USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=7 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= -0.0467 USER MOD Single : A 132 MET CE :methyl -163:sc= -0.359 (180deg=-1.05) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 86:sc= 0.539 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 54:sc= 1.14 USER MOD Single : A 159 THR OG1 : rot -89:sc= -0.417 USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot -102:sc= 0.628 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 THR OG1 : rot -91:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 125 14.563 -4.078 16.783 1.00 0.00 N ATOM 2 CA GLY A 125 13.217 -4.514 17.249 1.00 0.00 C ATOM 3 C GLY A 125 12.093 -3.833 16.493 1.00 0.00 C ATOM 4 O GLY A 125 11.160 -4.490 16.032 1.00 0.00 O ATOM 0 HA2 GLY A 125 13.128 -5.594 17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 125 13.117 -4.300 18.313 1.00 0.00 H new ATOM 10 N SER A 126 12.181 -2.513 16.367 1.00 0.00 N ATOM 11 CA SER A 126 11.162 -1.743 15.663 1.00 0.00 C ATOM 12 C SER A 126 11.048 -2.193 14.210 1.00 0.00 C ATOM 13 O SER A 126 10.027 -2.743 13.798 1.00 0.00 O ATOM 14 CB SER A 126 11.491 -0.250 15.723 1.00 0.00 C ATOM 15 OG SER A 126 12.744 0.022 15.122 1.00 0.00 O ATOM 0 H SER A 126 12.947 -1.954 16.743 1.00 0.00 H new ATOM 0 HA SER A 126 10.205 -1.917 16.154 1.00 0.00 H new ATOM 0 HB2 SER A 126 10.711 0.318 15.216 1.00 0.00 H new ATOM 0 HB3 SER A 126 11.503 0.081 16.761 1.00 0.00 H new ATOM 0 HG SER A 126 12.929 0.983 15.172 1.00 0.00 H new ATOM 21 N ARG A 127 12.103 -1.955 13.437 1.00 0.00 N ATOM 22 CA ARG A 127 12.121 -2.336 12.030 1.00 0.00 C ATOM 23 C ARG A 127 11.002 -1.640 11.263 1.00 0.00 C ATOM 24 O ARG A 127 9.852 -2.078 11.291 1.00 0.00 O ATOM 25 CB ARG A 127 11.984 -3.853 11.890 1.00 0.00 C ATOM 26 CG ARG A 127 12.767 -4.429 10.719 1.00 0.00 C ATOM 27 CD ARG A 127 13.692 -5.552 11.163 1.00 0.00 C ATOM 28 NE ARG A 127 14.263 -6.273 10.027 1.00 0.00 N ATOM 29 CZ ARG A 127 15.270 -7.136 10.129 1.00 0.00 C ATOM 30 NH1 ARG A 127 15.821 -7.390 11.310 1.00 0.00 N ATOM 31 NH2 ARG A 127 15.729 -7.749 9.046 1.00 0.00 N ATOM 0 H ARG A 127 12.956 -1.500 13.762 1.00 0.00 H new ATOM 0 HA ARG A 127 13.076 -2.023 11.607 1.00 0.00 H new ATOM 0 HB2 ARG A 127 12.323 -4.327 12.811 1.00 0.00 H new ATOM 0 HB3 ARG A 127 10.930 -4.105 11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.074 -4.804 9.966 1.00 0.00 H new ATOM 0 HG3 ARG A 127 13.352 -3.639 10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 127 14.496 -5.140 11.772 1.00 0.00 H new ATOM 0 HD3 ARG A 127 13.140 -6.249 11.794 1.00 0.00 H new ATOM 0 HE ARG A 127 13.866 -6.105 9.103 1.00 0.00 H new ATOM 0 HH11 ARG A 127 15.472 -6.922 12.147 1.00 0.00 H new ATOM 0 HH12 ARG A 127 16.593 -8.053 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 127 15.310 -7.558 8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 127 16.501 -8.411 9.123 1.00 0.00 H new ATOM 45 N GLU A 128 11.346 -0.554 10.580 1.00 0.00 N ATOM 46 CA GLU A 128 10.370 0.204 9.805 1.00 0.00 C ATOM 47 C GLU A 128 10.187 -0.403 8.418 1.00 0.00 C ATOM 48 O GLU A 128 11.058 -1.118 7.922 1.00 0.00 O ATOM 49 CB GLU A 128 10.807 1.665 9.681 1.00 0.00 C ATOM 50 CG GLU A 128 9.655 2.654 9.764 1.00 0.00 C ATOM 51 CD GLU A 128 9.234 2.940 11.192 1.00 0.00 C ATOM 52 OE1 GLU A 128 10.008 3.601 11.917 1.00 0.00 O ATOM 53 OE2 GLU A 128 8.132 2.504 11.585 1.00 0.00 O ATOM 0 H GLU A 128 12.294 -0.178 10.547 1.00 0.00 H new ATOM 0 HA GLU A 128 9.416 0.161 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 128 11.525 1.889 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.324 1.801 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 128 9.946 3.587 9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 128 8.803 2.261 9.210 1.00 0.00 H new ATOM 60 N VAL A 129 9.049 -0.113 7.798 1.00 0.00 N ATOM 61 CA VAL A 129 8.749 -0.628 6.469 1.00 0.00 C ATOM 62 C VAL A 129 8.816 0.480 5.428 1.00 0.00 C ATOM 63 O VAL A 129 8.546 1.643 5.729 1.00 0.00 O ATOM 64 CB VAL A 129 7.347 -1.267 6.411 1.00 0.00 C ATOM 65 CG1 VAL A 129 7.250 -2.234 5.242 1.00 0.00 C ATOM 66 CG2 VAL A 129 7.011 -1.967 7.722 1.00 0.00 C ATOM 0 H VAL A 129 8.318 0.477 8.196 1.00 0.00 H new ATOM 0 HA VAL A 129 9.500 -1.388 6.252 1.00 0.00 H new ATOM 0 HB VAL A 129 6.617 -0.472 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.254 -2.675 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.433 -1.698 4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 129 7.993 -3.022 5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 129 6.017 -2.409 7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 129 7.744 -2.750 7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 129 7.031 -1.243 8.537 1.00 0.00 H new ATOM 76 N ALA A 130 9.168 0.118 4.200 1.00 0.00 N ATOM 77 CA ALA A 130 9.255 1.093 3.122 1.00 0.00 C ATOM 78 C ALA A 130 7.902 1.277 2.450 1.00 0.00 C ATOM 79 O ALA A 130 7.030 0.413 2.538 1.00 0.00 O ATOM 80 CB ALA A 130 10.295 0.669 2.096 1.00 0.00 C ATOM 0 H ALA A 130 9.396 -0.838 3.928 1.00 0.00 H new ATOM 0 HA ALA A 130 9.560 2.046 3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 130 10.344 1.411 1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.270 0.589 2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 130 10.018 -0.297 1.675 1.00 0.00 H new ATOM 86 N ALA A 131 7.736 2.404 1.773 1.00 0.00 N ATOM 87 CA ALA A 131 6.494 2.699 1.077 1.00 0.00 C ATOM 88 C ALA A 131 6.727 3.680 -0.064 1.00 0.00 C ATOM 89 O ALA A 131 6.763 4.891 0.149 1.00 0.00 O ATOM 90 CB ALA A 131 5.461 3.250 2.048 1.00 0.00 C ATOM 0 H ALA A 131 8.448 3.130 1.691 1.00 0.00 H new ATOM 0 HA ALA A 131 6.115 1.770 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 