USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 589 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 98 SER OG : rot -43:sc= 1.15 USER MOD Set 1.2: A 118 MET CE :methyl -174:sc= -0.192 (180deg=-0.103) USER MOD Set 1.3: A 138 THR OG1 : rot -159:sc= 0.0245 USER MOD Set 1.4: A 165 HIS : no HE2:sc= -1.42 K(o=-0.43,f=-1.1) USER MOD Single : A 96 THR OG1 : rot -9:sc= 0.264 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot 139:sc= -5.28! USER MOD Single : A 123 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.2!) USER MOD Single : A 125 GLN : amide:sc= -0.17 K(o=-0.17,f=-2.2!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -108:sc= -5.3! (180deg=-11.2!) USER MOD Single : A 129 THR OG1 : rot -160:sc= 0 USER MOD Single : A 140 THR OG1 : rot 62:sc= 0.701 USER MOD Single : A 141 HIS : no HE2:sc= -1.18 X(o=-1.2,f=-1.4) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 147 HIS :FLIP no HD1:sc= -0.0287 F(o=-0.7,f=-0.029) USER MOD Single : A 149 CYS SG : rot 180:sc= -5.77! USER MOD Single : A 150 TYR OH : rot 180:sc= -0.391 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= -0.0257 USER MOD Single : A 156 SER OG : rot 48:sc= 0.657 USER MOD Single : A 158 LYS NZ :NH3+ -158:sc= -0.0483 (180deg=-0.304) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 171 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 12.477 2.383 -7.403 1.00 43.41 N ATOM 146 CA THR A 96 11.315 1.516 -7.257 1.00 73.31 C ATOM 147 C THR A 96 10.094 2.305 -6.799 1.00 11.41 C ATOM 148 O THR A 96 10.202 3.216 -5.977 1.00 61.40 O ATOM 149 CB THR A 96 11.585 0.380 -6.253 1.00 12.15 C ATOM 150 OG1 THR A 96 12.949 0.421 -5.821 1.00 42.12 O ATOM 151 CG2 THR A 96 11.284 -0.975 -6.875 1.00 4.21 C ATOM 0 HA THR A 96 11.117 1.084 -8.238 1.00 73.31 H new ATOM 0 HB THR A 96 10.929 0.521 -5.394 1.00 12.15 H new ATOM 0 HG1 THR A 96 13.446 1.065 -6.367 1.00 42.12 H new ATOM 0 HG21 THR A 96 11.482 -1.762 -6.147 1.00 4.21 H new ATOM 0 HG22 THR A 96 10.237 -1.013 -7.175 1.00 4.21 H new ATOM 0 HG23 THR A 96 11.917 -1.122 -7.750 1.00 4.21 H new ATOM 159 N THR A 97 8.930 1.951 -7.336 1.00 22.02 N ATOM 160 CA THR A 97 7.689 2.626 -6.982 1.00 74.04 C ATOM 161 C THR A 97 6.478 1.760 -7.310 1.00 63.14 C ATOM 162 O THR A 97 6.336 1.272 -8.431 1.00 45.53 O ATOM 163 CB THR A 97 7.554 3.974 -7.715 1.00 55.24 C ATOM 164 OG1 THR A 97 8.152 3.888 -9.013 1.00 73.34 O ATOM 165 CG2 THR A 97 8.213 5.091 -6.920 1.00 64.24 C ATOM 0 H THR A 97 8.822 1.200 -8.018 1.00 22.02 H new ATOM 0 HA THR A 97 7.723 2.806 -5.908 1.00 74.04 H new ATOM 0 HB THR A 97 6.493 4.201 -7.819 1.00 55.24 H new ATOM 0 HG1 THR A 97 8.060 4.748 -9.473 1.00 73.34 H new ATOM 0 HG21 THR A 97 8.105 6.033 -7.458 1.00 64.24 H new ATOM 0 HG22 THR A 97 7.735 5.173 -5.944 1.00 64.24 H new ATOM 0 HG23 THR A 97 9.272 4.868 -6.788 1.00 64.24 H new ATOM 173 N SER A 98 5.607 1.570 -6.324 1.00 41.51 N ATOM 174 CA SER A 98 4.409 0.759 -6.508 1.00 4.24 C ATOM 175 C SER A 98 3.165 1.638 -6.592 1.00 70.02 C ATOM 176 O SER A 98 3.136 2.748 -6.059 1.00 23.11 O ATOM 177 CB SER A 98 4.264 -0.240 -5.359 1.00 22.34 C ATOM 178 OG SER A 98 5.006 -1.422 -5.613 1.00 13.45 O ATOM 0 H SER A 98 5.708 1.967 -5.390 1.00 41.51 H new ATOM 0 HA SER A 98 4.510 0.213 -7.446 1.00 4.24 H new ATOM 0 HB2 SER A 98 4.608 0.216 -4.431 1.00 22.34 H new ATOM 0 HB3 SER A 98 3.212 -0.490 -5.221 1.00 22.34 H new ATOM 0 HG SER A 98 4.873 -1.698 -6.544 1.00 13.45 H new ATOM 184 N THR A 99 2.136 1.133 -7.267 1.00 43.31 N ATOM 185 CA THR A 99 0.889 1.871 -7.424 1.00 43.23 C ATOM 186 C THR A 99 -0.314 0.939 -7.345 1.00 72.15 C ATOM 187 O THR A 99 -0.199 -0.260 -7.599 1.00 35.22 O ATOM 188 CB THR A 99 0.850 2.630 -8.764 1.00 4.41 C ATOM 189 OG1 THR A 99 1.683 1.971 -9.724 1.00 70.03 O ATOM 190 CG2 THR A 99 1.313 4.068 -8.585 1.00 43.30 C ATOM 0 H THR A 99 2.142 0.216 -7.713 1.00 43.31 H new ATOM 0 HA THR A 99 0.842 2.591 -6.607 1.00 43.23 H new ATOM 0 HB THR A 99 -0.179 2.639 -9.122 1.00 4.41 H new ATOM 0 HG1 THR A 99 1.652 2.458 -10.574 1.00 70.03 H new ATOM 0 HG21 THR A 99 1.277 4.584 -9.544 1.00 43.30 H new ATOM 0 HG22 THR A 99 0.659 4.575 -7.875 1.00 43.30 H new ATOM 0 HG23 THR A 99 2.335 4.077 -8.207 1.00 43.30 H new ATOM 198 N TRP A 100 -1.467 1.497 -6.994 1.00 4.24 N ATOM 199 CA TRP A 100 -2.693 0.716 -6.883 1.00 65.52 C ATOM 200 C TRP A 100 -3.917 1.579 -7.166 1.00 31.42 C ATOM 201 O TRP A 100 -4.064 2.666 -6.607 1.00 53.12 O ATOM 202 CB TRP A 100 -2.801 0.094 -5.489 1.00 31.12 C ATOM 203 CG TRP A 100 -1.642 -0.791 -5.141 1.00 74.10 C ATOM 204 CD1 TRP A 100 -1.470 -2.096 -5.505 1.00 34.44 C ATOM 205 CD2 TRP A 100 -0.497 -0.435 -4.359 1.00 31.45 C ATOM 206 NE1 TRP A 100 -0.287 -2.573 -4.995 1.00 5.11 N ATOM 207 CE2 TRP A 100 0.329 -1.573 -4.289 1.00 64.44 C ATOM 208 CE3 TRP A 100 -0.089 0.734 -3.712 1.00 0.11 C ATOM 209 CZ2 TRP A 100 1.538 -1.574 -3.598 1.00 61.42 C ATOM 210 CZ3 TRP A 100 1.111 0.732 -3.027 1.00 21.01 C ATOM 211 CH2 TRP A 100 1.913 -0.416 -2.974 1.00 73.21 C ATOM 0 H TRP A 100 -1.578 2.488 -6.781 1.00 4.24 H new ATOM 0 HA TRP A 100 -2.656 -0.080 -7.626 1.00 65.52 H new ATOM 0 HB2 TRP A 100 -2.876 0.890 -4.749 1.00 31.12 H new ATOM 0 HB3 TRP A 100 -3.722 -0.485 -5.428 1.00 31.12 H new ATOM 0 HD1 TRP A 100 -2.162 -2.668 -6.105 1.00 34.44 H new ATOM 0 HE1 TRP A 100 0.074 -3.518 -5.121 1.00 5.11 H new ATOM 0 HE3 TRP A 100 -0.701 1.623 -3.747 1.00 0.11 H new ATOM 0 HZ2 TRP A 100 2.158 -2.458 -3.556 1.00 61.42 H new ATOM 0 HZ3 TRP A 100 1.436 1.631 -2.524 1.00 21.01 H new ATOM 0 HH2 TRP A 100 2.845 -0.386 -2.430 1.00 73.21 H new ATOM 222 N VAL A 101 -4.794 1.088 -8.035 1.00 61.03 N ATOM 223 CA VAL A 101 -6.007 1.815 -8.391 1.00 2.24 C ATOM 224 C VAL A 101 -7.245 1.124 -7.832 1.00 74.50 C ATOM 225 O VAL A 101 -7.577 0.005 -8.227 1.00 44.04 O ATOM 226 CB VAL A 101 -6.152 1.950 -9.918 1.00 53.20 C ATOM 227 CG1 VAL A 101 -7.304 2.882 -10.264 1.00 55.43 C ATOM 228 CG2 VAL A 101 -4.852 2.444 -10.535 1.00 75.33 C ATOM 0 H VAL A 101 -4.687 0.189 -8.506 1.00 61.03 H new ATOM 0 HA VAL A 101 -5.921 2.809 -7.953 1.00 2.24 H new ATOM 0 HB VAL A 101 -6.374 0.967 -10.333 1.00 53.20 H new ATOM 0 HG11 VAL A 101 -7.392 2.966 -11.347 1.00 55.43 H new ATOM 0 HG12 VAL A 101 -8.231 2.482 -9.855 1.00 55.43 H new ATOM 0 HG13 VAL A 101 -7.115 3.867 -9.838 1.00 55.43 H new ATOM 0 HG21 VAL A 101 -4.973 2.534 -11.615 1.00 75.33 H new ATOM 0 HG22 VAL A 101 -4.597 3.418 -10.116 1.00 75.33 H new ATOM 0 HG23 VAL A 101 -4.053 1.735 -10.317 1.00 75.33 H new ATOM 238 N LEU A 102 -7.926 1.796 -6.912 1.00 32.15 N ATOM 239 CA LEU A 102 -9.131 1.247 -6.298 1.00 62.12 C ATOM 240 C LEU A 102 -10.178 2.336 -6.082 1.00 65.32 C ATOM 241 O LEU A 102 -9.840 3.496 -5.845 1.00 74.14 O ATOM 242 CB LEU A 102 -8.789 0.580 -4.965 1.00 15.52 C ATOM 243 CG LEU A 102 -8.432 1.524 -3.815 1.00 65.22 C ATOM 244 CD1 LEU A 102 -9.107 1.076 -2.528 1.00 64.11 C ATOM 245 CD2 LEU A 102 -6.922 1.593 -3.632 1.00 54.31 C ATOM 0 H LEU A 102 -7.665 2.722 -6.574 1.00 32.15 H new ATOM 0 HA LEU A 102 -9.546 0.500 -6.975 1.00 62.12 H new ATOM 0 HB2 LEU A 102 -9.639 -0.030 -4.658 1.00 15.52 H new ATOM 0 HB3 LEU A 102 -7.951 -0.099 -5.125 1.00 15.52 H new ATOM 0 HG LEU A 102 -8.794 2.522 -4.063 1.00 65.22 H new ATOM 0 HD11 LEU A 102 -8.842 1.759 -1.721 1.00 64.11 H new ATOM 0 HD12 LEU A 102 -10.188 1.078 -2.664 1.00 64.11 H new ATOM 0 HD13 LEU A 102 -8.775 0.069 -2.275 1.00 64.11 H new ATOM 0 HD21 LEU A 102 -6.686 2.269 -2.810 1.00 54.31 H new ATOM 0 HD22 LEU A 102 -6.537 0.599 -3.406 1.00 54.31 H new ATOM 0 HD23 LEU A 102 -6.461 1.961 -4.548 1.00 54.31 H new ATOM 257 N ARG A 103 -11.447 1.953 -6.163 1.00 13.42 N ATOM 258 CA ARG A 103 -12.543 2.897 -5.975 1.00 41.41 C ATOM 259 C ARG A 103 -12.707 3.252 -4.501 1.00 53.40 C ATOM 260 O ARG A 103 -13.409 2.563 -3.759 1.00 3.41 O ATOM 261 CB ARG A 103 -13.847 2.311 -6.518 1.00 11.51 C ATOM 262 CG ARG A 103 -14.125 2.681 -7.966 1.00 21.22 C ATOM 263 CD ARG A 103 -15.596 2.510 -8.313 1.00 31.14 C ATOM 264 NE ARG A 103 -15.853 1.249 -9.004 1.00 40.25 N ATOM 265 CZ ARG A 103 -17.021 0.936 -9.552 1.00 52.43 C ATOM 266 NH1 ARG A 103 -18.036 1.788 -9.489 1.00 61.12 N ATOM 267 NH2 ARG A 103 -17.177 -0.229 -10.166 1.00 70.50 N ATOM 0 H ARG A 103 -11.743 0.996 -6.357 1.00 13.42 H new ATOM 0 HA ARG A 103 -12.305 3.807 -6.526 1.00 41.41 H new ATOM 0 HB2 ARG A 103 -13.812 1.225 -6.430 1.00 11.51 H new ATOM 0 HB3 ARG A 103 -14.675 2.655 -5.899 1.00 11.51 H new ATOM 0 HG2 ARG A 103 -13.826 3.714 -8.142 1.00 21.22 H new ATOM 0 HG3 ARG A 103 -13.520 2.058 -8.624 1.00 21.22 H new ATOM 0 HD2 ARG A 103 -16.191 2.551 -7.400 1.00 31.14 H new ATOM 0 