USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 386 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0203 K(o=-0.02,f=-1.2) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= -0.183 (180deg=-2.42!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=-0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.0141 K(o=-0.014,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= -0.009 X(o=-0.009,f=-0.009) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.371 -8.391 -1.675 1.00 0.00 N ATOM 89 CA ALA A 9 -0.277 -7.066 -2.276 1.00 0.00 C ATOM 90 C ALA A 9 -1.007 -6.027 -1.431 1.00 0.00 C ATOM 91 O ALA A 9 -1.744 -6.371 -0.508 1.00 0.00 O ATOM 92 CB ALA A 9 -0.838 -7.087 -3.690 1.00 0.00 C ATOM 0 HA ALA A 9 0.776 -6.787 -2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.761 -6.091 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.271 -7.794 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.884 -7.391 -3.662 1.00 0.00 H new ATOM 98 N ALA A 10 -0.795 -4.755 -1.753 1.00 0.00 N ATOM 99 CA ALA A 10 -1.434 -3.666 -1.024 1.00 0.00 C ATOM 100 C ALA A 10 -1.810 -2.524 -1.962 1.00 0.00 C ATOM 101 O ALA A 10 -1.042 -2.162 -2.853 1.00 0.00 O ATOM 102 CB ALA A 10 -0.519 -3.164 0.083 1.00 0.00 C ATOM 0 H ALA A 10 -0.186 -4.453 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.351 -4.050 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.009 -2.351 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.305 -3.978 0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.413 -2.803 -0.351 1.00 0.00 H new ATOM 108 N ARG A 11 -2.995 -1.960 -1.755 1.00 0.00 N ATOM 109 CA ARG A 11 -3.473 -0.860 -2.583 1.00 0.00 C ATOM 110 C ARG A 11 -3.181 0.484 -1.923 1.00 0.00 C ATOM 111 O ARG A 11 -3.079 0.578 -0.699 1.00 0.00 O ATOM 112 CB ARG A 11 -4.975 -1.000 -2.837 1.00 0.00 C ATOM 113 CG ARG A 11 -5.570 0.157 -3.623 1.00 0.00 C ATOM 114 CD ARG A 11 -7.090 0.140 -3.575 1.00 0.00 C ATOM 115 NE ARG A 11 -7.643 -1.084 -4.148 1.00 0.00 N ATOM 116 CZ ARG A 11 -8.886 -1.185 -4.606 1.00 0.00 C ATOM 117 NH1 ARG A 11 -9.701 -0.141 -4.557 1.00 0.00 N ATOM 118 NH2 ARG A 11 -9.315 -2.334 -5.113 1.00 0.00 N ATOM 0 H ARG A 11 -3.642 -2.247 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.945 -0.900 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.158 -1.928 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.491 -1.082 -1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.203 1.100 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.237 0.104 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.421 0.238 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.479 1.002 -4.117 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.042 -1.907 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.374 0.743 -4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.655 -0.222 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.690 -3.140 -5.151 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.269 -2.412 -5.465 1.00 0.00 H new ATOM 132 N LEU A 12 -3.047 1.522 -2.741 1.00 0.00 N ATOM 133 CA LEU A 12 -2.766 2.862 -2.237 1.00 0.00 C ATOM 134 C LEU A 12 -4.049 3.557 -1.792 1.00 0.00 C ATOM 135 O LEU A 12 -4.856 3.983 -2.617 1.00 0.00 O ATOM 136 CB LEU A 12 -2.068 3.697 -3.313 1.00 0.00 C ATOM 137 CG LEU A 12 -0.541 3.633 -3.326 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.027 4.146 -2.012 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.069 2.211 -3.594 1.00 0.00 C ATOM 0 H LEU A 12 -3.128 1.462 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.107 2.768 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.434 3.375 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.367 4.738 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.177 4.273 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.115 4.093 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.282 5.180 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.345 3.533 