USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 310 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 Set 1.1: A 134 CYS SG : rot 145:sc= 0.978 USER MOD Set 1.2: A 137 CYS SG : rot -59:sc= -3.32! USER MOD Set 1.3: A 158 HIS : no HD1:sc=-0.00338 K(o=-3.8,f=-4.6) USER MOD Set 1.4: A 161 CYS SG : rot -171:sc= -1.41! USER MOD Set 2.1: A 153 CYS SG : rot -154:sc= -0.0381 USER MOD Set 2.2: A 155 HIS : no HE2:sc= -1.4 K(o=-18,f=-17) USER MOD Set 2.3: A 172 CYS SG : rot 150:sc= -7.33! USER MOD Set 2.4: A 175 CYS SG : rot -68:sc= -8.9! USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.42) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLU A 133 7.333 3.186 -1.282 1.00 0.00 N ATOM 78 CA GLU A 133 7.656 2.779 0.113 1.00 0.00 C ATOM 79 C GLU A 133 6.395 2.309 0.837 1.00 0.00 C ATOM 80 O GLU A 133 5.429 3.034 0.966 1.00 0.00 O ATOM 81 CB GLU A 133 8.256 3.964 0.871 1.00 0.00 C ATOM 82 CG GLU A 133 9.778 3.945 0.723 1.00 0.00 C ATOM 83 CD GLU A 133 10.185 4.804 -0.475 1.00 0.00 C ATOM 84 OE1 GLU A 133 10.103 6.017 -0.364 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.571 4.236 -1.483 1.00 0.00 O ATOM 0 HA GLU A 133 8.374 1.960 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.854 4.900 0.482 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.982 3.912 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.247 4.323 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.128 2.922 0.586 1.00 0.00 H new ATOM 92 N CYS A 134 6.412 1.103 1.327 1.00 0.00 N ATOM 93 CA CYS A 134 5.237 0.571 2.069 1.00 0.00 C ATOM 94 C CYS A 134 4.973 1.480 3.270 1.00 0.00 C ATOM 95 O CYS A 134 5.749 1.530 4.203 1.00 0.00 O ATOM 96 CB CYS A 134 5.573 -0.841 2.550 1.00 0.00 C ATOM 97 SG CYS A 134 4.097 -1.698 3.162 1.00 0.00 S ATOM 0 H CYS A 134 7.197 0.457 1.245 1.00 0.00 H new ATOM 0 HA CYS A 134 4.352 0.541 1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.014 -1.411 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.321 -0.789 3.342 1.00 0.00 H new ATOM 0 HG CYS A 134 4.176 -2.962 2.869 1.00 0.00 H new ATOM 102 N ALA A 135 3.896 2.211 3.255 1.00 0.00 N ATOM 103 CA ALA A 135 3.606 3.119 4.397 1.00 0.00 C ATOM 104 C ALA A 135 3.360 2.295 5.662 1.00 0.00 C ATOM 105 O ALA A 135 3.258 2.828 6.749 1.00 0.00 O ATOM 106 CB ALA A 135 2.362 3.953 4.083 1.00 0.00 C ATOM 0 H ALA A 135 3.206 2.220 2.504 1.00 0.00 H new ATOM 0 HA ALA A 135 4.458 3.780 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.149 4.618 4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.538 4.545 3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.511 3.291 3.921 1.00 0.00 H new ATOM 112 N VAL A 136 3.249 1.000 5.532 1.00 0.00 N ATOM 113 CA VAL A 136 2.994 0.159 6.734 1.00 0.00 C ATOM 114 C VAL A 136 4.298 -0.471 7.243 1.00 0.00 C ATOM 115 O VAL A 136 4.753 -0.159 8.325 1.00 0.00 O ATOM 116 CB VAL A 136 2.000 -0.936 6.373 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.819 -1.874 7.570 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.655 -0.302 6.015 1.00 0.00 C ATOM 0 H VAL A 136 3.324 0.492 4.651 1.00 0.00 H new ATOM 0 HA VAL A 136 2.585 0.787 7.526 1.00 0.00 H new ATOM 0 HB VAL A 136 2.374 -1.503 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.107 -2.659 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.778 -2.324 7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.443 -1.308 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.059 -1.084 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.280 0.263 6.869 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.783 0.368 5.165 1.00 0.00 H new ATOM 128 N CYS A 137 4.906 -1.360 6.494 1.00 0.00 N ATOM 129 CA CYS A 137 6.168 -1.979 6.996 1.00 0.00 C ATOM 130 C CYS A 137 7.381 -1.204 6.470 1.00 0.00 C ATOM 131 O CYS A 137 8.486 -1.365 6.947 1.00 0.00 O ATOM 132 CB CYS A 137 6.270 -3.456 6.583 1.00 0.00 C ATOM 133 SG CYS A 137 6.786 -3.607 4.854 1.00 0.00 S ATOM 0 H CYS A 137 4.590 -1.677 5.577 1.00 0.00 H new ATOM 0 HA CYS A 137 6.154 -1.932 8.085 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.984 -3.970 7.226 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.306 -3.945 6.723 1.00 0.00 H new ATOM 0 HG CYS A 137 5.926 -3.001 4.090 1.00 0.00 H new ATOM 138 N LEU A 138 7.183 -0.364 5.491 1.00 0.00 N ATOM 139 CA LEU A 138 8.325 0.419 4.937 1.00 0.00 C ATOM 140 C LEU A 138 9.384 -0.545 4.404 1.00 0.00 C ATOM 141 O LEU A 138 10.569 -0.330 4.557 1.00 0.00 O ATOM 142 CB LEU A 138 8.933 1.283 6.042 1.00 0.00 C ATOM 143 CG LEU A 138 7.814 1.927 6.860 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.369 2.390 8.209 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.258 3.133 6.099 1.00 0.00 C ATOM 0 H LEU A 138 6.280 -0.186 5.051 1.00 0.00 H new ATOM 0 HA LEU A 138 7.973 1.060 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.566 0.674 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.570 2.054 5.607 1.00 0.00 H new ATOM 0 HG LEU A 138 7.019 1.200 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.571 2.849 8.792 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.768 