HD3 ARG A 103 -15.919 3.340 -8.941 1.00 31.14 H new ATOM 0 HE ARG A 103 -15.093 0.572 -9.069 1.00 40.25 H new ATOM 0 HH11 ARG A 103 -17.920 2.686 -9.019 1.00 61.12 H new ATOM 0 HH12 ARG A 103 -18.932 1.545 -9.911 1.00 61.12 H new ATOM 0 HH21 ARG A 103 -16.399 -0.886 -10.218 1.00 70.50 H new ATOM 0 HH22 ARG A 103 -18.075 -0.468 -10.586 1.00 70.50 H new ATOM 281 N LEU A 104 -12.055 4.332 -4.082 1.00 31.35 N ATOM 282 CA LEU A 104 -12.129 4.780 -2.696 1.00 30.03 C ATOM 283 C LEU A 104 -12.661 6.207 -2.611 1.00 60.04 C ATOM 284 O LEU A 104 -12.490 6.999 -3.538 1.00 21.23 O ATOM 285 CB LEU A 104 -10.750 4.698 -2.039 1.00 52.44 C ATOM 286 CG LEU A 104 -10.729 4.267 -0.572 1.00 72.45 C ATOM 287 CD1 LEU A 104 -9.583 3.299 -0.317 1.00 34.34 C ATOM 288 CD2 LEU A 104 -10.618 5.481 0.339 1.00 23.53 C ATOM 0 H LEU A 104 -11.470 4.913 -4.682 1.00 31.35 H new ATOM 0 HA LEU A 104 -12.818 4.124 -2.165 1.00 30.03 H new ATOM 0 HB2 LEU A 104 -10.138 4.000 -2.611 1.00 52.44 H new ATOM 0 HB3 LEU A 104 -10.274 5.676 -2.116 1.00 52.44 H new ATOM 0 HG LEU A 104 -11.666 3.756 -0.349 1.00 72.45 H new ATOM 0 HD11 LEU A 104 -9.583 3.003 0.732 1.00 34.34 H new ATOM 0 HD12 LEU A 104 -9.707 2.416 -0.943 1.00 34.34 H new ATOM 0 HD13 LEU A 104 -8.637 3.784 -0.557 1.00 34.34 H new ATOM 0 HD21 LEU A 104 -10.604 5.155 1.379 1.00 23.53 H new ATOM 0 HD22 LEU A 104 -9.698 6.021 0.116 1.00 23.53 H new ATOM 0 HD23 LEU A 104 -11.472 6.138 0.176 1.00 23.53 H new ATOM 300 N ASP A 105 -13.303 6.528 -1.494 1.00 33.13 N ATOM 301 CA ASP A 105 -13.858 7.861 -1.287 1.00 64.01 C ATOM 302 C ASP A 105 -14.973 8.147 -2.287 1.00 74.13 C ATOM 303 O ASP A 105 -15.382 9.293 -2.466 1.00 1.41 O ATOM 304 CB ASP A 105 -12.760 8.918 -1.413 1.00 24.12 C ATOM 305 CG ASP A 105 -12.727 9.863 -0.227 1.00 71.13 C ATOM 306 OD1 ASP A 105 -13.657 10.686 -0.098 1.00 65.54 O ATOM 307 OD2 ASP A 105 -11.770 9.779 0.571 1.00 30.44 O ATOM 0 H ASP A 105 -13.452 5.884 -0.717 1.00 33.13 H new ATOM 0 HA ASP A 105 -14.277 7.901 -0.282 1.00 64.01 H new ATOM 0 HB2 ASP A 105 -11.793 8.424 -1.507 1.00 24.12 H new ATOM 0 HB3 ASP A 105 -12.915 9.492 -2.327 1.00 24.12 H new ATOM 312 N GLY A 106 -15.462 7.095 -2.938 1.00 54.34 N ATOM 313 CA GLY A 106 -16.526 7.255 -3.913 1.00 25.32 C ATOM 314 C GLY A 106 -15.997 7.525 -5.308 1.00 13.24 C ATOM 315 O GLY A 106 -16.771 7.695 -6.249 1.00 60.34 O ATOM 0 H GLY A 106 -15.141 6.136 -2.808 1.00 54.34 H new ATOM 0 HA2 GLY A 106 -17.139 6.354 -3.928 1.00 25.32 H new ATOM 0 HA3 GLY A 106 -17.174 8.077 -3.608 1.00 25.32 H new ATOM 319 N GLU A 107 -14.675 7.566 -5.441 1.00 1.11 N ATOM 320 CA GLU A 107 -14.045 7.820 -6.731 1.00 44.41 C ATOM 321 C GLU A 107 -12.817 6.935 -6.921 1.00 62.32 C ATOM 322 O GLU A 107 -12.396 6.233 -6.001 1.00 53.22 O ATOM 323 CB GLU A 107 -13.647 9.293 -6.847 1.00 51.23 C ATOM 324 CG GLU A 107 -14.809 10.212 -7.187 1.00 11.41 C ATOM 325 CD GLU A 107 -14.359 11.499 -7.852 1.00 13.31 C ATOM 326 OE1 GLU A 107 -13.352 11.466 -8.589 1.00 75.01 O ATOM 327 OE2 GLU A 107 -15.017 12.538 -7.635 1.00 53.42 O ATOM 0 H GLU A 107 -14.020 7.427 -4.672 1.00 1.11 H new ATOM 0 HA GLU A 107 -14.767 7.582 -7.512 1.00 44.41 H new ATOM 0 HB2 GLU A 107 -13.203 9.616 -5.906 1.00 51.23 H new ATOM 0 HB3 GLU A 107 -12.879 9.394 -7.613 1.00 51.23 H new ATOM 0 HG2 GLU A 107 -15.500 9.689 -7.847 1.00 11.41 H new ATOM 0 HG3 GLU A 107 -15.358 10.451 -6.276 1.00 11.41 H new ATOM 334 N ASP A 108 -12.248 6.972 -8.121 1.00 73.22 N ATOM 335 CA ASP A 108 -11.069 6.173 -8.433 1.00 5.12 C ATOM 336 C ASP A 108 -9.852 6.678 -7.665 1.00 20.12 C ATOM 337 O ASP A 108 -9.112 7.537 -8.146 1.00 32.11 O ATOM 338 CB ASP A 108 -10.788 6.205 -9.936 1.00 32.00 C ATOM 339 CG ASP A 108 -10.755 7.617 -10.489 1.00 63.31 C ATOM 340 OD1 ASP A 108 -11.836 8.229 -10.615 1.00 45.04 O ATOM 341 OD2 ASP A 108 -9.649 8.108 -10.796 1.00 2.41 O ATOM 0 H ASP A 108 -12.584 7.547 -8.894 1.00 73.22 H new ATOM 0 HA ASP A 108 -11.267 5.145 -8.130 1.00 5.12 H new ATOM 0 HB2 ASP A 108 -9.833 5.718 -10.135 1.00 32.00 H new ATOM 0 HB3 ASP A 108 -11.554 5.631 -10.458 1.00 32.00 H new ATOM 346 N LEU A 109 -9.650 6.139 -6.467 1.00 62.10 N ATOM 347 CA LEU A 109 -8.522 6.535 -5.630 1.00 53.35 C ATOM 348 C LEU A 109 -7.237 5.858 -6.094 1.00 3.44 C ATOM 349 O LEU A 109 -7.189 4.640 -6.258 1.00 23.24 O ATOM 350 CB LEU A 109 -8.800 6.184 -4.168 1.00 4.23 C ATOM 351 CG LEU A 109 -7.998 6.967 -3.126 1.00 71.15 C ATOM 352 CD1 LEU A 109 -8.910 7.895 -2.339 1.00 42.21 C ATOM 353 CD2 LEU A 109 -7.268 6.015 -2.190 1.00 64.43 C ATOM 0 H LEU A 109 -10.252 5.427 -6.054 1.00 62.10 H new ATOM 0 HA LEU A 109 -8.394 7.614 -5.719 1.00 53.35 H new ATOM 0 HB2 LEU A 109 -9.861 6.340 -3.973 1.00 4.23 H new ATOM 0 HB3 LEU A 109 -8.603 5.121 -4.026 1.00 4.23 H new ATOM 0 HG LEU A 109 -7.257 7.574 -3.646 1.00 71.15 H new ATOM 0 HD11 LEU A 109 -8.323 8.444 -1.603 1.00 42.21 H new ATOM 0 HD12 LEU A 109 -9.388 8.599 -3.020 1.00 42.21 H new ATOM 0 HD13 LEU A 109 -9.674 7.308 -1.829 1.00 42.21 H new ATOM 0 HD21 LEU A 109 -6.703 6.589 -1.456 1.00 64.43 H new ATOM 0 HD22 LEU A 109 -7.992 5.382 -1.677 1.00 64.43 H new ATOM 0 HD23 LEU A 109 -6.585 5.391 -2.766 1.00 64.43 H new ATOM 365 N ARG A 110 -6.195 6.658 -6.300 1.00 44.11 N ATOM 366 CA ARG A 110 -4.907 6.135 -6.742 1.00 1.51 C ATOM 367 C ARG A 110 -3.891 6.159 -5.604 1.00 43.32 C ATOM 368 O ARG A 110 -3.574 7.218 -5.063 1.00 44.04 O ATOM 369 CB ARG A 110 -4.382 6.950 -7.926 1.00 14.33 C ATOM 370 CG ARG A 110 -3.974 6.099 -9.117 1.00 54.45 C ATOM 371 CD ARG A 110 -4.236 6.819 -10.432 1.00 15.23 C ATOM 372 NE ARG A 110 -3.243 6.480 -11.448 1.00 12.31 N ATOM 373 CZ ARG A 110 -2.019 6.993 -11.478 1.00 43.23 C ATOM 374 NH1 ARG A 110 -1.636 7.862 -10.553 1.00 54.12 N ATOM 375 NH2 ARG A 110 -1.172 6.636 -12.436 1.00 23.23 N ATOM 0 H ARG A 110 -6.217 7.669 -6.168 1.00 44.11 H new ATOM 0 HA ARG A 110 -5.051 5.101 -7.056 1.00 1.51 H new ATOM 0 HB2 ARG A 110 -5.151 7.655 -8.240 1.00 14.33 H new ATOM 0 HB3 ARG A 110 -3.524 7.538 -7.600 1.00 14.33 H new ATOM 0 HG2 ARG A 110 -2.916 5.850 -9.042 1.00 54.45 H new ATOM 0 HG3 ARG A 110 -4.525 5.159 -9.100 1.00 54.45 H new ATOM 0 HD2 ARG A 110 -5.230 6.559 -10.796 1.00 15.23 H new ATOM 0 HD3 ARG A 110 -4.229 7.896 -10.263 1.00 15.23 H new ATOM 0 HE ARG A 110 -3.504 5.813 -12.174 1.00 12.31 H new ATOM 0 HH11 ARG A 110 -2.283 8.139 -9.814 1.00 54.12 H new ATOM 0 HH12 ARG A 110 -0.695 8.254 -10.580 1.00 54.12 H new ATOM 0 HH21 ARG A 110 -1.462 5.967 -13.150 1.00 23.23 H new ATOM 0 HH22 ARG A 110 -0.232 7.031 -12.458 1.00 23.23 H new ATOM 389 N VAL A 111 -3.384 4.983 -5.247 1.00 2.40 N ATOM 390 CA VAL A 111 -2.403 4.869 -4.174 1.00 31.53 C ATOM 391 C VAL A 111 -1.015 4.571 -4.728 1.00 43.03 C ATOM 392 O VAL A 111 -0.867 3.826 -5.697 1.00 50.41 O ATOM 393 CB VAL A 111 -2.792 3.764 -3.174 1.00 3.30 C ATOM 394 CG1 VAL A 111 -2.596 4.245 -1.744 1.00 34.12 C ATOM 395 CG2 VAL A 111 -4.229 3.319 -3.404 1.00 45.51 C ATOM 0 H VAL A 111 -3.636 4.097 -5.685 1.00 2.40 H new ATOM 0 HA VAL A 111 -2.386 5.828 -3.657 1.00 31.53 H new ATOM 0 HB VAL A 111 -2.140 2.906 -3.336 1.00 3.30 H new ATOM 0 HG11 VAL A 111 -2.876 3.451 -1.052 1.00 34.12 H new ATOM 0 HG12 VAL A 111 -1.550 4.509 -1.589 1.00 34.12 H new ATOM 0 HG13 VAL A 111 -3.222 5.120 -1.565 1.00 34.12 H new ATOM 0 HG21 VAL A 111 -4.487 2.538 -2.689 1.00 45.51 H new ATOM 0 HG22 VAL A 111 -4.899 4.169 -3.271 1.00 45.51 H new ATOM 0 HG23 VAL A 111 -4.332 2.931 -4.417 1.00 45.51 H new ATOM 405 N VAL A 112 0.003 5.159 -4.107 1.00 63.53 N ATOM 406 CA VAL A 112 1.382 4.955 -4.537 1.00 4.20 C ATOM 407 C VAL A 112 2.301 4.719 -3.344 1.00 32.34 C ATOM 408 O VAL A 112 2.088 5.271 -2.264 1.00 22.12 O ATOM 409 CB VAL A 112 1.903 6.161 -5.341 1.00 1.21 C ATOM 410 CG1 VAL A 112 3.316 5.901 -5.840 1.00 55.11 C ATOM 411 CG2 VAL A 112 0.968 6.472 -6.500 1.00 14.12 C ATOM 0 H VAL A 112 -0.101 5.780 -3.305 1.00 63.53 H new ATOM 0 HA VAL A 112 1.387 4.072 -5.176 1.00 4.20 H new ATOM 0 HB VAL A 112 1.931 7.029 -4.683 1.00 1.21 H new ATOM 0 HG11 VAL A 112 3.667 6.764 -6.406 1.00 55.11 H new ATOM 0 HG12 VAL A 112 3.977 5.732 -4.990 1.00 55.11 H new ATOM 0 HG13 VAL A 112 3.319 5.021 -6.483 1.00 55.11 H new ATOM 0 HG21 VAL A 112 1.351 7.327 -7.057 1.00 14.12 H new ATOM 0 HG22 VAL A 112 0.906 5.607 -7.160 1.00 14.12 H new ATOM 0 HG23 VAL A 112 -0.024 6.706 -6.114 1.00 14.12 H new ATOM 421 N LEU A 113 3.323 3.895 -3.546 1.00 1.32 N ATOM 422 CA LEU A 113 4.276 3.585 -2.486 1.00 3.02 C ATOM 423 C LEU A 113 5.709 3.804 -2.962 1.00 43.00 C ATOM 424 O LEU A 113 6.274 2.967 -3.666 1.00 31.33 O ATOM 425 CB LEU A 113 4.097 2.139 -2.019 1.00 0.22 