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.021 2.184 -3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.444 1.550 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.445 1.879 -4.562 1.00 0.00 H new ATOM 151 N LYS A 13 -4.230 3.669 -0.480 1.00 0.00 N ATOM 152 CA LYS A 13 -5.412 4.314 0.077 1.00 0.00 C ATOM 153 C LYS A 13 -5.680 5.648 -0.612 1.00 0.00 C ATOM 154 O LYS A 13 -6.819 6.110 -0.673 1.00 0.00 O ATOM 155 CB LYS A 13 -5.238 4.532 1.582 1.00 0.00 C ATOM 156 CG LYS A 13 -5.304 3.250 2.394 1.00 0.00 C ATOM 157 CD LYS A 13 -5.477 3.536 3.876 1.00 0.00 C ATOM 158 CE LYS A 13 -6.898 3.971 4.197 1.00 0.00 C ATOM 159 NZ LYS A 13 -7.814 2.806 4.349 1.00 0.00 N ATOM 0 H LYS A 13 -3.572 3.321 0.217 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.266 3.659 -0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.279 5.017 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.011 5.215 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.134 2.638 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.393 2.672 2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.230 2.644 4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.779 4.316 4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.900 4.557 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.267 4.622 3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.773 3.144 4.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.832 2.261 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.477 2.198 5.123 1.00 0.00 H new ATOM 173 N PHE A 14 -4.622 6.263 -1.132 1.00 0.00 N ATOM 174 CA PHE A 14 -4.744 7.544 -1.819 1.00 0.00 C ATOM 175 C PHE A 14 -3.530 7.802 -2.707 1.00 0.00 C ATOM 176 O PHE A 14 -2.574 7.026 -2.711 1.00 0.00 O ATOM 177 CB PHE A 14 -4.897 8.678 -0.803 1.00 0.00 C ATOM 178 CG PHE A 14 -6.083 8.514 0.104 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.362 8.791 -0.350 1.00 0.00 C ATOM 180 CD2 PHE A 14 -5.918 8.083 1.411 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.455 8.642 0.483 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.007 7.932 2.248 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.277 8.211 1.783 1.00 0.00 C ATOM 0 H PHE A 14 -3.672 5.895 -1.091 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.632 7.508 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.992 8.737 -0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.986 9.624 -1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.507 9.127 -1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.927 7.863 1.779 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.447 8.862 0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.865 7.596 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.130 8.092 2.435 1.00 0.00 H new ATOM 193 N ASP A 15 -3.577 8.897 -3.458 1.00 0.00 N ATOM 194 CA ASP A 15 -2.482 9.259 -4.351 1.00 0.00 C ATOM 195 C ASP A 15 -1.267 9.729 -3.557 1.00 0.00 C ATOM 196 O ASP A 15 -1.373 10.609 -2.703 1.00 0.00 O ATOM 197 CB ASP A 15 -2.928 10.353 -5.322 1.00 0.00 C ATOM 198 CG ASP A 15 -3.281 11.646 -4.614 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.633 11.590 -3.417 1.00 0.00 O ATOM 200 OD2 ASP A 15 -3.207 12.715 -5.257 1.00 0.00 O ATOM 0 H ASP A 15 -4.361 9.549 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.201 8.373 -4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.132 10.542 -6.042 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.792 10.003 -5.887 1.00 0.00 H new ATOM 205 N PHE A 16 -0.113 9.137 -3.845 1.00 0.00 N ATOM 206 CA PHE A 16 1.122 9.494 -3.157 1.00 0.00 C ATOM 207 C PHE A 16 2.066 10.249 -4.090 1.00 0.00 C ATOM 208 O PHE A 16 1.909 10.211 -5.310 1.00 0.00 O ATOM 209 CB PHE A 16 1.814 8.238 -2.621 1.00 0.00 C ATOM 210 CG PHE A 16 3.147 8.513 -1.987 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.243 9.324 -0.868 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.305 7.959 -2.510 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.469 9.579 -0.283 