131 4.537 3.466 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 131 5.265 2.514 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.840 4.166 2.501 1.00 0.00 H new ATOM 96 N MET A 132 6.889 3.156 -1.279 1.00 0.00 N ATOM 97 CA MET A 132 7.117 4.007 -2.445 1.00 0.00 C ATOM 98 C MET A 132 6.107 5.159 -2.477 1.00 0.00 C ATOM 99 O MET A 132 5.131 5.153 -1.727 1.00 0.00 O ATOM 100 CB MET A 132 7.048 3.185 -3.736 1.00 0.00 C ATOM 101 CG MET A 132 5.801 2.324 -3.863 1.00 0.00 C ATOM 102 SD MET A 132 5.818 1.302 -5.350 1.00 0.00 S ATOM 103 CE MET A 132 6.430 2.469 -6.563 1.00 0.00 C ATOM 0 H MET A 132 6.867 2.156 -1.480 1.00 0.00 H new ATOM 0 HA MET A 132 8.117 4.434 -2.369 1.00 0.00 H new ATOM 0 HB2 MET A 132 7.095 3.863 -4.588 1.00 0.00 H new ATOM 0 HB3 MET A 132 7.927 2.542 -3.791 1.00 0.00 H new ATOM 0 HG2 MET A 132 5.715 1.683 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.920 2.966 -3.877 1.00 0.00 H new ATOM 0 HE1 MET A 132 6.216 2.098 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 132 5.940 3.432 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.507 2.588 -6.442 1.00 0.00 H new ATOM 113 N PRO A 133 6.334 6.171 -3.334 1.00 0.00 N ATOM 114 CA PRO A 133 5.447 7.338 -3.438 1.00 0.00 C ATOM 115 C PRO A 133 4.059 6.980 -3.954 1.00 0.00 C ATOM 116 O PRO A 133 3.049 7.410 -3.396 1.00 0.00 O ATOM 117 CB PRO A 133 6.164 8.257 -4.440 1.00 0.00 C ATOM 118 CG PRO A 133 7.563 7.744 -4.512 1.00 0.00 C ATOM 119 CD PRO A 133 7.473 6.269 -4.257 1.00 0.00 C ATOM 0 HA PRO A 133 5.278 7.795 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 133 5.682 8.225 -5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 133 6.142 9.295 -4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 133 8.003 7.945 -5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 133 8.196 8.231 -3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 133 7.299 5.709 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 133 8.389 5.878 -3.814 1.00 0.00 H new ATOM 127 N ALA A 134 4.017 6.198 -5.022 1.00 0.00 N ATOM 128 CA ALA A 134 2.753 5.786 -5.620 1.00 0.00 C ATOM 129 C ALA A 134 1.835 5.129 -4.590 1.00 0.00 C ATOM 130 O ALA A 134 0.673 5.513 -4.444 1.00 0.00 O ATOM 131 CB ALA A 134 3.020 4.838 -6.780 1.00 0.00 C ATOM 0 H ALA A 134 4.845 5.834 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 134 2.243 6.675 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.073 4.532 -7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 134 3.627 5.344 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 134 3.551 3.958 -6.416 1.00 0.00 H new ATOM 137 N ALA A 135 2.367 4.139 -3.882 1.00 0.00 N ATOM 138 CA ALA A 135 1.602 3.423 -2.869 1.00 0.00 C ATOM 139 C ALA A 135 1.304 4.311 -1.668 1.00 0.00 C ATOM 140 O ALA A 135 0.256 4.186 -1.035 1.00 0.00 O ATOM 141 CB ALA A 135 2.347 2.171 -2.440 1.00 0.00 C ATOM 0 H ALA A 135 3.327 3.814 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 135 0.647 3.132 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.767 1.644 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.494 1.521 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.316 2.448 -2.026 1.00 0.00 H new ATOM 147 N ARG A 136 2.227 5.213 -1.366 1.00 0.00 N ATOM 148 CA ARG A 136 2.058 6.130 -0.247 1.00 0.00 C ATOM 149 C ARG A 136 0.955 7.132 -0.546 1.00 0.00 C ATOM 150 O ARG A 136 0.058 7.356 0.267 1.00 0.00 O ATOM 151 CB ARG A 136 3.364 6.868 0.024 1.00 0.00 C ATOM 152 CG ARG A 136 4.132 6.309 1.206 1.00 0.00 C ATOM 153 CD ARG A 136 4.931 7.389 1.918 1.00 0.00 C ATOM 154 NE ARG A 136 4.798 7.299 3.370 1.00 0.00 N ATOM 155 CZ ARG A 136 3.674 7.569 4.030 1.00 0.00 C ATOM 156 NH1 ARG A 136 2.585 7.952 3.372 1.00 0.00 N ATOM 157 NH2 ARG A 136 3.638 7.457 5.351 1.00 0.00 N ATOM 0 H ARG A 136 3.100 5.330 -1.880 1.00 0.00 H new ATOM 0 HA ARG A 136 1.781 5.554 0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.993 6.819 -0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.148 7.921 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 136 3.436 5.849 1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 136 4.806 5.524 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 136 5.982 7.302 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 136 4.594 8.370 1.583 1.00 0.00 H new ATOM 0 HE ARG A 136 5.615 7.012 3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 136 2.608 8.040 2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 136 1.726 8.158 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.471 7.164 5.861 1.00 0.00 H new ATOM 0 HH22 ARG A 136 2.777 7.664 5.857 1.00 0.00 H new ATOM 171 N ARG A 137 1.036 7.728 -1.726 1.00 0.00 N ATOM 172 CA ARG A 137 0.054 8.713 -2.161 1.00 0.00 C ATOM 173 C ARG A 137 -1.349 8.124 -2.143 1.00 0.00 C ATOM 174 O ARG A 137 -2.257 8.677 -1.521 1.00 0.00 O ATOM 175 CB ARG A 137 0.385 9.206 -3.568 1.00 0.00 C ATOM 176 CG ARG A 137 -0.523 10.326 -4.048 1.00 0.00 C ATOM 177 CD ARG A 137 -0.008 10.948 -5.337 1.00 0.00 C ATOM 178 NE ARG A 137 0.195 9.951 -6.385 1.00 0.00 N ATOM 179 CZ ARG A 137 0.947 10.153 -7.464 1.00 0.00 C ATOM 180 NH1 ARG A 137 1.570 11.312 -7.640 1.00 0.00 N ATOM 181 NH2 ARG A 137 1.079 9.194 -8.370 1.00 0.00 N ATOM 0 H ARG A 137 1.776 7.546 -2.404 1.00 0.00 H new ATOM 0 HA ARG A 137 0.090 9.553 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 137 1.418 9.553 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 137 0.315 8.369 -4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -1.529 9.937 -4.207 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -0.596 11.093 -3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -0.717 11.700 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 