1.533 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.164 3.118 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.460 3.594 6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.054 3.859 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 138 6.863 2.806 5.137 1.00 0.00 H new ATOM 157 N ALA A 139 8.964 -1.609 3.779 1.00 0.00 N ATOM 158 CA ALA A 139 9.945 -2.591 3.237 1.00 0.00 C ATOM 159 C ALA A 139 9.986 -2.480 1.712 1.00 0.00 C ATOM 160 O ALA A 139 8.968 -2.498 1.050 1.00 0.00 O ATOM 161 CB ALA A 139 9.524 -4.007 3.634 1.00 0.00 C ATOM 0 H ALA A 139 7.984 -1.842 3.620 1.00 0.00 H new ATOM 0 HA ALA A 139 10.934 -2.379 3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.242 -4.725 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.494 -4.087 4.721 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.535 -4.220 3.227 1.00 0.00 H new ATOM 167 N GLU A 140 11.158 -2.365 1.150 1.00 0.00 N ATOM 168 CA GLU A 140 11.267 -2.254 -0.331 1.00 0.00 C ATOM 169 C GLU A 140 10.371 -3.306 -0.989 1.00 0.00 C ATOM 170 O GLU A 140 10.381 -4.463 -0.619 1.00 0.00 O ATOM 171 CB GLU A 140 12.719 -2.485 -0.753 1.00 0.00 C ATOM 172 CG GLU A 140 13.538 -1.223 -0.476 1.00 0.00 C ATOM 173 CD GLU A 140 14.971 -1.425 -0.970 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.252 -2.491 -1.491 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.763 -0.509 -0.821 1.00 0.00 O ATOM 0 H GLU A 140 12.045 -2.343 1.653 1.00 0.00 H new ATOM 0 HA GLU A 140 10.950 -1.260 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.138 -3.330 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.765 -2.736 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.087 -0.367 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.538 -1.004 0.592 1.00 0.00 H new ATOM 182 N LEU A 141 9.597 -2.912 -1.962 1.00 0.00 N ATOM 183 CA LEU A 141 8.702 -3.888 -2.645 1.00 0.00 C ATOM 184 C LEU A 141 9.529 -4.771 -3.580 1.00 0.00 C ATOM 185 O LEU A 141 9.844 -4.391 -4.690 1.00 0.00 O ATOM 186 CB LEU A 141 7.648 -3.132 -3.456 1.00 0.00 C ATOM 187 CG LEU A 141 6.512 -2.689 -2.533 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.849 -1.435 -3.105 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.476 -3.808 -2.428 1.00 0.00 C ATOM 0 H LEU A 141 9.545 -1.956 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 141 8.208 -4.512 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.098 -2.264 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.258 -3.770 -4.249 1.00 0.00 H new ATOM 0 HG LEU A 141 6.913 -2.469 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.039 -1.119 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.587 -0.636 -3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.448 -1.655 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 141 4.666 -3.493 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.076 -4.027 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 141 5.947 -4.703 -2.021 1.00 0.00 H new ATOM 201 N GLU A 142 9.886 -5.948 -3.141 1.00 0.00 N ATOM 202 CA GLU A 142 10.694 -6.852 -4.007 1.00 0.00 C ATOM 203 C GLU A 142 9.837 -8.041 -4.446 1.00 0.00 C ATOM 204 O GLU A 142 8.725 -8.220 -3.990 1.00 0.00 O ATOM 205 CB GLU A 142 11.906 -7.358 -3.224 1.00 0.00 C ATOM 206 CG GLU A 142 12.892 -6.207 -3.009 1.00 0.00 C ATOM 207 CD GLU A 142 13.190 -5.533 -4.349 1.00 0.00 C ATOM 208 OE1 GLU A 142 13.185 -6.227 -5.353 1.00 0.00 O ATOM 209 OE2 GLU A 142 13.419 -4.335 -4.350 1.00 0.00 O ATOM 0 H GLU A 142 9.653 -6.322 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 142 11.032 -6.305 -4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.588 -7.763 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.390 -8.169 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.474 -5.482 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.814 -6.582 -2.566 1.00 0.00 H new ATOM 216 N ASP A 143 10.347 -8.856 -5.329 1.00 0.00 N ATOM 217 CA ASP A 143 9.563 -10.034 -5.797 1.00 0.00 C ATOM 218 C ASP A 143 9.403 -11.031 -4.648 1.00 0.00 C ATOM 219 O ASP A 143 10.147 -11.009 -3.687 1.00 0.00 O ATOM 220 CB ASP A 143 10.300 -10.708 -6.957 1.00 0.00 C ATOM 221 CG ASP A 143 10.349 -9.756 -8.153 1.00 0.00 C ATOM 222 OD1 ASP A 143 9.308 -9.226 -8.507 1.00 0.00 O ATOM 223 OD2 ASP A 143 11.426 -9.573 -8.696 1.00 0.00 O ATOM 0 H ASP A 143 11.272 -8.757 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 143 8.579 -9.705 -6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.311 -10.978 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 143 9.794 -11.632 -7.235 1.00 0.00 H new ATOM 228 N GLY A 144 8.439 -11.905 -4.738 1.00 0.00 N ATOM 229 CA GLY A 144 8.235 -12.903 -3.650 1.00 0.00 C ATOM 230 C GLY A 144 7.090 -12.444 -2.743 1.00 0.00 C ATOM 231 O GLY A 144 6.614 -13.184 -1.905 1.00 0.00 O ATOM 0 H GLY A 144 7.784 -11.972 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.006 -13.880 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.150 -13.015 -3.069 1.00 0.00 H new ATOM 235 N GLU A 145 6.645 -11.228 -2.904 1.00 0.00 N ATOM 236 CA GLU A 