USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 584 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 54 SER OG : rot 104:sc= 1.2 USER MOD Set 1.2: A 64 GLN : amide:sc= 0 K(o=1.2,f=0.52) USER MOD Single : A 17 SER OG : rot -143:sc= 1.25 USER MOD Single : A 18 GLN :FLIP amide:sc= -7.3! C(o=-8.2!,f=-7.3!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -1.56! USER MOD Single : A 27 SER OG : rot 176:sc= -3.47! USER MOD Single : A 29 LYS NZ :NH3+ -141:sc= 1.02 (180deg=-0.859!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 52:sc= 0.114 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4.8!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN :FLIP amide:sc= -5.05! C(o=-6.4!,f=-5!) USER MOD Single : A 66 ASN :FLIP amide:sc=-0.00463 F(o=-1.3!,f=-0.0046) USER MOD Single : A 70 THR OG1 : rot -19:sc= 0.426 USER MOD Single : A 73 SER OG : rot -177:sc= -1.45 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0215 F(o=-1.2!,f=-0.022) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 84 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 6 -5.864 -10.618 -0.149 1.00 0.00 N ATOM 90 CA ARG A 6 -5.549 -9.205 -0.165 1.00 0.00 C ATOM 91 C ARG A 6 -6.032 -8.585 1.135 1.00 0.00 C ATOM 92 O ARG A 6 -6.808 -9.244 1.818 1.00 0.00 O ATOM 93 CB ARG A 6 -6.313 -8.602 -1.324 1.00 0.00 C ATOM 94 CG ARG A 6 -7.796 -8.896 -1.272 1.00 0.00 C ATOM 95 CD ARG A 6 -8.452 -8.758 -2.633 1.00 0.00 C ATOM 96 NE ARG A 6 -7.957 -9.755 -3.574 1.00 0.00 N ATOM 97 CZ ARG A 6 -8.578 -10.092 -4.699 1.00 0.00 C ATOM 98 NH1 ARG A 6 -9.723 -9.510 -5.038 1.00 0.00 N ATOM 99 NH2 ARG A 6 -8.047 -11.017 -5.478 1.00 0.00 N ATOM 0 HA ARG A 6 -4.478 -9.031 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.162 -7.522 -1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.905 -8.985 -2.259 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.952 -9.907 -0.895 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.276 -8.216 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.532 -8.861 -2.528 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.264 -7.760 -3.028 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.078 -10.224 -3.355 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.132 -8.798 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.193 -9.775 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.169 -11.464 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.515 -11.284 -6.344 1.00 0.00 H new ATOM 113 N LEU A 7 -5.485 -7.416 1.545 1.00 0.00 N ATOM 114 CA LEU A 7 -6.217 -6.515 2.460 1.00 0.00 C ATOM 115 C LEU A 7 -5.457 -5.311 3.017 1.00 0.00 C ATOM 116 O LEU A 7 -4.450 -4.862 2.478 1.00 0.00 O ATOM 117 CB LEU A 7 -7.027 -7.203 3.549 1.00 0.00 C ATOM 118 CG LEU A 7 -8.438 -7.484 3.063 1.00 0.00 C ATOM 119 CD1 LEU A 7 -9.157 -8.480 3.956 1.00 0.00 C ATOM 120 CD2 LEU A 7 -9.237 -6.196 2.955 1.00 0.00 C ATOM 0 H LEU A 7 -4.563 -7.083 1.264 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.927 -6.092 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.542 -8.136 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.061 -6.574 4.438 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.355 -7.930 2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.163 -8.653 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.607 -9.421 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.218 -8.082 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.244 -6.421 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.291 -5.718 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.750 -5.524 2.249 1.00 0.00 H new ATOM 132 N PHE A 8 -6.066 -4.731 4.056 1.00 0.00 N ATOM 133 CA PHE A 8 -5.674 -3.406 4.543 1.00 0.00 C ATOM 134 C PHE A 8 -4.271 -3.394 5.147 1.00 0.00 C ATOM 135 O PHE A 8 -3.932 -4.186 6.026 1.00 0.00 O ATOM 136 CB PHE A 8 -6.699 -2.854 5.545 1.00 0.00 C ATOM 137 CG PHE A 8 -7.187 -3.811 6.609 1.00 0.00 C ATOM 138 CD1 PHE A 8 -7.928 -4.936 6.277 1.00 0.00 C ATOM 139 CD2 PHE A 8 -6.931 -3.562 7.946 1.00 0.00 C ATOM 140 CE1 PHE A 8 -8.398 -5.793 7.255 1.00 0.00 C ATOM 141 CE2 PHE A 8 -7.404 -4.413 8.929 1.00 0.00 C ATOM 142 CZ PHE A 8 -8.134 -5.531 8.582 1.00 0.00 C ATOM 0 H PHE A 8 -6.832 -5.159 4.576 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.654 -2.752 3.672 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.259 -1.989 6.041 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.564 -2.496 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.141 -5.145 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.355 -2.692 8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.971 -6.666 6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.202 -4.202 9.969 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.498 -6.199 9.348 1.00 0.00 H new ATOM 152 N ALA A 9 -3.457 -2.474 4.668 1.00 0.00 N ATOM 153 CA ALA A 9 -2.078 -2.423 5.094 1.00 0.00 C ATOM 154 C ALA A 9 -1.698 -1.040 5.592 1.00 0.00 C ATOM 155 O ALA A 9 -2.173 -0.023 5.083 1.00 0.00 O ATOM 156 CB ALA A 9 -1.164 -2.850 3.961 1.00 0.00 C ATOM 0 H ALA A 9 -3.725 -1.760 3.991 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.959 -3.116 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.127 -2.807 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.407 -3.869 3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.300 -2.180 3.112 1.00 0.00 H new ATOM 162 N ILE A 10 -0.853 -1.031 6.605 1.00 0.00 N ATOM 163 CA ILE A 10 -0.310 0.186 7.167 1.00 0.00 C ATOM 164 C ILE A 10 0.983 0.544 6.452 1.00 0.00 C ATOM 165 O ILE A 10 2.013 -0.107 6.642 1.00 0.00 O ATOM 166 CB ILE A 10 -0.020 0.026 8.676 1.00 0.00 C ATOM 167 CG1 ILE A 10 -1.269 -0.468 9.409 1.00 0.00 C ATOM 168 CG2 ILE A 10 0.466 1.342 9.271 1.00 0.00 C ATOM 169 CD1 ILE A 10 -1.032 -0.769 10.874 1.00 0.00 C ATOM 0 H ILE A 10 -0.522 -1.879 7.065 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.049 0.977 7.036 1.00 0.00 H new ATOM 0 HB ILE A 10 0.769 -0.716 8.799 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.052 0.285 9.323 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.637 -1.368 8.917 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.665 1.209 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.381 1.653 8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.300 2.106 9.138 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.960 -1.114 11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.272 -1.544 10.968 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.693 0.135 11.381 1.00 0.00 H new ATOM 181 N LEU A 11 0.919 1.561 5.626 1.00 0.00 N ATOM 182 CA LEU A 11 2.092 1.983 4.926 1.00 0.00 C ATOM 183 C LEU A 11 2.623 3.217 5.613 1.00 0.00 C ATOM 184 O LEU A 11 1.889 3.920 6.306 1.00 0.00 O ATOM 185 CB LEU A 11 1.803 2.256 3.440 1.00 0.00 C ATOM 186 CG LEU A 11 0.642 3.211 3.136 1.00 0.00 C ATOM 187 CD1 LEU A 11 0.792 3.797 1.742 1.00 0.00 C ATOM 188 CD2 LEU A 11 -0.692 2.488 3.243 1.00 0.00 C ATOM 0 H LEU A 11 0.076 2.100 5.429 1.00 0.00 H new ATOM 0 HA LEU A 11 2.837 1.188 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.707 2.661 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.599 1.303 2.951 1.00 0.00 H new ATOM 0 HG LEU A 11 0.666 4.017 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.039 4.473 1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.731 4.347 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.792 2.992 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.502 3.184 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.718 1.665 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.814 2.097 4.253 1.00 0.00 H new ATOM 200 N ARG A 12 3.899 3.446 5.472 1.00 0.00 N ATOM 201 CA ARG A 12 4.509 4.618 6.095 1.00 0.00 C ATOM 202 C ARG A 12 5.589 5.235 5.217 1.00 0.00 C ATOM 203 O ARG A 12 6.183 4.546 4.389 1.00 0.00 O ATOM 204 CB ARG A 12 5.086 4.296 7.479 1.00 0.00 C ATOM 205 CG ARG A 12 6.190 3.255 7.485 1.00 0.00 C ATOM 206 CD ARG A 12 5.632 1.868 7.265 1.00 0.00 C ATOM 207 NE ARG A 12 6.643 0.836 7.476 1.00 0.00 N ATOM 208 CZ ARG A 12 6.510 -0.184 8.323 1.00 0.00 C ATOM 209 NH1 ARG A 12 5.427 -0.281 9.091 1.00 0.00 N ATOM 210 NH2 ARG A 12 7.474 -1.095 8.411 1.00 0.00 N ATOM 0 H ARG A 12 4.540 2.855 4.942 1.00 0.00 H new ATOM 0 HA ARG A 12 3.707 5.347 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.472 5.216 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.277 3.950 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.916 3.486 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.722 3.290 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.795 1.701 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.240 1.791 6.251 1.00 0.00 H new ATOM 0 HE ARG A 12 7.508 0.900 6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.695 0.427 