USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 325 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 132 SER OG : rot 180:sc= -1.04 USER MOD Single : A 142 HIS : no HE2:sc= -6.25! C(o=-6.2!,f=-8.3!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot -52:sc= 1.08 USER MOD Single : A 159 THR OG1 : rot -37:sc= 0.0167! USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 159:sc= -0.0182 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -6.798 5.595 -4.335 1.00 0.00 N ATOM 61 CA ALA A 130 -7.025 4.502 -3.399 1.00 0.00 C ATOM 62 C ALA A 130 -5.978 4.501 -2.291 1.00 0.00 C ATOM 63 O ALA A 130 -6.251 4.091 -1.163 1.00 0.00 O ATOM 64 CB ALA A 130 -7.022 3.170 -4.131 1.00 0.00 C ATOM 0 HA ALA A 130 -8.002 4.649 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -7.193 2.363 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.813 3.165 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -6.058 3.025 -4.619 1.00 0.00 H new ATOM 70 N LEU A 131 -4.775 4.961 -2.621 1.00 0.00 N ATOM 71 CA LEU A 131 -3.685 5.012 -1.654 1.00 0.00 C ATOM 72 C LEU A 131 -3.806 6.242 -0.760 1.00 0.00 C ATOM 73 O LEU A 131 -4.660 7.101 -0.981 1.00 0.00 O ATOM 74 CB LEU A 131 -2.337 5.023 -2.378 1.00 0.00 C ATOM 75 CG LEU A 131 -1.808 3.645 -2.779 1.00 0.00 C ATOM 76 CD1 LEU A 131 -2.218 3.311 -4.205 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.295 3.591 -2.631 1.00 0.00 C ATOM 0 H LEU A 131 -4.531 5.303 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.747 4.123 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.428 5.636 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.600 5.506 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.245 2.901 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -1.833 2.327 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -3.305 3.308 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.810 4.058 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.064 2.603 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.161 4.345 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.024 3.786 -1.593 1.00 0.00 H new ATOM 89 N SER A 132 -2.945 6.321 0.250 1.00 0.00 N ATOM 90 CA SER A 132 -2.955 7.446 1.178 1.00 0.00 C ATOM 91 C SER A 132 -1.625 8.194 1.142 1.00 0.00 C ATOM 92 O SER A 132 -0.598 7.634 0.757 1.00 0.00 O ATOM 93 CB SER A 132 -3.241 6.958 2.600 1.00 0.00 C ATOM 94 OG SER A 132 -4.067 7.874 3.297 1.00 0.00 O ATOM 0 H SER A 132 -2.232 5.619 0.446 1.00 0.00 H new ATOM 0 HA SER A 132 -3.745 8.132 0.870 1.00 0.00 H new ATOM 0 HB2 SER A 132 -3.726 5.982 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.302 6.827 3.139 1.00 0.00 H new ATOM 0 HG SER A 132 -4.236 7.539 4.202 1.00 0.00 H new ATOM 100 N PRO A 133 -1.626 9.477 1.546 1.00 0.00 N ATOM 101 CA PRO A 133 -0.413 10.302 1.558 1.00 0.00 C ATOM 102 C PRO A 133 0.731 9.638 2.318 1.00 0.00 C ATOM 103 O PRO A 133 1.828 9.471 1.786 1.00 0.00 O ATOM 104 CB PRO A 133 -0.858 11.580 2.273 1.00 0.00 C ATOM 105 CG PRO A 133 -2.329 11.647 2.051 1.00 0.00 C ATOM 106 CD PRO A 133 -2.807 10.222 2.019 1.00 0.00 C ATOM 0 HA PRO A 133 -0.027 10.473 0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.620 11.542 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -0.356 12.457 1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -2.819 12.205 2.848 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.560 12.157 1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.128 9.883 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.656 10.098 1.347 1.00 0.00 H new ATOM 114 N ALA A 134 0.467 9.262 3.565 1.00 0.00 N ATOM 115 CA ALA A 134 1.474 8.616 4.398 1.00 0.00 C ATOM 116 C ALA A 134 1.954 7.314 3.766 1.00 0.00 C ATOM 117 O ALA A 134 3.155 7.034 3.722 1.00 0.00 O ATOM 118 CB ALA A 134 0.919 8.357 5.790 1.00 0.00 C ATOM 0 H ALA A 134 -0.436 9.394 4.021 1.00 0.00 H new ATOM 0 HA ALA A 134 2.329 9.287 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.681 7.874 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.631 9.303 6.249 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.046 7.708 5.719 1.00 0.00 H new ATOM 124 N ILE A 135 1.011 6.516 3.273 1.00 0.00 N ATOM 125 CA ILE A 135 1.353 5.248 2.646 1.00 0.00 C ATOM 126 C ILE A 135 2.322 5.456 1.493 1.00 0.00 C ATOM 127 O ILE A 135 3.298 4.726 1.366 1.00 0.00 O ATOM 128 CB ILE A 135 0.109 4.503 2.126 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.885 4.268 3.266 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.517 3.180 1.483 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.117 3.497 2.846 1.00 0.00 C ATOM 0 H ILE A 135 0.013 6.724 3.296 1.00 0.00 H new ATOM 0 HA ILE A 135 1.823 4.639 3.418 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.378 5.117 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.384 3.726 4.068 