137 0.932 11.463 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 137 -0.267 9.047 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 137 1.474 12.053 -6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 137 2.145 11.461 -8.469 1.00 0.00 H new ATOM 0 HH21 ARG A 137 0.604 8.301 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 137 1.656 9.349 -9.197 1.00 0.00 H new ATOM 195 N LEU A 138 -1.521 6.998 -2.827 1.00 0.00 N ATOM 196 CA LEU A 138 -2.808 6.338 -2.887 1.00 0.00 C ATOM 197 C LEU A 138 -3.237 5.880 -1.499 1.00 0.00 C ATOM 198 O LEU A 138 -4.400 5.999 -1.134 1.00 0.00 O ATOM 199 CB LEU A 138 -2.734 5.150 -3.839 1.00 0.00 C ATOM 200 CG LEU A 138 -1.832 4.014 -3.382 1.00 0.00 C ATOM 201 CD1 LEU A 138 -2.573 3.101 -2.425 1.00 0.00 C ATOM 202 CD2 LEU A 138 -1.326 3.236 -4.581 1.00 0.00 C ATOM 0 H LEU A 138 -0.780 6.527 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 138 -3.550 7.044 -3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -3.740 4.758 -3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -2.385 5.503 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.976 4.436 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.913 2.294 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -2.894 3.671 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.446 2.681 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -0.681 2.425 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -2.172 2.822 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.761 3.901 -5.234 1.00 0.00 H new ATOM 214 N ALA A 139 -2.289 5.355 -0.728 1.00 0.00 N ATOM 215 CA ALA A 139 -2.581 4.885 0.622 1.00 0.00 C ATOM 216 C ALA A 139 -3.158 6.011 1.470 1.00 0.00 C ATOM 217 O ALA A 139 -4.045 5.791 2.296 1.00 0.00 O ATOM 218 CB ALA A 139 -1.324 4.322 1.268 1.00 0.00 C ATOM 0 H ALA A 139 -1.316 5.245 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 139 -3.325 4.091 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -1.556 3.975 2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -0.952 3.488 0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.562 5.099 1.319 1.00 0.00 H new ATOM 224 N LYS A 140 -2.650 7.220 1.253 1.00 0.00 N ATOM 225 CA LYS A 140 -3.113 8.391 1.988 1.00 0.00 C ATOM 226 C LYS A 140 -4.455 8.874 1.447 1.00 0.00 C ATOM 227 O LYS A 140 -5.276 9.413 2.188 1.00 0.00 O ATOM 228 CB LYS A 140 -2.080 9.516 1.899 1.00 0.00 C ATOM 229 CG LYS A 140 -1.997 10.366 3.156 1.00 0.00 C ATOM 230 CD LYS A 140 -0.680 11.122 3.232 1.00 0.00 C ATOM 231 CE LYS A 140 -0.749 12.439 2.474 1.00 0.00 C ATOM 232 NZ LYS A 140 -1.319 13.533 3.309 1.00 0.00 N ATOM 0 H LYS A 140 -1.916 7.414 0.572 1.00 0.00 H new ATOM 0 HA LYS A 140 -3.242 8.108 3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.100 9.083 1.698 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.325 10.157 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.826 11.074 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -2.104 9.730 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -0.429 11.314 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.119 10.505 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 140 0.251 12.719 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -1.358 12.311 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -1.349 14.413 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -2.283 13.278 3.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -0.724 13.673 4.150 1.00 0.00 H new ATOM 246 N GLU A 141 -4.671 8.677 0.149 1.00 0.00 N ATOM 247 CA GLU A 141 -5.917 9.092 -0.491 1.00 0.00 C ATOM 248 C GLU A 141 -7.014 8.051 -0.275 1.00 0.00 C ATOM 249 O GLU A 141 -8.203 8.357 -0.370 1.00 0.00 O ATOM 250 CB GLU A 141 -5.689 9.321 -1.989 1.00 0.00 C ATOM 251 CG GLU A 141 -6.957 9.658 -2.757 1.00 0.00 C ATOM 252 CD GLU A 141 -6.725 10.694 -3.839 1.00 0.00 C ATOM 253 OE1 GLU A 141 -6.017 11.687 -3.568 1.00 0.00 O ATOM 254 OE2 GLU A 141 -7.250 10.512 -4.957 1.00 0.00 O ATOM 0 H GLU A 141 -4.001 8.234 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 141 -6.242 10.027 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -4.971 10.131 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -5.241 8.426 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.356 8.750 -3.208 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -7.711 10.027 -2.062 1.00 0.00 H new ATOM 261 N LEU A 142 -6.604 6.821 0.015 1.00 0.00 N ATOM 262 CA LEU A 142 -7.534 5.726 0.246 1.00 0.00 C ATOM 263 C LEU A 142 -7.828 5.577 1.734 1.00 0.00 C ATOM 264 O LEU A 142 -8.902 5.121 2.124 1.00 0.00 O ATOM 265 CB LEU A 142 -6.940 4.424 -0.291 1.00 0.00 C ATOM 266 CG LEU A 142 -7.052 4.229 -1.807 1.00 0.00 C ATOM 267 CD1 LEU A 142 -5.750 3.680 -2.373 1.00 0.00 C ATOM 268 CD2 LEU A 142 -8.211 3.303 -2.138 1.00 0.00 C ATOM 0 H LEU A 142 -5.622 6.557 0.096 1.00 0.00 H new ATOM 0 HA LEU A 142 -8.466 5.946 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.887 4.382 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -7.434 3.588 0.204 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.243 5.199 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -5.849 3.548 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -4.940 4.379 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -5.528 2.719 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.277 3.175 -3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -8.048 2.334 -1.667 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -9.140 3.736 -1.766 1.00 0.00 H new ATOM 280 N GLY A 143 -6.859 5.959 2.560 1.00 0.00 N ATOM 281 CA GLY A 143 -7.022 5.853 3.996 1.00 0.00 C ATOM 282 C GLY A 143 -6.759 4.450 4.494 1.00 0.00 C ATOM 283 