C ATOM 426 CG LEU A 113 5.167 1.605 -1.065 1.00 73.20 C ATOM 427 CD1 LEU A 113 5.586 2.680 -0.076 1.00 14.25 C ATOM 428 CD2 LEU A 113 4.660 0.371 -0.332 1.00 35.21 C ATOM 0 H LEU A 113 3.513 3.430 -4.434 1.00 1.32 H new ATOM 0 HA LEU A 113 4.083 4.257 -1.650 1.00 3.02 H new ATOM 0 HB2 LEU A 113 3.127 2.054 -1.529 1.00 0.22 H new ATOM 0 HB3 LEU A 113 4.068 1.495 -2.898 1.00 0.22 H new ATOM 0 HG LEU A 113 6.040 1.321 -1.652 1.00 73.20 H new ATOM 0 HD11 LEU A 113 6.348 2.281 0.594 1.00 14.25 H new ATOM 0 HD12 LEU A 113 5.991 3.535 -0.618 1.00 14.25 H new ATOM 0 HD13 LEU A 113 4.720 2.996 0.506 1.00 14.25 H new ATOM 0 HD21 LEU A 113 5.434 0.005 0.342 1.00 35.21 H new ATOM 0 HD22 LEU A 113 3.771 0.629 0.243 1.00 35.21 H new ATOM 0 HD23 LEU A 113 4.412 -0.406 -1.055 1.00 35.21 H new ATOM 440 N GLU A 114 6.292 4.933 -2.569 1.00 61.42 N ATOM 441 CA GLU A 114 7.659 5.259 -2.955 1.00 40.52 C ATOM 442 C GLU A 114 8.663 4.485 -2.106 1.00 44.25 C ATOM 443 O GLU A 114 8.660 4.579 -0.878 1.00 73.34 O ATOM 444 CB GLU A 114 7.907 6.763 -2.814 1.00 11.02 C ATOM 445 CG GLU A 114 8.366 7.428 -4.100 1.00 44.21 C ATOM 446 CD GLU A 114 7.624 8.718 -4.387 1.00 21.00 C ATOM 447 OE1 GLU A 114 7.605 9.602 -3.506 1.00 21.45 O ATOM 448 OE2 GLU A 114 7.062 8.845 -5.496 1.00 61.30 O ATOM 0 H GLU A 114 5.839 5.636 -1.985 1.00 61.42 H new ATOM 0 HA GLU A 114 7.794 4.972 -3.998 1.00 40.52 H new ATOM 0 HB2 GLU A 114 6.990 7.243 -2.474 1.00 11.02 H new ATOM 0 HB3 GLU A 114 8.658 6.928 -2.042 1.00 11.02 H new ATOM 0 HG2 GLU A 114 9.434 7.634 -4.037 1.00 44.21 H new ATOM 0 HG3 GLU A 114 8.223 6.738 -4.932 1.00 44.21 H new ATOM 455 N LYS A 115 9.524 3.720 -2.769 1.00 43.44 N ATOM 456 CA LYS A 115 10.536 2.930 -2.079 1.00 21.50 C ATOM 457 C LYS A 115 11.515 3.830 -1.333 1.00 2.43 C ATOM 458 O LYS A 115 12.255 3.372 -0.462 1.00 42.15 O ATOM 459 CB LYS A 115 11.294 2.050 -3.076 1.00 13.51 C ATOM 460 CG LYS A 115 12.315 2.811 -3.903 1.00 65.51 C ATOM 461 CD LYS A 115 13.736 2.423 -3.529 1.00 22.21 C ATOM 462 CE LYS A 115 14.726 3.521 -3.889 1.00 62.40 C ATOM 463 NZ LYS A 115 16.137 3.063 -3.747 1.00 50.21 N ATOM 0 H LYS A 115 9.541 3.631 -3.785 1.00 43.44 H new ATOM 0 HA LYS A 115 10.030 2.293 -1.353 1.00 21.50 H new ATOM 0 HB2 LYS A 115 11.801 1.253 -2.532 1.00 13.51 H new ATOM 0 HB3 LYS A 115 10.578 1.574 -3.746 1.00 13.51 H new ATOM 0 HG2 LYS A 115 12.149 2.611 -4.962 1.00 65.51 H new ATOM 0 HG3 LYS A 115 12.179 3.882 -3.756 1.00 65.51 H new ATOM 0 HD2 LYS A 115 13.789 2.220 -2.459 1.00 22.21 H new ATOM 0 HD3 LYS A 115 14.010 1.502 -4.043 1.00 22.21 H new ATOM 0 HE2 LYS A 115 14.551 3.846 -4.915 1.00 62.40 H new ATOM 0 HE3 LYS A 115 14.558 4.386 -3.247 1.00 62.40 H new ATOM 0 HZ1 LYS A 115 16.781 3.839 -4.001 1.00 50.21 H new ATOM 0 HZ2 LYS A 115 16.312 2.776 -2.763 1.00 50.21 H new ATOM 0 HZ3 LYS A 115 16.304 2.253 -4.378 1.00 50.21 H new ATOM 477 N ASP A 116 11.512 5.113 -1.678 1.00 12.50 N ATOM 478 CA ASP A 116 12.398 6.079 -1.039 1.00 21.30 C ATOM 479 C ASP A 116 12.284 5.999 0.480 1.00 20.44 C ATOM 480 O ASP A 116 13.278 5.799 1.179 1.00 4.12 O ATOM 481 CB ASP A 116 12.070 7.496 -1.513 1.00 4.21 C ATOM 482 CG ASP A 116 13.108 8.038 -2.476 1.00 3.22 C ATOM 483 OD1 ASP A 116 13.379 7.370 -3.496 1.00 74.12 O ATOM 484 OD2 ASP A 116 13.650 9.131 -2.210 1.00 43.21 O ATOM 0 H ASP A 116 10.906 5.508 -2.397 1.00 12.50 H new ATOM 0 HA ASP A 116 13.423 5.837 -1.322 1.00 21.30 H new ATOM 0 HB2 ASP A 116 11.093 7.497 -1.997 1.00 4.21 H new ATOM 0 HB3 ASP A 116 11.999 8.158 -0.650 1.00 4.21 H new ATOM 489 N THR A 117 11.065 6.157 0.986 1.00 31.01 N ATOM 490 CA THR A 117 10.820 6.105 2.423 1.00 53.24 C ATOM 491 C THR A 117 9.611 5.234 2.743 1.00 52.11 C ATOM 492 O THR A 117 9.055 5.307 3.838 1.00 4.35 O ATOM 493 CB THR A 117 10.595 7.512 3.005 1.00 0.30 C ATOM 494 OG1 THR A 117 9.724 8.264 2.151 1.00 65.45 O ATOM 495 CG2 THR A 117 11.916 8.250 3.166 1.00 33.40 C ATOM 0 H THR A 117 10.231 6.322 0.422 1.00 31.01 H new ATOM 0 HA THR A 117 11.708 5.669 2.880 1.00 53.24 H new ATOM 0 HB THR A 117 10.135 7.404 3.987 1.00 0.30 H new ATOM 0 HG1 THR A 117 9.585 9.157 2.530 1.00 65.45 H new ATOM 0 HG21 THR A 117 11.731 9.242 3.579 1.00 33.40 H new ATOM 0 HG22 THR A 117 12.565 7.691 3.841 1.00 33.40 H new ATOM 0 HG23 THR A 117 12.400 8.346 2.194 1.00 33.40 H new ATOM 503 N MET A 118 9.207 4.411 1.781 1.00 43.12 N ATOM 504 CA MET A 118 8.064 3.525 1.962 1.00 13.12 C ATOM 505 C MET A 118 6.806 4.322 2.292 1.00 2.55 C ATOM 506 O MET A 118 5.874 3.802 2.907 1.00 40.23 O ATOM 507 CB MET A 118 8.347 2.513 3.075 1.00 71.12 C ATOM 508 CG MET A 118 9.190 1.332 2.621 1.00 35.12 C ATOM 509 SD MET A 118 8.982 -0.115 3.677 1.00 42.42 S ATOM 510 CE MET A 118 8.002 -1.172 2.614 1.00 63.10 C ATOM 0 H MET A 118 9.655 4.340 0.867 1.00 43.12 H new ATOM 0 HA MET A 118 7.899 2.989 1.027 1.00 13.12 H new ATOM 0 HB2 MET A 118 8.857 3.019 3.895 1.00 71.12 H new ATOM 0 HB3 MET A 118 7.400 2.143 3.469 1.00 71.12 H new ATOM 0 HG2 MET A 118 8.922 1.071 1.597 1.00 35.12 H new ATOM 0 HG3 MET A 118 10.241 1.622 2.612 1.00 35.12 H new ATOM 0 HE1 MET A 118 7.701 -2.063 3.165 1.00 63.10 H new ATOM 0 HE2 MET A 118 7.115 -0.633 2.283 1.00 63.10 H new ATOM 0 HE3 MET A 118 8.594 -1.465 1.747 1.00 63.10 H new ATOM 520 N ASP A 119 6.786 5.585 1.882 1.00 42.20 N ATOM 521 CA ASP A 119 5.643 6.454 2.133 1.00 34.23 C ATOM 522 C ASP A 119 4.492 6.124 1.187 1.00 22.12 C ATOM 523 O ASP A 119 4.709 5.771 0.028 1.00 32.44 O ATOM 524 CB ASP A 119 6.044 7.921 1.976 1.00 21.31 C ATOM 525 CG ASP A 119 5.286 8.834 2.920 1.00 71.44 C ATOM 526 OD1 ASP A 119 4.093 8.565 3.172 1.00 53.43 O ATOM 527 OD2 ASP A 119 5.885 9.816 3.405 1.00 63.41 O ATOM 0 H ASP A 119 7.550 6.030 1.373 1.00 42.20 H new ATOM 0 HA ASP A 119 5.309 6.286 3.157 1.00 34.23 H new ATOM 0 HB2 ASP A 119 7.114 8.023 2.158 1.00 21.31 H new ATOM 0 HB3 ASP A 119 5.864 8.236 0.948 1.00 21.31 H new ATOM 532 N VAL A 120 3.267 6.241 1.690 1.00 70.00 N ATOM 533 CA VAL A 120 2.082 5.956 0.890 1.00 12.04 C ATOM 534 C VAL A 120 1.378 7.242 0.472 1.00 12.40 C ATOM 535 O VAL A 120 0.918 8.012 1.316 1.00 42.33 O ATOM 536 CB VAL A 120 1.086 5.067 1.659 1.00 62.40 C ATOM 537 CG1 VAL A 120 -0.149 4.793 0.815 1.00 42.21 C ATOM 538 CG2 VAL A 120 1.752 3.765 2.082 1.00 11.01 C ATOM 0 H VAL A 120 3.070 6.531 2.648 1.00 70.00 H new ATOM 0 HA VAL A 120 2.422 5.425 0.001 1.00 12.04 H new ATOM 0 HB VAL A 120 0.771 5.598 2.558 1.00 62.40 H new ATOM 0 HG11 VAL A 120 -0.840 4.164 1.375 1.00 42.21 H new ATOM 0 HG12 VAL A 120 -0.636 5.736 0.567 1.00 42.21 H new ATOM 0 HG13 VAL A 120 0.143 4.283 -0.103 1.00 42.21 H new ATOM 0 HG21 VAL A 120 1.035 3.149 2.624 1.00 11.01 H new ATOM 0 HG22 VAL A 120 2.096 3.228 1.198 1.00 11.01 H new ATOM 0 HG23 VAL A 120 2.603 3.984 2.727 1.00 11.01 H new ATOM 548 N TRP A 121 1.298 7.468 -0.834 1.00 51.03 N ATOM 549 CA TRP A 121 0.649 8.662 -1.365 1.00 72.01 C ATOM 550 C TRP A 121 -0.780 8.357 -1.799 1.00 61.20 C ATOM 551 O TRP A 121 -1.037 7.348 -2.457 1.00 41.14 O ATOM 552 CB TRP A 121 1.447 9.218 -2.546 1.00 12.11 C ATOM 553 CG TRP A 121 1.324 10.704 -2.698 1.00 23.02 C ATOM 554 CD1 TRP A 121 0.623 11.555 -1.893 1.00 2.15 C ATOM 555 CD2 TRP A 121 1.918 11.513 -3.719 1.00 23.44 C ATOM 556 NE1 TRP A 121 0.745 12.844 -2.351 1.00 14.12 N ATOM 557 CE2 TRP A 121 1.535 12.845 -3.470 1.00 40.31 C ATOM 558 CE3 TRP A 121 2.737 11.241 -4.818 1.00 1.31 C ATOM 559 CZ2 TRP A 121 1.943 13.900 -4.282 1.00 2.33 C ATOM 560 CZ3 TRP A 121 3.141 12.290 -5.622 1.00 64.24 C ATOM 561 CH2 TRP A 121 2.745 13.606 -5.351 1.00 4.03 C ATOM 0 H TRP A 121 1.674 6.841 -1.545 1.00 51.03 H new ATOM 0 HA TRP A 121 0.616 9.411 -0.573 1.00 72.01 H new ATOM 0 HB2 TRP A 121 2.498 8.959 -2.420 1.00 12.11 H new ATOM 0 HB3 TRP A 121 1.108 8.737 -3.463 1.00 12.11 H new ATOM 0 HD1 TRP A 121 0.056 11.258 -1.023 1.00 2.15 H new ATOM 0 HE1 TRP A 121 0.317 13.667 -1.927 1.00 14.12 H new ATOM 0 HE3 TRP A 121 3.048 10.230 -5.035 1.00 1.31 H new ATOM 0 HZ2 TRP A 121 1.637 14.915 -4.075 1.00 2.33 H new ATOM 0 HZ3 TRP A 121 3.773 12.092 -6.475 1.00 64.24 H new ATOM 0 HH2 TRP A 121 3.079 14.404 -5.998 1.00 4.03 H new ATOM 572 N CYS A 122 -1.706 9.234 -1.428 1.00 20.01 N ATOM 573 CA CYS A 122 -3.111 9.058 -1.780 1.00 51.21 C ATOM 574 C CYS A 122 -3.689 10.340 -2.371 1.00 45.24 C ATOM 575 O CYS A 122 -3.987 11.289 -1.647 1.00 33.31 O ATOM 576 CB CYS A 122 -3.917 8.640 -0.550 1.00 13.42 C ATOM 577 SG CYS A 122 -4.425 6.905 -0.553 1.00 75.25 S ATOM 0 H CYS A 122 -1.510 10.074 -0.884 1.00 20.01 H new ATOM 0 HA CYS A 122 -3.176 8.272 -2.532 1.00 51.21 H new ATOM 0 HB2 CYS A 122 -3.322 8.831 