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.191 5.231 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.371 2.663 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.191 3.374 0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.023 2.557 2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.776 3.368 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.642 4.047 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.822 2.519 2.465 1.00 0.00 H new ATOM 143 N ARG A 136 2.057 6.454 0.656 1.00 0.00 N ATOM 144 CA ARG A 136 2.931 6.732 -0.480 1.00 0.00 C ATOM 145 C ARG A 136 4.378 6.810 -0.017 1.00 0.00 C ATOM 146 O ARG A 136 5.292 6.369 -0.714 1.00 0.00 O ATOM 147 CB ARG A 136 2.523 8.036 -1.170 1.00 0.00 C ATOM 148 CG ARG A 136 1.391 7.864 -2.172 1.00 0.00 C ATOM 149 CD ARG A 136 1.726 8.505 -3.509 1.00 0.00 C ATOM 150 NE ARG A 136 1.215 7.723 -4.634 1.00 0.00 N ATOM 151 CZ ARG A 136 1.652 7.849 -5.884 1.00 0.00 C ATOM 152 NH1 ARG A 136 2.607 8.723 -6.175 1.00 0.00 N ATOM 153 NH2 ARG A 136 1.134 7.098 -6.846 1.00 0.00 N ATOM 0 H ARG A 136 1.254 7.078 0.740 1.00 0.00 H new ATOM 0 HA ARG A 136 2.833 5.920 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.221 8.759 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.390 8.454 -1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.190 6.802 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.480 8.309 -1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.305 9.510 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.807 8.609 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 136 0.480 7.040 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 136 3.010 9.302 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.938 8.815 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.400 6.424 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 136 1.469 7.195 -7.805 1.00 0.00 H new ATOM 167 N ARG A 137 4.573 7.340 1.183 1.00 0.00 N ATOM 168 CA ARG A 137 5.901 7.436 1.762 1.00 0.00 C ATOM 169 C ARG A 137 6.369 6.044 2.158 1.00 0.00 C ATOM 170 O ARG A 137 7.526 5.678 1.956 1.00 0.00 O ATOM 171 CB ARG A 137 5.888 8.354 2.984 1.00 0.00 C ATOM 172 CG ARG A 137 5.456 9.777 2.671 1.00 0.00 C ATOM 173 CD ARG A 137 6.140 10.780 3.588 1.00 0.00 C ATOM 174 NE ARG A 137 6.047 12.144 3.072 1.00 0.00 N ATOM 175 CZ ARG A 137 6.805 13.152 3.501 1.00 0.00 C ATOM 176 NH1 ARG A 137 7.711 12.953 4.451 1.00 0.00 N ATOM 177 NH2 ARG A 137 6.659 14.360 2.976 1.00 0.00 N ATOM 0 H ARG A 137 3.827 7.709 1.772 1.00 0.00 H new ATOM 0 HA ARG A 137 6.585 7.859 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.217 7.936 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 137 6.885 8.374 3.424 1.00 0.00 H new ATOM 0 HG2 ARG A 137 5.693 10.011 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 137 4.375 9.862 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 137 5.686 10.735 4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.189 10.507 3.706 1.00 0.00 H new ATOM 0 HE ARG A 137 5.362 12.335 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.829 12.025 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 137 8.289 13.729 4.775 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.967 14.518 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 137 7.239 15.132 3.304 1.00 0.00 H new ATOM 191 N LEU A 138 5.441 5.270 2.714 1.00 0.00 N ATOM 192 CA LEU A 138 5.732 3.905 3.137 1.00 0.00 C ATOM 193 C LEU A 138 6.148 3.041 1.946 1.00 0.00 C ATOM 194 O LEU A 138 7.202 2.406 1.971 1.00 0.00 O ATOM 195 CB LEU A 138 4.510 3.288 3.821 1.00 0.00 C ATOM 196 CG LEU A 138 4.681 1.833 4.257 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.478 1.752 5.549 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.325 1.162 4.422 1.00 0.00 C ATOM 0 H LEU A 138 4.480 5.566 2.882 1.00 0.00 H new ATOM 0 HA LEU A 138 6.559 3.942 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.261 3.887 4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.661 3.350 3.140 1.00 0.00 H new ATOM 0 HG LEU A 138 5.233 1.305 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 138 5.589 0.708 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.463 2.193 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 138 4.954 2.297 6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.467 0.127 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 138 2.746 1.692 5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.789 1.186 3.473 1.00 0.00 H new ATOM 210 N LEU A 139 5.324 3.027 0.901 1.00 0.00 N ATOM 211 CA LEU A 139 5.623 2.246 -0.291 1.00 0.00 C ATOM 212 C LEU A 139 6.913 2.741 -0.925 1.00 0.00 C ATOM 213 O LEU A 139 7.714 1.955 -1.433 1.00 0.00 O ATOM 214 CB LEU A 139 4.472 2.339 -1.295 1.00 0.00 C ATOM 215 CG LEU A 139 3.276 1.433 -0.994 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.970 