O GLY A 143 -7.501 3.927 5.327 1.00 0.00 O ATOM 0 H GLY A 143 -5.962 6.341 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -6.342 6.547 4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.034 6.151 4.269 1.00 0.00 H new ATOM 287 N ILE A 144 -5.703 3.838 3.975 1.00 0.00 N ATOM 288 CA ILE A 144 -5.336 2.483 4.359 1.00 0.00 C ATOM 289 C ILE A 144 -3.946 2.450 4.990 1.00 0.00 C ATOM 290 O ILE A 144 -2.984 2.964 4.418 1.00 0.00 O ATOM 291 CB ILE A 144 -5.385 1.537 3.138 1.00 0.00 C ATOM 292 CG1 ILE A 144 -5.665 0.098 3.585 1.00 0.00 C ATOM 293 CG2 ILE A 144 -4.096 1.624 2.327 1.00 0.00 C ATOM 294 CD1 ILE A 144 -4.425 -0.699 3.929 1.00 0.00 C ATOM 0 H ILE A 144 -5.084 4.261 3.284 1.00 0.00 H new ATOM 0 HA ILE A 144 -6.059 2.140 5.099 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.202 1.855 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -6.321 0.121 4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -6.206 -0.418 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -4.157 0.949 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -3.958 2.645 1.972 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -3.251 1.340 2.955 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -4.712 -1.705 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -3.776 -0.757 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -3.893 -0.210 4.745 1.00 0.00 H new ATOM 306 N ASP A 145 -3.846 1.846 6.168 1.00 0.00 N ATOM 307 CA ASP A 145 -2.571 1.752 6.869 1.00 0.00 C ATOM 308 C ASP A 145 -1.545 1.006 6.022 1.00 0.00 C ATOM 309 O ASP A 145 -1.562 -0.223 5.951 1.00 0.00 O ATOM 310 CB ASP A 145 -2.755 1.041 8.211 1.00 0.00 C ATOM 311 CG ASP A 145 -2.034 1.746 9.343 1.00 0.00 C ATOM 312 OD1 ASP A 145 -2.363 2.919 9.618 1.00 0.00 O ATOM 313 OD2 ASP A 145 -1.141 1.124 9.956 1.00 0.00 O ATOM 0 H ASP A 145 -4.630 1.415 6.657 1.00 0.00 H new ATOM 0 HA ASP A 145 -2.205 2.763 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -3.818 0.980 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -2.387 0.018 8.131 1.00 0.00 H new ATOM 318 N ALA A 146 -0.653 1.754 5.380 1.00 0.00 N ATOM 319 CA ALA A 146 0.376 1.156 4.538 1.00 0.00 C ATOM 320 C ALA A 146 1.223 0.166 5.330 1.00 0.00 C ATOM 321 O ALA A 146 1.562 -0.909 4.835 1.00 0.00 O ATOM 322 CB ALA A 146 1.253 2.233 3.920 1.00 0.00 C ATOM 0 H ALA A 146 -0.622 2.772 5.427 1.00 0.00 H new ATOM 0 HA ALA A 146 -0.120 0.610 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 146 2.015 1.767 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.639 2.896 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.734 2.808 4.711 1.00 0.00 H new ATOM 328 N SER A 147 1.555 0.525 6.568 1.00 0.00 N ATOM 329 CA SER A 147 2.354 -0.348 7.423 1.00 0.00 C ATOM 330 C SER A 147 1.689 -1.710 7.548 1.00 0.00 C ATOM 331 O SER A 147 2.323 -2.742 7.328 1.00 0.00 O ATOM 332 CB SER A 147 2.548 0.279 8.806 1.00 0.00 C ATOM 333 OG SER A 147 1.654 1.360 9.007 1.00 0.00 O ATOM 0 H SER A 147 1.285 1.409 6.999 1.00 0.00 H new ATOM 0 HA SER A 147 3.335 -0.476 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 147 2.389 -0.476 9.576 1.00 0.00 H new ATOM 0 HB3 SER A 147 3.575 0.629 8.909 1.00 0.00 H new ATOM 0 HG SER A 147 0.797 1.019 9.337 1.00 0.00 H new ATOM 339 N LYS A 148 0.400 -1.708 7.876 1.00 0.00 N ATOM 340 CA LYS A 148 -0.346 -2.952 7.993 1.00 0.00 C ATOM 341 C LYS A 148 -0.256 -3.723 6.678 1.00 0.00 C ATOM 342 O LYS A 148 -0.309 -4.953 6.656 1.00 0.00 O ATOM 343 CB LYS A 148 -1.804 -2.667 8.386 1.00 0.00 C ATOM 344 CG LYS A 148 -2.797 -2.759 7.240 1.00 0.00 C ATOM 345 CD LYS A 148 -3.246 -4.193 7.031 1.00 0.00 C ATOM 346 CE LYS A 148 -4.558 -4.478 7.747 1.00 0.00 C ATOM 347 NZ LYS A 148 -4.378 -5.423 8.883 1.00 0.00 N ATOM 0 H LYS A 148 -0.144 -0.866 8.064 1.00 0.00 H new ATOM 0 HA LYS A 148 0.088 -3.567 8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.101 -3.370 9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -1.861 -1.669 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -3.662 -2.129 7.450 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -2.341 -2.379 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -3.363 -4.387 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -2.476 -4.873 7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -4.980 -3.543 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -5.275 -4.894 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -5.295 -5.591 9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -3.999 -6.324 8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -3.714 -5.015 9.572 1.00 0.00 H new ATOM 361 N VAL A 149 -0.089 -2.980 5.584 1.00 0.00 N ATOM 362 CA VAL A 149 0.047 -3.572 4.262 1.00 0.00 C ATOM 363 C VAL A 149 1.495 -4.000 4.031 1.00 0.00 C ATOM 364 O VAL A 149 2.291 -3.248 3.472 1.00 0.00 O ATOM 365 CB VAL A 149 -0.381 -2.577 3.160 1.00 0.00 C ATOM 366 CG1 VAL A 149 0.018 -3.075 1.777 1.00 0.00 C ATOM 367 CG2 VAL A 149 -1.878 -2.324 3.226 1.00 0.00 C ATOM 0 H VAL A 149 -0.045 -1.961 5.593 1.00 0.00 H new ATOM 0 HA VAL A 149 -0.606 -4.443 4.212 1.00 0.00 H new ATOM 0 HB VAL A 149 0.141 -1.636 3.337 1.00 0.00 H new ATOM 0 HG11 VAL A 149 -0.298 -2.352 1.025 1.00 0.00 H new ATOM 0 HG12 VAL A 149 1.100 -3.196 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 149 -0.463 -4.034 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 149 -2.163 -1.621 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 149 -2.412 -3.263 3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 149 -2.134 -1.906 4.200 1.00 0.00 H new ATOM 377 N LYS A 150 1.828 -5.205 4.478 1.00 0.00 N ATOM 378 CA LYS A 150 3.179 -5.737 4.336 1.00 0.00 C ATOM 379 C LYS A 150 3.673 -5.618 2.896 1.00 