0.343 1.00 13.42 H new ATOM 0 HB3 CYS A 122 -4.806 9.267 -0.481 1.00 13.42 H new ATOM 0 HG CYS A 122 -4.287 6.410 0.641 1.00 75.25 H new ATOM 583 N ASN A 123 -3.841 10.360 -3.691 1.00 23.02 N ATOM 584 CA ASN A 123 -4.380 11.527 -4.379 1.00 73.52 C ATOM 585 C ASN A 123 -3.737 12.810 -3.864 1.00 22.23 C ATOM 586 O ASN A 123 -4.382 13.616 -3.195 1.00 24.11 O ATOM 587 CB ASN A 123 -5.899 11.596 -4.198 1.00 3.13 C ATOM 588 CG ASN A 123 -6.648 10.889 -5.311 1.00 44.34 C ATOM 589 OD1 ASN A 123 -6.231 10.919 -6.469 1.00 71.33 O ATOM 590 ND2 ASN A 123 -7.758 10.249 -4.964 1.00 0.41 N ATOM 0 H ASN A 123 -3.599 9.582 -4.305 1.00 23.02 H new ATOM 0 HA ASN A 123 -4.151 11.429 -5.440 1.00 73.52 H new ATOM 0 HB2 ASN A 123 -6.169 11.148 -3.241 1.00 3.13 H new ATOM 0 HB3 ASN A 123 -6.210 12.640 -4.161 1.00 3.13 H new ATOM 0 HD21 ASN A 123 -8.304 9.755 -5.670 1.00 0.41 H new ATOM 0 HD22 ASN A 123 -8.065 10.251 -3.991 1.00 0.41 H new ATOM 597 N GLY A 124 -2.458 12.993 -4.180 1.00 22.13 N ATOM 598 CA GLY A 124 -1.747 14.180 -3.741 1.00 70.40 C ATOM 599 C GLY A 124 -1.941 14.457 -2.263 1.00 20.22 C ATOM 600 O GLY A 124 -2.114 15.607 -1.860 1.00 21.14 O ATOM 0 H GLY A 124 -1.902 12.340 -4.732 1.00 22.13 H new ATOM 0 HA2 GLY A 124 -0.684 14.061 -3.949 1.00 70.40 H new ATOM 0 HA3 GLY A 124 -2.090 15.039 -4.317 1.00 70.40 H new ATOM 604 N GLN A 125 -1.913 13.402 -1.455 1.00 54.23 N ATOM 605 CA GLN A 125 -2.090 13.539 -0.015 1.00 64.11 C ATOM 606 C GLN A 125 -1.326 12.451 0.734 1.00 53.15 C ATOM 607 O GLN A 125 -1.633 11.265 0.609 1.00 3.20 O ATOM 608 CB GLN A 125 -3.575 13.477 0.347 1.00 23.22 C ATOM 609 CG GLN A 125 -4.051 14.663 1.170 1.00 24.42 C ATOM 610 CD GLN A 125 -5.534 14.932 1.004 1.00 62.44 C ATOM 611 OE1 GLN A 125 -6.179 14.383 0.109 1.00 23.54 O ATOM 612 NE2 GLN A 125 -6.082 15.779 1.865 1.00 31.12 N ATOM 0 H GLN A 125 -1.769 12.444 -1.773 1.00 54.23 H new ATOM 0 HA GLN A 125 -1.691 14.509 0.283 1.00 64.11 H new ATOM 0 HB2 GLN A 125 -4.162 13.423 -0.570 1.00 23.22 H new ATOM 0 HB3 GLN A 125 -3.767 12.559 0.903 1.00 23.22 H new ATOM 0 HG2 GLN A 125 -3.835 14.480 2.223 1.00 24.42 H new ATOM 0 HG3 GLN A 125 -3.490 15.551 0.879 1.00 24.42 H new ATOM 0 HE21 GLN A 125 -5.509 16.210 2.591 1.00 31.12 H new ATOM 0 HE22 GLN A 125 -7.076 15.999 1.802 1.00 31.12 H new ATOM 621 N LYS A 126 -0.331 12.861 1.510 1.00 4.44 N ATOM 622 CA LYS A 126 0.478 11.923 2.279 1.00 1.25 C ATOM 623 C LYS A 126 -0.404 11.025 3.141 1.00 75.40 C ATOM 624 O LYS A 126 -1.570 11.335 3.387 1.00 62.01 O ATOM 625 CB LYS A 126 1.471 12.679 3.164 1.00 1.42 C ATOM 626 CG LYS A 126 2.853 12.815 2.548 1.00 52.44 C ATOM 627 CD LYS A 126 3.112 14.235 2.069 1.00 74.23 C ATOM 628 CE LYS A 126 4.537 14.401 1.564 1.00 55.15 C ATOM 629 NZ LYS A 126 5.484 14.713 2.669 1.00 64.21 N ATOM 0 H LYS A 126 -0.064 13.839 1.624 1.00 4.44 H new ATOM 0 HA LYS A 126 1.030 11.298 1.577 1.00 1.25 H new ATOM 0 HB2 LYS A 126 1.076 13.673 3.372 1.00 1.42 H new ATOM 0 HB3 LYS A 126 1.558 12.164 4.121 1.00 1.42 H new ATOM 0 HG2 LYS A 126 3.609 12.534 3.281 1.00 52.44 H new ATOM 0 HG3 LYS A 126 2.949 12.124 1.710 1.00 52.44 H new ATOM 0 HD2 LYS A 126 2.411 14.485 1.273 1.00 74.23 H new ATOM 0 HD3 LYS A 126 2.930 14.934 2.885 1.00 74.23 H new ATOM 0 HE2 LYS A 126 4.853 13.487 1.062 1.00 55.15 H new ATOM 0 HE3 LYS A 126 4.569 15.199 0.822 1.00 55.15 H new ATOM 0 HZ1 LYS A 126 6.444 14.819 2.284 1.00 64.21 H new ATOM 0 HZ2 LYS A 126 5.197 15.599 3.132 1.00 64.21 H new ATOM 0 HZ3 LYS A 126 5.473 13.940 3.364 1.00 64.21 H new ATOM 643 N MET A 127 0.160 9.911 3.597 1.00 4.45 N ATOM 644 CA MET A 127 -0.575 8.969 4.434 1.00 51.01 C ATOM 645 C MET A 127 0.184 8.679 5.724 1.00 3.40 C ATOM 646 O MET A 127 1.364 9.008 5.846 1.00 23.13 O ATOM 647 CB MET A 127 -0.827 7.666 3.672 1.00 62.13 C ATOM 648 CG MET A 127 -1.730 7.835 2.461 1.00 73.42 C ATOM 649 SD MET A 127 -3.476 7.631 2.863 1.00 31.30 S ATOM 650 CE MET A 127 -3.495 5.933 3.434 1.00 35.12 C ATOM 0 H MET A 127 1.123 9.639 3.401 1.00 4.45 H new ATOM 0 HA MET A 127 -1.532 9.422 4.692 1.00 51.01 H new ATOM 0 HB2 MET A 127 0.129 7.254 3.348 1.00 62.13 H new ATOM 0 HB3 MET A 127 -1.274 6.939 4.350 1.00 62.13 H new ATOM 0 HG2 MET A 127 -1.573 8.824 2.031 1.00 73.42 H new ATOM 0 HG3 MET A 127 -1.449 7.108 1.699 1.00 73.42 H new ATOM 0 HE1 MET A 127 -3.986 5.305 2.691 1.00 35.12 H new ATOM 0 HE2 MET A 127 -2.472 5.588 3.583 1.00 35.12 H new ATOM 0 HE3 MET A 127 -4.039 5.872 4.376 1.00 35.12 H new ATOM 660 N GLU A 128 -0.499 8.063 6.682 1.00 24.35 N ATOM 661 CA GLU A 128 0.113 7.731 7.964 1.00 61.23 C ATOM 662 C GLU A 128 0.096 6.224 8.200 1.00 22.11 C ATOM 663 O GLU A 128 -0.949 5.640 8.488 1.00 31.32 O ATOM 664 CB GLU A 128 -0.616 8.445 9.104 1.00 42.33 C ATOM 665 CG GLU A 128 0.155 9.624 9.674 1.00 33.35 C ATOM 666 CD GLU A 128 -0.248 9.948 11.100 1.00 20.13 C ATOM 667 OE1 GLU A 128 -1.409 10.358 11.310 1.00 74.14 O ATOM 668 OE2 GLU A 128 0.597 9.793 12.006 1.00 64.42 O ATOM 0 H GLU A 128 -1.476 7.783 6.596 1.00 24.35 H new ATOM 0 HA GLU A 128 1.150 8.067 7.940 1.00 61.23 H new ATOM 0 HB2 GLU A 128 -1.583 8.794 8.743 1.00 42.33 H new ATOM 0 HB3 GLU A 128 -0.813 7.730 9.903 1.00 42.33 H new ATOM 0 HG2 GLU A 128 1.222 9.405 9.642 1.00 33.35 H new ATOM 0 HG3 GLU A 128 -0.010 10.499 9.046 1.00 33.35 H new ATOM 675 N THR A 129 1.263 5.598 8.077 1.00 32.41 N ATOM 676 CA THR A 129 1.383 4.158 8.275 1.00 13.42 C ATOM 677 C THR A 129 1.827 3.834 9.697 1.00 42.43 C ATOM 678 O THR A 129 1.954 4.726 10.536 1.00 51.14 O ATOM 679 CB THR A 129 2.381 3.536 7.281 1.00 24.05 C ATOM 680 OG1 THR A 129 3.720 3.894 7.644 1.00 52.21 O ATOM 681 CG2 THR A 129 2.093 4.000 5.862 1.00 61.15 C ATOM 0 H THR A 129 2.138 6.066 7.841 1.00 32.41 H new ATOM 0 HA THR A 129 0.396 3.731 8.101 1.00 13.42 H new ATOM 0 HB THR A 129 2.271 2.452 7.320 1.00 24.05 H new ATOM 0 HG1 THR A 129 4.310 3.780 6.870 1.00 52.21 H new ATOM 0 HG21 THR A 129 2.811 3.547 5.178 1.00 61.15 H new ATOM 0 HG22 THR A 129 1.084 3.700 5.579 1.00 61.15 H new ATOM 0 HG23 THR A 129 2.177 5.085 5.810 1.00 61.15 H new ATOM 689 N ALA A 130 2.065 2.554 9.960 1.00 35.04 N ATOM 690 CA ALA A 130 2.500 2.114 11.280 1.00 34.44 C ATOM 691 C ALA A 130 4.020 2.042 11.362 1.00 11.23 C ATOM 692 O ALA A 130 4.610 2.338 12.400 1.00 64.20 O ATOM 693 CB ALA A 130 1.887 0.761 11.612 1.00 23.34 C ATOM 0 H ALA A 130 1.964 1.803 9.277 1.00 35.04 H new ATOM 0 HA ALA A 130 2.158 2.846 12.011 1.00 34.44 H new ATOM 0 HB1 ALA A 130 2.220 0.443 12.600 1.00 23.34 H new ATOM 0 HB2 ALA A 130 0.800 0.842 11.604 1.00 23.34 H new ATOM 0 HB3 ALA A 130 2.202 0.027 10.870 1.00 23.34 H new ATOM 699 N GLY A 131 4.650 1.647 10.260 1.00 25.32 N ATOM 700 CA GLY A 131 6.097 1.543 10.229 1.00 31.34 C ATOM 701 C GLY A 131 6.609 0.340 10.998 1.00 51.43 C ATOM 702 O GLY A 131 7.615 0.428 11.700 1.00 20.30 O ATOM 0 H GLY A 131 4.184 1.397 9.388 1.00 25.32 H new ATOM 0 HA2 GLY A 131 6.431 1.478 9.194 1.00 31.34 H new ATOM 0 HA3 GLY A 131 6.532 2.450 10.648 1.00 31.34 H new ATOM 706 N GLU A 132 5.913 -0.785 10.865 1.00 15.31 N ATOM 707 CA GLU A 132 6.302 -2.009 11.556 1.00 40.44 C ATOM 708 C GLU A 132 7.333 -2.787 10.743 1.00 34.03 C ATOM 709 O GLU A 132 7.110 -3.101 9.573 1.00 33.42 O ATOM 710 CB GLU A 132 5.076 -2.885 11.817 1.00 22.05 C ATOM 711 CG GLU A 132 4.565 -2.805 13.246 1.00 65.40 C ATOM 712 CD GLU A 132 3.079 -3.086 13.352 1.00 54.35 C ATOM 713 OE1 GLU A 132 2.696 -4.275 13.337 1.00 15.31 O ATOM 714 OE2 GLU A 132 2.298 -2.116 13.448 1.00 13.24 O ATOM 0 H GLU A 132 5.078 -0.874 10.286 1.00 15.31 H new ATOM 0 HA GLU A 132 6.750 -1.731 12.510 1.00 40.44 H new ATOM 0 HB2 GLU A 132 4.277 -2.589 11.137 1.00 22.05 H new ATOM 0 HB3 GLU A 132 5.324 -3.921 11.586 1.00 22.05 H new ATOM 0 HG2 GLU A 132 5.111 -3.519 13.863 1.00 65.40 H new ATOM 0 HG3 GLU A 132 4.773 -1.813 13.647 1.00 65.40 H new ATOM 781 N GLY A 137 10.743 -8.043 6.032 1.00 64.11 N ATOM 782 CA GLY A 137 9.585 -7.402 5.436 1.00 42.34 C ATOM 783 C GLY A 137 9.094 -6.220 6.249 1.00 45.32 C ATOM 784 O GLY A 137 9.578 -5.974 7.355 1.00 14.10 O ATOM 0 HA2 GLY A 137 9.837 -7.067 4.430 1.00 42.34 H new ATOM 0 HA3 GLY A 137 8.780 -8.131 5.338 1.00 42.34 H new ATOM 788 N THR A 138 8.132 -5.484 5.700 1.00 63.12 N ATOM 789 CA THR A 138 7.578 -4.321 6.379 1.00 1.22 C ATOM 790 C THR A 138 6.057 -4.306 6.292 1.00 31.15 C ATOM 791 O THR A 138 5.486 -4.470 5.215 1.00 60.54 O ATOM 792 CB THR A 138 8.128 -3.009 5.787 1.00 53.10 C ATOM 793 OG1 THR A 138 9.163 -3.296 4.841 1.00 45.13 O ATOM 794 CG2 THR A 138 8.671 -2.106 6.884 1.00 43.03 C ATOM 0 H THR A 138 7.721 -5.674 4.786 1.00 63.12 H new ATOM 0 