2.153 -1.291 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.370 0.143 -1.796 1.00 0.00 C ATOM 0 H LEU A 139 4.447 3.547 0.858 1.00 0.00 H new ATOM 0 HA LEU A 139 5.746 1.202 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 139 4.126 3.372 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.854 2.094 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 139 3.294 1.182 0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 139 1.132 1.492 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.899 3.048 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.942 2.436 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.512 -0.489 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.378 0.376 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.288 -0.383 -1.533 1.00 0.00 H new ATOM 229 N ALA A 140 7.109 4.052 -0.879 1.00 0.00 N ATOM 230 CA ALA A 140 8.308 4.661 -1.434 1.00 0.00 C ATOM 231 C ALA A 140 9.541 4.224 -0.651 1.00 0.00 C ATOM 232 O ALA A 140 10.624 4.061 -1.213 1.00 0.00 O ATOM 233 CB ALA A 140 8.185 6.178 -1.427 1.00 0.00 C ATOM 0 H ALA A 140 6.453 4.713 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 140 8.418 4.327 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 140 9.090 6.618 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.325 6.476 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 140 8.051 6.527 -0.403 1.00 0.00 H new ATOM 239 N GLU A 141 9.363 4.031 0.653 1.00 0.00 N ATOM 240 CA GLU A 141 10.449 3.608 1.522 1.00 0.00 C ATOM 241 C GLU A 141 10.719 2.116 1.362 1.00 0.00 C ATOM 242 O GLU A 141 11.868 1.688 1.263 1.00 0.00 O ATOM 243 CB GLU A 141 10.117 3.922 2.982 1.00 0.00 C ATOM 244 CG GLU A 141 9.968 5.408 3.267 1.00 0.00 C ATOM 245 CD GLU A 141 10.990 5.918 4.263 1.00 0.00 C ATOM 246 OE1 GLU A 141 12.151 6.144 3.860 1.00 0.00 O ATOM 247 OE2 GLU A 141 10.630 6.093 5.447 1.00 0.00 O ATOM 0 H GLU A 141 8.471 4.163 1.130 1.00 0.00 H new ATOM 0 HA GLU A 141 11.346 4.158 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.191 3.414 3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.902 3.515 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 141 10.066 5.964 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.966 5.602 3.650 1.00 0.00 H new ATOM 254 N HIS A 142 9.647 1.335 1.338 1.00 0.00 N ATOM 255 CA HIS A 142 9.754 -0.111 1.189 1.00 0.00 C ATOM 256 C HIS A 142 10.280 -0.488 -0.196 1.00 0.00 C ATOM 257 O HIS A 142 10.672 -1.631 -0.429 1.00 0.00 O ATOM 258 CB HIS A 142 8.393 -0.770 1.425 1.00 0.00 C ATOM 259 CG HIS A 142 8.050 -0.937 2.874 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.262 -2.109 3.568 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.502 -0.071 3.760 1.00 0.00 C ATOM 262 CE1 HIS A 142 7.859 -1.958 4.817 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.395 -0.731 4.961 1.00 0.00 N ATOM 0 H HIS A 142 8.690 1.680 1.420 1.00 0.00 H new ATOM 0 HA HIS A 142 10.463 -0.472 1.934 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.620 -0.170 0.944 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.384 -1.748 0.943 1.00 0.00 H new ATOM 0 HD1 HIS A 142 8.667 -2.960 3.178 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.205 0.948 3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 142 7.902 -2.711 5.590 1.00 0.00 H new ATOM 272 N ASN A 143 10.287 0.478 -1.113 1.00 0.00 N ATOM 273 CA ASN A 143 10.765 0.243 -2.473 1.00 0.00 C ATOM 274 C ASN A 143 9.804 -0.665 -3.234 1.00 0.00 C ATOM 275 O ASN A 143 10.224 -1.561 -3.967 1.00 0.00 O ATOM 276 CB ASN A 143 12.170 -0.368 -2.449 1.00 0.00 C ATOM 277 CG ASN A 143 13.228 0.592 -2.959 1.00 0.00 C ATOM 278 OD1 ASN A 143 13.619 1.528 -2.263 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.694 0.362 -4.180 1.00 0.00 N ATOM 0 H ASN A 143 9.967 1.431 -0.938 1.00 0.00 H new ATOM 0 HA ASN A 143 10.811 1.202 -2.989 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.416 -0.667 -1.430 1.00 0.00 H new ATOM 0 HB3 ASN A 143 12.180 -1.272 -3.058 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.406 0.974 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.340 -0.427 -4.721 1.00 0.00 H new ATOM 286 N LEU A 144 8.509 -0.423 -3.057 1.00 0.00 N ATOM 287 CA LEU A 144 7.484 -1.216 -3.727 1.00 0.00 C ATOM 288 C LEU A 144 6.745 -0.384 -4.769 1.00 0.00 C ATOM 289 O LEU A 144 7.023 0.802 -4.946 1.00 0.00 O ATOM 290 CB LEU A 144 6.489 -1.774 -2.710 1.00 0.00 C ATOM 291 CG LEU A 144 7.109 -2.273 -1.406 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.025 -2.595 -0.388 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.982 -3.492 -1.663 1.00 0.00 C ATOM 0 H LEU A 144 8.144 0.316 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 144 7.980 -2.045 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.760 -0.999 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.942 -2.596 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 144 7.737 -1.481 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.486 -2.949 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.442 -1.698 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.370 -3.370 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.415 -3.834 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.376 -4.289 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.781 -3.228 -2.356 1.00 0.00 H new ATOM 305 N ASP A 145 5.800 -1.017 -5.451 1.00 0.00 N ATOM 306 CA ASP A 145 5.012 -0.344 -6.477 1.00 0.00 C ATOM 307 C ASP A 145 3.521 -0.460 -6.179 1.00 0.00 C ATOM 308 O ASP A 145 2.964 -1.557 -6.172 1.00 0.00 O ATOM 309 CB ASP A 145 5.317 -0.936 -7.854 1.00 0.00 C ATOM 310 CG ASP A 145 5.154 0.078 -8.970 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.078 0.706 -9.049 1.00 0.00 O ATOM 312 OD2 ASP A 145 6.104 0.242 -9.764 1.00 0.00 O ATOM 0 H ASP A 145 5.559 -1.998 -5.312 1.00 0.00 H new ATOM 0 HA ASP A 145 5.284 0.712 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 145 6.337 -1.321 -7.863 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.655 -1.783 -8.037 1.00 0.00 H new ATOM 317 N ALA A 146 2.880 0.679 -5.931 1.00 0.00 N ATOM 318 CA ALA A 146 1.452 0.706 -5.630 1.00 0.00 C ATOM 319 C ALA A 146 0.653 -0.080 -6.664 1.00 0.00 C ATOM 320 O ALA A 146 -0.260 -0.830 -6.318 1.00 0.00 O ATOM 321 CB ALA A 146 0.958 2.143 -5.558 1.00 0.00 C ATOM 0 H ALA A 146 3.327 1.596 -5.933 1.00 0.00 H new ATOM 0 HA ALA A 146 1.302 0.230 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.108 2.150 -5.333 1.00 0.00 H new ATOM 0 HB2 ALA A 146 1.498 2.675 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 146 1.130 2.635 -6.515 1.00 0.00 H new ATOM 327 N SER A 147 1.003 0.095 -7.933 1.00 0.00 N ATOM 328 CA SER A 147 0.320 -0.600 -9.017 1.00 0.00 C ATOM 329 C SER A 147 0.538 -2.108 -8.922 1.00 0.00 C ATOM 330 O SER A 147 -0.263 -2.894 -9.428 1.00 0.00 O ATOM 331 CB SER A 147 0.812 -0.087 -10.371 1.00 0.00 C ATOM 332 OG SER A 147 -0.020 0.955 -10.855 1.00 0.00 O ATOM 0 H SER A 147 1.756 0.712 -8.236 1.00 0.00 H new ATOM 0 HA SER A 147 -0.747 -0.399 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 147 1.836 0.275 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 147 0.829 -0.906 -11.090 1.00 0.00 H new ATOM 0 HG SER A 147 0.317 1.267 -11.721 1.00 0.00 H new ATOM 338 N ALA A 148 1.628 -2.506 -8.270 1.00 0.00 N ATOM 339 CA ALA A 148 1.948 -3.920 -8.111 1.00 0.00 C ATOM 340 C ALA A 148 1.355 -4.490 -6.823 1.00 0.00 C ATOM 341 O ALA A 148 1.697 -5.598 -6.413 1.00 0.00 O ATOM 342 CB ALA A 148 3.456 -4.120 -8.130 1.00 0.00 C ATOM 0 H ALA A 148 2.302 -1.870 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 148 1.503 -4.459 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.684 -5.179 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.858 -3.767 -9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.908 -3.557 -7.313 1.00 0.00 H new ATOM 348 N ILE A 149 0.463 -3.731 -6.189 1.00 0.00 N ATOM 349 CA ILE A 149 -0.172 -4.172 -4.953 1.00 0.00 C ATOM 350 C ILE A 149 -1.668 -3.886 -4.975 1.00 0.00 C ATOM 351 O ILE A 149 -2.139 -3.046 -5.741 1.00 0.00 O ATOM 352 CB ILE A 149 0.452 -3.487 -3.721 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.978 -3.554 -3.789 1.00 0.00 C ATOM 354 CG2 ILE A 149 -0.056 -4.133 -2.440 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.665 -2.839 -2.645 1.00 0.00 C ATOM 0 H ILE A 149 0.166 -2.810 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.009 -5.247 -4.880 1.00 0.00 H new ATOM 0 HB ILE A 149 0.154 -2.439 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.288 -4.599 -3.793 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.311 -3.119 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.394 -3.638 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.140 -4.035 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.214 -5.189 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.746 -2.927 -2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.384 -1.786 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.361 -3.288 -1.700 1.00 0.00 H new ATOM 367 N LYS A 150 -2.412 -4.589 -4.128 1.00 0.00 N ATOM 368 CA LYS A 150 -3.857 -4.410 -4.048 1.00 0.00 C ATOM 369 C LYS A 150 -4.272 -3.958 -2.652 1.00 0.00 C ATOM 370 O LYS A 150 -3.854 -4.539 -1.651 1.00 0.00 O ATOM 371 CB LYS A 150 -4.574 -5.711 -4.411 1.00 0.00 C ATOM 372 CG LYS A 150 -4.481 -6.066 -5.886 1.00 0.00 C ATOM 373 CD LYS A 150 -3.838 -7.429 -6.096 1.00 0.00 C ATOM 374 CE LYS A 150 -4.406 -8.129 -7.319 1.00 0.00 C ATOM 375 NZ LYS A 150 -3.731 -9.430 -7.579 1.00 0.00 N ATOM 0 H LYS A 150 -2.038 -5.289 -3.487 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.143 -3.636 