0.00 C ATOM 380 O LYS A 150 3.436 -6.499 2.070 1.00 0.00 O ATOM 381 CB LYS A 150 3.204 -7.201 4.785 1.00 0.00 C ATOM 382 CG LYS A 150 4.508 -7.926 4.493 1.00 0.00 C ATOM 383 CD LYS A 150 4.299 -9.430 4.458 1.00 0.00 C ATOM 384 CE LYS A 150 4.966 -10.117 5.639 1.00 0.00 C ATOM 385 NZ LYS A 150 4.648 -11.571 5.688 1.00 0.00 N ATOM 0 H LYS A 150 1.177 -5.836 4.945 1.00 0.00 H new ATOM 0 HA LYS A 150 3.848 -5.151 4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 150 3.012 -7.243 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.389 -7.733 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 150 4.910 -7.589 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 150 5.246 -7.676 5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 150 3.231 -9.649 4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 150 4.701 -9.832 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 150 6.046 -9.984 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 150 4.641 -9.643 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 5.122 -12.003 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 3.620 -11.699 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 4.980 -12.029 4.815 1.00 0.00 H new ATOM 399 N GLY A 151 4.363 -4.518 2.608 1.00 0.00 N ATOM 400 CA GLY A 151 4.884 -4.295 1.275 1.00 0.00 C ATOM 401 C GLY A 151 5.967 -5.282 0.891 1.00 0.00 C ATOM 402 O GLY A 151 6.792 -5.664 1.722 1.00 0.00 O ATOM 0 H GLY A 151 4.570 -3.777 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 151 4.068 -4.362 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 151 5.283 -3.283 1.211 1.00 0.00 H new ATOM 406 N THR A 152 5.965 -5.695 -0.371 1.00 0.00 N ATOM 407 CA THR A 152 6.957 -6.642 -0.870 1.00 0.00 C ATOM 408 C THR A 152 7.796 -6.017 -1.987 1.00 0.00 C ATOM 409 O THR A 152 8.511 -6.718 -2.705 1.00 0.00 O ATOM 410 CB THR A 152 6.272 -7.929 -1.365 1.00 0.00 C ATOM 411 OG1 THR A 152 6.554 -8.169 -2.734 1.00 0.00 O ATOM 412 CG2 THR A 152 4.765 -7.911 -1.209 1.00 0.00 C ATOM 0 H THR A 152 5.287 -5.389 -1.069 1.00 0.00 H new ATOM 0 HA THR A 152 7.625 -6.899 -0.048 1.00 0.00 H new ATOM 0 HB THR A 152 6.681 -8.719 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 152 7.524 -8.162 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 152 4.350 -8.849 -1.578 1.00 0.00 H new ATOM 0 HG22 THR A 152 4.510 -7.790 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 152 4.350 -7.081 -1.780 1.00 0.00 H new ATOM 420 N GLY A 153 7.704 -4.698 -2.129 1.00 0.00 N ATOM 421 CA GLY A 153 8.458 -4.011 -3.160 1.00 0.00 C ATOM 422 C GLY A 153 9.942 -3.934 -2.851 1.00 0.00 C ATOM 423 O GLY A 153 10.340 -4.008 -1.688 1.00 0.00 O ATOM 0 H GLY A 153 7.121 -4.094 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 153 8.316 -4.525 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 153 8.064 -3.002 -3.281 1.00 0.00 H new ATOM 427 N PRO A 154 10.793 -3.780 -3.885 1.00 0.00 N ATOM 428 CA PRO A 154 12.248 -3.694 -3.721 1.00 0.00 C ATOM 429 C PRO A 154 12.662 -2.797 -2.561 1.00 0.00 C ATOM 430 O PRO A 154 12.624 -1.571 -2.666 1.00 0.00 O ATOM 431 CB PRO A 154 12.708 -3.101 -5.050 1.00 0.00 C ATOM 432 CG PRO A 154 11.707 -3.588 -6.038 1.00 0.00 C ATOM 433 CD PRO A 154 10.394 -3.670 -5.302 1.00 0.00 C ATOM 0 HA PRO A 154 12.690 -4.663 -3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 154 12.732 -2.012 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 154 13.714 -3.433 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 154 11.635 -2.908 -6.887 1.00 0.00 H new ATOM 0 HG3 PRO A 154 11.993 -4.563 -6.434 1.00 0.00 H new ATOM 0 HD2 PRO A 154 9.781 -2.786 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 154 9.809 -4.533 -5.621 1.00 0.00 H new ATOM 441 N GLY A 155 13.057 -3.418 -1.456 1.00 0.00 N ATOM 442 CA GLY A 155 13.472 -2.665 -0.288 1.00 0.00 C ATOM 443 C GLY A 155 12.373 -2.568 0.751 1.00 0.00 C ATOM 444 O GLY A 155 12.368 -1.655 1.575 1.00 0.00 O ATOM 0 H GLY A 155 13.097 -4.431 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 155 14.348 -3.139 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 155 13.772 -1.662 -0.592 1.00 0.00 H new ATOM 448 N GLY A 156 11.438 -3.513 0.707 1.00 0.00 N ATOM 449 CA GLY A 156 10.340 -3.512 1.653 1.00 0.00 C ATOM 450 C GLY A 156 9.346 -2.400 1.390 1.00 0.00 C ATOM 451 O GLY A 156 8.613 -1.995 2.293 1.00 0.00 O ATOM 0 H GLY A 156 11.423 -4.278 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 156 9.826 -4.472 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 156 10.736 -3.409 2.663 1.00 0.00 H new ATOM 455 N VAL A 157 9.320 -1.893 0.159 1.00 0.00 N ATOM 456 CA VAL A 157 8.404 -0.813 -0.183 1.00 0.00 C ATOM 457 C VAL A 157 7.042 -1.364 -0.582 1.00 0.00 C ATOM 458 O VAL A 157 6.943 -2.201 -1.479 1.00 0.00 O ATOM 459 CB VAL A 157 8.949 0.092 -1.327 1.00 0.00 C ATOM 460 CG1 VAL A 157 10.436 -0.109 -1.545 1.00 0.00 C ATOM 461 CG2 VAL A 157 8.201 -0.132 -2.639 1.00 0.00 C ATOM 0 H VAL A 157 9.915 -2.209 -0.607 1.00 0.00 H new ATOM 0 HA VAL A 157 8.305 -0.199 0.712 1.00 0.00 H new ATOM 0 HB VAL A 157 8.781 1.120 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 157 10.777 0.541 -2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 157 10.974 0.136 -0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 157 10.627 -1.149 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.614 0.520 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 157 8.310 -1.172 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 157 7.144 0.096 -2.499 1.00 0.00 H new ATOM 471 N ILE A 158 5.990 -0.876 0.062 1.00 0.00 N ATOM 472 CA ILE A 158 4.651 -1.320 -0.279 1.00 0.00 C ATOM 473 C ILE A 158 4.343 -0.889 -1.703 1.00 0.00 C ATOM 474 O ILE A 