HA THR A 138 7.879 -4.393 7.424 1.00 1.22 H new ATOM 0 HB THR A 138 7.311 -2.491 5.285 1.00 53.10 H new ATOM 0 HG1 THR A 138 9.725 -2.502 4.720 1.00 45.13 H new ATOM 0 HG21 THR A 138 9.054 -1.186 6.442 1.00 43.03 H new ATOM 0 HG22 THR A 138 7.873 -1.866 7.586 1.00 43.03 H new ATOM 0 HG23 THR A 138 9.476 -2.618 7.411 1.00 43.03 H new ATOM 802 N GLU A 139 5.405 -4.107 7.434 1.00 34.15 N ATOM 803 CA GLU A 139 3.948 -4.072 7.485 1.00 51.52 C ATOM 804 C GLU A 139 3.444 -2.640 7.642 1.00 32.12 C ATOM 805 O GLU A 139 3.384 -2.108 8.751 1.00 1.03 O ATOM 806 CB GLU A 139 3.435 -4.934 8.640 1.00 73.44 C ATOM 807 CG GLU A 139 4.156 -6.264 8.774 1.00 42.12 C ATOM 808 CD GLU A 139 3.677 -7.072 9.965 1.00 42.50 C ATOM 809 OE1 GLU A 139 2.672 -7.799 9.822 1.00 44.53 O ATOM 810 OE2 GLU A 139 4.306 -6.975 11.039 1.00 20.34 O ATOM 0 H GLU A 139 5.862 -3.968 8.335 1.00 34.15 H new ATOM 0 HA GLU A 139 3.567 -4.473 6.545 1.00 51.52 H new ATOM 0 HB2 GLU A 139 3.540 -4.378 9.572 1.00 73.44 H new ATOM 0 HB3 GLU A 139 2.370 -5.120 8.498 1.00 73.44 H new ATOM 0 HG2 GLU A 139 4.010 -6.845 7.863 1.00 42.12 H new ATOM 0 HG3 GLU A 139 5.227 -6.084 8.869 1.00 42.12 H new ATOM 817 N THR A 140 3.082 -2.020 6.523 1.00 43.23 N ATOM 818 CA THR A 140 2.585 -0.650 6.534 1.00 22.51 C ATOM 819 C THR A 140 1.087 -0.612 6.813 1.00 2.54 C ATOM 820 O THR A 140 0.279 -1.016 5.977 1.00 34.34 O ATOM 821 CB THR A 140 2.865 0.060 5.196 1.00 4.21 C ATOM 822 OG1 THR A 140 3.381 -0.875 4.243 1.00 32.33 O ATOM 823 CG2 THR A 140 3.858 1.198 5.385 1.00 30.05 C ATOM 0 H THR A 140 3.124 -2.446 5.597 1.00 43.23 H new ATOM 0 HA THR A 140 3.114 -0.128 7.331 1.00 22.51 H new ATOM 0 HB THR A 140 1.927 0.474 4.827 1.00 4.21 H new ATOM 0 HG1 THR A 140 2.715 -1.574 4.077 1.00 32.33 H new ATOM 0 HG21 THR A 140 4.040 1.685 4.427 1.00 30.05 H new ATOM 0 HG22 THR A 140 3.450 1.924 6.089 1.00 30.05 H new ATOM 0 HG23 THR A 140 4.796 0.802 5.775 1.00 30.05 H new ATOM 831 N HIS A 141 0.722 -0.120 7.993 1.00 21.50 N ATOM 832 CA HIS A 141 -0.680 -0.028 8.382 1.00 15.41 C ATOM 833 C HIS A 141 -1.141 1.428 8.411 1.00 23.30 C ATOM 834 O HIS A 141 -0.785 2.183 9.316 1.00 75.03 O ATOM 835 CB HIS A 141 -0.896 -0.670 9.753 1.00 32.12 C ATOM 836 CG HIS A 141 -0.467 -2.103 9.816 1.00 21.43 C ATOM 837 ND1 HIS A 141 -0.444 -2.831 10.987 1.00 23.12 N ATOM 838 CD2 HIS A 141 -0.043 -2.945 8.844 1.00 51.50 C ATOM 839 CE1 HIS A 141 -0.024 -4.057 10.733 1.00 20.21 C ATOM 840 NE2 HIS A 141 0.226 -4.152 9.439 1.00 72.10 N ATOM 0 H HIS A 141 1.378 0.221 8.696 1.00 21.50 H new ATOM 0 HA HIS A 141 -1.272 -0.565 7.641 1.00 15.41 H new ATOM 0 HB2 HIS A 141 -0.346 -0.101 10.502 1.00 32.12 H new ATOM 0 HB3 HIS A 141 -1.952 -0.603 10.014 1.00 32.12 H new ATOM 0 HD1 HIS A 141 -0.710 -2.478 11.906 1.00 23.12 H new ATOM 0 HD2 HIS A 141 0.064 -2.710 7.795 1.00 51.50 H new ATOM 0 HE1 HIS A 141 0.095 -4.847 11.459 1.00 20.21 H new ATOM 848 N PHE A 142 -1.933 1.812 7.415 1.00 31.04 N ATOM 849 CA PHE A 142 -2.440 3.176 7.326 1.00 71.03 C ATOM 850 C PHE A 142 -3.964 3.186 7.242 1.00 24.53 C ATOM 851 O PHE A 142 -4.569 2.300 6.638 1.00 22.40 O ATOM 852 CB PHE A 142 -1.847 3.884 6.107 1.00 51.45 C ATOM 853 CG PHE A 142 -1.930 3.075 4.844 1.00 2.34 C ATOM 854 CD1 PHE A 142 -3.143 2.893 4.201 1.00 63.21 C ATOM 855 CD2 PHE A 142 -0.794 2.497 4.301 1.00 72.30 C ATOM 856 CE1 PHE A 142 -3.222 2.147 3.039 1.00 1.31 C ATOM 857 CE2 PHE A 142 -0.866 1.751 3.139 1.00 53.21 C ATOM 858 CZ PHE A 142 -2.082 1.577 2.508 1.00 70.15 C ATOM 0 H PHE A 142 -2.237 1.198 6.659 1.00 31.04 H new ATOM 0 HA PHE A 142 -2.140 3.708 8.229 1.00 71.03 H new ATOM 0 HB2 PHE A 142 -2.367 4.830 5.958 1.00 51.45 H new ATOM 0 HB3 PHE A 142 -0.803 4.123 6.308 1.00 51.45 H new ATOM 0 HD1 PHE A 142 -4.037 3.338 4.611 1.00 63.21 H new ATOM 0 HD2 PHE A 142 0.159 2.631 4.791 1.00 72.30 H new ATOM 0 HE1 PHE A 142 -4.174 2.011 2.548 1.00 1.31 H new ATOM 0 HE2 PHE A 142 0.027 1.305 2.726 1.00 53.21 H new ATOM 0 HZ PHE A 142 -2.141 0.996 1.600 1.00 70.15 H new ATOM 868 N SER A 143 -4.578 4.193 7.855 1.00 52.20 N ATOM 869 CA SER A 143 -6.031 4.316 7.854 1.00 62.21 C ATOM 870 C SER A 143 -6.505 5.158 6.673 1.00 63.11 C ATOM 871 O SER A 143 -5.870 6.148 6.307 1.00 20.33 O ATOM 872 CB SER A 143 -6.511 4.940 9.166 1.00 74.03 C ATOM 873 OG SER A 143 -6.155 6.309 9.239 1.00 14.15 O ATOM 0 H SER A 143 -4.092 4.935 8.358 1.00 52.20 H new ATOM 0 HA SER A 143 -6.456 3.317 7.758 1.00 62.21 H new ATOM 0 HB2 SER A 143 -7.593 4.838 9.247 1.00 74.03 H new ATOM 0 HB3 SER A 143 -6.076 4.402 10.009 1.00 74.03 H new ATOM 0 HG SER A 143 -6.474 6.685 10.086 1.00 14.15 H new ATOM 879 N VAL A 144 -7.624 4.758 6.080 1.00 54.21 N ATOM 880 CA VAL A 144 -8.185 5.475 4.940 1.00 1.35 C ATOM 881 C VAL A 144 -9.703 5.576 5.048 1.00 3.20 C ATOM 882 O VAL A 144 -10.419 4.609 4.793 1.00 20.32 O ATOM 883 CB VAL A 144 -7.819 4.790 3.611 1.00 35.33 C ATOM 884 CG1 VAL A 144 -8.205 5.670 2.432 1.00 30.01 C ATOM 885 CG2 VAL A 144 -6.336 4.457 3.574 1.00 23.24 C ATOM 0 H VAL A 144 -8.161 3.941 6.370 1.00 54.21 H new ATOM 0 HA VAL A 144 -7.756 6.477 4.953 1.00 1.35 H new ATOM 0 HB VAL A 144 -8.379 3.858 3.537 1.00 35.33 H new ATOM 0 HG11 VAL A 144 -7.938 5.169 1.501 1.00 30.01 H new ATOM 0 HG12 VAL A 144 -9.279 5.853 2.451 1.00 30.01 H new ATOM 0 HG13 VAL A 144 -7.674 6.620 2.498 1.00 30.01 H new ATOM 0 HG21 VAL A 144 -6.095 3.973 2.627 1.00 23.24 H new ATOM 0 HG22 VAL A 144 -5.755 5.374 3.671 1.00 23.24 H new ATOM 0 HG23 VAL A 144 -6.093 3.785 4.397 1.00 23.24 H new ATOM 895 N GLY A 145 -10.187 6.756 5.426 1.00 70.44 N ATOM 896 CA GLY A 145 -11.617 6.962 5.559 1.00 25.51 C ATOM 897 C GLY A 145 -12.269 5.935 6.465 1.00 40.33 C ATOM 898 O GLY A 145 -13.427 5.572 6.269 1.00 11.10 O ATOM 0 H GLY A 145 -9.614 7.572 5.642 1.00 70.44 H new ATOM 0 HA2 GLY A 145 -11.802 7.961 5.955 1.00 25.51 H new ATOM 0 HA3 GLY A 145 -12.080 6.919 4.573 1.00 25.51 H new ATOM 902 N ASN A 146 -11.521 5.464 7.457 1.00 3.32 N ATOM 903 CA ASN A 146 -12.033 4.471 8.395 1.00 65.25 C ATOM 904 C ASN A 146 -12.365 3.166 7.678 1.00 41.43 C ATOM 905 O ASN A 146 -13.203 2.389 8.136 1.00 43.31 O ATOM 906 CB ASN A 146 -13.278 5.005 9.107 1.00 42.21 C ATOM 907 CG ASN A 146 -13.156 4.932 10.617 1.00 44.24 C ATOM 908 OD1 ASN A 146 -13.315 5.935 11.313 1.00 31.10 O ATOM 909 ND2 ASN A 146 -12.870 3.741 11.130 1.00 0.33 N ATOM 0 H ASN A 146 -10.559 5.753 7.632 1.00 3.32 H new ATOM 0 HA ASN A 146 -11.257 4.272 9.134 1.00 65.25 H new ATOM 0 HB2 ASN A 146 -13.448 6.039 8.808 1.00 42.21 H new ATOM 0 HB3 ASN A 146 -14.149 4.433 8.787 1.00 42.21 H new ATOM 0 HD21 ASN A 146 -12.774 3.630 12.139 1.00 0.33 H new ATOM 0 HD22 ASN A 146 -12.747 2.937 10.515 1.00 0.33 H new ATOM 916 N HIS A 147 -11.701 2.932 6.550 1.00 24.45 N ATOM 917 CA HIS A 147 -11.924 1.720 5.769 1.00 2.00 C ATOM 918 C HIS A 147 -10.927 0.632 6.159 1.00 73.01 C ATOM 919 O HIS A 147 -11.080 -0.529 5.777 1.00 11.10 O ATOM 920 CB HIS A 147 -11.808 2.023 4.275 1.00 75.32 C ATOM 921 CG HIS A 147 -12.862 2.961 3.771 1.00 72.00 C ATOM 922 ND1 HIS A 147 -12.757 4.121 3.082 1.00 52.15 N flip ATOM 923 CD2 HIS A 147 -14.211 2.750 3.963 1.00 40.44 C flip ATOM 924 CE1 HIS A 147 -14.033 4.585 2.869 1.00 33.02 C flip ATOM 925 NE2 HIS A 147 -14.891 3.739 3.410 1.00 4.03 N flip ATOM 0 H HIS A 147 -11.005 3.565 6.157 1.00 24.45 H new ATOM 0 HA HIS A 147 -12.930 1.359 5.982 1.00 2.00 H new ATOM 0 HB2 HIS A 147 -10.826 2.451 4.075 1.00 75.32 H new ATOM 0 HB3 HIS A 147 -11.868 1.088 3.717 1.00 75.32 H new ATOM 0 HD2 HIS A 147 -14.644 1.909 4.484 1.00 40.44 H new ATOM 0 HE1 HIS A 147 -14.292 5.493 2.345 1.00 33.02 H new ATOM 0 HE2 HIS A 147 -15.907 3.833 3.402 1.00 4.03 H new ATOM 933 N ASP A 148 -9.907 1.015 6.918 1.00 23.35 N ATOM 934 CA ASP A 148 -8.885 0.072 7.360 1.00 73.24 C ATOM 935 C ASP A 148 -8.114 -0.489 6.169 1.00 30.44 C ATOM 936 O ASP A 148 -8.621 -1.337 5.433 1.00 40.44 O ATOM 937 CB ASP A 148 -9.523 -1.069 8.154 1.00 53.45 C ATOM 938 CG ASP A 148 -8.781 -1.362 9.443 1.00 64.44 C ATOM 939 OD1 ASP A 148 -7.544 -1.531 9.389 1.00 73.11 O ATOM 940 OD2 ASP A 148 -9.435 -1.424 10.504 1.00 25.51 O ATOM 0 H ASP A 148 -9.765 1.972 7.241 1.00 23.35 H new ATOM 0 HA ASP A 148 -8.186 0.606 8.004 1.00 73.24 H new ATOM 0 HB2 ASP A 148 -10.558 -0.814 8.384 1.00 53.45 H new ATOM 0 HB3 ASP A 148 -9.545 -1.968 7.538 1.00 53.45 H new ATOM 945 N CYS A 149 -6.889 -0.011 5.987 1.00 52.14 N ATOM 946 CA CYS A 149 -6.047 -0.464 4.883 1.00 33.14 C ATOM 947 C CYS A 149 -4.611 -0.677 5.348 1.00 65.40 C ATOM 948 O CYS A 149 -4.236 -0.268 6.447 1.00 62.45 O ATOM 949 CB CYS A 149 -6.081 0.551 3.739 1.00 21.34 