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.151 -6.525 -3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.624 -5.627 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.479 -6.062 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -3.900 -5.305 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -2.761 -7.311 -6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.998 -8.048 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -5.474 -8.296 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -4.297 -7.483 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.148 -9.875 -8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -2.716 -9.269 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -3.857 -10.056 -6.758 1.00 0.00 H new ATOM 389 N GLY A 151 -5.096 -2.917 -2.594 1.00 0.00 N ATOM 390 CA GLY A 151 -5.554 -2.405 -1.317 1.00 0.00 C ATOM 391 C GLY A 151 -6.920 -2.940 -0.934 1.00 0.00 C ATOM 392 O GLY A 151 -7.700 -3.343 -1.797 1.00 0.00 O ATOM 0 H GLY A 151 -5.454 -2.419 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.833 -2.670 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.592 -1.316 -1.358 1.00 0.00 H new ATOM 396 N THR A 152 -7.211 -2.948 0.364 1.00 0.00 N ATOM 397 CA THR A 152 -8.493 -3.441 0.855 1.00 0.00 C ATOM 398 C THR A 152 -9.042 -2.544 1.961 1.00 0.00 C ATOM 399 O THR A 152 -9.661 -3.023 2.912 1.00 0.00 O ATOM 400 CB THR A 152 -8.347 -4.873 1.373 1.00 0.00 C ATOM 401 OG1 THR A 152 -9.590 -5.368 1.838 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.350 -5.001 2.505 1.00 0.00 C ATOM 0 H THR A 152 -6.578 -2.619 1.093 1.00 0.00 H new ATOM 0 HA THR A 152 -9.197 -3.429 0.023 1.00 0.00 H new ATOM 0 HB THR A 152 -7.985 -5.452 0.523 1.00 0.00 H new ATOM 0 HG1 THR A 152 -9.979 -4.731 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.295 -6.041 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 152 -6.368 -4.674 2.164 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.668 -4.380 3.342 1.00 0.00 H new ATOM 410 N GLY A 153 -8.814 -1.240 1.831 1.00 0.00 N ATOM 411 CA GLY A 153 -9.296 -0.301 2.827 1.00 0.00 C ATOM 412 C GLY A 153 -10.803 -0.347 2.988 1.00 0.00 C ATOM 413 O GLY A 153 -11.344 -1.293 3.558 1.00 0.00 O ATOM 0 H GLY A 153 -8.305 -0.818 1.055 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -8.825 -0.519 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.995 0.708 2.546 1.00 0.00 H new ATOM 417 N VAL A 154 -11.482 0.677 2.481 1.00 0.00 N ATOM 418 CA VAL A 154 -12.935 0.751 2.568 1.00 0.00 C ATOM 419 C VAL A 154 -13.555 0.993 1.197 1.00 0.00 C ATOM 420 O VAL A 154 -13.797 2.136 0.808 1.00 0.00 O ATOM 421 CB VAL A 154 -13.386 1.869 3.527 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.887 1.799 3.761 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.627 1.781 4.844 1.00 0.00 C ATOM 0 H VAL A 154 -11.048 1.468 2.005 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.277 -0.209 2.956 1.00 0.00 H new ATOM 0 HB VAL A 154 -13.159 2.831 3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -15.187 2.596 4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -15.409 1.916 2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.142 0.834 4.199 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.959 2.578 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.820 0.815 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.559 1.886 4.656 1.00 0.00 H new ATOM 433 N GLY A 155 -13.805 -0.088 0.467 1.00 0.00 N ATOM 434 CA GLY A 155 -14.393 0.030 -0.855 1.00 0.00 C ATOM 435 C GLY A 155 -13.355 -0.042 -1.958 1.00 0.00 C ATOM 436 O GLY A 155 -13.658 -0.450 -3.079 1.00 0.00 O ATOM 0 H GLY A 155 -13.611 -1.044 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -15.125 -0.765 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -14.931 0.975 -0.927 1.00 0.00 H new ATOM 440 N GLY A 156 -12.126 0.355 -1.638 1.00 0.00 N ATOM 441 CA GLY A 156 -11.058 0.326 -2.621 1.00 0.00 C ATOM 442 C GLY A 156 -9.905 1.236 -2.248 1.00 0.00 C ATOM 443 O GLY A 156 -9.642 2.226 -2.931 1.00 0.00 O ATOM 0 H GLY A 156 -11.852 0.696 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -10.692 -0.695 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -11.453 0.624 -3.592 1.00 0.00 H new ATOM 447 N ARG A 157 -9.215 0.900 -1.162 1.00 0.00 N ATOM 448 CA ARG A 157 -8.083 1.697 -0.698 1.00 0.00 C ATOM 449 C ARG A 157 -6.943 0.797 -0.234 1.00 0.00 C ATOM 450 O ARG A 157 -7.140 -0.392 0.016 1.00 0.00 O ATOM 451 CB ARG A 157 -8.499 2.628 0.448 1.00 0.00 C ATOM 452 CG ARG A 157 -9.966 3.033 0.428 1.00 0.00 C ATOM 453 CD ARG A 157 -10.200 4.246 -0.460 1.00 0.00 C ATOM 454 NE ARG A 157 -11.027 5.255 0.200 1.00 0.00 N ATOM 455 CZ ARG A 157 -10.657 5.919 1.293 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.476 5.687 1.852 1.00 0.00 N ATOM 457 NH2 ARG A 157 -11.470 6.818 