158 4.253 0.299 -2.003 1.00 0.00 O ATOM 475 CB ILE A 158 3.585 -0.776 0.694 1.00 0.00 C ATOM 476 CG1 ILE A 158 3.524 0.750 0.662 1.00 0.00 C ATOM 477 CG2 ILE A 158 3.872 -1.257 2.108 1.00 0.00 C ATOM 478 CD1 ILE A 158 2.215 1.294 1.182 1.00 0.00 C ATOM 0 H ILE A 158 6.038 -0.185 0.810 1.00 0.00 H new ATOM 0 HA ILE A 158 4.618 -2.406 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 158 2.615 -1.157 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 158 4.343 1.154 1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 158 3.674 1.094 -0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 158 3.113 -0.867 2.786 1.00 0.00 H new ATOM 0 HG22 ILE A 158 3.855 -2.347 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 158 4.854 -0.903 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 158 2.229 2.383 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 158 1.395 0.915 0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 158 2.074 0.977 2.215 1.00 0.00 H new ATOM 490 N THR A 159 4.233 -1.861 -2.592 1.00 0.00 N ATOM 491 CA THR A 159 3.987 -1.565 -3.992 1.00 0.00 C ATOM 492 C THR A 159 2.546 -1.154 -4.231 1.00 0.00 C ATOM 493 O THR A 159 1.649 -1.474 -3.450 1.00 0.00 O ATOM 494 CB THR A 159 4.370 -2.758 -4.861 1.00 0.00 C ATOM 495 OG1 THR A 159 3.676 -3.924 -4.455 1.00 0.00 O ATOM 496 CG2 THR A 159 5.854 -3.060 -4.817 1.00 0.00 C ATOM 0 H THR A 159 4.309 -2.854 -2.372 1.00 0.00 H new ATOM 0 HA THR A 159 4.613 -0.718 -4.272 1.00 0.00 H new ATOM 0 HB THR A 159 4.096 -2.482 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 159 4.191 -4.386 -3.761 1.00 0.00 H new ATOM 0 HG21 THR A 159 6.070 -3.918 -5.453 1.00 0.00 H new ATOM 0 HG22 THR A 159 6.412 -2.194 -5.174 1.00 0.00 H new ATOM 0 HG23 THR A 159 6.149 -3.285 -3.792 1.00 0.00 H new ATOM 504 N VAL A 160 2.332 -0.423 -5.312 1.00 0.00 N ATOM 505 CA VAL A 160 1.002 0.054 -5.656 1.00 0.00 C ATOM 506 C VAL A 160 0.008 -1.095 -5.722 1.00 0.00 C ATOM 507 O VAL A 160 -1.112 -0.994 -5.225 1.00 0.00 O ATOM 508 CB VAL A 160 0.976 0.813 -6.999 1.00 0.00 C ATOM 509 CG1 VAL A 160 0.060 2.003 -6.872 1.00 0.00 C ATOM 510 CG2 VAL A 160 2.368 1.261 -7.426 1.00 0.00 C ATOM 0 H VAL A 160 3.063 -0.146 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 160 0.716 0.746 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 160 0.607 0.137 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 160 0.035 2.546 -7.817 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -0.945 1.663 -6.622 1.00 0.00 H new ATOM 0 HG13 VAL A 160 0.426 2.662 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 160 2.304 1.791 -8.376 1.00 0.00 H new ATOM 0 HG22 VAL A 160 2.785 1.924 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 160 3.012 0.389 -7.540 1.00 0.00 H new ATOM 520 N GLU A 161 0.438 -2.191 -6.324 1.00 0.00 N ATOM 521 CA GLU A 161 -0.400 -3.373 -6.445 1.00 0.00 C ATOM 522 C GLU A 161 -0.707 -3.937 -5.066 1.00 0.00 C ATOM 523 O GLU A 161 -1.745 -4.566 -4.854 1.00 0.00 O ATOM 524 CB GLU A 161 0.293 -4.434 -7.303 1.00 0.00 C ATOM 525 CG GLU A 161 -0.575 -5.648 -7.589 1.00 0.00 C ATOM 526 CD GLU A 161 0.232 -6.923 -7.727 1.00 0.00 C ATOM 527 OE1 GLU A 161 1.110 -6.977 -8.614 1.00 0.00 O ATOM 528 OE2 GLU A 161 -0.014 -7.869 -6.948 1.00 0.00 O ATOM 0 H GLU A 161 1.365 -2.287 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.334 -3.089 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 161 0.596 -3.984 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 161 1.203 -4.759 -6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -1.302 -5.768 -6.785 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.139 -5.479 -8.506 1.00 0.00 H new ATOM 535 N ASP A 162 0.204 -3.696 -4.128 1.00 0.00 N ATOM 536 CA ASP A 162 0.039 -4.170 -2.761 1.00 0.00 C ATOM 537 C ASP A 162 -1.076 -3.404 -2.062 1.00 0.00 C ATOM 538 O ASP A 162 -1.945 -3.997 -1.422 1.00 0.00 O ATOM 539 CB ASP A 162 1.344 -4.011 -1.977 1.00 0.00 C ATOM 540 CG ASP A 162 2.387 -5.045 -2.350 1.00 0.00 C ATOM 541 OD1 ASP A 162 2.005 -6.118 -2.861 1.00 0.00 O ATOM 542 OD2 ASP A 162 3.590 -4.778 -2.129 1.00 0.00 O ATOM 0 H ASP A 162 1.065 -3.174 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.226 -5.227 -2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 162 1.749 -3.014 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 162 1.132 -4.085 -0.910 1.00 0.00 H new ATOM 547 N VAL A 163 -1.044 -2.083 -2.188 1.00 0.00 N ATOM 548 CA VAL A 163 -2.057 -1.238 -1.564 1.00 0.00 C ATOM 549 C VAL A 163 -3.386 -1.351 -2.304 1.00 0.00 C ATOM 550 O VAL A 163 -4.448 -1.379 -1.688 1.00 0.00 O ATOM 551 CB VAL A 163 -1.660 0.257 -1.513 1.00 0.00 C ATOM 552 CG1 VAL A 163 -1.957 0.842 -0.140 1.00 0.00 C ATOM 553 CG2 VAL A 163 -0.200 0.484 -1.887 1.00 0.00 C ATOM 0 H VAL A 163 -0.332 -1.575 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 163 -2.149 -1.602 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 163 -2.265 0.774 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 163 -1.671 1.894 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 163 -3.023 0.752 0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 163 -1.390 0.300 0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 163 0.027 1.549 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 163 0.442 -0.058 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 163 -0.024 0.124 -2.901 1.00 0.00 H new ATOM 563 N LYS A 164 -3.321 -1.404 -3.632 1.00 0.00 N ATOM 564 CA LYS A 164 -4.524 -1.503 -4.449 1.00 0.00 C ATOM 565 C LYS A 164 -5.315 -2.762 -4.111 1.00 0.00 C ATOM 566 O LYS A 164 -6.526 -2.708 -3.897 1.00 0.00 O ATOM 567 CB LYS A 164 -4.154 -1.470 -5.940 1.00 0.00 C ATOM 568 CG LYS A 164 -4.296 -2.806 -6.649 1.00 0.00 C ATOM 569 CD LYS A 164 -3.947 -2.697 -8.124 1.00 0.00 C ATOM 570 CE LYS A 164 -4.144 -4.021 -8.842 1.00 0.00 C ATOM 571 NZ LYS A 164 -5.462 -4.088 -9.532 1.00 0.00 N ATOM 0 H LYS A 164 -2.450 -1.380 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 164 -5.161 -0.646 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -4.784 -0.736 -6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -3.124 -1.127 -6.039 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.646 -3.541 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -5.319 -3.168 -6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -4.569 -1.933 -8.591 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -2.911 -2.374 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -3.345 -4.161 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -4.068 -4.838 -8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -5.557 -5.007 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -6.225 -3.980 -8.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -5.525 -3.324 -10.235 1.00 0.00 H new ATOM 585 N ARG A 165 -4.625 -3.894 -4.076 1.00 0.00 N ATOM 586 CA ARG A 165 -5.265 -5.169 -3.777 1.00 0.00 C ATOM 587 C ARG A 165 -5.706 -5.246 -2.317 1.00 0.00 C ATOM 588 O ARG A 165 -6.787 -5.752 -2.013 1.00 0.00 O ATOM 589 CB ARG A 165 -4.318 -6.325 -4.103 1.00 0.00 C ATOM 590 CG ARG A 165 -3.055 -6.347 -3.258 1.00 0.00 C ATOM 591 CD ARG A 165 -3.189 -7.294 -2.077 1.00 0.00 C ATOM 592 NE ARG A 165 -1.895 -7.830 -1.660 1.00 0.00 N ATOM 593 CZ ARG A 165 -1.748 -8.948 -0.952 1.00 0.00 C ATOM 594 NH1 ARG A 165 -2.810 -9.649 -0.575 1.00 0.00 N ATOM 595 NH2 ARG A 165 -0.533 -9.364 -0.620 1.00 0.00 N ATOM 0 H ARG A 165 -3.622 -3.956 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.156 -5.248 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -4.850 -7.266 -3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -4.038 -6.266 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -2.209 -6.651 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -2.841 -5.341 -2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -3.651 -6.769 -1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -3.854 -8.116 -2.344 1.00 0.00 H new ATOM 0 HE ARG A 165 -1.055 -7.317 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -3.746 -9.332 -0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -2.690 -10.505 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 165 0.286 -8.828 -0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -0.418 -10.220 -0.078 1.00 0.00 H new ATOM 609 N TRP A 166 -4.865 -4.749 -1.415 1.00 0.00 N ATOM 610 CA TRP A 166 -5.179 -4.776 0.009 1.00 0.00 C ATOM 611 C TRP A 166 -6.352 -3.856 0.340 1.00 0.00 C ATOM 612 O TRP A 166 -7.287 -4.255 1.033 1.00 0.00 O ATOM 613 CB TRP A 166 -3.955 -4.375 0.833 1.00 0.00 C ATOM 614 CG TRP A 166 -3.974 -4.933 2.221 1.00 0.00 C ATOM 615 CD1 TRP A 166 -4.923 -4.715 3.178 1.00 0.00 C ATOM 616 CD2 TRP A 166 -3.002 -5.805 2.810 1.00 0.00 C ATOM 617 NE1 TRP A 166 -4.604 -5.400 4.323 1.00 0.00 N ATOM 618 CE2 TRP A 166 -3.427 -6.075 4.124 1.00 0.00 C ATOM 619 CE3 TRP A 166 -1.814 -6.382 2.354 1.00 0.00 C ATOM 620 CZ2 TRP A 166 -2.706 -6.898 4.985 1.00 0.00 C ATOM 621 CZ3 TRP A 166 -1.099 -7.200 3.210 1.00 0.00 C ATOM 622 CH2 TRP A 166 -1.548 -7.451 4.512 1.00 0.00 C ATOM 0 H TRP A 166 -3.966 -4.325 -1.643 1.00 0.00 H new ATOM 0 HA TRP A 166 -5.465 -5.796 0.264 1.00 0.00 H new ATOM 0 HB2 TRP A 166 -3.054 -4.715 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 166 -3.900 -3.288 0.886 1.00 0.00 H new ATOM 0 HD1 TRP A 166 -5.797 -4.094 3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 166 -5.153 -5.406 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 166 -1.460 -6.193 1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 -3.049 -7.093 5.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 -0.180 -7.652 2.868 1.00 0.00 H new ATOM 0 HH2 TRP A 166 -0.968 -8.095 5.156 1.00 0.00 H new ATOM 633 N ALA A 167 -6.293 -2.623 -0.151 1.00 0.00 N ATOM 634 CA ALA A 167 -7.347 -1.650 0.102 1.00 0.00 C ATOM 635 C ALA A 167 -8.645 -2.043 -0.595 1.00 0.00 C ATOM 636 O ALA A 167 -9.717 -2.001 0.005 1.00 0.00 O ATOM 637 CB ALA A 167 -6.903 -0.264 -0.340 1.00 0.00 C ATOM 0 H ALA A 167 -5.526 -2.275 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 167 -7.538 -1.633 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -7.701 0.453 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -6.011 0.026 0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -6.679 -0.277 -1.407 1.00 0.00 H new ATOM 643 N GLU A 168 -8.545 -2.428 -1.866 1.00 0.00 N ATOM 644 CA GLU A 168 -9.721 -2.826 -2.630 1.00 0.00 C ATOM 645 C GLU A 168 -10.426 -4.002 -1.962 1.00 0.00 C ATOM 646 O GLU A 168 -11.653 -4.042 -1.886 1.00 0.00 O ATOM 647 CB GLU A 168 -9.335 -3.185 -4.069 1.00 0.00 C ATOM 648 CG GLU A 168 -8.647 -4.534 -4.206 1.00 0.00 C ATOM 649 CD GLU A 168 -8.252 -4.844 -5.637 1.00 0.00 C ATOM 650 OE1 GLU A 168 -7.273 -4.241 -6.126 1.00 0.00 O ATOM 651 OE2 GLU A 168 -8.920 -5.689 -6.268 1.00 0.00 O ATOM 0 H GLU A 168 -7.667 -2.472 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 168 -10.409 -1.981 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -10.233 -3.182 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -8.676 -2.411 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -7.758 -4.550 -3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -9.312 -5.316 -3.839 1.00 0.00 H new ATOM 658 N GLU A 169 -9.638 -4.955 -1.475 1.00 0.00 N ATOM 659 CA GLU A 169 -10.182 -6.133 -0.805 1.00 0.00 C ATOM 660 C GLU A 169 -11.162 -5.734 0.296 1.00 0.00 C ATOM 661 O GLU A 169 -12.071 -6.492 0.637 1.00 