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.534 8.210 -1.928 1.00 0.00 C ATOM 215 CZ PHE A 16 5.615 9.020 -0.813 1.00 0.00 C ATOM 0 H PHE A 16 -0.007 8.408 -4.550 1.00 0.00 H new ATOM 0 HA PHE A 16 0.867 10.145 -2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.164 7.759 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.949 7.530 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.350 9.762 -0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.247 7.324 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.531 10.215 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.429 7.773 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.574 9.216 -0.356 1.00 0.00 H new ATOM 225 N GLN A 17 3.043 10.933 -3.505 1.00 0.00 N ATOM 226 CA GLN A 17 4.011 11.698 -4.283 1.00 0.00 C ATOM 227 C GLN A 17 5.405 11.594 -3.672 1.00 0.00 C ATOM 228 O GLN A 17 5.673 12.163 -2.614 1.00 0.00 O ATOM 229 CB GLN A 17 3.585 13.165 -4.365 1.00 0.00 C ATOM 230 CG GLN A 17 4.183 13.906 -5.551 1.00 0.00 C ATOM 231 CD GLN A 17 4.343 15.390 -5.290 1.00 0.00 C ATOM 232 OE1 GLN A 17 3.361 16.110 -5.105 1.00 0.00 O ATOM 233 NE2 GLN A 17 5.586 15.858 -5.274 1.00 0.00 N ATOM 0 H GLN A 17 3.186 10.974 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 17 4.043 11.279 -5.289 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.498 13.216 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.877 13.672 -3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.156 13.476 -5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.547 13.761 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.371 15.226 -5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.756 16.849 -5.104 1.00 0.00 H new ATOM 242 N ALA A 18 6.287 10.863 -4.345 1.00 0.00 N ATOM 243 CA ALA A 18 7.654 10.686 -3.870 1.00 0.00 C ATOM 244 C ALA A 18 8.382 12.023 -3.782 1.00 0.00 C ATOM 245 O ALA A 18 8.531 12.725 -4.782 1.00 0.00 O ATOM 246 CB ALA A 18 8.410 9.730 -4.780 1.00 0.00 C ATOM 0 H ALA A 18 6.080 10.384 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 18 7.611 10.259 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.429 9.608 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.908 8.762 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.435 10.134 -5.792 1.00 0.00 H new ATOM 252 N GLN A 19 8.832 12.369 -2.580 1.00 0.00 N ATOM 253 CA GLN A 19 9.543 13.623 -2.363 1.00 0.00 C ATOM 254 C GLN A 19 10.992 13.515 -2.828 1.00 0.00 C ATOM 255 O GLN A 19 11.546 14.459 -3.391 1.00 0.00 O ATOM 256 CB GLN A 19 9.497 14.011 -0.884 1.00 0.00 C ATOM 257 CG GLN A 19 10.240 15.299 -0.570 1.00 0.00 C ATOM 258 CD GLN A 19 9.828 15.901 0.760 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.034 15.318 1.498 1.00 0.00 O ATOM 260 NE2 GLN A 19 10.368 17.073 1.072 1.00 0.00 N ATOM 0 H GLN A 19 8.717 11.799 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 19 9.049 14.397 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.457 14.117 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.923 13.202 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.312 15.102 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.057 16.023 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.022 17.520 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.129 17.526 1.954 1.00 0.00 H new ATOM 269 N SER A 20 11.600 12.357 -2.588 1.00 0.00 N ATOM 270 CA SER A 20 12.986 12.127 -2.978 1.00 0.00 C ATOM 271 C SER A 20 13.061 11.251 -4.225 1.00 0.00 C ATOM 272 O SER A 20 12.124 10.530 -4.565 1.00 0.00 O ATOM 273 CB SER A 20 13.758 11.469 -1.832 1.00 0.00 C ATOM 274 OG SER A 20 14.280 12.443 -0.944 1.00 0.00 O ATOM 0 H SER A 20 11.155 11.564 -2.126 1.00 0.00 H new ATOM 0 HA SER A 20 13.439 13.092 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.100 10.791 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.572 10.867 -2.236 1.00 0.00 H new ATOM 0 HG SER A 20 14.767 11.998 -0.220 1.00 0.00 H new ATOM 280 N PRO A 21 14.204 11.316 -4.924 