USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=5 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 Set 1.1: A 152 THR OG1 : rot -15:sc= 0.181 USER MOD Set 1.2: A 159 THR OG1 : rot 37:sc= 0.305 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 142 HIS : no HE2:sc= -7.69 K(o=-7.7,f=-9.5!) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=-0.14) 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 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 130 -7.483 5.877 -3.568 1.00 0.00 N ATOM 61 CA ALA A 130 -6.695 4.694 -3.893 1.00 0.00 C ATOM 62 C ALA A 130 -5.504 4.554 -2.956 1.00 0.00 C ATOM 63 O ALA A 130 -5.286 3.498 -2.362 1.00 0.00 O ATOM 64 CB ALA A 130 -6.228 4.752 -5.339 1.00 0.00 C ATOM 0 HA ALA A 130 -7.330 3.818 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -5.641 3.863 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -7.094 4.795 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -5.614 5.640 -5.488 1.00 0.00 H new ATOM 70 N LEU A 131 -4.734 5.626 -2.833 1.00 0.00 N ATOM 71 CA LEU A 131 -3.559 5.632 -1.971 1.00 0.00 C ATOM 72 C LEU A 131 -3.710 6.660 -0.854 1.00 0.00 C ATOM 73 O LEU A 131 -4.574 7.535 -0.914 1.00 0.00 O ATOM 74 CB LEU A 131 -2.302 5.930 -2.793 1.00 0.00 C ATOM 75 CG LEU A 131 -1.517 4.696 -3.244 1.00 0.00 C ATOM 76 CD1 LEU A 131 -1.251 4.744 -4.741 1.00 0.00 C ATOM 77 CD2 LEU A 131 -0.209 4.584 -2.473 1.00 0.00 C ATOM 0 H LEU A 131 -4.902 6.506 -3.321 1.00 0.00 H new ATOM 0 HA LEU A 131 -3.463 4.645 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.590 6.501 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.642 6.566 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 131 -2.119 3.813 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -0.692 3.857 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -2.199 4.773 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.671 5.636 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.336 3.701 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.396 5.473 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.421 4.498 -1.407 1.00 0.00 H new ATOM 89 N SER A 132 -2.864 6.548 0.165 1.00 0.00 N ATOM 90 CA SER A 132 -2.903 7.467 1.297 1.00 0.00 C ATOM 91 C SER A 132 -1.626 8.301 1.367 1.00 0.00 C ATOM 92 O SER A 132 -0.610 7.946 0.769 1.00 0.00 O ATOM 93 CB SER A 132 -3.094 6.695 2.603 1.00 0.00 C ATOM 94 OG SER A 132 -4.467 6.597 2.943 1.00 0.00 O ATOM 0 H SER A 132 -2.143 5.830 0.230 1.00 0.00 H new ATOM 0 HA SER A 132 -3.748 8.141 1.155 1.00 0.00 H new ATOM 0 HB2 SER A 132 -2.669 5.696 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 132 -2.552 7.194 3.406 1.00 0.00 H new ATOM 0 HG SER A 132 -4.562 6.098 3.781 1.00 0.00 H new ATOM 100 N PRO A 133 -1.660 9.424 2.104 1.00 0.00 N ATOM 101 CA PRO A 133 -0.498 10.308 2.250 1.00 0.00 C ATOM 102 C PRO A 133 0.664 9.624 2.962 1.00 0.00 C ATOM 103 O PRO A 133 1.784 9.589 2.451 1.00 0.00 O ATOM 104 CB PRO A 133 -1.029 11.475 3.090 1.00 0.00 C ATOM 105 CG PRO A 133 -2.235 10.938 3.782 1.00 0.00 C ATOM 106 CD PRO A 133 -2.829 9.921 2.850 1.00 0.00 C ATOM 0 HA PRO A 133 -0.100 10.614 1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -0.282 11.816 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -1.282 12.329 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -1.967 10.484 4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -2.948 11.734 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -3.330 9.120 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -3.570 10.367 2.187 1.00 0.00 H new ATOM 114 N ALA A 134 0.392 9.081 4.144 1.00 0.00 N ATOM 115 CA ALA A 134 1.415 8.400 4.925 1.00 0.00 C ATOM 116 C ALA A 134 1.898 7.141 4.214 1.00 0.00 C ATOM 117 O ALA A 134 3.102 6.897 4.102 1.00 0.00 O ATOM 118 CB ALA A 134 0.881 8.057 6.308 1.00 0.00 C ATOM 0 H ALA A 134 -0.529 9.100 4.581 1.00 0.00 H new ATOM 0 HA ALA A 134 2.265 9.074 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 134 1.656 7.548 6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 134 0.590 8.973 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.014 7.404 6.211 1.00 0.00 H new ATOM 124 N ILE A 135 0.953 6.341 3.728 1.00 0.00 N ATOM 125 CA ILE A 135 1.296 5.113 3.029 1.00 0.00 C ATOM 126 C ILE A 135 2.211 5.400 1.849 1.00 0.00 C ATOM 127 O ILE A 135 3.202 4.709 1.651 1.00 0.00 O ATOM 128 CB ILE A 135 0.051 4.361 2.522 1.00 0.00 C ATOM 129 CG1 ILE A 135 -0.884 4.036 3.688 1.00 0.00 C ATOM 130 CG2 ILE A 135 0.467 3.087 1.790 1.00 0.00 C ATOM 131 CD1 ILE A 135 -2.115 3.257 3.278 1.00 0.00 C ATOM 0 H ILE A 135 -0.048 6.522 3.806 1.00 0.00 H new ATOM 0 HA ILE A 135 1.809 4.481 3.753 1.00 0.00 H new ATOM 0 HB ILE A 135 -0.486 5.000 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -0.334 3.464 