C ATOM 950 SG CYS A 149 -7.738 1.151 3.334 1.00 30.23 S ATOM 0 H CYS A 149 -6.455 0.690 6.588 1.00 52.14 H new ATOM 0 HA CYS A 149 -6.439 -1.416 4.525 1.00 33.14 H new ATOM 0 HB2 CYS A 149 -5.453 1.402 4.003 1.00 21.34 H new ATOM 0 HB3 CYS A 149 -5.644 0.096 2.850 1.00 21.34 H new ATOM 0 HG CYS A 149 -7.663 2.005 2.357 1.00 30.23 H new ATOM 956 N TYR A 150 -3.812 -1.322 4.505 1.00 20.22 N ATOM 957 CA TYR A 150 -2.417 -1.594 4.830 1.00 41.31 C ATOM 958 C TYR A 150 -1.693 -2.220 3.642 1.00 23.23 C ATOM 959 O TYR A 150 -2.263 -3.026 2.907 1.00 34.21 O ATOM 960 CB TYR A 150 -2.326 -2.522 6.043 1.00 4.23 C ATOM 961 CG TYR A 150 -2.926 -3.889 5.806 1.00 24.13 C ATOM 962 CD1 TYR A 150 -4.303 -4.065 5.746 1.00 43.05 C ATOM 963 CD2 TYR A 150 -2.114 -5.006 5.644 1.00 75.11 C ATOM 964 CE1 TYR A 150 -4.854 -5.313 5.530 1.00 14.43 C ATOM 965 CE2 TYR A 150 -2.658 -6.257 5.426 1.00 25.33 C ATOM 966 CZ TYR A 150 -4.028 -6.406 5.371 1.00 72.03 C ATOM 967 OH TYR A 150 -4.573 -7.651 5.155 1.00 33.15 O ATOM 0 H TYR A 150 -4.107 -1.666 3.591 1.00 20.22 H new ATOM 0 HA TYR A 150 -1.934 -0.646 5.068 1.00 41.31 H new ATOM 0 HB2 TYR A 150 -1.279 -2.638 6.324 1.00 4.23 H new ATOM 0 HB3 TYR A 150 -2.832 -2.054 6.887 1.00 4.23 H new ATOM 0 HD1 TYR A 150 -4.953 -3.212 5.870 1.00 43.05 H new ATOM 0 HD2 TYR A 150 -1.041 -4.894 5.689 1.00 75.11 H new ATOM 0 HE1 TYR A 150 -5.926 -5.432 5.486 1.00 14.43 H new ATOM 0 HE2 TYR A 150 -2.014 -7.114 5.299 1.00 25.33 H new ATOM 0 HH TYR A 150 -3.855 -8.311 5.063 1.00 33.15 H new ATOM 977 N ILE A 151 -0.432 -1.843 3.462 1.00 64.02 N ATOM 978 CA ILE A 151 0.372 -2.368 2.365 1.00 44.42 C ATOM 979 C ILE A 151 1.273 -3.504 2.838 1.00 71.31 C ATOM 980 O ILE A 151 2.216 -3.290 3.599 1.00 1.52 O ATOM 981 CB ILE A 151 1.245 -1.269 1.731 1.00 55.30 C ATOM 982 CG1 ILE A 151 0.403 -0.394 0.798 1.00 24.45 C ATOM 983 CG2 ILE A 151 2.411 -1.888 0.975 1.00 13.13 C ATOM 984 CD1 ILE A 151 1.135 0.830 0.294 1.00 70.32 C ATOM 0 H ILE A 151 0.055 -1.176 4.061 1.00 64.02 H new ATOM 0 HA ILE A 151 -0.325 -2.746 1.617 1.00 44.42 H new ATOM 0 HB ILE A 151 1.646 -0.640 2.526 1.00 55.30 H new ATOM 0 HG12 ILE A 151 0.081 -0.992 -0.055 1.00 24.45 H new ATOM 0 HG13 ILE A 151 -0.498 -0.078 1.324 1.00 24.45 H new ATOM 0 HG21 ILE A 151 3.018 -1.098 0.533 1.00 13.13 H new ATOM 0 HG22 ILE A 151 3.021 -2.473 1.663 1.00 13.13 H new ATOM 0 HG23 ILE A 151 2.030 -2.537 0.187 1.00 13.13 H new ATOM 0 HD11 ILE A 151 0.478 1.403 -0.361 1.00 70.32 H new ATOM 0 HD12 ILE A 151 1.434 1.449 1.140 1.00 70.32 H new ATOM 0 HD13 ILE A 151 2.021 0.521 -0.261 1.00 70.32 H new ATOM 996 N LYS A 152 0.975 -4.716 2.382 1.00 33.21 N ATOM 997 CA LYS A 152 1.757 -5.889 2.755 1.00 43.33 C ATOM 998 C LYS A 152 3.035 -5.976 1.926 1.00 61.11 C ATOM 999 O LYS A 152 3.002 -6.353 0.755 1.00 31.43 O ATOM 1000 CB LYS A 152 0.929 -7.161 2.568 1.00 34.11 C ATOM 1001 CG LYS A 152 1.738 -8.439 2.700 1.00 32.31 C ATOM 1002 CD LYS A 152 0.947 -9.530 3.402 1.00 71.31 C ATOM 1003 CE LYS A 152 1.863 -10.600 3.978 1.00 14.32 C ATOM 1004 NZ LYS A 152 1.104 -11.811 4.398 1.00 25.34 N ATOM 0 H LYS A 152 0.196 -4.912 1.753 1.00 33.21 H new ATOM 0 HA LYS A 152 2.031 -5.793 3.806 1.00 43.33 H new ATOM 0 HB2 LYS A 152 0.125 -7.172 3.304 1.00 34.11 H new ATOM 0 HB3 LYS A 152 0.460 -7.138 1.584 1.00 34.11 H new ATOM 0 HG2 LYS A 152 2.037 -8.785 1.711 1.00 32.31 H new ATOM 0 HG3 LYS A 152 2.653 -8.236 3.257 1.00 32.31 H new ATOM 0 HD2 LYS A 152 0.351 -9.091 4.202 1.00 71.31 H new ATOM 0 HD3 LYS A 152 0.251 -9.986 2.698 1.00 71.31 H new ATOM 0 HE2 LYS A 152 2.609 -10.879 3.234 1.00 14.32 H new ATOM 0 HE3 LYS A 152 2.402 -10.194 4.834 1.00 14.32 H new ATOM 0 HZ1 LYS A 152 1.763 -12.517 4.785 1.00 25.34 H new ATOM 0 HZ2 LYS A 152 0.409 -11.550 5.126 1.00 25.34 H new ATOM 0 HZ3 LYS A 152 0.609 -12.213 3.576 1.00 25.34 H new ATOM 1018 N ALA A 153 4.160 -5.626 2.542 1.00 54.42 N ATOM 1019 CA ALA A 153 5.448 -5.668 1.862 1.00 43.42 C ATOM 1020 C ALA A 153 6.214 -6.938 2.216 1.00 44.20 C ATOM 1021 O ALA A 153 6.112 -7.445 3.334 1.00 73.03 O ATOM 1022 CB ALA A 153 6.271 -4.437 2.212 1.00 13.34 C ATOM 0 H ALA A 153 4.205 -5.310 3.511 1.00 54.42 H new ATOM 0 HA ALA A 153 5.264 -5.674 0.788 1.00 43.42 H new ATOM 0 HB1 ALA A 153 7.230 -4.482 1.697 1.00 13.34 H new ATOM 0 HB2 ALA A 153 5.734 -3.540 1.902 1.00 13.34 H new ATOM 0 HB3 ALA A 153 6.438 -4.405 3.289 1.00 13.34 H new ATOM 1028 N VAL A 154 6.982 -7.447 1.259 1.00 44.34 N ATOM 1029 CA VAL A 154 7.767 -8.657 1.470 1.00 20.22 C ATOM 1030 C VAL A 154 9.095 -8.589 0.724 1.00 75.24 C ATOM 1031 O VAL A 154 9.127 -8.386 -0.491 1.00 33.45 O ATOM 1032 CB VAL A 154 6.998 -9.911 1.014 1.00 61.32 C ATOM 1033 CG1 VAL A 154 7.739 -11.173 1.429 1.00 44.34 C ATOM 1034 CG2 VAL A 154 5.585 -9.903 1.577 1.00 72.42 C ATOM 0 H VAL A 154 7.078 -7.040 0.329 1.00 44.34 H new ATOM 0 HA VAL A 154 7.959 -8.727 2.541 1.00 20.22 H new ATOM 0 HB VAL A 154 6.931 -9.899 -0.074 1.00 61.32 H new ATOM 0 HG11 VAL A 154 7.180 -12.048 1.098 1.00 44.34 H new ATOM 0 HG12 VAL A 154 8.729 -11.180 0.973 1.00 44.34 H new ATOM 0 HG13 VAL A 154 7.840 -11.196 2.514 1.00 44.34 H new ATOM 0 HG21 VAL A 154 5.056 -10.796 1.245 1.00 72.42 H new ATOM 0 HG22 VAL A 154 5.627 -9.890 2.666 1.00 72.42 H new ATOM 0 HG23 VAL A 154 5.058 -9.017 1.224 1.00 72.42 H new ATOM 1044 N SER A 155 10.189 -8.761 1.457 1.00 24.41 N ATOM 1045 CA SER A 155 11.522 -8.716 0.866 1.00 31.02 C ATOM 1046 C SER A 155 11.992 -10.115 0.480 1.00 24.20 C ATOM 1047 O SER A 155 11.939 -11.045 1.286 1.00 12.32 O ATOM 1048 CB SER A 155 12.515 -8.082 1.842 1.00 60.44 C ATOM 1049 OG SER A 155 13.293 -9.071 2.492 1.00 33.44 O ATOM 0 H SER A 155 10.180 -8.933 2.462 1.00 24.41 H new ATOM 0 HA SER A 155 11.472 -8.107 -0.036 1.00 31.02 H new ATOM 0 HB2 SER A 155 13.169 -7.395 1.305 1.00 60.44 H new ATOM 0 HB3 SER A 155 11.975 -7.494 2.584 1.00 60.44 H new ATOM 0 HG SER A 155 13.921 -8.640 3.109 1.00 33.44 H new ATOM 1055 N SER A 156 12.454 -10.257 -0.758 1.00 21.01 N ATOM 1056 CA SER A 156 12.931 -11.543 -1.254 1.00 12.24 C ATOM 1057 C SER A 156 14.304 -11.399 -1.905 1.00 74.02 C ATOM 1058 O SER A 156 14.659 -10.331 -2.401 1.00 14.21 O ATOM 1059 CB SER A 156 11.936 -12.128 -2.257 1.00 4.40 C ATOM 1060 OG SER A 156 10.980 -11.158 -2.652 1.00 70.31 O ATOM 0 H SER A 156 12.508 -9.497 -1.436 1.00 21.01 H new ATOM 0 HA SER A 156 13.020 -12.221 -0.405 1.00 12.24 H new ATOM 0 HB2 SER A 156 12.471 -12.494 -3.133 1.00 4.40 H new ATOM 0 HB3 SER A 156 11.428 -12.984 -1.813 1.00 4.40 H new ATOM 0 HG SER A 156 11.439 -10.327 -2.896 1.00 70.31 H new ATOM 1066 N GLY A 157 15.071 -12.485 -1.899 1.00 50.23 N ATOM 1067 CA GLY A 157 16.395 -12.459 -2.492 1.00 64.11 C ATOM 1068 C GLY A 157 17.443 -11.904 -1.548 1.00 35.14 C ATOM 1069 O GLY A 157 17.688 -10.698 -1.520 1.00 44.25 O ATOM 0 H GLY A 157 14.799 -13.381 -1.495 1.00 50.23 H new ATOM 0 HA2 GLY A 157 16.677 -13.469 -2.789 1.00 64.11 H new ATOM 0 HA3 GLY A 157 16.372 -11.855 -3.399 1.00 64.11 H new ATOM 1073 N LYS A 158 18.062 -12.785 -0.769 1.00 12.24 N ATOM 1074 CA LYS A 158 19.088 -12.377 0.183 1.00 42.44 C ATOM 1075 C LYS A 158 18.519 -11.409 1.215 1.00 11.44 C ATOM 1076 O LYS A 158 17.307 -11.207 1.290 1.00 74.14 O ATOM 1077 CB LYS A 158 20.263 -11.724 -0.550 1.00 54.11 C ATOM 1078 CG LYS A 158 21.619 -12.255 -0.120 1.00 1.31 C ATOM 1079 CD LYS A 158 22.567 -12.385 -1.301 1.00 74.01 C ATOM 1080 CE LYS A 158 23.974 -11.935 -0.939 1.00 31.03 C ATOM 1081 NZ LYS A 158 24.038 -10.471 -0.679 1.00 11.54 N ATOM 0 H LYS A 158 17.871 -13.787 -0.779 1.00 12.24 H new ATOM 0 HA LYS A 158 19.441 -13.268 0.702 1.00 42.44 H new ATOM 0 HB2 LYS A 158 20.144 -11.881 -1.622 1.00 54.11 H new ATOM 0 HB3 LYS A 158 20.233 -10.648 -0.380 1.00 54.11 H new ATOM 0 HG2 LYS A 158 22.053 -11.587 0.624 1.00 1.31 H new ATOM 0 HG3 LYS A 158 21.495 -13.227 0.357 1.00 1.31 H new ATOM 0 HD2 LYS A 158 22.591 -13.422 -1.637 1.00 74.01 H new ATOM 0 HD3 LYS A 158 22.196 -11.788 -2.134 1.00 74.01 H new ATOM 0 HE2 LYS A 158 24.312 -12.476 -0.055 1.00 31.03 H new ATOM 0 HE3 LYS A 158 24.657 -12.190 -1.750 1.00 31.03 H new ATOM 0 HZ1 LYS A 158 25.015 -10.139 -0.804 1.00 11.54 H new ATOM 0 HZ2 LYS A 158 23.415 -9.972 -1.346 1.00 11.54 H new ATOM 0 HZ3 LYS A 158 23.729 -10.278 0.295 1.00 11.54 H new ATOM 1095 N ARG A 159 19.402 -10.811 2.010 1.00 74.22 N ATOM 1096 CA ARG A 159 18.987 -9.864 3.038 1.00 32.32 C ATOM 1097 C ARG A 159 18.106 -8.769 2.444 1.00 5.21 C ATOM 1098 O ARG A 159 17.207 -8.251 3.108 1.00 64.10 O ATOM 1099 CB ARG A 159 20.211 -9.241 3.711 1.00 22.42 C ATOM 1100 CG ARG A 159 20.844 -10.131 4.769 1.00 