1.828 1.00 0.00 N ATOM 0 H ARG A 157 -9.419 0.082 -0.587 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.741 2.303 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.283 2.136 1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.886 3.528 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -10.570 2.198 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.297 3.255 1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.241 4.686 -0.734 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.682 3.931 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 157 -11.942 5.463 -0.201 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -8.846 4.996 1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -9.199 6.199 2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -12.379 7.001 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.187 7.327 2.665 1.00 0.00 H new ATOM 471 N LEU A 158 -5.753 1.373 -0.114 1.00 0.00 N ATOM 472 CA LEU A 158 -4.582 0.624 0.329 1.00 0.00 C ATOM 473 C LEU A 158 -4.229 0.990 1.768 1.00 0.00 C ATOM 474 O LEU A 158 -4.389 2.138 2.180 1.00 0.00 O ATOM 475 CB LEU A 158 -3.395 0.904 -0.598 1.00 0.00 C ATOM 476 CG LEU A 158 -2.213 -0.064 -0.476 1.00 0.00 C ATOM 477 CD1 LEU A 158 -2.689 -1.508 -0.421 1.00 0.00 C ATOM 478 CD2 LEU A 158 -1.258 0.126 -1.642 1.00 0.00 C ATOM 0 H LEU A 158 -5.573 2.356 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.813 -0.440 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.750 0.886 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -3.035 1.914 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.690 0.157 0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -1.829 -2.172 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -3.340 -1.644 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -3.240 -1.745 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -0.422 -0.567 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -1.783 -0.068 -2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.883 1.149 -1.642 1.00 0.00 H new ATOM 490 N THR A 159 -3.761 0.008 2.533 1.00 0.00 N ATOM 491 CA THR A 159 -3.402 0.238 3.928 1.00 0.00 C ATOM 492 C THR A 159 -2.036 -0.354 4.257 1.00 0.00 C ATOM 493 O THR A 159 -1.523 -1.213 3.535 1.00 0.00 O ATOM 494 CB THR A 159 -4.460 -0.368 4.850 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.019 -1.535 4.272 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.597 0.578 5.162 1.00 0.00 C ATOM 0 H THR A 159 -3.622 -0.950 2.212 1.00 0.00 H new ATOM 0 HA THR A 159 -3.354 1.316 4.085 1.00 0.00 H new ATOM 0 HB THR A 159 -3.936 -0.597 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 159 -5.098 -1.414 3.303 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.311 0.084 5.821 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.205 1.468 5.654 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.096 0.865 4.236 1.00 0.00 H new ATOM 504 N ARG A 160 -1.459 0.099 5.368 1.00 0.00 N ATOM 505 CA ARG A 160 -0.160 -0.394 5.809 1.00 0.00 C ATOM 506 C ARG A 160 -0.198 -1.908 5.952 1.00 0.00 C ATOM 507 O ARG A 160 0.795 -2.593 5.703 1.00 0.00 O ATOM 508 CB ARG A 160 0.229 0.250 7.141 1.00 0.00 C ATOM 509 CG ARG A 160 1.608 -0.160 7.636 1.00 0.00 C ATOM 510 CD ARG A 160 2.545 1.034 7.745 1.00 0.00 C ATOM 511 NE ARG A 160 3.318 1.012 8.985 1.00 0.00 N ATOM 512 CZ ARG A 160 2.837 1.398 10.165 1.00 0.00 C ATOM 513 NH1 ARG A 160 1.588 1.834 10.271 1.00 0.00 N ATOM 514 NH2 ARG A 160 3.608 1.346 11.243 1.00 0.00 N ATOM 0 H ARG A 160 -1.871 0.806 5.977 1.00 0.00 H new ATOM 0 HA ARG A 160 0.587 -0.127 5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 160 0.198 1.334 7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.512 -0.017 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.517 -0.641 8.610 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.035 -0.897 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 160 3.226 1.040 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.965 1.956 7.696 1.00 0.00 H new ATOM 0 HE ARG A 160 4.282 0.682 8.944 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.990 1.875 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 160 1.226 2.128 11.178 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.568 1.011 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.241 1.641 12.148 1.00 0.00 H new ATOM 528 N GLU A 161 -1.361 -2.427 6.336 1.00 0.00 N ATOM 529 CA GLU A 161 -1.534 -3.862 6.490 1.00 0.00 C ATOM 530 C GLU A 161 -1.386 -4.544 5.137 1.00 0.00 C ATOM 531 O GLU A 161 -0.806 -5.625 5.033 1.00 0.00 O ATOM 532 CB GLU A 161 -2.906 -4.175 7.091 1.00 0.00 C ATOM 533 CG GLU A 161 -2.998 -5.565 7.702 1.00 0.00 C ATOM 534 CD GLU A 161 -4.412 -6.114 7.692 1.00 0.00 C ATOM 535 OE1 GLU A 161 -5.240 -5.636 8.495 1.00 0.00 O ATOM 536 OE2 GLU A 161 -4.688 -7.022 