9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.329 -1.063 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.310 -1.011 7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.378 -1.878 9.057 1.00 0.00 H new ATOM 224 N LEU A 13 5.834 6.544 5.391 1.00 0.00 N ATOM 225 CA LEU A 13 6.926 7.207 4.743 1.00 0.00 C ATOM 226 C LEU A 13 8.241 6.632 5.237 1.00 0.00 C ATOM 227 O LEU A 13 8.277 5.721 6.066 1.00 0.00 O ATOM 228 CB LEU A 13 6.864 8.706 5.071 1.00 0.00 C ATOM 229 CG LEU A 13 6.287 9.633 3.993 1.00 0.00 C ATOM 230 CD1 LEU A 13 7.010 9.453 2.666 1.00 0.00 C ATOM 231 CD2 LEU A 13 4.783 9.437 3.817 1.00 0.00 C ATOM 0 H LEU A 13 5.271 7.151 5.987 1.00 0.00 H new ATOM 0 HA LEU A 13 6.857 7.061 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.271 8.830 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.874 9.044 5.303 1.00 0.00 H new ATOM 0 HG LEU A 13 6.448 10.655 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.578 10.123 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.067 9.685 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.903 8.422 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.416 10.113 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.582 8.407 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.276 9.651 4.758 1.00 0.00 H new ATOM 243 N ALA A 14 9.306 7.224 4.774 1.00 0.00 N ATOM 244 CA ALA A 14 10.640 6.787 5.173 1.00 0.00 C ATOM 245 C ALA A 14 10.874 7.103 6.645 1.00 0.00 C ATOM 246 O ALA A 14 11.636 6.426 7.334 1.00 0.00 O ATOM 247 CB ALA A 14 11.702 7.443 4.303 1.00 0.00 C ATOM 0 H ALA A 14 9.291 8.008 4.122 1.00 0.00 H new ATOM 0 HA ALA A 14 10.712 5.708 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.689 7.104 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.538 7.169 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.640 8.526 4.408 1.00 0.00 H new ATOM 253 N ASP A 15 10.185 8.135 7.116 1.00 0.00 N ATOM 254 CA ASP A 15 10.242 8.536 8.515 1.00 0.00 C ATOM 255 C ASP A 15 9.480 7.541 9.390 1.00 0.00 C ATOM 256 O ASP A 15 9.713 7.442 10.595 1.00 0.00 O ATOM 257 CB ASP A 15 9.642 9.941 8.661 1.00 0.00 C ATOM 258 CG ASP A 15 9.618 10.439 10.092 1.00 0.00 C ATOM 259 OD1 ASP A 15 10.669 10.898 10.582 1.00 0.00 O ATOM 260 OD2 ASP A 15 8.542 10.394 10.725 1.00 0.00 O ATOM 0 H ASP A 15 9.574 8.715 6.541 1.00 0.00 H new ATOM 0 HA ASP A 15 11.281 8.548 8.843 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.216 10.638 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.625 9.936 8.269 1.00 0.00 H new ATOM 265 N GLY A 16 8.584 6.788 8.768 1.00 0.00 N ATOM 266 CA GLY A 16 7.742 5.886 9.524 1.00 0.00 C ATOM 267 C GLY A 16 6.456 6.564 9.922 1.00 0.00 C ATOM 268 O GLY A 16 5.900 6.306 10.987 1.00 0.00 O ATOM 0 H GLY A 16 8.426 6.786 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.522 5.000 8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.271 5.548 10.415 1.00 0.00 H new ATOM 272 N SER A 17 5.990 7.445 9.050 1.00 0.00 N ATOM 273 CA SER A 17 4.828 8.254 9.355 1.00 0.00 C ATOM 274 C SER A 17 4.130 8.694 8.079 1.00 0.00 C ATOM 275 O SER A 17 4.773 8.830 7.042 1.00 0.00 O ATOM 276 CB SER A 17 5.281 9.473 10.150 1.00 0.00 C ATOM 277 OG SER A 17 6.239 10.228 9.424 1.00 0.00 O ATOM 0 H SER A 17 6.399 7.615 8.131 1.00 0.00 H new ATOM 0 HA SER A 17 4.120 7.667 9.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.420 10.100 10.383 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.709 9.153 11.100 1.00 0.00 H new ATOM 0 HG SER A 17 6.913 10.582 10.041 1.00 0.00 H new ATOM 283 N GLN A 18 2.810 8.853 8.152 1.00 0.00 N ATOM 284 CA GLN A 18 2.019 9.468 7.084 1.00 0.00 C ATOM 285 C GLN A 18 0.635 9.771 7.586 1.00 0.00 C ATOM 286 O GLN A 18 0.031 8.924 8.239 1.00 0.00 O ATOM 287 CB GLN A 18 1.734 8.558 5.886 1.00 0.00 C ATOM 288 CG GLN A 18 2.749 7.507 5.520 1.00 0.00 C ATOM 289 CD GLN A 18 2.346 6.756 4.264 1.00 0.00 C ATOM 290 OE1 GLN A 18 2.807 7.211 3.112 1.00 0.00 O flip ATOM 291 NE2 GLN A 18 1.624 5.774 4.328 1.00 0.00 N flip ATOM 0 H GLN A 18 2.255 8.558 8.956 1.00 0.00 H new ATOM 0 HA GLN A 18 2.619 10.328 6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.787 8.052 6.073 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.588 9.195 5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.721 7.976 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.860 6.804 6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.285 5.448 5.233 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.360 5.279 3.476 1.00 0.00 H new ATOM 300 N PRO A 19 0.107 10.967 7.358 1.00 0.00 N ATOM 301 CA PRO A 19 -1.279 11.073 7.017 1.00 0.00 C ATOM 302 C PRO A 19 -1.462 11.582 5.586 1.00 0.00 C ATOM 303 O PRO A 19 -1.492 12.792 5.340 1.00 0.00 O ATOM 304 CB PRO A 19 -1.728 12.129 8.027 1.00 0.00 C ATOM 305 CG PRO A 19 -0.502 12.996 8.250 1.00 0.00 C ATOM 306 CD PRO A 19 0.680 12.279 7.611 1.00 0.00 C ATOM 0 HA PRO A 19 -1.829 10.133 7.053 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.563 12.715 7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.063 11.670 8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.641 13.981 7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.328 13.150 9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.012 12.767 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 19 1.542 12.231 8.277 1.00 0.00 H new ATOM 314 N PRO A 20 -1.560 10.670 4.610 1.00 0.00 N ATOM 315 CA PRO A 20 -2.072 10.968 3.300 1.00 0.00 C ATOM 316 C PRO A 20 -3.345 10.216 2.970 1.00 0.00 C ATOM 317 O PRO A 20 -3.320 9.112 2.427 1.00 0.00 O ATOM 318 CB PRO A 20 -0.920 10.470 2.476 1.00 0.00 C ATOM 319 CG PRO A 20 -0.458 9.226 3.184 1.00 0.00 C ATOM 320 CD PRO A 20 -0.965 9.338 4.608 1.00 0.00 C ATOM 0 HA PRO A 20 -2.357 12.010 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.229 10.253 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.124 11.212 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.852 8.333 2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.629 9.147 3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.695 8.564 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.159 9.249 5.337 1.00 0.00 H new ATOM 328 N PHE A 21 -4.447 10.843 3.214 1.00 0.00 N ATOM 329 CA PHE A 21 -5.706 10.180 3.056 1.00 0.00 C ATOM 330 C PHE A 21 -6.192 10.345 1.626 1.00 0.00 C ATOM 331 O PHE A 21 -6.551 11.436 1.183 1.00 0.00 O ATOM 332 CB PHE A 21 -6.627 10.746 4.112 1.00 0.00 C ATOM 333 CG PHE A 21 -8.038 11.032 3.684 1.00 0.00 C ATOM 334 CD1 PHE A 21 -8.979 10.017 3.638 1.00 0.00 C ATOM 335 CD2 PHE A 21 -8.431 12.318 3.350 1.00 0.00 C ATOM 336 CE1 PHE A 21 -10.279 10.277 3.262 1.00 0.00 C ATOM 337 CE2 PHE A 21 -9.730 12.581 2.969 1.00 0.00 C ATOM 338 CZ PHE A 21 -10.657 11.560 2.925 1.00 0.00 C ATOM 0 H PHE A 21 -4.506 11.813 3.524 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.649 9.102 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.659 10.047 4.948 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.189 11.671 4.487 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.691 9.010 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.712 13.123 3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.002 9.476 3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.022 13.587 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.675 11.765 2.628 1.00 0.00 H new ATOM 348 N GLY A 22 -6.141 9.247 0.897 1.00 0.00 N ATOM 349 CA GLY A 22 -6.341 9.280 -0.516 1.00 0.00 C ATOM 350 C GLY A 22 -5.117 8.745 -1.204 1.00 0.00 C ATOM 351 O GLY A 22 -5.064 8.685 -2.430 1.00 0.00 O ATOM 0 H GLY A 22 -5.960 8.318 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.213 8.684 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.539 10.301 -0.843 1.00 0.00 H new ATOM 355 N ALA A 23 -4.116 8.372 -0.386 1.00 0.00 N ATOM 356 CA ALA A 23 -2.914 7.731 -0.897 1.00 0.00 C ATOM 357 C ALA A 23 -3.286 6.474 -1.669 1.00 0.00 C ATOM 358 O ALA A 23 -3.559 5.419 -1.092 1.00 0.00 O ATOM 359 CB ALA A 23 -1.952 7.407 0.229 1.00 0.00 C ATOM 0 H ALA A 23 -4.125 8.507 0.625 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.411 8.422 -1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.062 6.929 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.668 8.327 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.434 6.733 0.937 1.00 0.00 H new ATOM 365 N SER A 24 -3.393 6.669 -2.965 1.00 0.00 N ATOM 366 CA SER A 24 -3.719 5.615 -3.920 1.00 0.00 C ATOM 367 C SER A 24 -2.585 4.614 -4.116 1.00 0.00 C ATOM 368 O SER A 24 -1.685 4.853 -4.910 1.00 0.00 O ATOM 369 CB SER A 24 -4.024 6.274 -5.265 1.00 0.00 C ATOM 370 OG SER A 24 -5.420 6.414 -5.475 1.00 0.00 O ATOM 0 H SER A 24 -3.254 7.581 -3.400 1.00 0.00 H new ATOM 0 HA SER A 24 -4.572 5.062 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.550 7.254 -5.306 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.593 5.677 -6.069 1.00 0.00 H new ATOM 0 HG SER A 24 -5.579 6.840 -6.343 1.00 0.00 H new ATOM 376 N VAL A 25 -2.635 3.490 -3.423 1.00 0.00 N ATOM 377 CA VAL A 25 -1.622 2.469 -3.642 1.00 0.00 C ATOM 378 C VAL A 25 -1.996 1.579 -4.835 1.00 0.00 C ATOM 379 O VAL A 25 -3.016 0.855 -4.795 1.00 0.00 O ATOM 380 CB VAL A 25 -1.377 1.598 -2.383 1.00 0.00 C ATOM 381 CG1 VAL A 25 -0.769 2.423 -1.262 1.00 0.00 C ATOM 382 CG2 VAL A 25 -2.651 0.938 -1.892 1.00 0.00 C ATOM 0 H VAL A 25 -3.342 3.263 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.692 2.992 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.678 0.815 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.607 1.789 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.184 2.838 -1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.447 3.235 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.433 0.338 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.383 1.704 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.054 0.297 -2.676 1.00 0.00 H new ATOM 392 N THR A 26 -1.181 1.667 -5.905 1.00 0.00 N ATOM 393 CA THR A 26 -1.386 0.867 -7.121 1.00 0.00 C ATOM 394 C THR A 26 -0.044 0.464 -7.687 1.00 0.00 C ATOM 395 O THR A 26 0.823 1.310 -7.858 1.00 0.00 O ATOM 396 CB THR A 26 -2.187 1.617 -8.220 1.00 0.00 C ATOM 397 OG1 THR A 26 -1.775 1.180 -9.521 1.00 0.00 O ATOM 398 CG2 THR A 26 -2.020 3.126 -8.109 1.00 0.00 C ATOM 0 H THR A 26 -0.373 2.288 -5.948 1.00 0.00 H new ATOM 0 HA THR A 26 -1.972 -0.004 -6.829 1.00 0.00 H new ATOM 0 HB THR A 26 -3.241 1.382 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.733 1.950 -10.126 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.596 3.615 -8.895 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.378 3.461 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.967 3.384 -8.217 1.00 0.00 H new ATOM 406 N SER A 27 0.134 -0.814 -7.998 1.00 0.00 N ATOM 407 CA SER A 27 1.457 -1.259 -8.403 1.00 0.00 C ATOM 408 C SER A 27 1.812 -0.695 -9.780 1.00 0.00 C ATOM 409 O SER A 27 0.979 -0.049 -10.412 1.00 0.00 O ATOM 410 CB SER A 27 1.556 -2.790 -8.407 1.00 0.00 C ATOM 411 OG SER A 27 0.824 -3.364 -9.479 1.00 0.00 O ATOM 0 H SER A 27 -0.589 -1.533 -7.979 1.00 0.00 H new ATOM 0 HA SER A 27 2.174 -0.882 -7.674 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.602 -3.086 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.181 -3.181 -7.461 1.00 0.00 H new ATOM 0 HG SER A 27 0.964 -4.334 -9.488 1.00 0.00 H new ATOM 417 N GLU A 28 3.033 -0.959 -10.253 1.00 0.00 N ATOM 418 CA GLU A 28 3.454 -0.457 -11.570 1.00 0.00 C ATOM 419 C GLU A 28 2.533 -0.963 -12.680 1.00 0.00 C ATOM 420 O GLU A 28 2.485 -0.397 -13.771 1.00 0.00 O ATOM 421 CB GLU A 28 4.892 -0.881 -11.886 1.00 0.00 C ATOM 422 CG GLU A 28 5.905 -0.510 -10.819 1.00 0.00 C ATOM 423 CD GLU A 28 5.873 0.958 -10.466 1.00 0.00 C ATOM 424 OE1 GLU A 28 6.521 1.765 -11.170 1.00 0.00 O ATOM 425 OE2 GLU A 28 5.208 1.307 -9.471 1.00 0.00 O ATOM 0 H GLU A 28 3.737 -1.506 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 28 3.397 0.631 -11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.915 -1.961 -12.032 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.193 -0.425 -12.829 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.713 -1.099 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.904 -0.774 -11.166 1.00 0.00 H new ATOM 432 N LYS A 29 1.816 -2.042 -12.399 1.00 0.00 N ATOM 433 CA LYS A 29 0.886 -2.613 -13.363 1.00 0.00 C ATOM 434 C LYS A 29 -0.487 -1.948 -13.260 1.00 0.00 C ATOM 435 O LYS A 29 -1.309 -2.055 -14.170 1.00 0.00 O ATOM 436 CB LYS A 29 0.769 -4.126 -13.151 1.00 0.00 C ATOM 437 CG LYS A 29 2.062 -4.881 -13.434 1.00 0.00 C ATOM 438 CD LYS A 29 1.900 -6.383 -13.232 1.00 0.00 C ATOM 439 CE LYS A 29 1.775 -6.751 -11.759 1.00 0.00 C ATOM 440 NZ LYS A 29 3.023 -6.460 -11.003 1.00 0.00 N ATOM 0 H LYS A 29 1.861 -2.540 -11.510 1.00 0.00 H new ATOM 0 HA LYS A 29 1.273 -2.428 -14.365 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.463 -4.318 -12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.019 -4.515 -13.796 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.380 -4.685 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.850 -4.510 -12.779 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.016 -6.727 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.756 -6.901 -13.664 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.946 -6.198 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.536 -7.811 -11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.196 -7.219 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.824 -6.404 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.923 -5.554 -10.503 1.00 0.00 H new ATOM 454 N GLY A 30 -0.732 -1.265 -12.146 1.00 0.00 N ATOM 455 CA GLY A 30 -1.996 -0.623 -11.959 1.00 0.00 C ATOM 456 C GLY A 30 -2.846 -1.486 -11.105 1.00 0.00 C ATOM 457 O GLY A 30 -4.072 -1.384 -11.111 1.00 0.00 O ATOM 0 H GLY A 30 -0.071 -1.152 -11.377 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.859 0.352 -11.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.478 -0.451 -12.921 1.00 0.00 H new ATOM 461 N ARG A 31 -2.181 -2.397 -10.406 1.00 0.00 N ATOM 462 CA ARG A 31 -2.843 -3.120 -9.366 1.00 0.00 C ATOM 463 C ARG A 31 -3.245 -2.133 -8.298 1.00 0.00 C ATOM 464 O ARG A 31 -2.445 -1.804 -7.429 1.00 0.00 O ATOM 465 CB ARG A 31 -1.954 -4.202 -8.751 1.00 0.00 C ATOM 466 CG ARG A 31 -2.203 -5.605 -9.273 1.00 0.00 C ATOM 467 CD ARG A 31 -1.337 -6.606 -8.526 1.00 0.00 C ATOM 468 NE ARG A 31 -1.648 -7.989 -8.880 1.00 0.00 N ATOM 469 CZ ARG A 31 -0.753 -8.977 -8.859 1.00 0.00 C ATOM 470 NH1 ARG A 31 0.514 -8.720 -8.540 1.00 0.00 N ATOM 471 NH2 ARG A 31 -1.121 -10.215 -9.166 1.00 0.00 N ATOM 0 H ARG A 31 -1.200 -2.639 -10.548 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.710 -3.625 -9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.911 -3.942 -8.933 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.099 -4.201 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.255 -5.864 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.983 -5.648 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.288 -6.406 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.473 -6.470 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.604 -8.211 -9.159 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.799 -7.768 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.199 -9.475 -8.524 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.090 -10.411 -9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.435 -10.970 -9.150 1.00 0.00 H new ATOM 485 N GLU A 32 -4.440 -1.601 -8.409 1.00 0.00 N ATOM 486 CA GLU A 32 -4.871 -0.606 -7.459 1.00 0.00 C ATOM 487 C GLU A 32 -5.361 -1.297 -6.201 1.00 0.00 C ATOM 488 O GLU A 32 -6.528 -1.678 -6.088 1.00 0.00 O ATOM 489 CB GLU A 32 -5.935 0.295 -8.079 1.00 0.00 C ATOM 490 CG GLU A 32 -5.530 0.830 -9.444 1.00 0.00 C ATOM 491 CD GLU A 32 -6.367 2.011 -9.884 1.00 0.00 C ATOM 492 OE1 GLU A 32 -6.019 3.159 -9.528 1.00 0.00 O ATOM 493 OE2 GLU A 32 -7.379 1.797 -10.591 1.00 0.00 O ATOM 0 H GLU A 32 -5.119 -1.835 -9.133 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.035 0.038 -7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.867 -0.263 -8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.131 1.132 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.481 1.124 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.618 0.033 -10.182 1.00 0.00 H new ATOM 500 N LEU A 33 -4.422 -1.507 -5.293 1.00 0.00 N ATOM 501 CA LEU A 33 -4.681 -2.239 -4.070 1.00 0.00 C ATOM 502 C LEU A 33 -5.640 -1.474 -3.181 1.00 0.00 C ATOM 503 O LEU A 33 -6.628 -2.036 -2.690 1.00 0.00 O ATOM 504 CB LEU A 33 -3.372 -2.513 -3.315 1.00 0.00 C ATOM 505 CG LEU A 33 -2.591 -3.762 -3.747 1.00 0.00 C ATOM 506 CD1 LEU A 33 -2.166 -3.679 -5.199 1.00 0.00 C ATOM 507 CD2 LEU A 33 -1.372 -3.963 -2.865 1.00 0.00 C ATOM 0 H LEU A 33 -3.462 -1.175 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.137 -3.192 -4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.722 -1.646 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.601 -2.602 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.258 -4.617 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.616 -4.580 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.049 -3.589 -5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.527 -2.807 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.832 -4.853 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.719 -3.094 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.689 -4.086 -1.829 1.00 0.00 H new ATOM 519 N GLY A 34 -5.363 -0.190 -2.973 1.00 0.00 N ATOM 520 CA GLY A 34 -6.239 