145 5.533 -10.724 -2.052 1.00 0.00 C ATOM 237 C GLU A 145 4.306 -10.449 -2.925 1.00 0.00 C ATOM 238 O GLU A 145 4.391 -10.414 -4.136 1.00 0.00 O ATOM 239 CB GLU A 145 5.965 -9.430 -1.358 1.00 0.00 C ATOM 240 CG GLU A 145 7.317 -9.645 -0.673 1.00 0.00 C ATOM 241 CD GLU A 145 7.128 -10.516 0.571 1.00 0.00 C ATOM 242 OE1 GLU A 145 6.591 -10.015 1.545 1.00 0.00 O ATOM 243 OE2 GLU A 145 7.524 -11.669 0.528 1.00 0.00 O ATOM 0 H GLU A 145 7.004 -10.562 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 145 5.285 -11.473 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.038 -8.622 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.217 -9.131 -0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.013 -10.123 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.752 -8.685 -0.395 1.00 0.00 H new ATOM 250 N GLU A 146 3.167 -10.251 -2.320 1.00 0.00 N ATOM 251 CA GLU A 146 1.937 -9.977 -3.116 1.00 0.00 C ATOM 252 C GLU A 146 1.453 -8.555 -2.826 1.00 0.00 C ATOM 253 O GLU A 146 0.469 -8.351 -2.146 1.00 0.00 O ATOM 254 CB GLU A 146 0.844 -10.976 -2.730 1.00 0.00 C ATOM 255 CG GLU A 146 1.110 -12.316 -3.417 1.00 0.00 C ATOM 256 CD GLU A 146 1.063 -13.438 -2.378 1.00 0.00 C ATOM 257 OE1 GLU A 146 2.069 -13.651 -1.720 1.00 0.00 O ATOM 258 OE2 GLU A 146 0.024 -14.065 -2.257 1.00 0.00 O ATOM 0 H GLU A 146 3.035 -10.267 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 146 2.161 -10.078 -4.178 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.823 -11.108 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.133 -10.593 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 146 0.366 -12.493 -4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 146 2.084 -12.299 -3.907 1.00 0.00 H new ATOM 265 N ALA A 147 2.138 -7.570 -3.336 1.00 0.00 N ATOM 266 CA ALA A 147 1.717 -6.164 -3.086 1.00 0.00 C ATOM 267 C ALA A 147 0.403 -5.887 -3.818 1.00 0.00 C ATOM 268 O ALA A 147 0.155 -6.402 -4.889 1.00 0.00 O ATOM 269 CB ALA A 147 2.800 -5.213 -3.599 1.00 0.00 C ATOM 0 H ALA A 147 2.971 -7.678 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 147 1.574 -6.010 -2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.495 -4.182 -3.418 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.736 -5.412 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.942 -5.366 -4.669 1.00 0.00 H new ATOM 275 N ARG A 148 -0.443 -5.078 -3.242 1.00 0.00 N ATOM 276 CA ARG A 148 -1.743 -4.768 -3.895 1.00 0.00 C ATOM 277 C ARG A 148 -1.729 -3.323 -4.407 1.00 0.00 C ATOM 278 O ARG A 148 -1.525 -2.389 -3.656 1.00 0.00 O ATOM 279 CB ARG A 148 -2.864 -4.947 -2.869 1.00 0.00 C ATOM 280 CG ARG A 148 -2.869 -6.392 -2.363 1.00 0.00 C ATOM 281 CD ARG A 148 -4.254 -6.735 -1.812 1.00 0.00 C ATOM 282 NE ARG A 148 -4.478 -8.206 -1.907 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.385 -8.776 -1.160 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.266 -8.046 -0.534 1.00 0.00 N ATOM 285 NH2 ARG A 148 -5.408 -10.074 -1.040 1.00 0.00 N ATOM 0 H ARG A 148 -0.288 -4.618 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.907 -5.439 -4.738 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.721 -4.259 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.826 -4.705 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.609 -7.073 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -2.115 -6.519 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.335 -6.411 -0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -5.022 -6.203 -2.373 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.924 -8.766 -2.554 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.246 -7.031 -0.628 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -6.975 -8.491 0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -4.718 -10.644 -1.529 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.116 -10.520 -0.457 1.00 0.00 H new ATOM 299 N PHE A 149 -1.948 -3.133 -5.683 1.00 0.00 N ATOM 300 CA PHE A 149 -1.953 -1.753 -6.253 1.00 0.00 C ATOM 301 C PHE A 149 -3.396 -1.240 -6.313 1.00 0.00 C ATOM 302 O PHE A 149 -4.321 -2.004 -6.511 1.00 0.00 O ATOM 303 CB PHE A 149 -1.370 -1.785 -7.668 1.00 0.00 C ATOM 304 CG PHE A 149 0.119 -2.034 -7.599 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.603 -3.273 -7.165 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.014 -1.024 -7.971 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.983 -3.503 -7.103 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.394 -1.253 -7.910 1.00 0.00 C ATOM 309 CZ PHE A 149 2.878 -2.493 -7.476 1.00 0.00 C ATOM 0 H PHE A 149 -2.124 -3.878 -6.357 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.352 -1.095 -5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.853 -2.568 -8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.568 -0.840 -8.175 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.088 -4.052 -6.878 1.00 0.00 H new ATOM 0 HD2 PHE A 149 0.640 -0.068 -8.305 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.357 -4.459 -6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.084 -0.474 -8.197 