2.093 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.384 -3.175 -3.830 1.00 0.00 H new ATOM 504 N VAL A 160 2.566 -0.364 -5.318 1.00 0.00 N ATOM 505 CA VAL A 160 1.262 0.144 -5.703 1.00 0.00 C ATOM 506 C VAL A 160 0.247 -0.974 -5.844 1.00 0.00 C ATOM 507 O VAL A 160 -0.912 -0.826 -5.457 1.00 0.00 O ATOM 508 CB VAL A 160 1.310 0.936 -7.019 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.280 2.030 -6.957 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.693 1.516 -7.284 1.00 0.00 C ATOM 0 H VAL A 160 3.325 -0.096 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 160 0.956 0.815 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 160 1.091 0.259 -7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.301 2.602 -7.884 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.709 1.592 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.500 2.690 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.682 2.068 -8.224 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.967 2.189 -6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.421 0.707 -7.347 1.00 0.00 H new ATOM 520 N GLU A 161 0.687 -2.092 -6.392 1.00 0.00 N ATOM 521 CA GLU A 161 -0.190 -3.230 -6.572 1.00 0.00 C ATOM 522 C GLU A 161 -0.576 -3.805 -5.221 1.00 0.00 C ATOM 523 O GLU A 161 -1.670 -4.336 -5.050 1.00 0.00 O ATOM 524 CB GLU A 161 0.489 -4.302 -7.429 1.00 0.00 C ATOM 525 CG GLU A 161 0.286 -4.105 -8.921 1.00 0.00 C ATOM 526 CD GLU A 161 1.480 -4.563 -9.736 1.00 0.00 C ATOM 527 OE1 GLU A 161 2.624 -4.287 -9.319 1.00 0.00 O ATOM 528 OE2 GLU A 161 1.270 -5.198 -10.792 1.00 0.00 O ATOM 0 H GLU A 161 1.643 -2.234 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.091 -2.898 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 161 1.557 -4.305 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 161 0.104 -5.281 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.599 -4.655 -9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 161 0.096 -3.051 -9.122 1.00 0.00 H new ATOM 535 N ASP A 162 0.324 -3.675 -4.257 1.00 0.00 N ATOM 536 CA ASP A 162 0.063 -4.177 -2.918 1.00 0.00 C ATOM 537 C ASP A 162 -1.082 -3.405 -2.285 1.00 0.00 C ATOM 538 O ASP A 162 -2.111 -3.975 -1.903 1.00 0.00 O ATOM 539 CB ASP A 162 1.311 -4.033 -2.040 1.00 0.00 C ATOM 540 CG ASP A 162 2.416 -5.007 -2.405 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.110 -6.048 -3.021 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.591 -4.722 -2.073 1.00 0.00 O ATOM 0 H ASP A 162 1.234 -3.230 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.204 -5.231 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.691 -3.015 -2.124 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.033 -4.184 -0.997 1.00 0.00 H new ATOM 547 N VAL A 163 -0.897 -2.093 -2.196 1.00 0.00 N ATOM 548 CA VAL A 163 -1.906 -1.219 -1.611 1.00 0.00 C ATOM 549 C VAL A 163 -3.228 -1.374 -2.334 1.00 0.00 C ATOM 550 O VAL A 163 -4.283 -1.426 -1.714 1.00 0.00 O ATOM 551 CB VAL A 163 -1.518 0.277 -1.649 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.808 0.931 -0.307 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.064 0.492 -2.036 1.00 0.00 C ATOM 0 H VAL A 163 -0.059 -1.612 -2.521 1.00 0.00 H new ATOM 0 HA VAL A 163 -1.987 -1.526 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.128 0.746 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.530 1.984 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -2.871 0.845 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.231 0.433 0.472 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.155 1.560 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.582 -0.004 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.114 0.074 -3.027 1.00 0.00 H new ATOM 563 N LYS A 164 -3.161 -1.442 -3.653 1.00 0.00 N ATOM 564 CA LYS A 164 -4.353 -1.588 -4.460 1.00 0.00 C ATOM 565 C LYS