1.00 0.00 N ATOM 281 CA PRO A 21 14.431 10.536 -6.144 1.00 0.00 C ATOM 282 C PRO A 21 14.574 9.044 -5.861 1.00 0.00 C ATOM 283 O PRO A 21 14.770 8.244 -6.775 1.00 0.00 O ATOM 284 CB PRO A 21 15.743 11.104 -6.690 1.00 0.00 C ATOM 285 CG PRO A 21 16.443 11.655 -5.496 1.00 0.00 C ATOM 286 CD PRO A 21 15.364 12.155 -4.577 1.00 0.00 C ATOM 0 HA PRO A 21 13.595 10.615 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.338 10.330 -7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.560 11.879 -7.434 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.046 10.889 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.120 12.461 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.643 12.041 -3.530 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.157 13.213 -4.738 1.00 0.00 H new ATOM 294 N LYS A 22 14.473 8.677 -4.588 1.00 0.00 N ATOM 295 CA LYS A 22 14.590 7.281 -4.183 1.00 0.00 C ATOM 296 C LYS A 22 13.219 6.690 -3.866 1.00 0.00 C ATOM 297 O LYS A 22 13.043 5.473 -3.867 1.00 0.00 O ATOM 298 CB LYS A 22 15.505 7.157 -2.963 1.00 0.00 C ATOM 299 CG LYS A 22 15.238 5.918 -2.126 1.00 0.00 C ATOM 300 CD LYS A 22 16.468 5.503 -1.336 1.00 0.00 C ATOM 301 CE LYS A 22 16.683 6.399 -0.126 1.00 0.00 C ATOM 302 NZ LYS A 22 15.983 5.879 1.081 1.00 0.00 N ATOM 0 H LYS A 22 14.310 9.327 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 22 15.024 6.723 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.542 7.143 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.384 8.041 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.413 6.112 -1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.928 5.099 -2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.360 4.469 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.346 5.543 -1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.750 6.481 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 22 16.324 7.403 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.609 5.961 1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.117 6.432 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.733 4.880 0.934 1.00 0.00 H new ATOM 316 N GLU A 23 12.252 7.562 -3.596 1.00 0.00 N ATOM 317 CA GLU A 23 10.898 7.125 -3.278 1.00 0.00 C ATOM 318 C GLU A 23 10.163 6.672 -4.536 1.00 0.00 C ATOM 319 O GLU A 23 10.694 6.757 -5.644 1.00 0.00 O ATOM 320 CB GLU A 23 10.120 8.254 -2.599 1.00 0.00 C ATOM 321 CG GLU A 23 10.316 8.308 -1.093 1.00 0.00 C ATOM 322 CD GLU A 23 9.984 9.668 -0.511 1.00 0.00 C ATOM 323 OE1 GLU A 23 8.821 10.102 -0.643 1.00 0.00 O ATOM 324 OE2 GLU A 23 10.888 10.299 0.077 1.00 0.00 O ATOM 0 H GLU A 23 12.381 8.574 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 23 10.968 6.279 -2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.427 9.206 -3.031 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.058 8.133 -2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.689 7.552 -0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.350 8.058 -0.856 1.00 0.00 H new ATOM 331 N LEU A 24 8.938 6.189 -4.357 1.00 0.00 N ATOM 332 CA LEU A 24 8.129 5.721 -5.477 1.00 0.00 C ATOM 333 C LEU A 24 6.853 6.546 -5.609 1.00 0.00 C ATOM 334 O LEU A 24 6.233 6.916 -4.611 1.00 0.00 O ATOM 335 CB LEU A 24 7.779 4.243 -5.296 1.00 0.00 C ATOM 336 CG LEU A 24 8.796 3.240 -5.842 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.470 1.835 -5.362 1.00 0.00 C ATOM 338 CD2 LEU A 24 8.833 3.292 -7.363 1.00 0.00 C ATOM 0 H LEU A 24 8.484 6.111 -3.447 1.00 0.00 H new ATOM 0 HA LEU A 24 8.712 5.840 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.644 4.050 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.819 4.056 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 24 9.783 3.510 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.204 1.135 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.496 1.807 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.475 1.554 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.562 