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.942 -2.671 -7.429 1.00 0.00 H new ATOM 319 N LEU A 150 -3.609 0.040 -6.139 1.00 0.00 N ATOM 320 CA LEU A 150 -5.006 0.564 -6.185 1.00 0.00 C ATOM 321 C LEU A 150 -5.257 1.277 -7.521 1.00 0.00 C ATOM 322 O LEU A 150 -4.330 1.666 -8.200 1.00 0.00 O ATOM 323 CB LEU A 150 -5.221 1.536 -5.028 1.00 0.00 C ATOM 324 CG LEU A 150 -4.635 0.936 -3.750 1.00 0.00 C ATOM 325 CD1 LEU A 150 -4.983 1.835 -2.569 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.222 -0.456 -3.517 1.00 0.00 C ATOM 0 H LEU A 150 -2.884 0.737 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.705 -0.267 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.744 2.491 -5.247 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.285 1.733 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.552 0.858 -3.849 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -4.567 1.412 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -4.564 2.828 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.066 1.909 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -4.802 -0.880 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.305 -0.382 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.979 -1.100 -4.362 1.00 0.00 H new ATOM 338 N PRO A 151 -6.516 1.408 -7.861 1.00 0.00 N ATOM 339 CA PRO A 151 -6.946 2.049 -9.119 1.00 0.00 C ATOM 340 C PRO A 151 -6.910 3.581 -9.029 1.00 0.00 C ATOM 341 O PRO A 151 -6.418 4.248 -9.916 1.00 0.00 O ATOM 342 CB PRO A 151 -8.388 1.558 -9.291 1.00 0.00 C ATOM 343 CG PRO A 151 -8.885 1.154 -7.882 1.00 0.00 C ATOM 344 CD PRO A 151 -7.630 0.922 -7.020 1.00 0.00 C ATOM 0 HA PRO A 151 -6.292 1.795 -9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.017 2.341 -9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.430 0.711 -9.975 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.510 1.937 -7.453 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.494 0.251 -7.930 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.687 1.469 -6.079 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.509 -0.132 -6.769 1.00 0.00 H new ATOM 352 N ARG A 152 -7.444 4.150 -7.980 1.00 0.00 N ATOM 353 CA ARG A 152 -7.452 5.637 -7.865 1.00 0.00 C ATOM 354 C ARG A 152 -6.047 6.198 -8.039 1.00 0.00 C ATOM 355 O ARG A 152 -5.835 7.191 -8.707 1.00 0.00 O ATOM 356 CB ARG A 152 -7.893 6.045 -6.464 1.00 0.00 C ATOM 357 CG ARG A 152 -9.150 5.300 -6.026 1.00 0.00 C ATOM 358 CD ARG A 152 -9.944 6.185 -5.056 1.00 0.00 C ATOM 359 NE ARG A 152 -11.334 6.365 -5.562 1.00 0.00 N ATOM 360 CZ ARG A 152 -12.056 7.367 -5.142 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.531 8.560 -5.059 1.00 0.00 N ATOM 362 NH2 ARG A 152 -13.303 7.178 -4.808 1.00 0.00 N ATOM 0 H ARG A 152 -7.873 3.651 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.126 6.018 -8.633 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.088 5.846 -5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.080 7.119 -6.440 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.761 5.050 -6.893 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.882 4.360 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.963 5.729 -4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.457 7.154 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.721 5.705 -6.237 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -10.557 8.708 -5.323 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.095 9.344 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.713 6.247 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.867 7.962 -4.480 1.00 0.00 H new ATOM 376 N CYS A 153 -5.102 5.603 -7.383 1.00 0.00 N ATOM 377 CA CYS A 153 -3.711 6.131 -7.432 1.00 0.00 C ATOM 378 C CYS A 153 -2.730 5.098 -7.991 1.00 0.00 C ATOM 379 O CYS A 153 -1.972 5.380 -8.897 1.00 0.00 O ATOM 380 CB CYS A 153 -3.292 6.496 -6.005 1.00 0.00 C ATOM 381 SG CYS A 153 -3.875 5.215 -4.855 1.00 0.00 S ATOM 0 H CYS A 153 -5.229 4.769 -6.810 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.689 7.000 -8.090 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.207 6.587 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.709 7.465 -5.729 1.00 0.00 H new ATOM 0 HG CYS A 153 -4.034 5.733 -3.673 1.00 0.00 H new ATOM 386 N GLY A 154 -2.710 3.917 -7.443 1.00 0.00 N ATOM 387 CA GLY A 154 -1.749 2.895 -7.926 1.00 0.00 C ATOM 388 C GLY A 154 -0.702 2.649 -6.836 1.00 0.00 C ATOM 389 O GLY A 154 0.195 1.844 -6.999 1.00 0.00 O ATOM 0 H GLY A 154 -3.319 3.617 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.271 1.968 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.267 3.234 -8.843 1.00 0.00 H new ATOM 393 N HIS A 155 -0.811 3.324 -5.716 1.00 0.00 N ATOM 394 CA HIS A 155 0.182 3.100 -4.625 1.00 0.00 C ATOM 395 C HIS A 155 0.247 1.596 -4.371 1.00 0.00 C ATOM 396 O HIS A 155 -0.742 0.974 -4.037 1.00 0.00 O ATOM 397 CB HIS A 155 -0.252 3.817 -3.337 1.00 0.00 C ATOM 398 CG HIS A 155 -0.054 5.309 -3.457 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.017 6.217 -3.018 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.984 