0.561 -2.089 1.00 0.00 C ATOM 521 C GLY A 34 -5.883 2.025 -1.967 1.00 0.00 C ATOM 522 O GLY A 34 -5.175 2.575 -2.807 1.00 0.00 O ATOM 0 H GLY A 34 -4.583 0.327 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.263 0.476 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.213 0.108 -1.098 1.00 0.00 H new ATOM 526 N MET A 35 -6.396 2.652 -0.912 1.00 0.00 N ATOM 527 CA MET A 35 -6.227 4.089 -0.680 1.00 0.00 C ATOM 528 C MET A 35 -6.225 4.351 0.806 1.00 0.00 C ATOM 529 O MET A 35 -6.977 3.711 1.542 1.00 0.00 O ATOM 530 CB MET A 35 -7.373 4.865 -1.317 1.00 0.00 C ATOM 531 CG MET A 35 -7.616 4.449 -2.741 1.00 0.00 C ATOM 532 SD MET A 35 -9.299 4.786 -3.296 1.00 0.00 S ATOM 533 CE MET A 35 -9.257 4.098 -4.948 1.00 0.00 C ATOM 0 H MET A 35 -6.942 2.180 -0.191 1.00 0.00 H new ATOM 0 HA MET A 35 -5.286 4.413 -1.124 1.00 0.00 H new ATOM 0 HB2 MET A 35 -8.282 4.711 -0.735 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.150 5.931 -1.284 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.914 4.971 -3.391 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.413 3.383 -2.842 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.230 4.230 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.494 4.609 -5.536 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.021 3.035 -4.894 1.00 0.00 H new ATOM 543 N VAL A 36 -5.378 5.261 1.260 1.00 0.00 N ATOM 544 CA VAL A 36 -5.293 5.540 2.688 1.00 0.00 C ATOM 545 C VAL A 36 -6.539 6.250 3.187 1.00 0.00 C ATOM 546 O VAL A 36 -6.966 7.250 2.616 1.00 0.00 O ATOM 547 CB VAL A 36 -4.065 6.390 3.056 1.00 0.00 C ATOM 548 CG1 VAL A 36 -4.180 6.906 4.481 1.00 0.00 C ATOM 549 CG2 VAL A 36 -2.791 5.590 2.913 1.00 0.00 C ATOM 0 H VAL A 36 -4.749 5.811 0.675 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.198 4.568 3.171 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.030 7.235 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.302 7.505 4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.076 7.520 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.245 6.063 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.938 6.214 3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.828 4.725 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.687 5.253 1.882 1.00 0.00 H new ATOM 559 N ALA A 37 -7.117 5.722 4.250 1.00 0.00 N ATOM 560 CA ALA A 37 -8.203 6.398 4.925 1.00 0.00 C ATOM 561 C ALA A 37 -7.804 6.679 6.364 1.00 0.00 C ATOM 562 O ALA A 37 -7.951 5.816 7.234 1.00 0.00 O ATOM 563 CB ALA A 37 -9.481 5.579 4.863 1.00 0.00 C ATOM 0 H ALA A 37 -6.851 4.828 4.662 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.401 7.343 4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.280 6.112 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.762 5.422 3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.319 4.615 5.344 1.00 0.00 H new ATOM 569 N ASP A 38 -7.252 7.879 6.578 1.00 0.00 N ATOM 570 CA ASP A 38 -6.751 8.322 7.887 1.00 0.00 C ATOM 571 C ASP A 38 -5.427 7.646 8.232 1.00 0.00 C ATOM 572 O ASP A 38 -5.265 6.438 8.036 1.00 0.00 O ATOM 573 CB ASP A 38 -7.767 8.082 9.009 1.00 0.00 C ATOM 574 CG ASP A 38 -9.033 8.888 8.830 1.00 0.00 C ATOM 575 OD1 ASP A 38 -9.031 10.094 9.174 1.00 0.00 O ATOM 576 OD2 ASP A 38 -10.037 8.327 8.347 1.00 0.00 O ATOM 0 H ASP A 38 -7.139 8.577 5.842 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.589 9.397 7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.018 7.022 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.312 8.335 9.966 1.00 0.00 H new ATOM 581 N GLU A 39 -4.485 8.442 8.749 1.00 0.00 N ATOM 582 CA GLU A 39 -3.157 7.949 9.104 1.00 0.00 C ATOM 583 C GLU A 39 -2.474 7.340 7.888 1.00 0.00 C ATOM 584 O GLU A 39 -2.635 7.834 6.778 1.00 0.00 O ATOM 585 CB GLU A 39 -3.248 6.926 10.240 1.00 0.00 C ATOM 586 CG GLU A 39 -3.904 7.464 11.499 1.00 0.00 C ATOM 587 CD GLU A 39 -3.913 6.451 12.625 1.00 0.00 C ATOM 588 OE1 GLU A 39 -2.898 6.351 13.348 1.00 0.00 O ATOM 589 OE2 GLU A 39 -4.934 5.758 12.805 1.00 0.00 O ATOM 0 H GLU A 39 -4.623 9.436 8.930 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.558 8.791 9.450 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.809 6.059 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.244 6.579 10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.377 8.361 11.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.928 7.761 11.273 1.00 0.00 H new ATOM 596 N GLY A 40 -1.692 6.295 8.103 1.00 0.00 N ATOM 597 CA GLY A 40 -1.055 5.622 6.991 1.00 0.00 C ATOM 598 C GLY A 40 -1.609 4.229 6.798 1.00 0.00 C ATOM 599 O GLY A 40 -0.885 3.245 6.916 1.00 0.00 O ATOM 0 H GLY A 40 -1.487 5.902 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.201 6.203 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.020 5.567 7.165 1.00 0.00 H new ATOM 603 N LEU A 41 -2.898 4.139 6.521 1.00 0.00 N ATOM 604 CA LEU A 41 -3.539 2.846 6.368 1.00 0.00 C ATOM 605 C LEU A 41 -4.425 2.842 5.129 1.00 0.00 C ATOM 606 O LEU A 41 -5.442 3.539 5.080 1.00 0.00 O ATOM 607 CB LEU A 41 -4.373 2.535 7.616 1.00 0.00 C ATOM 608 CG LEU A 41 -4.630 1.050 7.917 1.00 0.00 C ATOM 609 CD1 LEU A 41 -5.235 0.889 9.302 1.00 0.00 C ATOM 610 CD2 LEU A 41 -5.547 0.422 6.879 1.00 0.00 C ATOM 0 H LEU A 41 -3.517 4.940 6.398 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.774 2.079 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.874 2.976 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.337 3.034 7.515 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.670 0.535 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.412 -0.168 9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.548 1.289 10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.180 1.430 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.707 -0.628 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.504 0.944 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.088 0.500 5.893 1.00 0.00 H new ATOM 622 N ALA A 42 -4.031 2.070 4.130 1.00 0.00 N ATOM 623 CA ALA A 42 -4.889 1.895 2.966 1.00 0.00 C ATOM 624 C ALA A 42 -5.495 0.507 2.992 1.00 0.00 C ATOM 625 O ALA A 42 -5.005 -0.378 3.690 1.00 0.00 O ATOM 626 CB ALA A 42 -4.142 2.131 1.647 1.00 0.00 C ATOM 0 H ALA A 42 -3.145 1.565 4.098 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.678 2.645 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.826 1.988 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.752 3.149 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.316 1.424 1.565 1.00 0.00 H new ATOM 632 N TRP A 43 -6.561 0.325 2.247 1.00 0.00 N ATOM 633 CA TRP A 43 -7.217 -0.964 2.179 1.00 0.00 C ATOM 634 C TRP A 43 -6.729 -1.745 0.974 1.00 0.00 C ATOM 635 O TRP A 43 -7.325 -1.644 -0.094 1.00 0.00 O ATOM 636 CB TRP A 43 -8.710 -0.726 2.117 1.00 0.00 C ATOM 637 CG TRP A 43 -9.118 -0.525 3.498 1.00 0.00 C ATOM 638 CD1 TRP A 43 -8.921 0.585 4.259 1.00 0.00 C ATOM 639 CD2 TRP A 43 -9.655 -1.520 4.335 1.00 0.00 C ATOM 640 NE1 TRP A 43 -9.286 0.325 5.540 1.00 0.00 N ATOM 641 CE2 TRP A 43 -9.747 -0.961 5.602 1.00 0.00 C ATOM 642 CE3 TRP A 43 -10.069 -2.840 4.135 1.00 0.00 C ATOM 643 CZ2 TRP A 43 -10.212 -1.662 6.665 1.00 0.00 C ATOM 644 CZ3 TRP A 43 -10.557 -3.543 5.212 1.00 0.00 C ATOM 645 CH2 TRP A 43 -10.617 -2.952 6.475 1.00 0.00 C ATOM 0 H TRP A 43 -6.994 1.053 1.678 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.980 -1.559 3.061 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.946 0.145 1.505 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -9.227 -1.577 1.673 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.534 1.527 3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -9.227 0.977 6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.007 -3.297 3.