A 164 -5.080 -2.878 -4.105 1.00 0.00 C ATOM 566 O LYS A 164 -6.311 -2.933 -4.118 1.00 0.00 O ATOM 567 CB LYS A 164 -3.975 -1.570 -5.936 1.00 0.00 C ATOM 568 CG LYS A 164 -4.315 -0.263 -6.631 1.00 0.00 C ATOM 569 CD LYS A 164 -5.599 -0.374 -7.435 1.00 0.00 C ATOM 570 CE LYS A 164 -6.803 0.100 -6.637 1.00 0.00 C ATOM 571 NZ LYS A 164 -7.654 1.039 -7.419 1.00 0.00 N ATOM 0 H LYS A 164 -2.292 -1.398 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.027 -0.755 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.905 -1.756 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -4.487 -2.387 -6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -4.417 0.528 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.496 0.023 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -5.510 0.217 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -5.749 -1.410 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -7.398 -0.761 -6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -6.463 0.592 -5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -8.464 1.338 -6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -7.094 1.873 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -8.000 0.562 -8.276 1.00 0.00 H new ATOM 585 N ARG A 165 -4.312 -3.916 -3.784 1.00 0.00 N ATOM 586 CA ARG A 165 -4.888 -5.206 -3.427 1.00 0.00 C ATOM 587 C ARG A 165 -5.677 -5.128 -2.121 1.00 0.00 C ATOM 588 O ARG A 165 -6.831 -5.565 -2.064 1.00 0.00 O ATOM 589 CB ARG A 165 -3.791 -6.261 -3.310 1.00 0.00 C ATOM 590 CG ARG A 165 -3.062 -6.512 -4.618 1.00 0.00 C ATOM 591 CD ARG A 165 -3.460 -7.844 -5.235 1.00 0.00 C ATOM 592 NE ARG A 165 -3.241 -7.868 -6.679 1.00 0.00 N ATOM 593 CZ ARG A 165 -2.060 -8.103 -7.247 1.00 0.00 C ATOM 594 NH1 ARG A 165 -0.989 -8.333 -6.499 1.00 0.00 N ATOM 595 NH2 ARG A 165 -1.951 -8.111 -8.568 1.00 0.00 N ATOM 0 H ARG A 165 -3.293 -3.888 -3.764 1.00 0.00 H new ATOM 0 HA ARG A 165 -5.579 -5.490 -4.221 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -3.071 -5.945 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -4.230 -7.196 -2.961 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -3.282 -5.706 -5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -1.986 -6.498 -4.444 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -2.886 -8.645 -4.768 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -4.511 -8.041 -5.025 1.00 0.00 H new ATOM 0 HE ARG A 165 -4.040 -7.694 -7.288 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -1.067 -8.331 -5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -0.087 -8.512 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -2.772 -7.937 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -1.047 -8.291 -9.004 1.00 0.00 H new ATOM 609 N TRP A 166 -5.083 -4.562 -1.071 1.00 0.00 N ATOM 610 CA TRP A 166 -5.803 -4.455 0.188 1.00 0.00 C ATOM 611 C TRP A 166 -6.853 -3.378 0.087 1.00 0.00 C ATOM 612 O TRP A 166 -8.014 -3.600 0.398 1.00 0.00 O ATOM 613 CB TRP A 166 -4.866 -4.089 1.332 1.00 0.00 C ATOM 614 CG TRP A 166 -3.605 -4.852 1.350 1.00 0.00 C ATOM 615 CD1 TRP A 166 -2.526 -4.562 0.611 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.269 -5.982 2.153 1.00 0.00 C ATOM 617 NE1 TRP A 166 -1.517 -5.456 0.865 1.00 0.00 N ATOM 618 CE2 TRP A 166 -1.950 -6.340 1.817 1.00 0.00 C ATOM 619 CE3 TRP A 166 -3.950 -6.731 3.113 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -1.298 -7.412 2.412 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -3.300 -7.795 3.706 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.986 -8.125 3.353 1.00 0.00 C ATOM 0 H TRP A 166 -4.136 -4.183 -1.068 1.00 0.00 H new ATOM 0 HA TRP A 166 -6.258 -5.425 0.388 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -4.633 -3.026 1.270 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -5.386 -4.247 2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -2.460 -3.740 -0.087 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -0.599 -5.461 0.420 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -4.965 -6.484 3.