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -1.195 4.966 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.422 2.564 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.098 3.345 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.021 2.441 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -2.731 3.062 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -2.688 3.836 2.554 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.814 2.311 2.829 1.00 0.00 H new ATOM 143 N ARG A 136 1.881 6.424 1.068 1.00 0.00 N ATOM 144 CA ARG A 136 2.698 6.780 -0.086 1.00 0.00 C ATOM 145 C ARG A 136 4.160 6.883 0.323 1.00 0.00 C ATOM 146 O ARG A 136 5.058 6.511 -0.433 1.00 0.00 O ATOM 147 CB ARG A 136 2.223 8.098 -0.701 1.00 0.00 C ATOM 148 CG ARG A 136 0.984 7.953 -1.570 1.00 0.00 C ATOM 149 CD ARG A 136 1.277 8.286 -3.024 1.00 0.00 C ATOM 150 NE ARG A 136 2.394 7.506 -3.550 1.00 0.00 N ATOM 151 CZ ARG A 136 2.652 7.362 -4.847 1.00 0.00 C ATOM 152 NH1 ARG A 136 1.876 7.942 -5.755 1.00 0.00 N ATOM 153 NH2 ARG A 136 3.690 6.635 -5.240 1.00 0.00 N ATOM 0 H ARG A 136 1.063 7.016 1.211 1.00 0.00 H new ATOM 0 HA ARG A 136 2.595 5.998 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.014 8.808 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 136 3.029 8.521 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.607 6.933 -1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 136 0.199 8.610 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 136 0.388 8.097 -3.625 1.00 0.00 H new ATOM 0 HD3 ARG A 136 1.503 9.349 -3.114 1.00 0.00 H new ATOM 0 HE ARG A 136 3.013 7.044 -2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.076 8.502 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 136 2.080 7.827 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.290 6.187 -4.548 1.00 0.00 H new ATOM 0 HH22 ARG A 136 3.888 6.524 -6.234 1.00 0.00 H new ATOM 167 N ARG A 137 4.385 7.356 1.541 1.00 0.00 N ATOM 168 CA ARG A 137 5.731 7.469 2.071 1.00 0.00 C ATOM 169 C ARG A 137 6.263 6.078 2.374 1.00 0.00 C ATOM 170 O ARG A 137 7.423 5.765 2.107 1.00 0.00 O ATOM 171 CB ARG A 137 5.736 8.321 3.340 1.00 0.00 C ATOM 172 CG ARG A 137 7.128 8.742 3.786 1.00 0.00 C ATOM 173 CD ARG A 137 7.092 9.440 5.135 1.00 0.00 C ATOM 174 NE ARG A 137 8.018 10.569 5.192 1.00 0.00 N ATOM 175 CZ ARG A 137 9.331 10.442 5.368 1.00 0.00 C ATOM 176 NH1 ARG A 137 9.877 9.239 5.502 1.00 0.00 N ATOM 177 NH2 ARG A 137 10.101 11.520 5.406 1.00 0.00 N ATOM 0 H ARG A 137 3.651 7.667 2.178 1.00 0.00 H new ATOM 0 HA ARG A 137 6.370 7.953 1.332 1.00 0.00 H new ATOM 0 HB2 ARG A 137 5.133 9.213 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 137 5.259 7.762 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 137 7.773 7.865 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 137 7.564 9.408 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 137 6.080 9.791 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 137 7.342 8.726 5.920 1.00 0.00 H new ATOM 0 HE ARG A 137 7.636 11.509 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 137 9.289 8.406 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 137 10.884 9.148 5.637 1.00 0.00 H new ATOM 0 HH21 ARG A 137 9.687 12.446 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 137 11.107 11.423 5.541 1.00 0.00 H new ATOM 191 N LEU A 138 5.388 5.240 2.926 1.00 0.00 N ATOM 192 CA LEU A 138 5.748 3.869 3.262 1.00 0.00 C ATOM 193 C LEU A 138 6.122 3.081 2.007 1.00 0.00 C ATOM 194 O LEU A 138 7.197 2.486 1.938 1.00 0.00 O ATOM 195 CB LEU A 138 4.588 3.176 3.980 1.00 0.00 C ATOM 196 CG LEU A 138 4.858 1.726 4.384 1.00 0.00 C ATOM 197 CD1 LEU A 138 5.892 1.666 5.497 1.00 0.00 C ATOM 198 CD2 LEU A 138 3.570 1.040 4.813 1.00 0.00 C ATOM 0 H LEU A 138 4.424 5.489 3.149 1.00 0.00 H new ATOM 0 HA LEU A 138 6.613 3.900 3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 138 4.340 3.747 4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 138 3.712 3.201 3.332 1.00 0.00 H new ATOM 0 HG LEU A 138 5.255 1.197 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 138 6.071 0.626 5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 138 6.823 2.116 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 138 5.524 2.212 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 138 3.784 0.009 5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 138 3.142 1.569 5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 138 2.860 1.049 3.986 1.00 0.00 H new ATOM 210 N LEU A 139 5.239 3.090 1.011 1.00 0.00 N ATOM 211 CA LEU A 139 5.492 2.382 -0.238 1.00 0.00 C ATOM 212 C LEU A 139 6.743 2.933 -0.900 1.00 0.00 C ATOM 213 O LEU A 139 7.534 2.190 -1.483 1.00 0.00 O ATOM 214 CB LEU A 139 4.294 2.515 -1.180 1.00 0.00 C ATOM 215 CG LEU A 139 3.116 1.592 -0.865 1.00 0.00 C ATOM 216 CD1 LEU A 139 1.818 2.188 -1.385 1.00 0.00 C ATOM 217 CD2 LEU A 139 3.349 0.212 -1.462 1.00 0.00 C ATOM 0 H LEU A 139 4.345 3.579 1.046 1.00 0.00 H new ATOM 0 HA LEU A 139 5.642 1.325 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 139 3.944 3.547 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 139 4.628 2.317 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 139 3.036 1.490 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 139 0.991 1.518 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.646 3.155 -0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 139 1.885 2.320 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 139 2.502 -0.433 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 139 3.454 0.296 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 139 4.258 -0.217 -1.042 1.00 0.00 H new ATOM 229 N ALA A 140 6.917 4.243 -0.792 1.00 0.00 N ATOM 230 CA ALA A 140 8.080 4.907 -1.364 1.00 0.00 C ATOM 231 C ALA A 140 9.354 4.444 -0.667 1.00 0.00 C ATOM 232 O ALA A 140 10.417 4.354 -1.284 1.00 0.00 O ATOM 233 CB ALA A 140 7.933 6.417 -1.260 1.00 0.00 C ATOM 0 H ALA A 140 6.267 4.867 -0.313 1.00 0.00 H new ATOM 0 HA ALA A 140 8.148 4.639 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 140 8.810 6.899 -1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 140 7.042 6.734 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 140 7.842 6.702 -0.212 1.00 0.00 H new ATOM 239 N GLU A 141 9.236 4.148 0.625 1.00 0.00 N ATOM 240 CA GLU A 141 10.368 3.689 1.415 1.00 0.00 C ATOM 241 C GLU A 141 10.682 2.230 1.115 1.00 0.00 C ATOM 242 O GLU A 141 11.834 1.864 0.878 1.00 0.00 O ATOM 243 CB GLU A 141 10.081 3.863 2.908 1.00 0.00 C ATOM 244 CG GLU A 141 9.909 5.314 3.330 1.00 0.00 C ATOM 245 CD GLU A 141 11.117 5.852 4.071 1.00 0.00 C ATOM 246 OE1 GLU A 141 11.253 5.559 5.278 1.00 0.00 O ATOM 247 OE2 GLU A 141 11.928 6.567 3.445 1.00 0.00 O ATOM 0 H GLU A 141 8.362 4.219 1.146 1.00 0.00 H new ATOM 0 HA GLU A 141 11.235 4.293 1.146 1.00 0.00 H new ATOM 0 HB2 GLU A 141 9.177 3.310 3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.897 3.421 3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 141 9.727 5.926 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.028 5.402 3.966 1.00 0.00 H new ATOM 254 N HIS A 142 9.645 1.402 1.122 1.00 0.00 N ATOM 255 CA HIS A 142 9.796 -0.023 0.848 1.00 0.00 C ATOM 256 C HIS A 142 10.193 -0.265 -0.607 1.00 0.00 C ATOM 257 O HIS A 142 10.597 -1.369 -0.971 1.00 0.00 O ATOM 258 CB HIS A 142 8.492 -0.763 1.159 1.00 0.00 C ATOM 259 CG HIS A 142 8.229 -0.935 2.623 1.00 0.00 C ATOM 260 ND1 HIS A 142 8.612 -2.055 3.332 1.00 0.00 N ATOM 261 CD2 HIS A 142 7.611 -0.123 3.514 1.00 0.00 C ATOM 262 CE1 HIS A 142 8.239 -1.924 4.593 1.00 0.00 C ATOM 263 NE2 HIS A 142 7.632 -0.761 4.729 1.00 0.00 N ATOM 0 H HIS A 142 8.687 1.693 1.315 1.00 0.00 H new ATOM 0 HA HIS A 142 10.590 -0.406 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 142 7.661 -0.218 0.712 1.00 0.00 H new ATOM 0 HB3 HIS A 142 8.521 -1.745 0.687 1.00 0.00 H new ATOM 0 HD1 HIS A 142 9.106 -2.859 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 142 7.182 0.846 3.307 1.00 0.00 H new ATOM 0 HE1 HIS A 142 8.403 -2.647 5.379 1.00 0.00 H new ATOM 272 N ASN A 143 10.071 0.769 -1.438 1.00 0.00 N ATOM 273 CA ASN A 143 10.416 0.662 -2.852 1.00 0.00 C ATOM 274 C ASN A 143 9.498 -0.329 -3.559 1.00 0.00 C ATOM 275 O ASN A 143 9.959 -1.225 -4.268 1.00 0.00 O ATOM 276 CB ASN A 143 11.877 0.238 -3.017 1.00 0.00 C ATOM 277 CG ASN A 143 12.824 1.421 -3.040 1.00 0.00 C ATOM 278 OD1 ASN A 143 12.676 2.364 -2.263 1.00 0.00 O ATOM 279 ND2 ASN A 143 13.805 1.377 -3.934 1.00 0.00 N ATOM 0 H ASN A 143 9.736 1.690 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 143 10.282 1.643 -3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 143 12.153 -0.429 -2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 143 11.986 -0.329 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 143 14.473 2.145 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 143 13.890 0.575 -4.559 1.00 0.00 H new ATOM 286 N LEU A 144 8.194 -0.162 -3.361 1.00 0.00 N ATOM 287 CA LEU A 144 7.207 -1.041 -3.979 1.00 0.00 C ATOM 288 C LEU A 144 6.351 -0.278 -4.982 1.00 0.00 C ATOM 289 O LEU A 144 6.521 0.926 -5.173 1.00 0.00 O ATOM 290 CB LEU A 144 6.313 -1.676 -2.914 1.00 0.00 C ATOM 291 CG LEU A 144 7.031 -2.091 -1.630 1.00 0.00 C ATOM 292 CD1 LEU A 144 6.025 -2.450 -0.549 1.00 0.00 C ATOM 293 CD2 LEU A 144 7.969 -3.259 -1.900 1.00 0.00 C ATOM 0 H LEU A 144 7.796 0.574 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 144 7.745 -1.828 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.522 -0.971 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 