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.261 -1.209 7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.896 -4.560 5.079 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -10.989 -3.523 7.313 1.00 0.00 H new ATOM 656 N LEU A 44 -5.643 -2.512 1.108 1.00 0.00 N ATOM 657 CA LEU A 44 -5.047 -3.022 -0.111 1.00 0.00 C ATOM 658 C LEU A 44 -5.639 -4.369 -0.490 1.00 0.00 C ATOM 659 O LEU A 44 -5.089 -5.419 -0.184 1.00 0.00 O ATOM 660 CB LEU A 44 -3.518 -3.149 0.033 1.00 0.00 C ATOM 661 CG LEU A 44 -2.732 -1.833 0.141 1.00 0.00 C ATOM 662 CD1 LEU A 44 -2.969 -1.154 1.474 1.00 0.00 C ATOM 663 CD2 LEU A 44 -1.245 -2.074 -0.054 1.00 0.00 C ATOM 0 H LEU A 44 -5.191 -2.775 1.984 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.269 -2.308 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.307 -3.747 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.139 -3.705 -0.825 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.093 -1.175 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.398 -0.226 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.030 -0.932 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.649 -1.814 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.709 -1.128 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.884 -2.762 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.073 -2.506 -1.040 1.00 0.00 H new ATOM 675 N SER A 45 -6.713 -4.319 -1.248 1.00 0.00 N ATOM 676 CA SER A 45 -7.263 -5.501 -1.832 1.00 0.00 C ATOM 677 C SER A 45 -6.563 -5.779 -3.145 1.00 0.00 C ATOM 678 O SER A 45 -6.981 -5.336 -4.213 1.00 0.00 O ATOM 679 CB SER A 45 -8.769 -5.331 -2.032 1.00 0.00 C ATOM 680 OG SER A 45 -9.064 -4.055 -2.576 1.00 0.00 O ATOM 0 H SER A 45 -7.218 -3.461 -1.469 1.00 0.00 H new ATOM 0 HA SER A 45 -7.108 -6.351 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.142 -6.110 -2.697 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.283 -5.452 -1.079 1.00 0.00 H new ATOM 0 HG SER A 45 -8.517 -3.906 -3.375 1.00 0.00 H new ATOM 686 N GLY A 46 -5.467 -6.485 -3.034 1.00 0.00 N ATOM 687 CA GLY A 46 -4.738 -6.882 -4.224 1.00 0.00 C ATOM 688 C GLY A 46 -3.262 -7.032 -3.963 1.00 0.00 C ATOM 689 O GLY A 46 -2.441 -6.901 -4.869 1.00 0.00 O ATOM 0 H GLY A 46 -5.061 -6.795 -2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.137 -7.826 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.893 -6.140 -5.008 1.00 0.00 H new ATOM 693 N VAL A 47 -2.924 -7.330 -2.722 1.00 0.00 N ATOM 694 CA VAL A 47 -1.525 -7.418 -2.359 1.00 0.00 C ATOM 695 C VAL A 47 -0.965 -8.800 -2.676 1.00 0.00 C ATOM 696 O VAL A 47 -1.413 -9.814 -2.138 1.00 0.00 O ATOM 697 CB VAL A 47 -1.298 -7.067 -0.868 1.00 0.00 C ATOM 698 CG1 VAL A 47 -2.155 -7.933 0.044 1.00 0.00 C ATOM 699 CG2 VAL A 47 0.175 -7.188 -0.505 1.00 0.00 C ATOM 0 H VAL A 47 -3.583 -7.511 -1.965 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.988 -6.683 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.604 -6.031 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.971 -7.660 1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.208 -7.778 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.901 -8.982 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.312 -6.937 0.547 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.510 -8.210 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.759 -6.504 -1.121 1.00 0.00 H new ATOM 709 N THR A 48 -0.026 -8.836 -3.599 1.00 0.00 N ATOM 710 CA THR A 48 0.694 -10.058 -3.878 1.00 0.00 C ATOM 711 C THR A 48 2.156 -9.854 -3.522 1.00 0.00 C ATOM 712 O THR A 48 2.780 -8.902 -3.984 1.00 0.00 O ATOM 713 CB THR A 48 0.566 -10.473 -5.355 1.00 0.00 C ATOM 714 OG1 THR A 48 -0.816 -10.475 -5.740 1.00 0.00 O ATOM 715 CG2 THR A 48 1.157 -11.857 -5.589 1.00 0.00 C ATOM 0 H THR A 48 0.255 -8.036 -4.166 1.00 0.00 H new ATOM 0 HA THR A 48 0.263 -10.859 -3.278 1.00 0.00 H new ATOM 0 HB THR A 48 1.119 -9.753 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.893 -10.738 -6.681 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.053 -12.124 -6.641 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.213 -11.852 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.629 -12.587 -4.975 1.00 0.00 H new ATOM 723 N PRO A 49 2.698 -10.720 -2.665 1.00 0.00 N ATOM 724 CA PRO A 49 4.076 -10.611 -2.180 1.00 0.00 C ATOM 725 C PRO A 49 5.094 -10.512 -3.314 1.00 0.00 C ATOM 726 O PRO A 49 5.021 -11.267 -4.287 1.00 0.00 O ATOM 727 CB PRO A 49 4.290 -11.910 -1.389 1.00 0.00 C ATOM 728 CG PRO A 49 3.147 -12.798 -1.757 1.00 0.00 C ATOM 729 CD PRO A 49 2.011 -11.887 -2.104 1.00 0.00 C ATOM 0 HA PRO A 49 4.218 -9.706 -1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.243 -12.372 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.307 -11.717 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 49 3.406 -13.438 -2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.881 -13.455 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.331 -12.342 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.418 -11.626 -1.227 1.00 0.00 H new ATOM 737 N GLY A 50 6.035 -9.576 -3.198 1.00 0.00 N ATOM 738 CA GLY A 50 7.085 -9.490 -4.193 1.00 0.00 C ATOM 739 C GLY A 50 6.778 -8.479 -5.277 1.00 0.00 C ATOM 740 O GLY A 50 7.106 -8.694 -6.445 1.00 0.00 O ATOM 0 H GLY A 50 6.087 -8.889 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.022 -9.221 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.232 -10.470 -4.647 1.00 0.00 H new ATOM 744 N GLU A 51 6.135 -7.386 -4.896 1.00 0.00 N ATOM 745 CA GLU A 51 5.797 -6.348 -5.859 1.00 0.00 C ATOM 746 C GLU A 51 6.495 -5.052 -5.556 1.00 0.00 C ATOM 747 O GLU A 51 7.220 -4.909 -4.568 1.00 0.00 O ATOM 748 CB GLU A 51 4.305 -6.046 -5.842 1.00 0.00 C ATOM 749 CG GLU A 51 3.453 -7.144 -6.390 1.00 0.00 C ATOM 750 CD GLU A 51 3.127 -6.979 -7.861 1.00 0.00 C ATOM 751 OE1 GLU A 51 3.900 -7.481 -8.699 1.00 0.00 O ATOM 752 OE2 GLU A 51 2.087 -6.365 -8.194 1.00 0.00 O ATOM 0 H GLU A 51 5.839 -7.195 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 51 6.111 -6.734 -6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.999 -5.841 -4.816 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.123 -5.138 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.963 -8.096 -6.243 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.523 -7.189 -5.823 1.00 0.00 H new ATOM 759 N THR A 52 6.220 -4.102 -6.413 1.00 0.00 N ATOM 760 CA THR A 52 6.545 -2.734 -6.123 1.00 0.00 C ATOM 761 C THR A 52 5.342 -1.865 -6.473 1.00 0.00 C ATOM 762 O THR A 52 4.621 -2.141 -7.438 1.00 0.00 O ATOM 763 CB THR A 52 7.824 -2.258 -6.851 1.00 0.00 C ATOM 764 OG1 THR A 52 8.188 -0.948 -6.403 1.00 0.00 O ATOM 765 CG2 THR A 52 7.636 -2.255 -8.361 1.00 0.00 C ATOM 0 H THR A 52 5.772 -4.253 -7.317 1.00 0.00 H new ATOM 0 HA THR A 52 6.767 -2.645 -5.060 1.00 0.00 H new ATOM 0 HB THR A 52 8.624 -2.958 -6.611 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.000 -0.657 -6.869 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.554 -1.915 -8.841 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.401 -3.264 -8.700 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.819 -1.584 -8.625 1.00 0.00 H new ATOM 773 N LEU A 53 5.111 -0.843 -5.673 1.00 0.00 N ATOM 774 CA LEU A 53 3.867 -0.120 -5.711 1.00 0.00 C ATOM 775 C LEU A 53 4.072 1.345 -6.003 1.00 0.00 C ATOM 776 O LEU A 53 5.148 1.870 -5.779 1.00 0.00 O ATOM 777 CB LEU A 53 3.189 -0.228 -4.366 1.00 0.00 C ATOM 778 CG LEU A 53 1.696 -0.482 -4.435 1.00 0.00 C ATOM 779 CD1 LEU A 53 1.400 -1.794 -5.127 1.00 0.00 C ATOM 780 CD2 LEU A 53 1.082 -0.485 -3.068 1.00 0.00 C ATOM 0 H LEU A 53 5.779 -0.496 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 53 3.262 -0.557 -6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.657 -1.034 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.363 0.693 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 53 1.257 0.330 -5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.322 -1.951 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.797 -1.768 -6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.868 -2.610 -4.576 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.011 -0.670 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.540 -1.269 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.248 0.482 -2.592 1.00 0.00 H new ATOM 792 N SER A 54 3.017 1.997 -6.457 1.00 0.00 N ATOM 793 CA SER A 54 3.023 3.434 -6.618 1.00 0.00 C ATOM 794 C SER A 54 1.814 4.063 -5.963 1.00 0.00 C ATOM 795 O SER A 54 0.687 3.640 -6.175 1.00 0.00 O ATOM 796 CB SER A 54 3.131 3.829 -8.093 1.00 0.00 C ATOM 797 OG SER A 54 4.433 3.579 -8.593 1.00 0.00 O ATOM 0 H SER A 54 2.141 1.547 -6.722 1.00 0.00 H new ATOM 0 HA SER A 54 3.908 3.820 -6.