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -0.285 -7.672 2.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -3.813 -8.382 4.454 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -1.505 -8.963 3.836 1.00 0.00 H new ATOM 633 N ALA A 167 -6.431 -2.207 -0.363 1.00 0.00 N ATOM 634 CA ALA A 167 -7.323 -1.073 -0.499 1.00 0.00 C ATOM 635 C ALA A 167 -8.580 -1.462 -1.256 1.00 0.00 C ATOM 636 O ALA A 167 -9.670 -0.979 -0.951 1.00 0.00 O ATOM 637 CB ALA A 167 -6.588 0.078 -1.161 1.00 0.00 C ATOM 0 H ALA A 167 -5.468 -2.019 -0.642 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.642 -0.743 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.261 0.929 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -5.732 0.363 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.242 -0.230 -2.148 1.00 0.00 H new ATOM 643 N GLU A 168 -8.438 -2.365 -2.217 1.00 0.00 N ATOM 644 CA GLU A 168 -9.590 -2.833 -2.964 1.00 0.00 C ATOM 645 C GLU A 168 -10.375 -3.839 -2.126 1.00 0.00 C ATOM 646 O GLU A 168 -11.604 -3.867 -2.159 1.00 0.00 O ATOM 647 CB GLU A 168 -9.174 -3.440 -4.311 1.00 0.00 C ATOM 648 CG GLU A 168 -8.560 -4.831 -4.213 1.00 0.00 C ATOM 649 CD GLU A 168 -8.609 -5.580 -5.530 1.00 0.00 C ATOM 650 OE1 GLU A 168 -7.936 -5.143 -6.487 1.00 0.00 O ATOM 651 OE2 GLU A 168 -9.320 -6.604 -5.604 1.00 0.00 O ATOM 0 H GLU A 168 -7.548 -2.781 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.232 -1.980 -3.181 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.049 -3.487 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.457 -2.773 -4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.524 -4.745 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.088 -5.405 -3.452 1.00 0.00 H new ATOM 658 N GLU A 169 -9.648 -4.659 -1.367 1.00 0.00 N ATOM 659 CA GLU A 169 -10.266 -5.663 -0.511 1.00 0.00 C ATOM 660 C GLU A 169 -10.899 -5.013 0.723 1.00 0.00 C ATOM 661 O GLU A 169 -12.001 -5.373 1.136 1.00 0.00 O ATOM 662 CB GLU A 169 -9.219 -6.707 -0.099 1.00 0.00 C ATOM 663 CG GLU A 169 -8.867 -6.697 1.380 1.00 0.00 C ATOM 664 CD GLU A 169 -7.852 -7.761 1.747 1.00 0.00 C ATOM 665 OE1 GLU A 169 -7.054 -8.149 0.868 1.00 0.00 O ATOM 666 OE2 GLU A 169 -7.854 -8.207 2.914 1.00 0.00 O ATOM 0 H GLU A 169 -8.629 -4.645 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 169 -11.060 -6.160 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -9.588 -7.698 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -8.310 -6.539 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -8.473 -5.717 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -9.774 -6.848 1.966 1.00 0.00 H new ATOM 673 N THR A 170 -10.180 -4.059 1.305 1.00 0.00 N ATOM 674 CA THR A 170 -10.638 -3.347 2.495 1.00 0.00 C ATOM 675 C THR A 170 -12.025 -2.754 2.276 1.00 0.00 C ATOM 676 O THR A 170 -12.939 -2.976 3.069 1.00 0.00 O ATOM 677 CB THR A 170 -9.652 -2.230 2.869 1.00 0.00 C ATOM 678 OG1 THR A 170 -9.896 -1.068 2.096 1.00 0.00 O ATOM 679 CG2 THR A 170 -8.192 -2.600 2.685 1.00 0.00 C ATOM 0 H THR A 170 -9.266 -3.757 0.967 1.00 0.00 H new ATOM 0 HA THR A 170 -10.690 -4.066 3.313 1.00 0.00 H new ATOM 0 HB THR A 170 -9.825 -2.054 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 170 -9.656 -1.240 1.162 1.00 0.00 H new ATOM 0 HG21 THR A 170 -7.564 -1.756 2.971 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.953 -3.460 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.009 -2.850 1.640 1.00 0.00 H new ATOM 687 N ALA A 171 -12.179 -2.005 1.188 1.00 0.00 N ATOM 688 CA ALA A 171 -13.457 -1.389 0.860 1.00 0.00 C ATOM 689 C ALA A 171 -14.438 -2.437 0.350 1.00 0.00 C ATOM 690 O ALA A 171 -15.651 -2.307 0.515 1.00 0.00 O ATOM 691 CB ALA A 