0.00 O ATOM 662 CB GLU A 169 -9.049 -6.975 -0.215 1.00 0.00 C ATOM 663 CG GLU A 169 -8.597 -8.108 -1.122 1.00 0.00 C ATOM 664 CD GLU A 169 -7.910 -9.225 -0.362 1.00 0.00 C ATOM 665 OE1 GLU A 169 -8.620 -10.086 0.199 1.00 0.00 O ATOM 666 OE2 GLU A 169 -6.662 -9.239 -0.328 1.00 0.00 O ATOM 0 H GLU A 169 -8.620 -4.935 -1.531 1.00 0.00 H new ATOM 0 HA GLU A 169 -10.721 -6.725 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -8.198 -6.327 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -9.375 -7.392 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -9.460 -8.511 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.916 -7.715 -1.877 1.00 0.00 H new ATOM 673 N THR A 170 -10.971 -4.539 0.847 1.00 0.00 N ATOM 674 CA THR A 170 -11.832 -4.035 1.908 1.00 0.00 C ATOM 675 C THR A 170 -13.198 -3.650 1.353 1.00 0.00 C ATOM 676 O THR A 170 -14.231 -4.095 1.856 1.00 0.00 O ATOM 677 CB THR A 170 -11.181 -2.827 2.580 1.00 0.00 C ATOM 678 OG1 THR A 170 -11.381 -1.655 1.810 1.00 0.00 O ATOM 679 CG2 THR A 170 -9.691 -2.987 2.794 1.00 0.00 C ATOM 0 H THR A 170 -10.224 -3.901 0.574 1.00 0.00 H new ATOM 0 HA THR A 170 -11.969 -4.824 2.647 1.00 0.00 H new ATOM 0 HB THR A 170 -11.663 -2.747 3.554 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.563 -1.448 1.311 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.294 -2.093 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 170 -9.506 -3.853 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.199 -3.130 1.832 1.00 0.00 H new ATOM 687 N ALA A 171 -13.196 -2.830 0.308 1.00 0.00 N ATOM 688 CA ALA A 171 -14.436 -2.396 -0.323 1.00 0.00 C ATOM 689 C ALA A 171 -15.005 -3.499 -1.212 1.00 0.00 C ATOM 690 O ALA A 171 -16.180 -3.474 -1.575 1.00 0.00 O ATOM 691 CB ALA A 171 -14.203 -1.128 -1.132 1.00 0.00 C ATOM 0 H ALA A 171 -12.350 -2.453 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 171 -15.162 -2.181 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 171 -15.138 -0.816 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 171 -13.844 -0.337 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 171 -13.460 -1.321 -1.906 1.00 0.00 H new ATOM 697 N LYS A 172 -14.158 -4.466 -1.555 1.00 0.00 N ATOM 698 CA LYS A 172 -14.566 -5.583 -2.398 1.00 0.00 C ATOM 699 C LYS A 172 -15.375 -6.597 -1.596 1.00 0.00 C ATOM 700 O LYS A 172 -16.267 -7.256 -2.129 1.00 0.00 O ATOM 701 CB LYS A 172 -13.333 -6.257 -3.002 1.00 0.00 C ATOM 702 CG LYS A 172 -13.636 -7.085 -4.239 1.00 0.00 C ATOM 703 CD LYS A 172 -12.423 -7.888 -4.683 1.00 0.00 C ATOM 704 CE LYS A 172 -12.749 -8.777 -5.873 1.00 0.00 C ATOM 705 NZ LYS A 172 -12.099 -10.113 -5.762 1.00 0.00 N ATOM 0 H LYS A 172 -13.182 -4.497 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 172 -15.195 -5.199 -3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 172 -12.600 -5.492 -3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 172 -12.875 -6.898 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 172 -14.465 -7.761 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 172 -13.955 -6.428 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 172 -11.612 -7.209 -4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -12.069 -8.502 -3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -13.829 -8.904 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -12.422 -8.289 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -12.346 -10.689 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -11.067 -9.994 -5.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -12.430 -10.590 -4.899 1.00 0.00 H new ATOM 719 N ALA A 173 -15.053 -6.718 -0.312 1.00 0.00 N ATOM 720 CA ALA A 173 -15.745 -7.652 0.567 1.00 0.00 C ATOM 721 C ALA A 173 -16.931 -6.983 1.255 1.00 0.00 C ATOM 722 O ALA A 173 -17.040 -6.994 2.481 1.00 0.00 O ATOM 723 CB ALA A 173 -14.780 -8.214 1.600 1.00 0.00 C ATOM 0 H ALA A 173 -14.316 -6.180 0.143 1.00 0.00 H new ATOM 0 HA ALA A 173 -16.128 -8.471 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.309 -8.910 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -13.968 -8.736 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -14.371 -7.399 2.197 1.00 0.00 H new ATOM 729 N THR A 174 -17.820 -6.400 0.456 1.00 0.00 N ATOM 730 CA THR A 174 -18.999 -5.727 0.988 1.00 0.00 C ATOM 731 C THR A 174 -20.267 -6.229 0.305 1.00 0.00 C ATOM 732 O THR A 174 -20.262 -6.540 -0.886 1.00 0.00 O ATOM 733 CB THR A 174 -18.874 -4.213 0.806 1.00 0.00 C ATOM 734 OG1 THR A 174 -18.361 -3.904 -0.478 1.00 0.00 O ATOM 735 CG2 THR A 174 -17.973 -3.558 1.831 1.00 0.00 C ATOM 0 H THR A 174 -17.746 -6.380 -0.561 1.00 0.00 H new ATOM 0 HA THR A 174 -19.066 -5.954 2.052 1.00 0.00 H new ATOM 0 HB THR A 174 -19.884 -3.822 0.933 1.00 0.00 H new ATOM 0 HG1 THR A 174 -17.383 -3.851 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 174 -17.929 -2.485 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 174 -18.369 -3.736 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 174 -16.971 -3.981 1.757 1.00 0.00 H new ATOM 743 N ALA A 175 -21.353 -6.304 1.068 1.00 0.00 N ATOM 744 CA ALA A 175 -22.630 -6.768 0.536 1.00 0.00 C ATOM 745 C ALA A 175 -23.192 -5.780 -0.481 1.00 0.00 C ATOM 746 O ALA A 175 -23.829 -4.793 -0.056 1.00 0.00 O ATOM 747 CB ALA A 175 -23.624 -6.987 1.666 1.00 0.00 C ATOM 748 OXT ALA A 175 -22.991 -6.001 -1.693 1.00 0.00 O ATOM 0 H ALA A 175 -21.375 -6.050 2.056 1.00 0.00 H new ATOM 0 HA ALA A 175 -22.460 -7.717 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 175 -24.572 -7.333 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 175 -23.233 -7.736 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 175 -23.781 -6.050 2.200 1.00 0.00 H new TER 754 ALA A 175