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.400 3.270 -8.677 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.890 4.886 -8.208 1.00 0.00 H new ATOM 0 HG SER A 54 4.420 2.774 -9.151 1.00 0.00 H new ATOM 803 N VAL A 55 2.066 5.082 -5.152 1.00 0.00 N ATOM 804 CA VAL A 55 1.043 5.599 -4.270 1.00 0.00 C ATOM 805 C VAL A 55 0.723 7.064 -4.556 1.00 0.00 C ATOM 806 O VAL A 55 1.514 7.970 -4.250 1.00 0.00 O ATOM 807 CB VAL A 55 1.479 5.430 -2.808 1.00 0.00 C ATOM 808 CG1 VAL A 55 0.332 5.716 -1.858 1.00 0.00 C ATOM 809 CG2 VAL A 55 2.048 4.030 -2.597 1.00 0.00 C ATOM 0 H VAL A 55 2.965 5.560 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 55 0.133 5.026 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 55 2.262 6.156 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.671 5.588 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.013 6.740 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.487 5.026 -2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.356 3.915 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.286 3.288 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.910 3.885 -3.249 1.00 0.00 H new ATOM 819 N ASN A 56 -0.436 7.275 -5.169 1.00 0.00 N ATOM 820 CA ASN A 56 -0.936 8.609 -5.468 1.00 0.00 C ATOM 821 C ASN A 56 -1.497 9.258 -4.221 1.00 0.00 C ATOM 822 O ASN A 56 -2.688 9.175 -3.930 1.00 0.00 O ATOM 823 CB ASN A 56 -2.020 8.567 -6.557 1.00 0.00 C ATOM 824 CG ASN A 56 -1.511 8.883 -7.948 1.00 0.00 C ATOM 825 OD1 ASN A 56 -0.610 9.696 -8.125 1.00 0.00 O ATOM 826 ND2 ASN A 56 -2.094 8.238 -8.948 1.00 0.00 N ATOM 0 H ASN A 56 -1.056 6.524 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.097 9.199 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.474 7.576 -6.564 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.806 9.277 -6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.796 8.410 -9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.840 7.569 -8.757 1.00 0.00 H new ATOM 833 N TRP A 57 -0.612 9.871 -3.482 1.00 0.00 N ATOM 834 CA TRP A 57 -0.977 10.603 -2.300 1.00 0.00 C ATOM 835 C TRP A 57 -1.463 12.010 -2.685 1.00 0.00 C ATOM 836 O TRP A 57 -1.044 12.543 -3.693 1.00 0.00 O ATOM 837 CB TRP A 57 0.240 10.561 -1.338 1.00 0.00 C ATOM 838 CG TRP A 57 0.398 11.700 -0.380 1.00 0.00 C ATOM 839 CD1 TRP A 57 -0.517 12.634 -0.036 1.00 0.00 C ATOM 840 CD2 TRP A 57 1.564 12.011 0.374 1.00 0.00 C ATOM 841 NE1 TRP A 57 0.018 13.547 0.801 1.00 0.00 N ATOM 842 CE2 TRP A 57 1.282 13.178 1.083 1.00 0.00 C ATOM 843 CE3 TRP A 57 2.826 11.438 0.508 1.00 0.00 C ATOM 844 CZ2 TRP A 57 2.185 13.790 1.887 1.00 0.00 C ATOM 845 CZ3 TRP A 57 3.739 12.058 1.341 1.00 0.00 C ATOM 846 CH2 TRP A 57 3.413 13.230 2.019 1.00 0.00 C ATOM 0 H TRP A 57 0.388 9.876 -3.684 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.821 10.160 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.181 9.639 -0.759 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.145 10.500 -1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.539 12.647 -0.384 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.455 14.377 1.160 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.085 10.534 -0.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.933 14.701 2.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.721 11.626 1.468 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.147 13.699 2.658 1.00 0.00 H new ATOM 857 N ASP A 58 -2.420 12.542 -1.908 1.00 0.00 N ATOM 858 CA ASP A 58 -2.883 13.946 -1.991 1.00 0.00 C ATOM 859 C ASP A 58 -1.991 14.850 -2.840 1.00 0.00 C ATOM 860 O ASP A 58 -2.436 15.348 -3.876 1.00 0.00 O ATOM 861 CB ASP A 58 -2.976 14.557 -0.595 1.00 0.00 C ATOM 862 CG ASP A 58 -4.129 14.019 0.217 1.00 0.00 C ATOM 863 OD1 ASP A 58 -5.280 14.419 -0.045 1.00 0.00 O ATOM 864 OD2 ASP A 58 -3.882 13.202 1.131 1.00 0.00 O ATOM 0 H ASP A 58 -2.905 12.003 -1.191 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.858 13.895 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.045 14.368 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.078 15.638 -0.685 1.00 0.00 H new ATOM 869 N GLY A 59 -0.735 15.072 -2.414 1.00 0.00 N ATOM 870 CA GLY A 59 0.111 15.955 -3.212 1.00 0.00 C ATOM 871 C GLY A 59 0.382 15.456 -4.638 1.00 0.00 C ATOM 872 O GLY A 59 0.320 16.232 -5.589 1.00 0.00 O ATOM 0 H GLY A 59 -0.310 14.678 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.360 16.937 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.064 16.086 -2.699 1.00 0.00 H new ATOM 876 N LYS A 60 0.656 14.164 -4.786 1.00 0.00 N ATOM 877 CA LYS A 60 1.147 13.606 -6.045 1.00 0.00 C ATOM 878 C LYS A 60 1.327 12.101 -5.874 1.00 0.00 C ATOM 879 O LYS A 60 0.909 11.545 -4.882 1.00 0.00 O ATOM 880 CB LYS A 60 2.495 14.223 -6.348 1.00 0.00 C ATOM 881 CG LYS A 60 3.523 13.738 -5.362 1.00 0.00 C ATOM 882 CD LYS A 60 4.685 14.710 -5.192 1.00 0.00 C ATOM 883 CE LYS A 60 4.238 16.069 -4.676 1.00 0.00 C ATOM 884 NZ LYS A 60 5.396 16.968 -4.429 1.00 0.00 N ATOM 0 H LYS A 60 0.545 13.476 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 60 0.444 13.812 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.802 13.964 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.423 15.310 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.045 13.578 -4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.908 12.773 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.412 14.284 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.191 14.837 -6.149 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.566 16.531 -5.400 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.673 15.941 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.055 17.886 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.024 16.538 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.921 17.110 -5.316 1.00 0.00 H new ATOM 898 N ILE A 61 2.013 11.454 -6.788 1.00 0.00 N ATOM 899 CA ILE A 61 2.298 10.061 -6.548 1.00 0.00 C ATOM 900 C ILE A 61 3.632 10.018 -5.814 1.00 0.00 C ATOM 901 O ILE A 61 4.721 9.975 -6.385 1.00 0.00 O ATOM 902 CB ILE A 61 2.255 9.232 -7.864 1.00 0.00 C ATOM 903 CG1 ILE A 61 2.028 7.745 -7.569 1.00 0.00 C ATOM 904 CG2 ILE A 61 3.500 9.416 -8.722 1.00 0.00 C ATOM 905 CD1 ILE A 61 1.745 6.930 -8.812 1.00 0.00 C ATOM 0 H ILE A 61 2.368 11.845 -7.661 1.00 0.00 H new ATOM 0 HA ILE A 61 1.537 9.587 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 61 1.412 9.615 -8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.909 7.341 -7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.193 7.641 -6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.411 8.813 -9.626 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.602 10.466 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.379 9.100 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.593 5.886 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.848 7.310 -9.300 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.590 7.005 -9.497 1.00 0.00 H new ATOM 917 N GLN A 62 3.532 10.109 -4.511 1.00 0.00 N ATOM 918 CA GLN A 62 4.686 10.549 -3.763 1.00 0.00 C ATOM 919 C GLN A 62 5.476 9.393 -3.221 1.00 0.00 C ATOM 920 O GLN A 62 6.686 9.320 -3.401 1.00 0.00 O ATOM 921 CB GLN A 62 4.293 11.462 -2.618 1.00 0.00 C ATOM 922 CG GLN A 62 3.027 12.254 -2.819 1.00 0.00 C ATOM 923 CD GLN A 62 3.081 13.592 -2.106 1.00 0.00 C ATOM 924 OE1 GLN A 62 1.924 14.126 -1.777 1.00 0.00 O flip ATOM 925 NE2 GLN A 62 4.156 14.147 -1.878 1.00 0.00 N flip ATOM 0 H GLN A 62 2.699 9.894 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 62 5.310 11.103 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.183 10.858 -1.717 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.111 12.159 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.865 12.416 -3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.177 11.680 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.030 13.697 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.173 15.057 -1.417 1.00 0.00 H new ATOM 934 N CYS A 63 4.802 8.506 -2.541 1.00 0.00 N ATOM 935 CA CYS A 63 5.514 7.382 -1.999 1.00 0.00 C ATOM 936 C CYS A 63 5.187 6.171 -2.836 1.00 0.00 C ATOM 937 O CYS A 63 4.196 6.164 -3.568 1.00 0.00 O ATOM 938 CB CYS A 63 5.174 7.171 -0.519 1.00 0.00 C ATOM 939 SG CYS A 63 3.485 6.587 -0.202 1.00 0.00 S ATOM 0 H CYS A 63 3.800 8.534 -2.354 1.00 0.00 H new ATOM 0 HA CYS A 63 6.588 7.564 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.877 6.452 -0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.324 8.111 0.011 1.00 0.00 H new ATOM 944 N GLN A 64 6.044 5.184 -2.789 1.00 0.00 N ATOM 945 CA GLN A 64 5.834 3.985 -3.549 1.00 0.00 C ATOM 946 C GLN A 64 6.055 2.822 -2.656 1.00 0.00 C ATOM 947 O GLN A 64 6.945 2.852 -1.809 1.00 0.00 O ATOM 948 CB GLN A 64 6.776 3.930 -4.723 1.00 0.00 C ATOM 949 CG GLN A 64 6.537 5.067 -5.658 1.00 0.00 C ATOM 950 CD GLN A 64 7.491 5.070 -6.837 1.00 0.00 C ATOM 951 OE1 GLN A 64 8.637 4.635 -6.727 1.00 0.00 O ATOM 952 NE2 GLN A 64 7.026 5.547 -7.979 1.00 0.00 N ATOM 0 H GLN A 64 6.897 5.190 -2.229 1.00 0.00 H new ATOM 0 HA GLN A 64 4.816 3.969 -3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.806 3.958 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.647 2.986 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.512 5.019 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.637 6.006 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.070 5.899 -8.033 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.623 5.563 -8.806 1.00 0.00 H new ATOM 961 N VAL A 65 5.275 1.795 -2.817 1.00 0.00 N ATOM 962 CA VAL A 65 5.366 0.810 -1.795 1.00 0.00 C ATOM 963 C VAL A 65 6.283 -0.344 -2.187 1.00 0.00 C ATOM 964 O VAL A 65 6.468 -0.626 -3.360 1.00 0.00 O ATOM 965 CB VAL A 65 3.975 0.317 -1.318 1.00 0.00 C ATOM 966 CG1 VAL A 65 3.953 -1.180 -1.036 1.00 0.00 C ATOM 967 CG2 VAL A 65 3.568 1.077 -0.075 1.00 0.00 C ATOM 0 H VAL A 65 