62.33 C ATOM 1101 CD ARG A 159 22.105 -9.504 5.342 1.00 34.11 C ATOM 1102 NE ARG A 159 22.133 -9.569 6.801 1.00 31.14 N ATOM 1103 CZ ARG A 159 23.237 -9.410 7.523 1.00 1.00 C ATOM 1104 NH1 ARG A 159 24.397 -9.176 6.923 1.00 35.45 N ATOM 1105 NH2 ARG A 159 23.182 -9.482 8.846 1.00 23.30 N ATOM 0 H ARG A 159 20.409 -10.966 1.961 1.00 74.22 H new ATOM 0 HA ARG A 159 18.408 -10.407 3.785 1.00 32.32 H new ATOM 0 HB2 ARG A 159 20.956 -9.010 2.949 1.00 22.42 H new ATOM 0 HB3 ARG A 159 19.921 -8.296 4.170 1.00 22.42 H new ATOM 0 HG2 ARG A 159 20.128 -10.310 5.571 1.00 62.33 H new ATOM 0 HG3 ARG A 159 21.084 -11.101 4.334 1.00 62.33 H new ATOM 0 HD2 ARG A 159 22.979 -10.015 4.939 1.00 34.11 H new ATOM 0 HD3 ARG A 159 22.169 -8.463 5.024 1.00 34.11 H new ATOM 0 HE ARG A 159 21.257 -9.746 7.293 1.00 31.14 H new ATOM 0 HH11 ARG A 159 24.442 -9.118 5.906 1.00 35.45 H new ATOM 0 HH12 ARG A 159 25.243 -9.054 7.479 1.00 35.45 H new ATOM 0 HH21 ARG A 159 22.291 -9.660 9.310 1.00 23.30 H new ATOM 0 HH22 ARG A 159 24.030 -9.360 9.399 1.00 23.30 H new ATOM 1119 N LYS A 160 18.370 -8.419 1.190 1.00 65.24 N ATOM 1120 CA LYS A 160 17.603 -7.386 0.505 1.00 70.20 C ATOM 1121 C LYS A 160 18.003 -7.295 -0.965 1.00 22.15 C ATOM 1122 O LYS A 160 19.175 -7.103 -1.288 1.00 31.35 O ATOM 1123 CB LYS A 160 17.812 -6.031 1.185 1.00 4.04 C ATOM 1124 CG LYS A 160 19.273 -5.640 1.326 1.00 41.04 C ATOM 1125 CD LYS A 160 19.457 -4.530 2.348 1.00 54.15 C ATOM 1126 CE LYS A 160 20.818 -3.865 2.209 1.00 54.21 C ATOM 1127 NZ LYS A 160 21.401 -3.513 3.533 1.00 23.14 N ATOM 0 H LYS A 160 19.111 -8.837 0.627 1.00 65.24 H new ATOM 0 HA LYS A 160 16.548 -7.655 0.561 1.00 70.20 H new ATOM 0 HB2 LYS A 160 17.293 -5.263 0.612 1.00 4.04 H new ATOM 0 HB3 LYS A 160 17.354 -6.056 2.174 1.00 4.04 H new ATOM 0 HG2 LYS A 160 19.857 -6.511 1.624 1.00 41.04 H new ATOM 0 HG3 LYS A 160 19.658 -5.314 0.360 1.00 41.04 H new ATOM 0 HD2 LYS A 160 18.672 -3.784 2.222 1.00 54.15 H new ATOM 0 HD3 LYS A 160 19.351 -4.938 3.353 1.00 54.15 H new ATOM 0 HE2 LYS A 160 21.497 -4.534 1.680 1.00 54.21 H new ATOM 0 HE3 LYS A 160 20.722 -2.964 1.603 1.00 54.21 H new ATOM 0 HZ1 LYS A 160 22.328 -3.062 3.395 1.00 23.14 H new ATOM 0 HZ2 LYS A 160 20.766 -2.855 4.028 1.00 23.14 H new ATOM 0 HZ3 LYS A 160 21.517 -4.376 4.102 1.00 23.14 H new ATOM 1141 N GLU A 161 17.021 -7.434 -1.851 1.00 5.45 N ATOM 1142 CA GLU A 161 17.272 -7.367 -3.284 1.00 75.05 C ATOM 1143 C GLU A 161 15.993 -7.028 -4.046 1.00 1.15 C ATOM 1144 O GLU A 161 15.956 -6.077 -4.826 1.00 31.43 O ATOM 1145 CB GLU A 161 17.841 -8.695 -3.788 1.00 1.21 C ATOM 1146 CG GLU A 161 18.666 -8.562 -5.057 1.00 71.24 C ATOM 1147 CD GLU A 161 18.344 -9.636 -6.077 1.00 62.52 C ATOM 1148 OE1 GLU A 161 17.180 -9.703 -6.522 1.00 13.22 O ATOM 1149 OE2 GLU A 161 19.258 -10.412 -6.430 1.00 73.54 O ATOM 0 H GLU A 161 16.045 -7.594 -1.600 1.00 5.45 H new ATOM 0 HA GLU A 161 18.001 -6.576 -3.462 1.00 75.05 H new ATOM 0 HB2 GLU A 161 18.461 -9.135 -3.007 1.00 1.21 H new ATOM 0 HB3 GLU A 161 17.019 -9.387 -3.970 1.00 1.21 H new ATOM 0 HG2 GLU A 161 18.490 -7.582 -5.499 1.00 71.24 H new ATOM 0 HG3 GLU A 161 19.725 -8.612 -4.804 1.00 71.24 H new ATOM 1156 N GLY A 162 14.947 -7.814 -3.812 1.00 13.35 N ATOM 1157 CA GLY A 162 13.680 -7.582 -4.483 1.00 2.25 C ATOM 1158 C GLY A 162 12.517 -7.502 -3.514 1.00 31.33 C ATOM 1159 O GLY A 162 12.081 -8.520 -2.974 1.00 70.12 O ATOM 0 H GLY A 162 14.953 -8.607 -3.170 1.00 13.35 H new ATOM 0 HA2 GLY A 162 13.739 -6.655 -5.053 1.00 2.25 H new ATOM 0 HA3 GLY A 162 13.499 -8.385 -5.198 1.00 2.25 H new ATOM 1163 N ILE A 163 12.015 -6.293 -3.292 1.00 45.02 N ATOM 1164 CA ILE A 163 10.897 -6.085 -2.381 1.00 75.51 C ATOM 1165 C ILE A 163 9.600 -5.846 -3.148 1.00 1.22 C ATOM 1166 O ILE A 163 9.569 -5.075 -4.108 1.00 63.23 O ATOM 1167 CB ILE A 163 11.151 -4.895 -1.439 1.00 14.52 C ATOM 1168 CG1 ILE A 163 12.426 -5.122 -0.625 1.00 34.22 C ATOM 1169 CG2 ILE A 163 9.958 -4.684 -0.518 1.00 31.42 C ATOM 1170 CD1 ILE A 163 12.757 -3.982 0.312 1.00 42.23 C ATOM 0 H ILE A 163 12.365 -5.441 -3.731 1.00 45.02 H new ATOM 0 HA ILE A 163 10.802 -6.993 -1.786 1.00 75.51 H new ATOM 0 HB ILE A 163 11.283 -3.996 -2.042 1.00 14.52 H new ATOM 0 HG12 ILE A 163 12.318 -6.039 -0.045 1.00 34.22 H new ATOM 0 HG13 ILE A 163 13.261 -5.274 -1.309 1.00 34.22 H new ATOM 0 HG21 ILE A 163 10.153 -3.839 0.142 1.00 31.42 H new ATOM 0 HG22 ILE A 163 9.069 -4.481 -1.115 1.00 31.42 H new ATOM 0 HG23 ILE A 163 9.796 -5.581 0.079 1.00 31.42 H new ATOM 0 HD11 ILE A 163 13.673 -4.212 0.856 1.00 42.23 H new ATOM 0 HD12 ILE A 163 12.897 -3.067 -0.264 1.00 42.23 H new ATOM 0 HD13 ILE A 163 11.940 -3.844 1.020 1.00 42.23 H new ATOM 1182 N ILE A 164 8.533 -6.508 -2.717 1.00 73.10 N ATOM 1183 CA ILE A 164 7.233 -6.365 -3.361 1.00 43.53 C ATOM 1184 C ILE A 164 6.183 -5.862 -2.375 1.00 65.53 C ATOM 1185 O ILE A 164 6.075 -6.366 -1.257 1.00 3.50 O ATOM 1186 CB ILE A 164 6.755 -7.697 -3.968 1.00 3.23 C ATOM 1187 CG1 ILE A 164 7.833 -8.281 -4.883 1.00 41.51 C ATOM 1188 CG2 ILE A 164 5.455 -7.495 -4.733 1.00 4.31 C ATOM 1189 CD1 ILE A 164 7.487 -9.649 -5.428 1.00 12.44 C ATOM 0 H ILE A 164 8.542 -7.149 -1.924 1.00 73.10 H new ATOM 0 HA ILE A 164 7.356 -5.635 -4.161 1.00 43.53 H new ATOM 0 HB ILE A 164 6.571 -8.403 -3.158 1.00 3.23 H new ATOM 0 HG12 ILE A 164 8.000 -7.598 -5.716 1.00 41.51 H new ATOM 0 HG13 ILE A 164 8.771 -8.345 -4.331 1.00 41.51 H new ATOM 0 HG21 ILE A 164 5.130 -8.446 -5.156 1.00 4.31 H new ATOM 0 HG22 ILE A 164 4.689 -7.119 -4.055 1.00 4.31 H new ATOM 0 HG23 ILE A 164 5.614 -6.776 -5.536 1.00 4.31 H new ATOM 0 HD11 ILE A 164 8.296 -10.001 -6.068 1.00 12.44 H new ATOM 0 HD12 ILE A 164 7.349 -10.346 -4.601 1.00 12.44 H new ATOM 0 HD13 ILE A 164 6.566 -9.587 -6.008 1.00 12.44 H new ATOM 1201 N HIS A 165 5.409 -4.868 -2.799 1.00 5.24 N ATOM 1202 CA HIS A 165 4.366 -4.299 -1.954 1.00 54.13 C ATOM 1203 C HIS A 165 2.981 -4.687 -2.465 1.00 5.03 C ATOM 1204 O HIS A 165 2.726 -4.674 -3.670 1.00 10.51 O ATOM 1205 CB HIS A 165 4.495 -2.775 -1.905 1.00 33.24 C ATOM 1206 CG HIS A 165 5.906 -2.299 -1.752 1.00 4.31 C ATOM 1207 ND1 HIS A 165 6.624 -1.728 -2.783 1.00 34.23 N ATOM 1208 CD2 HIS A 165 6.733 -2.308 -0.681 1.00 21.22 C ATOM 1209 CE1 HIS A 165 7.831 -1.409 -2.352 1.00 33.15 C ATOM 1210 NE2 HIS A 165 7.922 -1.750 -1.079 1.00 3.10 N ATOM 0 H HIS A 165 5.485 -4.440 -3.722 1.00 5.24 H new ATOM 0 HA HIS A 165 4.489 -4.700 -0.948 1.00 54.13 H new ATOM 0 HB2 HIS A 165 4.075 -2.353 -2.818 1.00 33.24 H new ATOM 0 HB3 HIS A 165 3.900 -2.395 -1.075 1.00 33.24 H new ATOM 0 HD1 HIS A 165 6.277 -1.576 -3.730 1.00 34.23 H new ATOM 0 HD2 HIS A 165 6.501 -2.684 0.304 1.00 21.22 H new ATOM 0 HE1 HIS A 165 8.611 -0.948 -2.940 1.00 33.15 H new ATOM 1218 N THR A 166 2.091 -5.035 -1.541 1.00 0.45 N ATOM 1219 CA THR A 166 0.734 -5.430 -1.897 1.00 51.04 C ATOM 1220 C THR A 166 -0.294 -4.682 -1.057 1.00 75.12 C ATOM 1221 O THR A 166 -0.504 -5.000 0.114 1.00 11.20 O ATOM 1222 CB THR A 166 0.524 -6.945 -1.717 1.00 63.11 C ATOM 1223 OG1 THR A 166 1.708 -7.544 -1.179 1.00 44.41 O ATOM 1224 CG2 THR A 166 0.173 -7.605 -3.042 1.00 4.51 C ATOM 0 H THR A 166 2.286 -5.051 -0.540 1.00 0.45 H new ATOM 0 HA THR A 166 0.596 -5.175 -2.948 1.00 51.04 H new ATOM 0 HB THR A 166 -0.305 -7.094 -1.025 1.00 63.11 H new ATOM 0 HG1 THR A 166 1.853 -7.219 -0.266 1.00 44.41 H new ATOM 0 HG21 THR A 166 0.030 -8.675 -2.889 1.00 4.51 H new ATOM 0 HG22 THR A 166 -0.745 -7.168 -3.434 1.00 4.51 H new ATOM 0 HG23 THR A 166 0.983 -7.446 -3.754 1.00 4.51 H new ATOM 1232 N LEU A 167 -0.934 -3.687 -1.661 1.00 74.03 N ATOM 1233 CA LEU A 167 -1.944 -2.893 -0.968 1.00 44.40 C ATOM 1234 C LEU A 167 -3.165 -3.741 -0.630 1.00 72.14 C ATOM 1235 O LEU A 167 -3.618 -4.547 -1.445 1.00 4.15 O ATOM 1236 CB LEU A 167 -2.359 -1.698 -1.828 1.00 1.41 C ATOM 1237 CG LEU A 167 -3.644 -0.983 -1.407 1.00 22.11 C ATOM 1238 CD1 LEU A 167 -3.553 -0.532 0.043 1.00 23.40 C ATOM 1239 CD2 LEU A 167 -3.918 0.203 -2.320 1.00 1.13 C ATOM 0 H LEU A 167 -0.772 -3.410 -2.629 1.00 74.03 H new ATOM 0 HA LEU A 167 -1.510 -2.529 -0.037 1.00 44.40 H new ATOM 0 HB2 LEU A 167 -1.545 -0.973 -1.824 1.00 1.41 H new ATOM 0 HB3 LEU A 167 -2.477 -2.039 -2.856 1.00 1.41 H new ATOM 0 HG LEU A 167 -4.474 -1.684 -1.497 1.00 22.11 H new ATOM 0 HD11 LEU A 167 -4.476 -0.025 0.325 1.00 23.40 H new ATOM 0 HD12 LEU A 167 -3.405 -1.400 0.685 1.00 23.40 H new ATOM 0 HD13 LEU A 167 -2.713 0.153 0.159 1.00 23.40 H new ATOM 0 HD21 LEU A 167 -4.836 0.700 -2.006 1.00 1.13 H new ATOM 0 HD22 LEU A 167 -3.087 0.906 -2.263 1.00 1.13 H new ATOM 0 HD23 LEU A 167 -4.028 -0.146 -3.347 1.00 1.13 H new ATOM 1251 N ILE A 168 -3.696 -3.552 0.573 1.00 34.21 N ATOM 1252 CA ILE A 168 -4.868 -4.297 1.015 1.00 0.44 C ATOM 1253 C ILE A 168 -5.872 -3.381 1.708 1.00 32.02 C ATOM 1254 O ILE A 168 -5.563 -2.760 2.726 1.00 72.52 O ATOM 1255 CB ILE A 168 -4.481 -5.436 1.977 1.00 12.00 C ATOM 1256 CG1 ILE A 168 -3.429 -6.341 1.333 1.00 41.43 C ATOM 1257 CG2 ILE A 168 -5.712 -6.240 2.369 1.00 63.43 C ATOM 1258 CD1 ILE A 168 -3.202 -7.634 2.085 1.00 25.00 C ATOM 0 H ILE A 168 -3.333 -2.890 1.259 1.00 34.21 H new ATOM 0 HA ILE A 168 -5.325 -4.725 0.123 1.00 0.44 H new ATOM 0 HB ILE A 168 -4.054 -5.000 2.880 1.00 12.00 H new ATOM 0 HG12 ILE A 168 -3.736 -6.572 0.313 1.00 41.43 H new ATOM 0 HG13 ILE A 168 -2.486 -5.798 1.267 1.00 41.43 H new ATOM 0 HG21 ILE A 168 -5.422 -7.041 3.049 1.00 63.43 H new ATOM 0 HG22 ILE A 168 -6.431 -5.587 2.863 1.00 63.43 H new ATOM 0 HG23 ILE A 168 -6.166 -6.669 1.476 1.00 63.43 H new ATOM 0 HD11 ILE A 168 -2.444 -8.225 1.571 1.00 25.00 H new ATOM 0 HD12 ILE A 168 -2.865 -7.412 3.097 1.00 25.00 H new ATOM 0 HD13 ILE A 168 -4.134 -8.198 2.129 1.00 25.00 H new ATOM 1270 N VAL A 169 -7.076 -3.303 1.151 1.00 61.22 N ATOM 1271 CA VAL A 169 -8.128 -2.465 1.716 1.00 64.15 C ATOM 1272 C VAL A 169 -9.330 -3.302 2.134 1.00 30.25 C ATOM 1273 O VAL A 169 -9.771 -4.187 1.400 1.00 62.02 O ATOM 1274 CB VAL A 169 -8.588 -1.390 0.714 1.00 63.21 C ATOM 1275 CG1 VAL A 169 -9.763 -0.605 1.275 1.00 35.14 C ATOM 1276 CG2 VAL A 169 -7.436 -0.461 0.362 1.00 64.52 C ATOM 0 H VAL A 169 -7.348 -3.810 0.309 1.00 61.22 H new ATOM 0 HA VAL A 169 -7.706 -1.975 2.594 1.00 64.15 H new ATOM 0 HB VAL A 169 -8.916 -1.887 -0.199 1.00 63.21 H new ATOM 0 HG11 VAL A 169 -10.074 0.150 0.553 1.00 35.14 H new ATOM 0 HG12 VAL A 169 -10.593 -1.283 1.471 1.00 35.14 H new ATOM 0 HG13 VAL A 169 -9.465 -0.118 2.204 1.00 35.14 H new ATOM 0 HG21 VAL A 169 -7.780 0.292 -0.347 1.00 64.52 H new ATOM 0 HG22 VAL A 169 -7.075 0.030 1.266 1.00 64.52 H new ATOM 0 HG23 VAL A 169 -6.627 -1.038 -0.085 1.00 64.52 H new ATOM 1286 N ASP A 170 -9.859 -3.017 3.320 1.00 63.42 N ATOM 1287 CA ASP A 170 -11.013 -3.743 3.838 1.00 51.33 C ATOM 1288 C ASP A 170 -10.756 -5.247 3.835 1.00 42.21 C ATOM 1289 O ASP A 170 -11.657 -6.040 3.565 1.00 0.51 O ATOM 1290 CB ASP A 170 -12.257 -3.423 3.007 1.00 62.53 C ATOM 1291 CG ASP A 170 -13.489 -3.214 3.866 1.00 42.02 C ATOM 1292 OD1 ASP A 170 -13.448 -2.342 4.760 1.00 61.33 O ATOM 1293 OD2 ASP A 170 -14.493 -3.921 3.644 1.00 31.30 O ATOM 0 H ASP A 170 -9.507 -2.288 3.940 1.00 63.42 H new ATOM 0 HA ASP A 170 -11.180 -3.424 4.867 1.00 51.33 H new ATOM 0 HB2 ASP A 170 -12.074 -2.526 2.415 1.00 62.53 H new ATOM 0 HB3 ASP A 170 -12.441 -4.236 2.305 1.00 62.53 H new ATOM 1298 N ASN A 171 -9.519 -5.631 4.135 1.00 54.41 N ATOM 1299 CA ASN A 171 -9.143 -7.039 4.164 1.00 32.05 C ATOM 1300 C ASN A 171 -9.281 -7.669 2.782 1.00 21.11 C ATOM 1301 O ASN A 171 -9.778 -8.787 2.644 1.00 42.22 O ATOM 1302 CB ASN A 171 -10.009 -7.799 5.171 1.00 11.42 C ATOM 1303 CG ASN A 171 -9.223 -8.844 5.939 1.00 43.30 C ATOM 1304 OD1 ASN A 171 -8.032 -8.672 6.201 1.00 22.01 O ATOM 1305 ND2 ASN A 171 -9.886 -9.936 6.301 1.00 10.53 N ATOM 0 H ASN A 171 -8.761 -4.987 4.361 1.00 54.41 H new ATOM 0 HA ASN A 171 -8.099 -7.103 4.470 1.00 32.05 H new ATOM 0 HB2 ASN A 171 -10.450 -7.092 5.873 1.00 11.42 H new ATOM 0 HB3 ASN A 171 -10.833 -8.282 4.646 1.00 11.42 H new ATOM 0 HD21 ASN A 171 -9.409 -10.675 6.818 1.00 10.53 H new ATOM 0 HD22 ASN A 171 -10.873 -10.036 6.062 1.00 10.53 H new ATOM 1312 N ARG A 172 -8.837 -6.944 1.761 1.00 44.23 N ATOM 1313 CA ARG A 172 -8.911 -7.431 0.389 1.00 43.24 C ATOM 1314 C ARG A 172 -7.662 -7.038 -0.396 1.00 60.23 C ATOM 1315 O ARG A 172 -7.252 -5.878 -0.387 1.00 41.01 O ATOM 1316 CB ARG A 172 -10.157 -6.877 -0.305 1.00 14.43 C ATOM 1317 CG ARG A 172 -11.430 -7.035 0.512 1.00 65.45 C ATOM 1318 CD ARG A 172 -12.661 -7.078 -0.380 1.00 20.32 C ATOM 1319 NE ARG A 172 -13.523 -5.917 -0.178 1.00 14.15 N ATOM 1320 CZ ARG A 172 -14.555 -5.623 -0.961 1.00 55.25 C ATOM 1321 NH1 ARG A 172 -14.852 -6.402 -1.993 1.00 4.14 N ATOM 1322 NH2 ARG A 172 -15.293 -4.549 -0.713 1.00 12.11 N ATOM 0 H ARG A 172 -8.422 -6.017 1.858 1.00 44.23 H new ATOM 0 HA ARG A 172 -8.973 -8.519 0.419 1.00 43.24 H new ATOM 0 HB2 ARG A 172 -10.003 -5.820 -0.521 1.00 14.43 H new ATOM 0 HB3 ARG A 172 -10.285 -7.382 -1.262 1.00 14.43 H new ATOM 0 HG2 ARG A 172 -11.374 -7.950 1.102 1.00 65.45 H new ATOM 0 HG3 ARG A 172 -11.518 -6.207 1.216 1.00 65.45 H new ATOM 0 HD2 ARG A 172 -12.351 -7.122 -1.424 1.00 20.32 H new ATOM 0 HD3 ARG A 172 -13.225 -7.988 -0.176 1.00 20.32 H new ATOM 0 HE ARG A 172 -13.322 -5.298 0.607 1.00 14.15 H new ATOM 0 HH11 ARG A 172 -14.287 -7.229 -2.187 1.00 4.14 H new ATOM 0 HH12 ARG A 172 -15.645 -6.174 -2.593 1.00 4.14 H new ATOM 0 HH21 ARG A 172 -15.068 -3.948 0.080 1.00 12.11 H new ATOM 0 HH22 ARG A 172 -16.085 -4.324 -1.315 1.00 12.11 H new ATOM 1336 N GLU A 173 -7.063 -8.013 -1.073 1.00 15.23 N ATOM 1337 CA GLU A 173 -5.861 -7.769 -1.860 1.00 75.12 C ATOM 1338 C GLU A 173 -6.144 -6.787 -2.994 1.00 22.00 C ATOM 1339 O GLU A 173 -7.241 -6.770 -3.554 1.00 41.14 O ATOM 1340 CB GLU A 173 -5.322 -9.082 -2.431 1.00 31.02 C ATOM 1341 CG GLU A 173 -3.869 -9.350 -2.075 1.00 53.14 C ATOM 1342 CD GLU A 173 -3.374 -10.680 -2.608 1.00 24.50 C ATOM 1343 OE1 GLU A 173 -3.757 -11.048 -3.739 1.00 2.53 O ATOM 1344 OE2 GLU A 173 -2.602 -11.355 -1.894 1.00 14.31 O ATOM 0 H GLU A 173 -7.391 -8.979 -1.092 1.00 15.23 H new ATOM 0 HA GLU A 173 -5.110 -7.332 -1.202 1.00 75.12 H new ATOM 0 HB2 GLU A 173 -5.935 -9.906 -2.065 1.00 31.02 H new ATOM 0 HB3 GLU A 173 -5.424 -9.066 -3.516 1.00 31.02 H new ATOM 0 HG2 GLU A 173 -3.247 -8.549 -2.474 1.00 53.14 H new ATOM 0 HG3 GLU A 173 -3.755 -9.332 -0.991 1.00 53.14 H new ATOM 1351 N ILE A 174 -5.148 -5.973 -3.326 1.00 14.54 N ATOM 1352 CA ILE A 174 -5.289 -4.989 -4.393 1.00 21.24 C ATOM 1353 C ILE A 174 -4.223 -5.185 -5.465 1.00 34.41 C ATOM 1354 O ILE A 174 -3.032 -5.309 -5.177 1.00 35.31 O ATOM 1355 CB ILE A 174 -5.196 -3.552 -3.848 1.00 54.30 C ATOM 1356 CG1 ILE A 174 -6.325 -3.286 -2.852 1.00 33.33 C ATOM 1357 CG2 ILE A 174 -5.245 -2.549 -4.991 1.00 3.51 C ATOM 1358 CD1 ILE A 174 -7.263 -2.178 -3.280 1.00 63.23 C ATOM 0 H ILE A 174 -4.235 -5.975 -2.872 1.00 14.54 H new ATOM 0 HA ILE A 174 -6.275 -5.139 -4.833 1.00 21.24 H new ATOM 0 HB ILE A 174 -4.245 -3.437 -3.329 1.00 54.30 H new ATOM 0 HG12 ILE A 174 -6.898 -4.202 -2.713 1.00 33.33 H new ATOM 0 HG13 ILE A 174 -5.892 -3.031 -1.885 1.00 33.33 H new ATOM 0 HG21 ILE A 174 -5.178 -1.537 -4.591 1.00 3.51 H new ATOM 0 HG22 ILE A 174 -4.409 -2.727 -5.668 1.00 3.51 H new ATOM 0 HG23 ILE A 174 -6.183 -2.663 -5.535 1.00 3.51 H new ATOM 0 HD11 ILE A 174 -8.038 -2.046 -2.525 1.00 63.23 H new ATOM 0 HD12 ILE A 174 -6.703 -1.250 -3.391 1.00 63.23 H new ATOM 0 HD13 ILE A 174 -7.725 -2.440 -4.232 1.00 63.23 H new ATOM 1370 N PRO A 175 -4.659 -5.212 -6.734 1.00 65.02 N ATOM 1371 CA PRO A 175 -3.757 -5.389 -7.876 1.00 60.23 C ATOM 1372 C PRO A 175 -2.864 -4.174 -8.105 1.00 21.41 C ATOM 1373 O PRO A 175 -3.326 -3.035 -8.053 1.00 33.32 O ATOM 1374 CB PRO A 175 -4.713 -5.580 -9.055 1.00 75.35 C ATOM 1375 CG PRO A 175 -5.968 -4.894 -8.641 1.00 35.43 C ATOM 1376 CD PRO A 175 -6.063 -5.070 -7.151 1.00 35.34 C ATOM 0 HA PRO A 175 -3.069 -6.221 -7.727 1.00 60.23 H new ATOM 0 HB2 PRO A 175 -4.307 -5.145 -9.968 1.00 75.35 H new ATOM 0 HB3 PRO A 175 -4.888 -6.637 -9.256 1.00 75.35 H new ATOM 0 HG2 PRO A 175 -5.942 -3.838 -8.908 1.00 35.43 H new ATOM 0 HG3 PRO A 175 -6.834 -5.328 -9.141 1.00 35.43 H new ATOM 0 HD2 PRO A 175 -6.539 -4.213 -6.675 1.00 35.34 H new ATOM 0 HD3 PRO A 175 -6.651 -5.949 -6.887 1.00 35.34 H new ATOM 1384 N GLU A 176 -1.584 -4.426 -8.358 1.00 22.14 N ATOM 1385 CA GLU A 176 -0.627 -3.351 -8.594 1.00 42.15 C ATOM 1386 C GLU A 176 -0.559 -2.999 -10.077 1.00 34.02 C ATOM 1387 O GLU A 176 -0.847 -3.832 -10.939 1.00 3.51 O ATOM 1388 CB GLU A 176 0.761 -3.754 -8.090 1.00 54.42 C ATOM 1389 CG GLU A 176 1.642 -2.571 -7.724 1.00 73.10 C ATOM 1390 CD GLU A 176 3.119 -2.871 -7.889 1.00 3.01 C ATOM 1391 OE1 GLU A 176 3.488 -4.064 -7.856 1.00 42.13 O ATOM 1392 OE2 GLU A 176 3.905 -1.915 -8.050 1.00 41.42 O ATOM 0 H GLU A 176 -1.186 -5.364 -8.405 1.00 22.14 H new ATOM 0 HA GLU A 176 -0.964 -2.472 -8.045 1.00 42.15 H new ATOM 0 HB2 GLU A 176 0.649 -4.397 -7.217 1.00 54.42 H new ATOM 0 HB3 GLU A 176 1.260 -4.344 -8.858 1.00 54.42 H new ATOM 0 HG2 GLU A 176 1.376 -1.718 -8.348 1.00 73.10 H new ATOM 0 HG3 GLU A 176 1.447 -2.283 -6.691 1.00 73.10 H new