171 -13.268 -0.289 -0.174 1.00 0.00 C ATOM 0 H ALA A 171 -11.433 -1.811 0.520 1.00 0.00 H new ATOM 0 HA ALA A 171 -13.868 -0.944 1.766 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -14.233 0.161 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -12.599 0.474 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -12.836 -0.712 -1.081 1.00 0.00 H new ATOM 697 N LYS A 172 -13.896 -3.482 -0.267 1.00 0.00 N ATOM 698 CA LYS A 172 -14.708 -4.567 -0.801 1.00 0.00 C ATOM 699 C LYS A 172 -15.493 -5.249 0.315 1.00 0.00 C ATOM 700 O LYS A 172 -16.614 -5.716 0.105 1.00 0.00 O ATOM 701 CB LYS A 172 -13.812 -5.584 -1.509 1.00 0.00 C ATOM 702 CG LYS A 172 -13.803 -5.439 -3.023 1.00 0.00 C ATOM 703 CD LYS A 172 -15.184 -5.679 -3.614 1.00 0.00 C ATOM 704 CE LYS A 172 -15.106 -6.021 -5.093 1.00 0.00 C ATOM 705 NZ LYS A 172 -16.355 -6.667 -5.579 1.00 0.00 N ATOM 0 H LYS A 172 -12.893 -3.599 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.417 -4.153 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.793 -5.479 -1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -14.144 -6.590 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -13.460 -4.440 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -13.094 -6.146 -3.453 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -15.674 -6.491 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -15.799 -4.789 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -14.920 -5.113 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -14.261 -6.687 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -16.262 -6.885 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -16.519 -7.547 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -17.158 -6.022 -5.436 1.00 0.00 H new ATOM 719 N ALA A 173 -14.895 -5.303 1.500 1.00 0.00 N ATOM 720 CA ALA A 173 -15.531 -5.926 2.653 1.00 0.00 C ATOM 721 C ALA A 173 -16.689 -5.078 3.168 1.00 0.00 C ATOM 722 O ALA A 173 -16.481 -4.017 3.754 1.00 0.00 O ATOM 723 CB ALA A 173 -14.507 -6.155 3.755 1.00 0.00 C ATOM 0 H ALA A 173 -13.968 -4.921 1.687 1.00 0.00 H new ATOM 0 HA ALA A 173 -15.936 -6.889 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -14.993 -6.621 4.612 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.716 -6.808 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.077 -5.200 4.057 1.00 0.00 H new ATOM 729 N THR A 174 -17.911 -5.554 2.943 1.00 0.00 N ATOM 730 CA THR A 174 -19.107 -4.842 3.383 1.00 0.00 C ATOM 731 C THR A 174 -19.103 -3.399 2.883 1.00 0.00 C ATOM 732 O THR A 174 -18.780 -2.474 3.628 1.00 0.00 O ATOM 733 CB THR A 174 -19.210 -4.865 4.910 1.00 0.00 C ATOM 734 OG1 THR A 174 -18.245 -4.008 5.493 1.00 0.00 O ATOM 735 CG2 THR A 174 -19.015 -6.244 5.502 1.00 0.00 C ATOM 0 H THR A 174 -18.099 -6.431 2.458 1.00 0.00 H new ATOM 0 HA THR A 174 -19.974 -5.350 2.959 1.00 0.00 H new ATOM 0 HB THR A 174 -20.222 -4.529 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 174 -17.809 -3.481 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 174 -19.100 -6.189 6.587 1.00 0.00 H new ATOM 0 HG22 THR A 174 -19.777 -6.919 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 174 -18.027 -6.619 5.234 1.00 0.00 H new ATOM 743 N ALA A 175 -19.461 -3.217 1.617 1.00 0.00 N ATOM 744 CA ALA A 175 -19.497 -1.888 1.017 1.00 0.00 C ATOM 745 C ALA A 175 -20.696 -1.092 1.520 1.00 0.00 C ATOM 746 O ALA A 175 -20.486 -0.110 2.262 1.00 0.00 O ATOM 747 CB ALA A 175 -19.529 -1.994 -0.500 1.00 0.00 C ATOM 748 OXT ALA A 175 -21.838 -1.458 1.167 1.00 0.00 O ATOM 0 H ALA A 175 -19.730 -3.972 0.986 1.00 0.00 H new ATOM 0 HA ALA A 175 -18.592 -1.358 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -19.556 -0.995 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -18.638 -2.517 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -20.417 -2.547 -0.807 1.00 0.00 H new TER 754 ALA A 175