2.572 -7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.847 3.048 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.116 4.294 -7.686 1.00 0.00 H new ATOM 350 N THR A 25 6.462 6.829 -6.848 1.00 0.00 N ATOM 351 CA THR A 25 5.259 7.608 -7.110 1.00 0.00 C ATOM 352 C THR A 25 4.093 6.706 -7.499 1.00 0.00 C ATOM 353 O THR A 25 4.144 6.011 -8.515 1.00 0.00 O ATOM 354 CB THR A 25 5.491 8.639 -8.231 1.00 0.00 C ATOM 355 OG1 THR A 25 6.666 9.409 -7.953 1.00 0.00 O ATOM 356 CG2 THR A 25 4.293 9.566 -8.371 1.00 0.00 C ATOM 0 H THR A 25 6.962 6.530 -7.686 1.00 0.00 H new ATOM 0 HA THR A 25 5.016 8.134 -6.187 1.00 0.00 H new ATOM 0 HB THR A 25 5.624 8.099 -9.169 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.807 10.061 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.481 10.285 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.406 8.980 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.133 10.098 -7.433 1.00 0.00 H new ATOM 364 N LEU A 26 3.043 6.721 -6.686 1.00 0.00 N ATOM 365 CA LEU A 26 1.862 5.904 -6.945 1.00 0.00 C ATOM 366 C LEU A 26 0.596 6.754 -6.923 1.00 0.00 C ATOM 367 O LEU A 26 0.523 7.755 -6.210 1.00 0.00 O ATOM 368 CB LEU A 26 1.756 4.783 -5.910 1.00 0.00 C ATOM 369 CG LEU A 26 3.024 3.959 -5.681 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.026 3.360 -4.283 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.145 2.865 -6.732 1.00 0.00 C ATOM 0 H LEU A 26 2.985 7.290 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 26 1.965 5.465 -7.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.455 5.221 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.958 4.107 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 26 3.886 4.620 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.936 2.777 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.986 4.160 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.157 2.713 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.053 2.288 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.279 2.206 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.190 3.316 -7.723 1.00 0.00 H new ATOM 383 N GLN A 27 -0.398 6.347 -7.705 1.00 0.00 N ATOM 384 CA GLN A 27 -1.662 7.071 -7.773 1.00 0.00 C ATOM 385 C GLN A 27 -2.736 6.369 -6.949 1.00 0.00 C ATOM 386 O GLN A 27 -2.667 5.161 -6.719 1.00 0.00 O ATOM 387 CB GLN A 27 -2.121 7.203 -9.226 1.00 0.00 C ATOM 388 CG GLN A 27 -3.571 7.634 -9.369 1.00 0.00 C ATOM 389 CD GLN A 27 -3.869 8.239 -10.727 1.00 0.00 C ATOM 390 OE1 GLN A 27 -4.357 7.558 -11.629 1.00 0.00 O ATOM 391 NE2 GLN A 27 -3.577 9.525 -10.880 1.00 0.00 N ATOM 0 H GLN A 27 -0.353 5.520 -8.300 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.505 8.067 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.484 7.926 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.984 6.246 -9.730 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.220 6.773 -9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.808 8.360 -8.592 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.173 10.052 -10.106 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.756 9.986 -11.772 1.00 0.00 H new ATOM 400 N LYS A 28 -3.730 7.132 -6.507 1.00 0.00 N ATOM 401 CA LYS A 28 -4.820 6.584 -5.710 1.00 0.00 C ATOM 402 C LYS A 28 -5.456 5.386 -6.407 1.00 0.00 C ATOM 403 O LYS A 28 -6.107 5.531 -7.441 1.00 0.00 O ATOM 404 CB LYS A 28 -5.880 7.658 -5.451 1.00 0.00 C ATOM 405 CG LYS A 28 -7.009 7.193 -4.548 1.00 0.00 C ATOM 406 CD LYS A 28 -8.146 6.579 -5.347 1.00 0.00 C ATOM 407 CE LYS A 28 -9.228 6.020 -4.437 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.462 5.668 -5.193 1.00 0.00 N ATOM 0 H LYS A 28 -3.803 8.133 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.408 6.251 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.401 8.528 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.298 7.981 -6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.628 6.462 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.384 8.037 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.577 7.332 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.757 5.784 -5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.851 5.135 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.470 6.753 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.175 5.291 -4.