6.880 1.00 0.00 O ATOM 0 H GLU A 161 -2.193 -1.875 6.545 1.00 0.00 H new ATOM 0 HA GLU A 161 -0.768 -4.239 7.168 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.136 -3.434 7.857 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.665 -4.077 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -2.345 -6.243 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -2.632 -5.532 8.728 1.00 0.00 H new ATOM 543 N ASP A 162 -1.902 -3.890 4.101 1.00 0.00 N ATOM 544 CA ASP A 162 -1.816 -4.417 2.747 1.00 0.00 C ATOM 545 C ASP A 162 -0.361 -4.498 2.310 1.00 0.00 C ATOM 546 O ASP A 162 0.085 -5.515 1.778 1.00 0.00 O ATOM 547 CB ASP A 162 -2.607 -3.532 1.783 1.00 0.00 C ATOM 548 CG ASP A 162 -4.096 -3.544 2.074 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.629 -4.627 2.392 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.726 -2.470 1.984 1.00 0.00 O ATOM 0 H ASP A 162 -2.384 -2.994 4.175 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.245 -5.419 2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.236 -2.509 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.437 -3.871 0.761 1.00 0.00 H new ATOM 555 N VAL A 163 0.381 -3.420 2.550 1.00 0.00 N ATOM 556 CA VAL A 163 1.793 -3.373 2.192 1.00 0.00 C ATOM 557 C VAL A 163 2.566 -4.473 2.910 1.00 0.00 C ATOM 558 O VAL A 163 3.488 -5.066 2.351 1.00 0.00 O ATOM 559 CB VAL A 163 2.422 -2.008 2.541 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.864 -1.941 2.059 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.602 -0.873 1.948 1.00 0.00 C ATOM 0 H VAL A 163 0.028 -2.570 2.990 1.00 0.00 H new ATOM 0 HA VAL A 163 1.855 -3.522 1.114 1.00 0.00 H new ATOM 0 HB VAL A 163 2.421 -1.898 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.289 -0.970 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.445 -2.729 2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 163 3.893 -2.076 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.062 0.081 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.566 -0.978 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.589 -0.908 2.349 1.00 0.00 H new ATOM 571 N GLU A 164 2.177 -4.742 4.153 1.00 0.00 N ATOM 572 CA GLU A 164 2.827 -5.774 4.951 1.00 0.00 C ATOM 573 C GLU A 164 2.636 -7.149 4.319 1.00 0.00 C ATOM 574 O GLU A 164 3.591 -7.909 4.160 1.00 0.00 O ATOM 575 CB GLU A 164 2.271 -5.774 6.376 1.00 0.00 C ATOM 576 CG GLU A 164 2.790 -4.629 7.231 1.00 0.00 C ATOM 577 CD GLU A 164 2.885 -4.995 8.700 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.198 -6.167 9.001 1.00 0.00 O ATOM 579 OE2 GLU A 164 2.645 -4.111 9.549 1.00 0.00 O ATOM 0 H GLU A 164 1.415 -4.259 4.628 1.00 0.00 H new ATOM 0 HA GLU A 164 3.894 -5.553 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.183 -5.720 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.525 -6.719 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.774 -4.328 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.132 -3.768 7.117 1.00 0.00 H new ATOM 586 N LYS A 165 1.394 -7.461 3.955 1.00 0.00 N ATOM 587 CA LYS A 165 1.082 -8.744 3.336 1.00 0.00 C ATOM 588 C LYS A 165 1.849 -8.916 2.030 1.00 0.00 C ATOM 589 O LYS A 165 2.318 -10.009 1.711 1.00 0.00 O ATOM 590 CB LYS A 165 -0.422 -8.862 3.076 1.00 0.00 C ATOM 591 CG LYS A 165 -1.270 -8.773 4.335 1.00 0.00 C ATOM 592 CD LYS A 165 -0.819 -9.773 5.388 1.00 0.00 C ATOM 593 CE LYS A 165 -1.640 -9.649 6.660 1.00 0.00 C ATOM 594 NZ LYS A 165 -1.902 -10.975 7.285 1.00 0.00 N ATOM 0 H LYS A 165 0.591 -6.844 4.078 1.00 0.00 H new ATOM 0 HA LYS A 165 1.385 -9.533 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.726 -8.073 2.388 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.622 -9.812 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.212 -7.764 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.315 -8.955 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 165 -0.909 -10.785 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 165 0.235 -9.612 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.114 -9.011 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.588 -9.161 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -2.465 -10.846 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.426 -11.576 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -0.998 -11.430 7.525 1.00 0.00 H new ATOM 608 N TRP A 166 1.973 -7.827 1.276 1.00 0.00 N ATOM 609 CA TRP A 166 2.685 -7.856 0.003 1.00 0.00 C ATOM 610 C TRP A 166 4.176 -8.087 0.223 1.00 0.00 C ATOM 611 O TRP A 166 4.802 -8.883 -0.478 1.00 0.00 O ATOM 612 CB TRP A 166 2.467 -6.546 -0.756 1.00 0.00 C ATOM 613 CG TRP A 166 3.132 -6.518 -2.098 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.199 -5.752 -2.469 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.771 -7.290 -3.250 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.526 -6.001 -3.780 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.663 -6.941 -4.282 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.781 -8.242 -3.508 1.00 0.00 C ATOM 619 CZ2 TRP A 166 3.594 -7.511 -5.550 1.00 0.00 C ATOM 620 CZ3 TRP A 166 1.714 -8.808 -4.768 1.00 0.00 C ATOM 621 CH2 TRP A 166 2.616 -8.440 -5.775 1.00 0.00 C ATOM 0 H TRP A 166 1.590 -6.915 1.525 1.00 0.00 H new ATOM 0 HA TRP A 166 2.290 -8.681 -0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.397 -6.384 -0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 166 2.844 -5.719 -0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.712 -5.052 -1.826 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.287 -5.559 -4.296 1.00 0.00 H new ATOM 0 HE3 TRP A 166 1.081 -8.530 -2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.288 -7.230 -6.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.954 -9.546 -4.979 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.537 -8.900 -6.749 1.00 0.00 H new ATOM 632 N LEU A 167 4.739 -7.385 1.199 1.00 0.00 N ATOM 633 CA LEU A 167 6.158 -7.510 1.513 1.00 0.00 C ATOM 634 C LEU A 167 6.494 -8.928 1.958 1.00 0.00 C ATOM 635 O LEU A 167 7.523 -9.485 1.573 1.00 0.00 O ATOM 636 CB LEU A 167 6.548 -6.513 2.606 1.00 0.00 C ATOM 637 CG LEU A 167 6.590 -5.050 2.161 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.241 -4.129 3.321 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.959 -4.705 1.597 1.00 0.00 C ATOM 0 H LEU A 167 4.234 -6.722 1.788 1.00 0.00 H new ATOM 0 HA LEU A 167 6.726 -7.289 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.841 -6.606 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.529 -6.787 2.994 1.00 0.00 H new ATOM 0 HG LEU A 167 5.848 -4.907 1.375 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.276 -3.092 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.238 -4.361 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 167 6.958 -4.273 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.971 -3.661 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.719 -4.864 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 167 8.170 -5.342 0.738 1.00 0.00 H new ATOM 651 N ALA A 168 5.619 -9.507 2.771 1.00 0.00 N ATOM 652 CA ALA A 168 5.819 -10.862 3.271 1.00 0.00 C ATOM 653 C ALA A 168 5.628 -11.890 2.162 1.00 0.00 C ATOM 654 O ALA A 168 6.257 -12.948 2.167 1.00 0.00 O ATOM 655 CB ALA A 168 4.868 -11.144 4.424 1.00 0.00 C ATOM 0 H ALA A 168 4.763 -9.059 3.099 1.00 0.00 H new ATOM 0 HA ALA A 168 6.844 -10.942 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.028 -12.159 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.055 -10.436 5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 168 3.839 -11.040 4.081 1.00 0.00 H new ATOM 661 N LYS A 169 4.756 -11.571 1.210 1.00 0.00 N ATOM 662 CA LYS A 169 4.482 -12.466 0.093 1.00 0.00 C ATOM 663 C LYS A 169 5.216 -12.009 -1.164 1.00 0.00 C ATOM 664 O LYS A 169 4.736 -12.202 -2.280 1.00 0.00 O ATOM 665 CB LYS A 169 2.977 -12.535 -0.176 1.00 0.00 C ATOM 666 CG LYS A 169 2.481 -13.936 -0.496 1.00 0.00 C ATOM 667 CD LYS A 169 2.484 -14.824 0.739 1.00 0.00 C ATOM 668 CE LYS A 169 2.956 -16.231 0.412 1.00 0.00 C ATOM 669 NZ LYS A 169 4.403 -16.264 0.060 1.00 0.00 N ATOM 0 H LYS A 169 4.227 -10.699 1.191 1.00 0.00 H new ATOM 0 HA LYS A 169 4.842 -13.460 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 169 2.443 -12.160 0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 169 2.734 -11.873 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 169 1.472 -13.881 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.112 -14.380 -1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 169 3.132 -14.389 1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 169 1.480 -14.865 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 169 2.776 -16.882 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 169 2.371 -16.626 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 4.770 -17.228 0.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 4.525 -15.978 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 4.925 -15.608 0.676 1.00 0.00 H new ATOM 683 N ALA A 170 6.382 -11.399 -0.973 1.00 0.00 N ATOM 684 CA ALA A 170 7.182 -10.914 -2.091 1.00 0.00 C ATOM 685 C ALA A 170 8.419 -11.780 -2.297 1.00 0.00 C ATOM 686 O ALA A 170 8.386 -12.656 -3.187 1.00 0.00 O ATOM 687 CB ALA A 170 7.582 -9.465 -1.862 1.00 0.00 C ATOM 688 OXT ALA A 170 9.413 -11.575 -1.568 1.00 0.00 O ATOM 0 H ALA A 170 6.793 -11.229 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 170 6.575 -10.974 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 170 8.179 -9.115 -2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 170 6.686 -8.850 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.168 -9.390 -0.946 1.00 0.00 H new