144 5.831 -2.555 -3.343 1.00 0.00 H new ATOM 0 HG LEU A 144 7.625 -1.248 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.554 -2.743 0.358 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.394 -1.587 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.404 -3.278 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.473 -3.542 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.396 -4.107 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.711 -2.965 -2.642 1.00 0.00 H new ATOM 305 N ASP A 145 5.429 -0.990 -5.618 1.00 0.00 N ATOM 306 CA ASP A 145 4.539 -0.387 -6.603 1.00 0.00 C ATOM 307 C ASP A 145 3.080 -0.640 -6.242 1.00 0.00 C ATOM 308 O ASP A 145 2.645 -1.788 -6.144 1.00 0.00 O ATOM 309 CB ASP A 145 4.835 -0.943 -7.997 1.00 0.00 C ATOM 310 CG ASP A 145 4.562 0.068 -9.093 1.00 0.00 C ATOM 311 OD1 ASP A 145 4.895 1.256 -8.902 1.00 0.00 O ATOM 312 OD2 ASP A 145 4.014 -0.329 -10.143 1.00 0.00 O ATOM 0 H ASP A 145 5.278 -1.988 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 145 4.714 0.689 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.878 -1.255 -8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.228 -1.832 -8.167 1.00 0.00 H new ATOM 317 N ALA A 146 2.328 0.439 -6.044 1.00 0.00 N ATOM 318 CA ALA A 146 0.915 0.333 -5.692 1.00 0.00 C ATOM 319 C ALA A 146 0.162 -0.540 -6.691 1.00 0.00 C ATOM 320 O ALA A 146 -0.648 -1.383 -6.308 1.00 0.00 O ATOM 321 CB ALA A 146 0.287 1.717 -5.618 1.00 0.00 C ATOM 0 H ALA A 146 2.673 1.396 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 146 0.844 -0.141 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 146 -0.767 1.625 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 146 0.800 2.309 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 146 0.377 2.210 -6.586 1.00 0.00 H new ATOM 327 N SER A 147 0.437 -0.332 -7.975 1.00 0.00 N ATOM 328 CA SER A 147 -0.212 -1.100 -9.031 1.00 0.00 C ATOM 329 C SER A 147 0.049 -2.595 -8.864 1.00 0.00 C ATOM 330 O SER A 147 -0.695 -3.425 -9.385 1.00 0.00 O ATOM 331 CB SER A 147 0.279 -0.635 -10.402 1.00 0.00 C ATOM 332 OG SER A 147 -0.622 -1.021 -11.426 1.00 0.00 O ATOM 0 H SER A 147 1.105 0.362 -8.309 1.00 0.00 H new ATOM 0 HA SER A 147 -1.286 -0.930 -8.959 1.00 0.00 H new ATOM 0 HB2 SER A 147 0.392 0.449 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 147 1.264 -1.058 -10.602 1.00 0.00 H new ATOM 0 HG SER A 147 -0.285 -0.710 -12.292 1.00 0.00 H new ATOM 338 N ALA A 148 1.110 -2.934 -8.136 1.00 0.00 N ATOM 339 CA ALA A 148 1.463 -4.329 -7.904 1.00 0.00 C ATOM 340 C ALA A 148 0.779 -4.871 -6.652 1.00 0.00 C ATOM 341 O ALA A 148 0.584 -6.079 -6.515 1.00 0.00 O ATOM 342 CB ALA A 148 2.973 -4.477 -7.789 1.00 0.00 C ATOM 0 H ALA A 148 1.739 -2.261 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 148 1.114 -4.913 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 148 3.224 -5.523 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 148 3.443 -4.139 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 148 3.335 -3.874 -6.956 1.00 0.00 H new ATOM 348 N ILE A 149 0.420 -3.973 -5.741 1.00 0.00 N ATOM 349 CA ILE A 149 -0.240 -4.364 -4.502 1.00 0.00 C ATOM 350 C ILE A 149 -1.737 -4.079 -4.565 1.00 0.00 C ATOM 351 O ILE A 149 -2.199 -3.326 -5.422 1.00 0.00 O ATOM 352 CB ILE A 149 0.362 -3.630 -3.285 1.00 0.00 C ATOM 353 CG1 ILE A 149 1.883 -3.518 -3.427 1.00 0.00 C ATOM 354 CG2 ILE A 149 0.000 -4.353 -1.996 1.00 0.00 C ATOM 355 CD1 ILE A 149 2.544 -2.772 -2.288 1.00 0.00 C ATOM 0 H ILE A 149 0.575 -2.970 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 149 -0.080 -5.436 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 149 -0.056 -2.624 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 149 2.308 -4.520 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 149 2.116 -3.013 -4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 149 0.432 -3.823 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -1.084 -4.386 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 149 0.392 -5.369 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 149 3.620 -2.732 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 149 2.146 -1.758 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 149 2.342 -3.288 -1.349 1.00 0.00 H new ATOM 367 N LYS A 150 -2.491 -4.687 -3.655 1.00 0.00 N ATOM 368 CA LYS A 150 -3.938 -4.497 -3.612 1.00 0.00 C ATOM 369 C LYS A 150 -4.342 -3.663 -2.401 1.00 0.00 C ATOM 370 O LYS A 150 -3.604 -3.574 -1.420 1.00 0.00 O ATOM 371 CB LYS A 150 -4.647 -5.852 -3.573 1.00 0.00 C ATOM 372 CG LYS A 150 -4.758 -6.520 -4.935 1.00 0.00 C ATOM 373 CD LYS A 150 -4.042 -7.862 -4.960 1.00 0.00 C ATOM 374 CE LYS A 150 -3.920 -8.401 -6.376 1.00 0.00 C ATOM 375 NZ LYS A 150 -4.978 -9.403 -6.684 1.00 0.00 N ATOM 0 H LYS A 