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.837 6.518 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.237 4.949 -5.910 1.00 0.00 H new ATOM 422 N GLY A 29 -5.263 4.202 -5.834 1.00 0.00 N ATOM 423 CA GLY A 29 -5.825 2.996 -6.414 1.00 0.00 C ATOM 424 C GLY A 29 -4.791 2.176 -7.159 1.00 0.00 C ATOM 425 O GLY A 29 -5.074 1.629 -8.225 1.00 0.00 O ATOM 0 H GLY A 29 -4.727 4.056 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.266 2.388 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.631 3.266 -7.096 1.00 0.00 H new ATOM 429 N ASP A 30 -3.589 2.090 -6.599 1.00 0.00 N ATOM 430 CA ASP A 30 -2.509 1.331 -7.217 1.00 0.00 C ATOM 431 C ASP A 30 -2.038 0.208 -6.298 1.00 0.00 C ATOM 432 O ASP A 30 -1.647 0.451 -5.156 1.00 0.00 O ATOM 433 CB ASP A 30 -1.338 2.254 -7.557 1.00 0.00 C ATOM 434 CG ASP A 30 -0.460 1.694 -8.660 1.00 0.00 C ATOM 435 OD1 ASP A 30 -0.989 1.420 -9.757 1.00 0.00 O ATOM 436 OD2 ASP A 30 0.755 1.528 -8.424 1.00 0.00 O ATOM 0 H ASP A 30 -3.338 2.537 -5.717 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.890 0.887 -8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.723 3.227 -7.862 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.735 2.415 -6.663 1.00 0.00 H new ATOM 441 N ILE A 31 -2.080 -1.020 -6.804 1.00 0.00 N ATOM 442 CA ILE A 31 -1.657 -2.180 -6.028 1.00 0.00 C ATOM 443 C ILE A 31 -0.220 -2.568 -6.358 1.00 0.00 C ATOM 444 O ILE A 31 0.099 -2.898 -7.500 1.00 0.00 O ATOM 445 CB ILE A 31 -2.575 -3.390 -6.280 1.00 0.00 C ATOM 446 CG1 ILE A 31 -4.000 -3.085 -5.813 1.00 0.00 C ATOM 447 CG2 ILE A 31 -2.033 -4.623 -5.572 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.766 -2.186 -6.759 1.00 0.00 C ATOM 0 H ILE A 31 -2.402 -1.238 -7.747 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.722 -1.898 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.599 -3.591 -7.351 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.544 -4.022 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.959 -2.615 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.693 -5.470 -5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.036 -4.850 -5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.982 -4.434 -4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.767 -2.012 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.245 -1.234 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.838 -2.664 -7.736 1.00 0.00 H new ATOM 460 N VAL A 32 0.644 -2.527 -5.349 1.00 0.00 N ATOM 461 CA VAL A 32 2.048 -2.877 -5.530 1.00 0.00 C ATOM 462 C VAL A 32 2.374 -4.206 -4.858 1.00 0.00 C ATOM 463 O VAL A 32 1.535 -4.789 -4.171 1.00 0.00 O ATOM 464 CB VAL A 32 2.976 -1.786 -4.964 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.598 -0.422 -5.520 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.929 -1.784 -3.444 1.00 0.00 C ATOM 0 H VAL A 32 0.396 -2.255 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 32 2.217 -2.965 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 32 3.998 -2.006 -5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.265 0.336 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.688 -0.434 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.570 -0.189 -5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.590 -1.007 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.909 -1.589 -3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.253 -2.755 -3.069 1.00 0.00 H new ATOM 476 N TYR A 33 3.599 -4.680 -5.059 1.00 0.00 N ATOM 477 CA TYR A 33 4.036 -5.941 -4.473 1.00 0.00 C ATOM 478 C TYR A 33 5.213 -5.724 -3.527 1.00 0.00 C ATOM 479 O TYR A 33 6.285 -5.283 -3.943 1.00 