6.059 -3.947 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.525 7.451 -3.256 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.686 7.409 -3.820 1.00 0.00 N ATOM 0 H HIS A 155 -1.537 4.012 -5.514 1.00 0.00 H new ATOM 0 HA HIS A 155 1.154 3.496 -4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.300 3.601 -3.131 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.323 3.437 -2.493 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -1.919 5.992 -2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.895 5.660 -4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.049 8.365 -3.019 1.00 0.00 H new ATOM 409 N GLY A 156 1.387 0.996 -4.552 1.00 0.00 N ATOM 410 CA GLY A 156 1.480 -0.476 -4.346 1.00 0.00 C ATOM 411 C GLY A 156 1.959 -0.798 -2.929 1.00 0.00 C ATOM 412 O GLY A 156 3.084 -0.526 -2.559 1.00 0.00 O ATOM 0 H GLY A 156 2.254 1.455 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.506 -0.934 -4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.168 -0.907 -5.074 1.00 0.00 H new ATOM 416 N PHE A 157 1.108 -1.399 -2.146 1.00 0.00 N ATOM 417 CA PHE A 157 1.485 -1.778 -0.757 1.00 0.00 C ATOM 418 C PHE A 157 1.623 -3.294 -0.710 1.00 0.00 C ATOM 419 O PHE A 157 1.607 -3.952 -1.727 1.00 0.00 O ATOM 420 CB PHE A 157 0.390 -1.315 0.211 1.00 0.00 C ATOM 421 CG PHE A 157 0.323 0.186 0.178 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.500 0.821 -0.751 1.00 0.00 C ATOM 423 CD2 PHE A 157 1.095 0.942 1.069 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.557 2.213 -0.793 1.00 0.00 C ATOM 425 CE2 PHE A 157 1.040 2.338 1.027 1.00 0.00 C ATOM 426 CZ PHE A 157 0.212 2.976 0.095 1.00 0.00 C ATOM 0 H PHE A 157 0.155 -1.647 -2.413 1.00 0.00 H new ATOM 0 HA PHE A 157 2.425 -1.308 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.571 -1.743 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.607 -1.662 1.221 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.093 0.235 -1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.732 0.447 1.787 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.196 2.705 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.635 2.924 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 157 0.166 4.055 0.061 1.00 0.00 H new ATOM 436 N HIS A 158 1.767 -3.855 0.447 1.00 0.00 N ATOM 437 CA HIS A 158 1.912 -5.332 0.534 1.00 0.00 C ATOM 438 C HIS A 158 0.541 -5.971 0.696 1.00 0.00 C ATOM 439 O HIS A 158 -0.392 -5.342 1.133 1.00 0.00 O ATOM 440 CB HIS A 158 2.763 -5.669 1.751 1.00 0.00 C ATOM 441 CG HIS A 158 4.210 -5.710 1.342 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.141 -4.870 1.914 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.886 -6.444 0.401 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.319 -5.102 1.314 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.223 -6.057 0.384 1.00 0.00 N ATOM 0 H HIS A 158 1.791 -3.360 1.338 1.00 0.00 H new ATOM 0 HA HIS A 158 2.383 -5.709 -0.374 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.614 -4.924 2.532 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.462 -6.631 2.166 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.449 -7.204 -0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.234 -4.580 1.554 1.00 0.00 H new ATOM 0 HE2 HIS A 158 6.968 -6.423 -0.209 1.00 0.00 H new ATOM 452 N ALA A 159 0.410 -7.222 0.377 1.00 0.00 N ATOM 453 CA ALA A 159 -0.909 -7.875 0.564 1.00 0.00 C ATOM 454 C ALA A 159 -1.074 -8.120 2.062 1.00 0.00 C ATOM 455 O ALA A 159 -2.168 -8.169 2.589 1.00 0.00 O ATOM 456 CB ALA A 159 -0.947 -9.207 -0.188 1.00 0.00 C ATOM 0 H ALA A 159 1.148 -7.816 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.712 -7.247 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.919 -9.678 -0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.783 -9.030 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.166 -9.863 0.195 1.00 0.00 H new ATOM 462 N GLU A 160 0.030 -8.266 2.750 1.00 0.00 N ATOM 463 CA GLU A 160 -0.012 -8.499 4.220 1.00 0.00 C ATOM 464 C GLU A 160 -0.129 -7.161 4.955 1.00 0.00 C ATOM 465 O GLU A 160 -0.984 -6.987 5.797 1.00 0.00 O ATOM 466 CB GLU A 160 1.270 -9.211 4.658 1.00 0.00 C ATOM 467 CG GLU A 160 1.120 -10.717 4.439 1.00 0.00 C ATOM 468 CD GLU A 160 0.334 -11.327 5.602 1.00 0.00 C ATOM 469 OE1 GLU A 160 0.757 -11.153 6.733 1.00 0.00 O ATOM 470 OE2 GLU A 160 -0.678 -11.957 5.341 1.00 0.00 O ATOM 0 H GLU A 160 0.967 -8.233 2.349 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.876 -9.118 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.120 -8.833 4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.472 -9.004 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 160 0.605 -10.909 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.102 -11.184 4.365 1.00 0.00 H new ATOM 477 N CYS A 161 0.722 -6.210 4.652 1.00 0.00 N ATOM 478 CA CYS A 161 0.635 -4.899 5.353 1.00 0.00 C ATOM 479 C CYS A 161 -0.657 -4.200 4.950 1.00 0.00 C ATOM 480 O CYS A 161 -1.346 -3.630 5.768 1.00 0.00 O ATOM 481 CB CYS A 161 1.820 -4.008 4.973 1.00 0.00 C ATOM 482 