150 -2.126 -5.314 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.238 -3.962 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -4.109 -6.515 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -5.647 -5.718 -3.161 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.809 -6.663 -5.186 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.334 -5.866 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.049 -7.754 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -4.585 -8.577 -4.343 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -3.985 -7.576 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -2.939 -8.858 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -4.859 -9.745 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.901 -10.203 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.914 -8.961 -6.584 1.00 0.00 H new ATOM 389 N GLY A 151 -5.520 -3.051 -2.479 1.00 0.00 N ATOM 390 CA GLY A 151 -6.002 -2.230 -1.383 1.00 0.00 C ATOM 391 C GLY A 151 -7.203 -2.839 -0.685 1.00 0.00 C ATOM 392 O GLY A 151 -8.046 -3.470 -1.322 1.00 0.00 O ATOM 0 H GLY A 151 -6.148 -3.109 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -5.199 -2.088 -0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -6.268 -1.243 -1.762 1.00 0.00 H new ATOM 396 N THR A 152 -7.279 -2.647 0.628 1.00 0.00 N ATOM 397 CA THR A 152 -8.386 -3.179 1.415 1.00 0.00 C ATOM 398 C THR A 152 -8.987 -2.100 2.309 1.00 0.00 C ATOM 399 O THR A 152 -9.559 -2.396 3.358 1.00 0.00 O ATOM 400 CB THR A 152 -7.911 -4.357 2.267 1.00 0.00 C ATOM 401 OG1 THR A 152 -6.919 -3.942 3.187 1.00 0.00 O ATOM 402 CG2 THR A 152 -7.334 -5.494 1.450 1.00 0.00 C ATOM 0 H THR A 152 -6.588 -2.127 1.169 1.00 0.00 H new ATOM 0 HA THR A 152 -9.157 -3.524 0.726 1.00 0.00 H new ATOM 0 HB THR A 152 -8.801 -4.718 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.581 -3.060 2.927 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.017 -6.296 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 152 -8.093 -5.871 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 152 -6.477 -5.135 0.881 1.00 0.00 H new ATOM 410 N GLY A 153 -8.855 -0.845 1.887 1.00 0.00 N ATOM 411 CA GLY A 153 -9.390 0.258 2.662 1.00 0.00 C ATOM 412 C GLY A 153 -10.874 0.468 2.425 1.00 0.00 C ATOM 413 O GLY A 153 -11.655 -0.483 2.460 1.00 0.00 O ATOM 0 H GLY A 153 -8.387 -0.574 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.217 0.071 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.852 1.171 2.408 1.00 0.00 H new ATOM 417 N VAL A 154 -11.261 1.715 2.184 1.00 0.00 N ATOM 418 CA VAL A 154 -12.659 2.047 1.938 1.00 0.00 C ATOM 419 C VAL A 154 -12.985 1.986 0.450 1.00 0.00 C ATOM 420 O VAL A 154 -13.225 3.012 -0.188 1.00 0.00 O ATOM 421 CB VAL A 154 -13.008 3.448 2.476 1.00 0.00 C ATOM 422 CG1 VAL A 154 -14.506 3.694 2.399 1.00 0.00 C ATOM 423 CG2 VAL A 154 -12.505 3.614 3.903 1.00 0.00 C ATOM 0 H VAL A 154 -10.626 2.513 2.154 1.00 0.00 H new ATOM 0 HA VAL A 154 -13.258 1.306 2.467 1.00 0.00 H new ATOM 0 HB VAL A 154 -12.510 4.190 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -14.732 4.689 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -14.834 3.623 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -15.029 2.947 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -12.761 4.610 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -12.971 2.864 4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -11.423 3.487 3.924 1.00 0.00 H new ATOM 433 N GLY A 155 -12.990 0.775 -0.099 1.00 0.00 N ATOM 434 CA GLY A 155 -13.286 0.601 -1.509 1.00 0.00 C ATOM 435 C GLY A 155 -12.092 0.093 -2.294 1.00 0.00 C ATOM 436 O GLY A 155 -11.971 0.355 -3.490 1.00 0.00 O ATOM 0 H GLY A 155 -12.794 -0.088 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 155 -14.114 -0.099 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 155 -13.615 1.552 -1.928 1.00 0.00 H new ATOM 440 N GLY A 156 -11.210 -0.636 -1.620 1.00 0.00 N ATOM 441 CA GLY A 156 -10.031 -1.171 -2.278 1.00 0.00 C ATOM 442 C GLY A 156 -8.853 -0.218 -2.223 1.00 0.00 C ATOM 443 O GLY A 156 -8.089 -0.110 -3.182 1.00 0.00 O ATOM 0 H GLY A 156 -11.290 -0.867 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.753 -2.114 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.268 -1.391 -3.319 1.00 0.00 H new ATOM 447 N ARG A 157 -8.707 0.476 -1.099 1.00 0.00 N ATOM 448 CA ARG A 157 -7.614 1.426 -0.923 1.00 0.00 C ATOM 449 C ARG A 157 -6.405 0.752 -0.280 1.00 0.00 C ATOM 450 O ARG A 157 -6.548 -0.063 0.631 1.00 0.00 O ATOM 451 CB ARG A 157 -8.065 2.609 -0.064 1.00 0.00 C ATOM 452 CG ARG A 157 -9.485 3.069 -0.351 1.00 0.00 C ATOM 453 CD ARG A 157 -9.696 4.516 0.063 1.00 0.00 C ATOM 454 NE ARG A 157 -9.197 4.777 1.412 1.00 0.00 N ATOM 455 CZ ARG A 157 -9.341 5.941 2.041 