4.621 1.626 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 65 5.827 1.300 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 65 3.267 0.504 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.957 -1.473 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.209 -1.725 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.678 -1.414 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.590 0.730 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.302 0.907 0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.517 2.142 -0.300 1.00 0.00 H new ATOM 977 N ASN A 66 6.897 -0.979 -1.205 1.00 0.00 N ATOM 978 CA ASN A 66 7.687 -2.164 -1.490 1.00 0.00 C ATOM 979 C ASN A 66 7.025 -3.398 -0.893 1.00 0.00 C ATOM 980 O ASN A 66 6.930 -3.526 0.326 1.00 0.00 O ATOM 981 CB ASN A 66 9.120 -2.022 -0.963 1.00 0.00 C ATOM 982 CG ASN A 66 9.911 -0.929 -1.664 1.00 0.00 C ATOM 983 OD1 ASN A 66 9.578 -0.653 -2.917 1.00 0.00 O flip ATOM 984 ND2 ASN A 66 10.820 -0.336 -1.082 1.00 0.00 N flip ATOM 0 H ASN A 66 6.866 -0.703 -0.224 1.00 0.00 H new ATOM 0 HA ASN A 66 7.738 -2.278 -2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 66 9.088 -1.810 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.640 -2.972 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 66 11.049 -0.575 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 66 11.344 0.394 -1.565 1.00 0.00 H new ATOM 991 N VAL A 67 6.559 -4.299 -1.757 1.00 0.00 N ATOM 992 CA VAL A 67 5.850 -5.490 -1.295 1.00 0.00 C ATOM 993 C VAL A 67 6.785 -6.684 -1.211 1.00 0.00 C ATOM 994 O VAL A 67 7.175 -7.245 -2.227 1.00 0.00 O ATOM 995 CB VAL A 67 4.637 -5.821 -2.192 1.00 0.00 C ATOM 996 CG1 VAL A 67 3.888 -7.037 -1.661 1.00 0.00 C ATOM 997 CG2 VAL A 67 3.700 -4.625 -2.289 1.00 0.00 C ATOM 0 H VAL A 67 6.658 -4.228 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 67 5.475 -5.270 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 67 5.008 -6.054 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.038 -7.252 -2.308 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.557 -7.897 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.533 -6.833 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.852 -4.878 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.342 -4.362 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.235 -3.778 -2.718 1.00 0.00 H new ATOM 1007 N PRO A 68 7.146 -7.084 0.022 1.00 0.00 N ATOM 1008 CA PRO A 68 8.071 -8.194 0.267 1.00 0.00 C ATOM 1009 C PRO A 68 7.540 -9.520 -0.259 1.00 0.00 C ATOM 1010 O PRO A 68 6.329 -9.716 -0.363 1.00 0.00 O ATOM 1011 CB PRO A 68 8.196 -8.236 1.791 1.00 0.00 C ATOM 1012 CG PRO A 68 6.991 -7.527 2.299 1.00 0.00 C ATOM 1013 CD PRO A 68 6.672 -6.481 1.276 1.00 0.00 C ATOM 0 HA PRO A 68 9.022 -8.045 -0.245 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.232 -9.263 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.111 -7.747 2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.156 -8.216 2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.184 -7.076 3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.604 -6.264 1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.181 -5.541 1.489 1.00 0.00 H new ATOM 1021 N GLU A 69 8.454 -10.439 -0.531 1.00 0.00 N ATOM 1022 CA GLU A 69 8.138 -11.687 -1.220 1.00 0.00 C ATOM 1023 C GLU A 69 7.463 -12.695 -0.282 1.00 0.00 C ATOM 1024 O GLU A 69 7.204 -13.837 -0.663 1.00 0.00 O ATOM 1025 CB GLU A 69 9.439 -12.281 -1.769 1.00 0.00 C ATOM 1026 CG GLU A 69 9.261 -13.219 -2.950 1.00 0.00 C ATOM 1027 CD GLU A 69 8.884 -12.491 -4.223 1.00 0.00 C ATOM 1028 OE1 GLU A 69 9.690 -11.661 -4.701 1.00 0.00 O ATOM 1029 OE2 GLU A 69 7.792 -12.759 -4.763 1.00 0.00 O ATOM 0 H GLU A 69 9.438 -10.343 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 69 7.440 -11.474 -2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.097 -11.465 -2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.943 -12.820 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.187 -13.771 -3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.490 -13.952 -2.713 1.00 0.00 H new ATOM 1036 N THR A 70 7.157 -12.269 0.937 1.00 0.00 N ATOM 1037 CA THR A 70 6.661 -13.197 1.942 1.00 0.00 C ATOM 1038 C THR A 70 5.384 -12.684 2.624 1.00 0.00 C ATOM 1039 O THR A 70 4.773 -13.392 3.427 1.00 0.00 O ATOM 1040 CB THR A 70 7.759 -13.455 3.005 1.00 0.00 C ATOM 1041 OG1 THR A 70 7.313 -14.402 3.987 1.00 0.00 O ATOM 1042 CG2 THR A 70 8.165 -12.156 3.687 1.00 0.00 C ATOM 0 H THR A 70 7.242 -11.302 1.250 1.00 0.00 H new ATOM 0 HA THR A 70 6.409 -14.128 1.434 1.00 0.00 H new ATOM 0 HB THR A 70 8.626 -13.870 2.491 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.334 -14.453 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.937 -12.360 4.429 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.553 -11.460 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.297 -11.716 4.178 1.00 0.00 H new ATOM 1050 N ALA A 71 4.961 -11.473 2.287 1.00 0.00 N ATOM 1051 CA ALA A 71 3.855 -10.862 3.019 1.00 0.00 C ATOM 1052 C ALA A 71 2.510 -11.089 2.346 1.00 0.00 C ATOM 1053 O ALA A 71 2.424 -11.250 1.132 1.00 0.00 O ATOM 1054 CB ALA A 71 4.111 -9.378 3.213 1.00 0.00 C ATOM 0 H ALA A 71 5.352 -10.906 1.534 1.00 0.00 H new ATOM 0 HA ALA A 71 3.805 -11.351 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.279 -8.934 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.033 -9.239 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.205 -8.895 2.240 1.00 0.00 H new ATOM 1060 N ILE A 72 1.467 -11.087 3.163 1.00 0.00 N ATOM 1061 CA ILE A 72 0.115 -11.331 2.708 1.00 0.00 C ATOM 1062 C ILE A 72 -0.864 -10.737 3.727 1.00 0.00 C ATOM 1063 O ILE A 72 -0.469 -10.456 4.858 1.00 0.00 O ATOM 1064 CB ILE A 72 -0.115 -12.849 2.531 1.00 0.00 C ATOM 1065 CG1 ILE A 72 -1.377 -13.127 1.708 1.00 0.00 C ATOM 1066 CG2 ILE A 72 -0.192 -13.547 3.881 1.00 0.00 C ATOM 1067 CD1 ILE A 72 -1.315 -12.586 0.295 1.00 0.00 C ATOM 0 H ILE A 72 1.540 -10.914 4.166 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.049 -10.855 1.741 1.00 0.00 H new ATOM 0 HB ILE A 72 0.738 -13.251 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.544 -14.203 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.236 -12.690 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.354 -14.614 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.741 -13.395 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.018 -13.132 4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.243 -12.821 -0.226 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.180 -11.505 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.477 -13.042 -0.233 1.00 0.00 H new ATOM 1079 N SER A 73 -2.122 -10.519 3.351 1.00 0.00 N ATOM 1080 CA SER A 73 -3.024 -9.819 4.258 1.00 0.00 C ATOM 1081 C SER A 73 -4.230 -10.665 4.695 1.00 0.00 C ATOM 1082 O SER A 73 -4.067 -11.576 5.505 1.00 0.00 O ATOM 1083 CB SER A 73 -3.481 -8.507 3.634 1.00 0.00 C ATOM 1084 OG SER A 73 -2.371 -7.730 3.231 1.00 0.00 O ATOM 0 H SER A 73 -2.528 -10.805 2.460 1.00 0.00 H new ATOM 0 HA SER A 73 -2.457 -9.613 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.119 -8.711 2.774 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.081 -7.947 4.351 1.00 0.00 H new ATOM 0 HG SER A 73 -2.684 -6.872 2.875 1.00 0.00 H new ATOM 1090 N ASP A 74 -5.426 -10.365 4.138 1.00 0.00 N ATOM 1091 CA ASP A 74 -6.707 -10.869 4.677 1.00 0.00 C ATOM 1092 C ASP A 74 -7.018 -10.145 5.984 1.00 0.00 C ATOM 1093 O ASP A 74 -7.980 -10.446 6.689 1.00 0.00 O ATOM 1094 CB ASP A 74 -6.676 -12.387 4.897 1.00 0.00 C ATOM 1095 CG ASP A 74 -8.006 -12.970 5.333 1.00 0.00 C ATOM 1096 OD1 ASP A 74 -8.903 -13.118 4.478 1.00 0.00 O ATOM 1097 OD2 ASP A 74 -8.154 -13.298 6.528 1.00 0.00 O ATOM 0 H ASP A 74 -5.529 -9.774 3.313 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.492 -10.669 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.363 -12.872 3.973 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.923 -12.620 5.650 1.00 0.00 H new ATOM 1102 N GLN A 75 -6.204 -9.140 6.254 1.00 0.00 N ATOM 1103 CA GLN A 75 -6.234 -8.406 7.502 1.00 0.00 C ATOM 1104 C GLN A 75 -5.348 -7.179 7.368 1.00 0.00 C ATOM 1105 O GLN A 75 -5.291 -6.565 6.287 1.00 0.00 O ATOM 1106 CB GLN A 75 -5.765 -9.319 8.646 1.00 0.00 C ATOM 1107 CG GLN A 75 -4.451 -10.039 8.362 1.00 0.00 C ATOM 1108 CD GLN A 75 -4.095 -11.081 9.409 1.00 0.00 C ATOM 1109 OE1 GLN A 75 -5.097 -11.722 9.992 1.00 0.00 O flip ATOM 1110 NE2 GLN A 75 -2.919 -11.327 9.675 1.00 0.00 N flip ATOM 0 H GLN A 75 -5.494 -8.808 5.601 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.248 -8.079 7.731 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.653 -8.722 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.538 -10.060 8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.513 -10.521 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.648 -9.304 8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.172 -10.814 9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.691 -12.044 10.364 1.00 0.00 H new ATOM 1119 N GLN A 76 -4.718 -6.801 8.471 1.00 0.00 N ATOM 1120 CA GLN A 76 -3.696 -5.760 8.465 1.00 0.00 C ATOM 1121 C GLN A 76 -2.370 -6.312 7.963 1.00 0.00 C ATOM 1122 O GLN A 76 -1.962 -7.412 8.339 1.00 0.00 O ATOM 1123 CB GLN A 76 -3.468 -5.179 9.865 1.00 0.00 C ATOM 1124 CG GLN A 76 -4.554 -4.237 10.346 1.00 0.00 C ATOM 1125 CD GLN A 76 -4.186 -3.542 11.640 1.00 0.00 C ATOM 1126 OE1 GLN A 76 -3.412 -4.213 12.475 1.00 0.00 O flip ATOM 1127 NE2 GLN A 76 -4.597 -2.409 11.888 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.898 -7.203 9.391 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.057 -4.973 7.802 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.379 -6.002 10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.516 -4.648 9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.748 -3.489 9.578 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.479 -4.796 10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.193 -1.924 11.217 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.342 -1.954 12.765 1.00 0.00 H new ATOM 1136 N LEU A 77 -1.710 -5.544 7.117 1.00 0.00 N ATOM 1137 CA LEU A 77 -0.349 -5.833 6.729 1.00 0.00 C ATOM 1138 C LEU A 77 0.417 -4.543 6.920 1.00 0.00 C ATOM 1139 O LEU A 77 -0.168 -3.567 7.376 1.00 0.00 O ATOM 1140 CB LEU A 77 -0.289 -6.320 5.275 1.00 0.00 C ATOM 1141 CG LEU A 77 1.079 -6.811 4.793 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.557 -7.980 5.640 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.011 -7.204 3.325 1.00 0.00 C ATOM 0 H LEU A 77 -2.102 -4.708 6.684 1.00 0.00 H new ATOM 0 HA LEU A 77 0.083 -6.633 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.008 -7.130 5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.612 -5.506 4.625 1.00 0.00 H new ATOM 0 HG LEU A 77 1.797 -5.998 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.531 -8.315 5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.642 -7.665 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.842 -8.799 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.990 -7.551 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.281 -8.003 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.713 -6.340 2.731 1.00 0.00 H new ATOM 1155 N LEU A 78 1.693 -4.504 6.623 1.00 0.00 N ATOM 1156 CA LEU A 78 2.365 -3.229 6.713 1.00 0.00 C ATOM 1157 C LEU A 78 3.357 -3.059 5.565 1.00 0.00 C ATOM 1158 O LEU A 78 4.036 -4.012 5.179 1.00 0.00 O ATOM 1159 CB LEU A 78 3.038 -3.059 8.085 1.00 0.00 C ATOM 1160 CG LEU A 78 3.930 -4.216 8.546 1.00 0.00 C ATOM 1161 CD1 LEU A 78 5.357 -4.043 8.049 1.00 0.00 C ATOM 1162 CD2 LEU A 78 3.908 -4.330 10.061 1.00 0.00 C ATOM 0 H LEU A 78 2.265 -5.296 6.331 1.00 0.00 H new ATOM 0 HA LEU A 78 1.621 -2.438 6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.639 -2.150 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.259 -2.907 8.833 1.00 0.00 H new ATOM 0 HG LEU A 78 3.534 -5.137 8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.966 -4.879 8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.362 -4.014 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.768 -3.112 8.439 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.546 -5.157 10.373 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.274 -3.402 10.501 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.887 -4.513 10.397 1.00 0.00 H new ATOM 1174 N LEU A 79 3.417 -1.860 5.001 1.00 0.00 N ATOM 1175 CA LEU A 79 4.255 -1.621 3.829 1.00 0.00 C ATOM 1176 C LEU A 79 5.094 -0.343 3.952 1.00 0.00 C ATOM 1177 O LEU A 79 4.647 0.678 4.500 1.00 0.00 O ATOM 1178 CB LEU A 79 3.402 -1.545 2.551 1.00 0.00 C ATOM 1179 CG LEU A 79 2.989 -2.884 1.919 1.00 0.00 C ATOM 1180 CD1 LEU A 79 4.178 -3.825 1.818 1.00 0.00 C ATOM 1181 CD2 LEU A 79 1.850 -3.534 2.686 1.00 0.00 C ATOM 0 H LEU A 79 2.902 -1.044 5.330 1.00 0.00 H new ATOM 0 HA LEU A 79 4.939 -2.467 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.497 -0.982 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.955 -0.973 1.806 1.00 0.00 H new ATOM 0 HG LEU A 79 2.631 -2.675 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.860 -4.765 1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.951 -3.369 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.576 -4.016 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.584 -4.478 2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.163 -3.720 3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.985 -2.871 2.684 1.00 0.00 H new ATOM 1193 N PRO A 80 6.339 -0.398 3.451 1.00 0.00 N ATOM 1194 CA PRO A 80 7.193 0.777 3.321 1.00 0.00 C ATOM 1195 C PRO A 80 6.877 1.564 2.050 1.00 0.00 C ATOM 1196 O PRO A 80 6.928 1.027 0.938 1.00 0.00 O ATOM 1197 CB PRO A 80 8.598 0.183 3.254 1.00 0.00 C ATOM 1198 CG PRO A 80 8.419 -1.171 2.653 1.00 0.00 C ATOM 1199 CD PRO A 80 7.020 -1.624 2.993 1.00 0.00 C ATOM 0 HA PRO A 80 7.060 1.484 4.140 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.258 0.800 2.645 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.046 0.118 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.561 -1.135 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.157 -1.869 3.048 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.520 -2.056 2.126 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.028 -2.388 3.770 1.00 0.00 H new ATOM 1207 N CYS A 81 6.532 2.827 2.228 1.00 0.00 N ATOM 1208 CA CYS A 81 6.202 3.705 1.118 1.00 0.00 C ATOM 1209 C CYS A 81 7.351 4.694 0.907 1.00 0.00 C ATOM 1210 O CYS A 81 7.362 5.782 1.482 1.00 0.00 O ATOM 1211 CB CYS A 81 4.909 4.462 1.436 1.00 0.00 C ATOM 1212 SG CYS A 81 3.747 4.591 0.042 1.00 0.00 S ATOM 0 H CYS A 81 6.473 3.273 3.144 1.00 0.00 H new ATOM 0 HA CYS A 81 6.056 3.121 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.407 3.965 2.266 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.165 5.466 1.773 1.00 0.00 H new ATOM 1217 N THR A 82 8.331 4.293 0.109 1.00 0.00 N ATOM 1218 CA THR A 82 9.525 5.103 -0.097 1.00 0.00 C ATOM 1219 C THR A 82 9.196 6.374 -0.883 1.00 0.00 C ATOM 1220 O THR A 82 8.332 6.359 -1.757 1.00 0.00 O ATOM 1221 CB THR A 82 10.628 4.293 -0.827 1.00 0.00 C ATOM 1222 OG1 THR A 82 11.814 5.083 -0.996 1.00 0.00 O ATOM 1223 CG2 THR A 82 10.149 3.802 -2.186 1.00 0.00 C ATOM 0 H THR A 82 8.323 3.413 -0.406 1.00 0.00 H new ATOM 0 HA THR A 82 9.901 5.391 0.885 1.00 0.00 H new ATOM 0 HB THR A 82 10.858 3.428 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.497 4.553 -1.457 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.946 3.238 -2.671 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.278 3.160 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.879 4.656 -2.807 1.00 0.00 H new ATOM 1231 N PRO A 83 9.860 7.498 -0.558 1.00 0.00 N ATOM 1232 CA PRO A 83 9.674 8.766 -1.276 1.00 0.00 C ATOM 1233 C PRO A 83 10.036 8.643 -2.754 1.00 0.00 C ATOM 1234 O PRO A 83 10.862 7.808 -3.132 1.00 0.00 O ATOM 1235 CB PRO A 83 10.630 9.735 -0.569 1.00 0.00 C ATOM 1236 CG PRO A 83 11.593 8.871 0.169 1.00 0.00 C ATOM 1237 CD PRO A 83 10.833 7.630 0.540 1.00 0.00 C ATOM 0 HA PRO A 83 8.635 9.094 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.145 10.373 -1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.090 10.393 0.112 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.456 8.630 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.971 9.378 1.057 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.487 6.761 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.340 7.732 1.507 1.00 0.00 H new ATOM 1245 N GLN A 84 9.408 9.472 -3.583 1.00 0.00 N ATOM 1246 CA GLN A 84 9.638 9.407 -5.022 1.00 0.00 C ATOM 1247 C GLN A 84 11.058 9.827 -5.381 1.00 0.00 C ATOM 1248 O GLN A 84 11.675 9.235 -6.264 1.00 0.00 O ATOM 1249 CB GLN A 84 8.617 10.267 -5.787 1.00 0.00 C ATOM 1250 CG GLN A 84 8.633 11.746 -5.415 1.00 0.00 C ATOM 1251 CD GLN A 84 7.731 12.592 -6.299 1.00 0.00 C ATOM 1252 OE1 GLN A 84 8.013 13.765 -6.549 1.00 0.00 O ATOM 1253 NE2 GLN A 84 6.633 12.016 -6.763 1.00 0.00 N ATOM 0 H GLN A 84 8.744 10.188 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 84 9.507 8.367 -5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.809 10.172 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.618 9.870 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.322 11.857 -4.376 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.654 12.121 -5.483 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.433 11.042 -6.535 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.988 12.546 -7.349 1.00 0.00 H new