SG CYS A 161 3.342 -4.958 4.989 1.00 0.00 S ATOM 0 H CYS A 161 1.464 -6.287 3.957 1.00 0.00 H new ATOM 0 HA CYS A 161 0.652 -5.075 6.429 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.660 -3.581 3.983 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.896 -3.175 5.671 1.00 0.00 H new ATOM 0 HG CYS A 161 4.355 -4.157 4.842 1.00 0.00 H new ATOM 487 N VAL A 162 -0.988 -4.237 3.693 1.00 0.00 N ATOM 488 CA VAL A 162 -2.242 -3.569 3.238 1.00 0.00 C ATOM 489 C VAL A 162 -3.439 -4.191 3.967 1.00 0.00 C ATOM 490 O VAL A 162 -4.383 -3.513 4.319 1.00 0.00 O ATOM 491 CB VAL A 162 -2.411 -3.740 1.721 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.925 -5.148 1.407 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.418 -2.709 1.207 1.00 0.00 C ATOM 0 H VAL A 162 -0.449 -4.698 2.960 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.187 -2.505 3.467 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.447 -3.594 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.042 -5.261 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.212 -5.886 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.888 -5.301 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.541 -2.826 0.130 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.378 -2.860 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.053 -1.705 1.423 1.00 0.00 H new ATOM 503 N ASP A 163 -3.403 -5.477 4.198 1.00 0.00 N ATOM 504 CA ASP A 163 -4.536 -6.145 4.903 1.00 0.00 C ATOM 505 C ASP A 163 -4.576 -5.688 6.362 1.00 0.00 C ATOM 506 O ASP A 163 -5.606 -5.292 6.871 1.00 0.00 O ATOM 507 CB ASP A 163 -4.343 -7.663 4.848 1.00 0.00 C ATOM 508 CG ASP A 163 -5.025 -8.219 3.597 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.297 -7.440 2.699 1.00 0.00 O ATOM 510 OD2 ASP A 163 -5.262 -9.415 3.558 1.00 0.00 O ATOM 0 H ASP A 163 -2.637 -6.094 3.928 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.474 -5.878 4.416 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.280 -7.905 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.763 -8.126 5.741 1.00 0.00 H new ATOM 515 N MET A 164 -3.463 -5.734 7.040 1.00 0.00 N ATOM 516 CA MET A 164 -3.439 -5.295 8.462 1.00 0.00 C ATOM 517 C MET A 164 -3.782 -3.807 8.527 1.00 0.00 C ATOM 518 O MET A 164 -4.242 -3.305 9.534 1.00 0.00 O ATOM 519 CB MET A 164 -2.042 -5.524 9.046 1.00 0.00 C ATOM 520 CG MET A 164 -1.796 -7.024 9.208 1.00 0.00 C ATOM 521 SD MET A 164 -0.051 -7.311 9.593 1.00 0.00 S ATOM 522 CE MET A 164 -0.279 -8.820 10.567 1.00 0.00 C ATOM 0 H MET A 164 -2.569 -6.057 6.670 1.00 0.00 H new ATOM 0 HA MET A 164 -4.166 -5.868 9.037 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.287 -5.090 8.391 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.953 -5.024 10.010 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.425 -7.423 10.004 1.00 0.00 H new ATOM 0 HG3 MET A 164 -2.069 -7.549 8.293 1.00 0.00 H new ATOM 0 HE1 MET A 164 0.690 -9.179 10.913 1.00 0.00 H new ATOM 0 HE2 MET A 164 -0.915 -8.606 11.426 1.00 0.00 H new ATOM 0 HE3 MET A 164 -0.750 -9.584 9.949 1.00 0.00 H new ATOM 532 N TRP A 165 -3.563 -3.102 7.453 1.00 0.00 N ATOM 533 CA TRP A 165 -3.877 -1.648 7.435 1.00 0.00 C ATOM 534 C TRP A 165 -5.370 -1.462 7.202 1.00 0.00 C ATOM 535 O TRP A 165 -5.939 -0.444 7.539 1.00 0.00 O ATOM 536 CB TRP A 165 -3.113 -0.971 6.300 1.00 0.00 C ATOM 537 CG TRP A 165 -3.513 0.466 6.222 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.477 0.970 5.409 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.981 1.595 6.974 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.549 2.343 5.605 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.652 2.768 6.564 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.986 1.711 7.962 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.347 4.013 7.109 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.677 2.963 8.516 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.357 4.113 8.089 1.00 0.00 C ATOM 0 H TRP A 165 -3.179 -3.472 6.584 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.587 -1.205 8.388 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -2.039 -1.053 6.470 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.325 -1.471 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.086 0.398 4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.186 2.961 5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.457 0.831 8.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.873 4.896 6.