1.00 0.00 C ATOM 456 NH1 ARG A 157 -9.966 6.951 1.451 1.00 0.00 N ATOM 457 NH2 ARG A 157 -8.857 6.094 3.267 1.00 0.00 N ATOM 0 H ARG A 157 -9.332 0.399 -0.296 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.326 1.791 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -7.988 2.333 0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -7.383 3.444 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -9.696 2.959 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -10.190 2.431 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.190 5.173 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -10.758 4.755 0.017 1.00 0.00 H new ATOM 0 HE ARG A 157 -8.711 4.024 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -10.340 6.839 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.072 7.840 1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -8.376 5.320 3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -8.966 6.985 3.751 1.00 0.00 H new ATOM 471 N LEU A 158 -5.215 1.100 -0.759 1.00 0.00 N ATOM 472 CA LEU A 158 -3.982 0.532 -0.227 1.00 0.00 C ATOM 473 C LEU A 158 -3.821 0.879 1.249 1.00 0.00 C ATOM 474 O LEU A 158 -3.933 2.041 1.639 1.00 0.00 O ATOM 475 CB LEU A 158 -2.777 1.045 -1.018 1.00 0.00 C ATOM 476 CG LEU A 158 -1.630 0.044 -1.182 1.00 0.00 C ATOM 477 CD1 LEU A 158 -0.944 -0.211 0.153 1.00 0.00 C ATOM 478 CD2 LEU A 158 -2.139 -1.261 -1.782 1.00 0.00 C ATOM 0 H LEU A 158 -5.079 1.772 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 158 -4.036 -0.552 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -3.116 1.350 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -2.392 1.937 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 158 -0.897 0.473 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -0.132 -0.925 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.542 0.725 0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -1.666 -0.616 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -1.309 -1.959 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -2.894 -1.694 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -2.579 -1.065 -2.760 1.00 0.00 H new ATOM 490 N THR A 159 -3.556 -0.135 2.066 1.00 0.00 N ATOM 491 CA THR A 159 -3.381 0.065 3.500 1.00 0.00 C ATOM 492 C THR A 159 -2.070 -0.548 3.980 1.00 0.00 C ATOM 493 O THR A 159 -1.480 -1.391 3.300 1.00 0.00 O ATOM 494 CB THR A 159 -4.556 -0.542 4.270 1.00 0.00 C ATOM 495 OG1 THR A 159 -5.146 -1.598 3.533 1.00 0.00 O ATOM 496 CG2 THR A 159 -5.645 0.460 4.587 1.00 0.00 C ATOM 0 H THR A 159 -3.458 -1.103 1.760 1.00 0.00 H new ATOM 0 HA THR A 159 -3.349 1.138 3.690 1.00 0.00 H new ATOM 0 HB THR A 159 -4.132 -0.903 5.207 1.00 0.00 H new ATOM 0 HG1 THR A 159 -4.448 -2.094 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 159 -6.448 -0.036 5.133 1.00 0.00 H new ATOM 0 HG22 THR A 159 -5.233 1.264 5.197 1.00 0.00 H new ATOM 0 HG23 THR A 159 -6.040 0.874 3.659 1.00 0.00 H new ATOM 504 N ARG A 160 -1.622 -0.127 5.159 1.00 0.00 N ATOM 505 CA ARG A 160 -0.381 -0.638 5.730 1.00 0.00 C ATOM 506 C ARG A 160 -0.426 -2.157 5.827 1.00 0.00 C ATOM 507 O ARG A 160 0.590 -2.833 5.666 1.00 0.00 O ATOM 508 CB ARG A 160 -0.144 -0.030 7.114 1.00 0.00 C ATOM 509 CG ARG A 160 1.326 0.125 7.467 1.00 0.00 C ATOM 510 CD ARG A 160 1.530 1.146 8.575 1.00 0.00 C ATOM 511 NE ARG A 160 2.662 2.028 8.305 1.00 0.00 N ATOM 512 CZ ARG A 160 3.042 3.016 9.114 1.00 0.00 C ATOM 513 NH1 ARG A 160 2.384 3.248 10.243 1.00 0.00 N ATOM 514 NH2 ARG A 160 4.082 3.773 8.792 1.00 0.00 N ATOM 0 H ARG A 160 -2.099 0.565 5.736 1.00 0.00 H new ATOM 0 HA ARG A 160 0.443 -0.354 5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -0.625 0.947 7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -0.625 -0.657 7.864 1.00 0.00 H new ATOM 0 HG2 ARG A 160 1.729 -0.838 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 160 1.883 0.431 6.582 1.00 0.00 H new ATOM 0 HD2 ARG A 160 0.625 1.743 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 160 1.692 0.628 9.520 1.00 0.00 H new ATOM 0 HE ARG A 160 3.193 1.879 7.447 1.00 0.00 H new ATOM 0 HH11 ARG A 160 1.583 2.669 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 160 2.679 4.006 10.859 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.591 3.599 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 160 4.373 4.530 9.411 1.00 0.00 H new ATOM 528 N GLU A 161 -1.618 -2.688 6.075 1.00 0.00 N ATOM 529 CA GLU A 161 -1.804 -4.127 6.175 1.00 0.00 C ATOM 530 C GLU A 161 -1.539 -4.783 4.825 1.00 0.00 C ATOM 531 O GLU A 161 -0.976 -5.876 4.752 1.00 0.00 O ATOM 532 CB GLU A 161 -3.223 -4.451 6.646 1.00 0.00 C ATOM 533 CG GLU A 161 -3.516 -3.978 8.060 1.00 0.00 C ATOM 534 CD GLU A 161 -2.944 -4.905 9.115 1.00 0.00 C ATOM 535 OE1 GLU A 161 -3.053 -6.137 8.946 