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.912 3.041 9.275 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.115 5.074 8.517 1.00 0.00 H new ATOM 556 N LEU A 166 -6.013 -2.444 6.637 1.00 0.00 N ATOM 557 CA LEU A 166 -7.464 -2.319 6.402 1.00 0.00 C ATOM 558 C LEU A 166 -8.137 -2.236 7.761 1.00 0.00 C ATOM 559 O LEU A 166 -8.586 -1.191 8.166 1.00 0.00 O ATOM 560 CB LEU A 166 -7.969 -3.554 5.646 1.00 0.00 C ATOM 561 CG LEU A 166 -7.521 -3.484 4.184 1.00 0.00 C ATOM 562 CD1 LEU A 166 -8.238 -4.569 3.379 1.00 0.00 C ATOM 563 CD2 LEU A 166 -7.869 -2.111 3.608 1.00 0.00 C ATOM 0 H LEU A 166 -5.593 -3.322 6.331 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.688 -1.433 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.582 -4.460 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.056 -3.606 5.701 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.444 -3.640 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.920 -4.520 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -7.991 -5.549 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -9.315 -4.413 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.550 -2.062 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -8.946 -1.955 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -7.359 -1.336 4.181 1.00 0.00 H new ATOM 575 N GLY A 167 -8.152 -3.340 8.465 1.00 0.00 N ATOM 576 CA GLY A 167 -8.754 -3.401 9.843 1.00 0.00 C ATOM 577 C GLY A 167 -9.711 -2.228 10.090 1.00 0.00 C ATOM 578 O GLY A 167 -9.638 -1.585 11.116 1.00 0.00 O ATOM 0 H GLY A 167 -7.764 -4.225 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.291 -4.342 9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -7.960 -3.387 10.589 1.00 0.00 H new ATOM 582 N SER A 168 -10.588 -1.954 9.145 1.00 0.00 N ATOM 583 CA SER A 168 -11.571 -0.820 9.261 1.00 0.00 C ATOM 584 C SER A 168 -11.454 0.057 8.012 1.00 0.00 C ATOM 585 O SER A 168 -12.384 0.180 7.241 1.00 0.00 O ATOM 586 CB SER A 168 -11.298 0.045 10.494 1.00 0.00 C ATOM 587 OG SER A 168 -12.135 1.194 10.457 1.00 0.00 O ATOM 0 H SER A 168 -10.665 -2.483 8.276 1.00 0.00 H new ATOM 0 HA SER A 168 -12.571 -1.244 9.357 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.486 -0.527 11.403 1.00 0.00 H new ATOM 0 HB3 SER A 168 -10.250 0.345 10.517 1.00 0.00 H new ATOM 0 HG SER A 168 -11.964 1.749 11.246 1.00 0.00 H new ATOM 593 N HIS A 169 -10.316 0.669 7.804 1.00 0.00 N ATOM 594 CA HIS A 169 -10.150 1.533 6.602 1.00 0.00 C ATOM 595 C HIS A 169 -10.058 0.653 5.356 1.00 0.00 C ATOM 596 O HIS A 169 -9.085 -0.042 5.144 1.00 0.00 O ATOM 597 CB HIS A 169 -8.858 2.356 6.729 1.00 0.00 C ATOM 598 CG HIS A 169 -9.001 3.341 7.857 1.00 0.00 C ATOM 599 ND1 HIS A 169 -10.229 3.868 8.226 1.00 0.00 N ATOM 600 CD2 HIS A 169 -8.082 3.905 8.706 1.00 0.00 C ATOM 601 CE1 HIS A 169 -10.018 4.709 9.254 1.00 0.00 C ATOM 602 NE2 HIS A 169 -8.725 4.768 9.587 1.00 0.00 N ATOM 0 H HIS A 169 -9.500 0.607 8.413 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.005 2.205 6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.010 1.696 6.913 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.656 2.882 5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -7.020 3.708 8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -10.798 5.268 9.750 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -8.301 5.326 10.328 1.00 0.00 H new ATOM 610 N SER A 170 -11.057 0.696 4.519 1.00 0.00 N ATOM 611 CA SER A 170 -11.023 -0.116 3.272 1.00 0.00 C ATOM 612 C SER A 170 -10.514 0.781 2.152 1.00 0.00 C ATOM 613 O SER A 170 -11.128 0.914 1.111 1.00 0.00 O ATOM 614 CB SER A 170 -12.431 -0.611 2.939 1.00 0.00 C ATOM 615 OG SER A 170 -12.404 -2.022 2.763 1.00 0.00 O ATOM 0 H SER A 170 -11.897 1.260 4.646 1.00 0.00 H new ATOM 0 HA SER A 170 -10.372 -0.982 3.395 1.00 0.00 H new ATOM 0 HB2 SER A 170 -13.121 -0.346 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.794 -0.127 2.032 1.00 0.00 H new ATOM 0 HG SER A 170 -13.306 -2.343 2.551 1.00 0.00 H new ATOM 621 N THR A 171 -9.408 1.429 2.380 1.00 0.00 N ATOM 622 CA THR A 171 -8.861 2.356 1.359 1.00 0.00 C ATOM 623 C THR A 171 -7.333 2.301 1.350 1.00 0.00 C ATOM 624 O THR A 171 -6.710 1.543 2.068 1.00 0.00 O ATOM 625 CB THR A 171 -9.309 3.783 1.684 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.103 4.036 3.066 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.793 3.946 1.351 1.00 0.00 C ATOM 0 H THR A 171 -8.858 1.355 3.236 1.00 0.00 H new ATOM 0 HA THR A 171 -9.232 2.058 0.378 1.00 0.00 H new ATOM 0 HB THR A 171 -8.728 4.490 1.091 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.387 4.950 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.109 4.963 1.584 1.00 0.00 H new ATOM 0 HG22 THR A 171 -10.952 3.751 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.378 3.241 1.941 1.00 0.00 H new ATOM 635 N CYS A 172 -6.743 3.119 0.533 1.00 0.00 N ATOM 636 CA CYS A 172 -5.259 3.185 0.420 1.00 0.00 C ATOM 637 C CYS A 172 -4.701 3.806 1.709 1.00 0.00 C ATOM 638 O CYS A 172 -5.242 4.775 2.202 1.00 0.00 O ATOM 639 CB CYS A 172 -4.981 4.106 -0.762 1.00 0.00 C ATOM 640 SG CYS A 172 -3.291 3.958 -1.367 1.00 0.00 S ATOM 0 H CYS A 172 -7.240 3.765 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.802 2.206 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.675 3.874 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.169 5.138 -0.467 1.00 0.00 H new ATOM 0 HG CYS A 172 -3.263 4.207 -2.643 1.00 0.00 H new ATOM 645 N PRO A 173 -3.656 3.218 2.242 1.00 0.00 N ATOM 646 CA PRO A 173 -3.044 3.694 3.500 1.00 0.00 C ATOM 647 C PRO A 173 -2.207 4.954 3.337 1.00 0.00 C ATOM 648 O PRO A 173 -2.057 5.716 4.271 1.00 0.00 O ATOM 649 CB PRO A 173 -2.140 2.542 3.923 1.00 0.00 C ATOM 650 CG PRO A 173 -1.854 1.715 2.654 1.00 0.00 C ATOM 651 CD PRO A 173 -2.982 2.035 1.656 1.00 0.00 C ATOM 0 HA PRO A 173 -3.817 3.959 4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.213 2.917 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.624 1.929 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.881 1.973 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.830 0.650 2.883 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.587 2.252 0.664 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.670 1.196 1.549 1.00 0.00 H new ATOM 659 N LEU A 174 -1.610 5.175 2.209 1.00 0.00 N ATOM 660 CA LEU A 174 -0.752 6.379 2.117 1.00 0.00 C ATOM 661 C LEU A 174 -1.543 7.605 1.658 1.00 0.00 C ATOM 662 O LEU A 174 -1.335 8.695 2.151 1.00 0.00 O ATOM 663 CB LEU A 174 0.400 6.117 1.146 1.00 0.00 C ATOM 664 CG LEU A 174 1.430 7.241 1.257 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.472 6.877 2.313 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.120 7.434 -0.096 1.00 0.00 C ATOM 0 H LEU A 174 -1.673 4.597 1.371 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.361 6.587 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.867 5.158 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 174 0.022 6.056 0.125 1.00 0.00 H new ATOM 0 HG LEU A 174 0.930 8.165 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 174 3.206 7.679 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.981 6.739 3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.974 5.953 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.855 8.235 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.620 6.510 -0.385 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.377 7.695 -0.850 1.00 0.00 H new ATOM 678 N CYS A 175 -2.443 7.457 0.730 1.00 0.00 N ATOM 679 CA CYS A 175 -3.212 8.648 0.281 1.00 0.00 C ATOM 680 C CYS A 175 -4.644 8.563 0.837 1.00 0.00 C ATOM 681 O CYS A 175 -5.156 9.531 1.354 1.00 0.00 O ATOM 682 CB CYS A 175 -3.187 8.729 -1.249 1.00 0.00 C ATOM 683 SG CYS A 175 -4.299 7.501 -1.957 1.00 0.00 S ATOM 0 H CYS A 175 -2.678 6.578 0.269 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.759 9.563 0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.483 9.727 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.173 8.564 -1.612 1.00 0.00 H new ATOM 0 HG CYS A 175 -3.831 6.310 -1.730 1.00 0.00 H new ATOM 688 N ARG A 176 -5.263 7.403 0.743 1.00 0.00 N ATOM 689 CA ARG A 176 -6.650 7.177 1.272 1.00 0.00 C ATOM 690 C ARG A 176 -7.644 7.220 0.125 1.00 0.00 C ATOM 691 O ARG A 176 -8.762 7.679 0.258 1.00 0.00 O ATOM 692 CB ARG A 176 -7.024 8.193 2.354 1.00 0.00 C ATOM 693 CG ARG A 176 -6.005 8.097 3.496 1.00 0.00 C ATOM 694 CD ARG A 176 -6.505 8.896 4.699 1.00 0.00 C ATOM 695 NE ARG A 176 -7.791 8.315 5.180 1.00 0.00 N ATOM 696 CZ ARG A 176 -8.602 9.036 5.903 1.00 0.00 C ATOM 697 NH1 ARG A 176 -9.523 9.759 5.326 1.00 0.00 N ATOM 698 NH2 ARG A 176 -8.494 9.034 7.204 1.00 0.00 N ATOM 0 H ARG A 176 -4.848 6.579 0.307 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.679 6.193 1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.032 9.201 1.939 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.029 7.994 2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.855 7.054 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.039 8.481 3.168 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -5.763 8.875 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -6.646 9.941 4.422 1.00 0.00 H new ATOM 0 HE ARG A 176 -8.036 7.354 4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -9.608 9.760 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -10.157 10.323 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -7.775 8.468 7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -9.129 9.598 7.769 1.00 0.00 H new ATOM 712 N LEU A 177 -7.242 6.701 -0.995 1.00 0.00 N ATOM 713 CA LEU A 177 -8.132 6.647 -2.167 1.00 0.00 C ATOM 714 C LEU A 177 -8.815 5.276 -2.174 1.00 0.00 C ATOM 715 O LEU A 177 -8.224 4.285 -2.555 1.00 0.00 O ATOM 716 CB LEU A 177 -7.291 6.807 -3.430 1.00 0.00 C ATOM 717 CG LEU A 177 -6.776 8.244 -3.539 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.592 8.288 -4.506 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.890 9.143 -4.073 1.00 0.00 C ATOM 0 H LEU A 177 -6.314 6.305 -1.145 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.879 7.440 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.452 6.112 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -7.888 6.558 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.461 8.592 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.224 9.311 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.795 7.643 -4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.912 7.941 -5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.525 10.167 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.200 8.792 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.740 9.112 -3.392 1.00 0.00 H new