1.00 0.00 O ATOM 536 OE2 GLU A 161 -2.385 -4.397 10.111 1.00 0.00 O ATOM 0 H GLU A 161 -2.469 -2.142 6.210 1.00 0.00 H new ATOM 0 HA GLU A 161 -1.097 -4.519 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -3.938 -3.992 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -3.378 -5.529 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -3.104 -2.978 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -4.595 -3.899 8.197 1.00 0.00 H new ATOM 543 N ASP A 162 -1.942 -4.100 3.757 1.00 0.00 N ATOM 544 CA ASP A 162 -1.743 -4.607 2.406 1.00 0.00 C ATOM 545 C ASP A 162 -0.258 -4.666 2.072 1.00 0.00 C ATOM 546 O ASP A 162 0.234 -5.669 1.553 1.00 0.00 O ATOM 547 CB ASP A 162 -2.473 -3.723 1.394 1.00 0.00 C ATOM 548 CG ASP A 162 -3.980 -3.810 1.531 1.00 0.00 C ATOM 549 OD1 ASP A 162 -4.491 -4.924 1.770 1.00 0.00 O ATOM 550 OD2 ASP A 162 -4.649 -2.763 1.400 1.00 0.00 O ATOM 0 H ASP A 162 -2.408 -3.194 3.803 1.00 0.00 H new ATOM 0 HA ASP A 162 -2.153 -5.616 2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -2.158 -2.688 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -2.185 -4.017 0.385 1.00 0.00 H new ATOM 555 N VAL A 163 0.453 -3.585 2.377 1.00 0.00 N ATOM 556 CA VAL A 163 1.884 -3.515 2.112 1.00 0.00 C ATOM 557 C VAL A 163 2.640 -4.551 2.938 1.00 0.00 C ATOM 558 O VAL A 163 3.662 -5.081 2.502 1.00 0.00 O ATOM 559 CB VAL A 163 2.449 -2.116 2.422 1.00 0.00 C ATOM 560 CG1 VAL A 163 3.911 -2.024 2.011 1.00 0.00 C ATOM 561 CG2 VAL A 163 1.626 -1.042 1.727 1.00 0.00 C ATOM 0 H VAL A 163 0.061 -2.747 2.807 1.00 0.00 H new ATOM 0 HA VAL A 163 2.021 -3.723 1.051 1.00 0.00 H new ATOM 0 HB VAL A 163 2.388 -1.952 3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 163 4.291 -1.028 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 163 4.490 -2.767 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 163 4.001 -2.211 0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 163 2.040 -0.060 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 163 1.653 -1.203 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 163 0.594 -1.092 2.075 1.00 0.00 H new ATOM 571 N GLU A 164 2.132 -4.835 4.134 1.00 0.00 N ATOM 572 CA GLU A 164 2.762 -5.809 5.018 1.00 0.00 C ATOM 573 C GLU A 164 2.656 -7.216 4.439 1.00 0.00 C ATOM 574 O GLU A 164 3.646 -7.946 4.376 1.00 0.00 O ATOM 575 CB GLU A 164 2.116 -5.764 6.404 1.00 0.00 C ATOM 576 CG GLU A 164 2.778 -4.777 7.352 1.00 0.00 C ATOM 577 CD GLU A 164 3.456 -5.458 8.525 1.00 0.00 C ATOM 578 OE1 GLU A 164 3.783 -6.657 8.407 1.00 0.00 O ATOM 579 OE2 GLU A 164 3.659 -4.791 9.562 1.00 0.00 O ATOM 0 H GLU A 164 1.288 -4.405 4.512 1.00 0.00 H new ATOM 0 HA GLU A 164 3.817 -5.552 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 164 1.063 -5.502 6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 164 2.153 -6.760 6.846 1.00 0.00 H new ATOM 0 HG2 GLU A 164 3.514 -4.190 6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 164 2.028 -4.080 7.726 1.00 0.00 H new ATOM 586 N LYS A 165 1.453 -7.590 4.014 1.00 0.00 N ATOM 587 CA LYS A 165 1.227 -8.909 3.436 1.00 0.00 C ATOM 588 C LYS A 165 2.017 -9.071 2.142 1.00 0.00 C ATOM 589 O LYS A 165 2.509 -10.157 1.835 1.00 0.00 O ATOM 590 CB LYS A 165 -0.264 -9.128 3.170 1.00 0.00 C ATOM 591 CG LYS A 165 -1.123 -9.095 4.425 1.00 0.00 C ATOM 592 CD LYS A 165 -0.563 -10.000 5.511 1.00 0.00 C ATOM 593 CE LYS A 165 -1.671 -10.612 6.353 1.00 0.00 C ATOM 594 NZ LYS A 165 -2.174 -11.886 5.768 1.00 0.00 N ATOM 0 H LYS A 165 0.622 -7.000 4.059 1.00 0.00 H new ATOM 0 HA LYS A 165 1.571 -9.657 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 165 -0.617 -8.362 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 165 -0.398 -10.090 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 165 -1.184 -8.073 4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 165 -2.139 -9.406 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 165 0.029 -10.793 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 165 0.109 -9.429 6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 165 -1.301 -10.797 7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 165 -2.494 -9.903 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 -2.928 -12.271 6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 -2.551 -11.706 4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 -1.395 -12.572 5.708 1.00 0.00 H new ATOM 608 N TRP A 166 2.135 -7.982 1.390 1.00 0.00 N ATOM 609 CA TRP A 166 2.866 -7.997 0.130 1.00 0.00 C ATOM 610 C TRP A 166 4.366 -8.117 0.375 1.00 0.00 C ATOM 611 O TRP A 166 5.058 -8.878 -0.302 1.00 0.00 O ATOM 612 CB TRP A 166 2.569 -6.728 -0.670 1.00 0.00 C ATOM 613 CG TRP A 166 3.084 -6.777 -2.077 1.00 0.00 C ATOM 614 CD1 TRP A 166 4.240 -6.224 -2.547 1.00 0.00 C ATOM 615 CD2 TRP A 166 2.459 -7.415 -3.197 1.00 0.00 C ATOM 616 NE1 TRP A 166 4.371 -6.479 -3.890 1.00 0.00 N ATOM 617 CE2 TRP A 166 3.291 -7.208 -4.313 1.00 0.00 C ATOM 618 CE3 TRP A 166 1.276 -8.141 -3.363 1.00 0.00 C ATOM 619 CZ2 TRP A 166 2.979 -7.702 -5.576 1.00 0.00 C ATOM 620 CZ3 TRP A 166 0.966 -8.631 -4.619 1.00 0.00 C ATOM 621 CH2 TRP A 166 1.815 -8.411 -5.711 1.00 0.00 C ATOM 0 H TRP A 166 1.733 -7.077 1.633 1.00 0.00 H new ATOM 0 HA TRP A 166 2.538 -8.865 -0.443 1.00 0.00 H new ATOM 0 HB2 TRP A 166 1.492 -6.564 -0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 166 3.011 -5.873 -0.159 1.00 0.00 H new ATOM 0 HD1 TRP A 166 4.948 -5.668 -1.950 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.147 -6.175 -4.478 1.00 0.00 H new ATOM 0 HE3 TRP A 166 0.616 -8.316 -2.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 3.632 -7.532 -6.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 0.054 -9.192 -4.760 1.00 0.00 H new ATOM 0 HH2 TRP A 166 1.546 -8.808 -6.679 1.00 0.00 H new ATOM 632 N LEU A 167 4.864 -7.359 1.347 1.00 0.00 N ATOM 633 CA LEU A 167 6.283 -7.380 1.682 1.00 0.00 C ATOM 634 C LEU A 167 6.715 -8.773 2.127 1.00 0.00 C ATOM 635 O LEU A 167 7.796 -9.244 1.771 1.00 0.00 O ATOM 636 CB LEU A 167 6.584 -6.365 2.785 1.00 0.00 C ATOM 637 CG LEU A 167 6.567 -4.902 2.340 1.00 0.00 C ATOM 638 CD1 LEU A 167 6.338 -3.985 3.531 1.00 0.00 C ATOM 639 CD2 LEU A 167 7.867 -4.547 1.634 1.00 0.00 C ATOM 0 H LEU A 167 4.306 -6.723 1.916 1.00 0.00 H new ATOM 0 HA LEU A 167 6.846 -7.112 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 167 5.855 -6.494 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 167 7.564 -6.589 3.207 1.00 0.00 H new ATOM 0 HG LEU A 167 5.745 -4.764 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 167 6.329 -2.948 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 167 5.382 -4.224 3.996 1.00 0.00 H new ATOM 0 HD13 LEU A 167 7.139 -4.124 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 167 7.839 -3.503 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 167 8.704 -4.701 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 167 7.990 -5.183 0.757 1.00 0.00 H new ATOM 651 N ALA A 168 5.862 -9.426 2.906 1.00 0.00 N ATOM 652 CA ALA A 168 6.150 -10.766 3.403 1.00 0.00 C ATOM 653 C ALA A 168 6.277 -11.761 2.256 1.00 0.00 C ATOM 654 O ALA A 168 7.030 -12.731 2.342 1.00 0.00 O ATOM 655 CB ALA A 168 5.065 -11.211 4.373 1.00 0.00 C ATOM 0 H ALA A 168 4.964 -9.049 3.208 1.00 0.00 H new ATOM 0 HA ALA A 168 7.104 -10.736 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 168 5.291 -12.213 4.737 1.00 0.00 H new ATOM 0 HB2 ALA A 168 5.024 -10.520 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 168 4.102 -11.219 3.863 1.00 0.00 H new ATOM 661 N LYS A 169 5.533 -11.516 1.181 1.00 0.00 N ATOM 662 CA LYS A 169 5.562 -12.393 0.016 1.00 0.00 C ATOM 663 C LYS A 169 6.840 -12.183 -0.793 1.00 0.00 C ATOM 664 O LYS A 169 7.346 -13.111 -1.423 1.00 0.00 O ATOM 665 CB LYS A 169 4.340 -12.142 -0.869 1.00 0.00 C ATOM 666 CG LYS A 169 3.016 -12.339 -0.147 1.00 0.00 C ATOM 667 CD LYS A 169 1.926 -11.452 -0.728 1.00 0.00 C ATOM 668 CE LYS A 169 0.972 -12.244 -1.608 1.00 0.00 C ATOM 669 NZ LYS A 169 -0.436 -11.784 -1.456 1.00 0.00 N ATOM 0 H LYS A 169 4.904 -10.718 1.093 1.00 0.00 H new ATOM 0 HA LYS A 169 5.541 -13.424 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 169 4.385 -11.124 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 169 4.380 -12.812 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 169 2.713 -13.384 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 169 3.142 -12.116 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 169 1.369 -10.981 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 169 2.380 -10.651 -1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 169 1.275 -12.147 -2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 169 1.038 -13.302 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -1.054 -12.349 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -0.734 -11.900 -0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -0.504 -10.781 -1.723 1.00 0.00 H new ATOM 683 N ALA A 170 7.355 -10.957 -0.771 1.00 0.00 N ATOM 684 CA ALA A 170 8.572 -10.628 -1.502 1.00 0.00 C ATOM 685 C ALA A 170 9.780 -10.599 -0.573 1.00 0.00 C ATOM 686 O ALA A 170 10.823 -10.044 -0.977 1.00 0.00 O ATOM 687 CB ALA A 170 8.415 -9.289 -2.208 1.00 0.00 C ATOM 688 OXT ALA A 170 9.673 -11.133 0.552 1.00 0.00 O ATOM 0 H ALA A 170 6.948 -10.177 -0.255 1.00 0.00 H new ATOM 0 HA ALA A 170 8.740 -11.404 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 170 9.331 -9.054 -2.751 1.00 0.00 H new ATOM 0 HB2 ALA A 170 7.582 -9.343 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 170 8.220 -8.510 -1.471 1.00 0.00 H new