0.00 O ATOM 480 CB TYR A 33 4.428 -6.930 -5.573 1.00 0.00 C ATOM 481 CG TYR A 33 4.477 -8.367 -5.106 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.310 -9.072 -4.841 1.00 0.00 C ATOM 483 CD2 TYR A 33 5.691 -9.020 -4.931 1.00 0.00 C ATOM 484 CE1 TYR A 33 3.350 -10.385 -4.413 1.00 0.00 C ATOM 485 CE2 TYR A 33 5.741 -10.333 -4.505 1.00 0.00 C ATOM 486 CZ TYR A 33 4.568 -11.011 -4.247 1.00 0.00 C ATOM 487 OH TYR A 33 4.613 -12.320 -3.823 1.00 0.00 O ATOM 0 H TYR A 33 4.307 -4.210 -5.623 1.00 0.00 H new ATOM 0 HA TYR A 33 3.205 -6.353 -3.901 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.716 -6.848 -6.394 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.405 -6.652 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.355 -8.585 -4.972 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.611 -8.492 -5.132 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.433 -10.918 -4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.693 -10.826 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 33 5.547 -12.611 -3.758 1.00 0.00 H new ATOM 497 N ILE A 34 5.005 -6.037 -2.253 1.00 0.00 N ATOM 498 CA ILE A 34 6.048 -5.878 -1.247 1.00 0.00 C ATOM 499 C ILE A 34 7.119 -6.954 -1.392 1.00 0.00 C ATOM 500 O ILE A 34 6.865 -8.135 -1.153 1.00 0.00 O ATOM 501 CB ILE A 34 5.469 -5.934 0.179 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.636 -4.683 0.464 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.588 -6.077 1.199 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.184 -4.820 0.064 1.00 0.00 C ATOM 0 H ILE A 34 4.124 -6.402 -1.893 1.00 0.00 H new ATOM 0 HA ILE A 34 6.496 -4.898 -1.409 1.00 0.00 H new ATOM 0 HB ILE A 34 4.819 -6.805 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.691 -4.454 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.072 -3.837 -0.067 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.163 -6.115 2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.142 -6.995 1.005 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.261 -5.223 1.122 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.654 -3.896 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.118 -5.018 -1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.731 -5.645 0.614 1.00 0.00 H new ATOM 516 N HIS A 35 8.320 -6.537 -1.782 1.00 0.00 N ATOM 517 CA HIS A 35 9.432 -7.465 -1.956 1.00 0.00 C ATOM 518 C HIS A 35 10.279 -7.541 -0.690 1.00 0.00 C ATOM 519 O HIS A 35 10.505 -8.621 -0.145 1.00 0.00 O ATOM 520 CB HIS A 35 10.300 -7.038 -3.140 1.00 0.00 C ATOM 521 CG HIS A 35 9.746 -7.451 -4.469 1.00 0.00 C ATOM 522 ND1 HIS A 35 10.193 -8.557 -5.160 1.00 0.00 N ATOM 523 CD2 HIS A 35 8.773 -6.900 -5.233 1.00 0.00 C ATOM 524 CE1 HIS A 35 9.522 -8.667 -6.292 1.00 0.00 C ATOM 525 NE2 HIS A 35 8.653 -7.674 -6.360 1.00 0.00 N ATOM 0 H HIS A 35 8.548 -5.563 -1.983 1.00 0.00 H new ATOM 0 HA HIS A 35 9.020 -8.454 -2.156 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.414 -5.954 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.296 -7.465 -3.022 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.198 -6.016 -4.999 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.660 -9.438 -7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.999 -7.509 -7.126 1.00 0.00 H new ATOM 533 N LYS A 36 10.747 -6.386 -0.227 1.00 0.00 N ATOM 534 CA LYS A 36 11.570 -6.320 0.975 1.00 0.00 C ATOM 535 C LYS A 36 11.043 -5.261 1.937 1.00 0.00 C ATOM 536 O LYS A 36 10.167 -4.471 1.585 1.00 0.00 O ATOM 537 CB LYS A 36 13.023 -6.012 0.607 1.00 0.00 C ATOM 538 CG LYS A 36 13.247 -4.577 0.164 1.00 0.00 C ATOM 539 CD LYS A 36 14.665 -4.117 0.461 1.00 0.00 C ATOM 540 CE LYS A 36 14.819 -3.691 1.913 1.00 0.00 C ATOM 541 NZ LYS A 36 16.248 -3.661 2.333 1.00 0.00 N ATOM 0 H LYS A 36 10.570 -5.483 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 36 11.525 -7.290 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.659 -6.221 1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.337 -6.683 -0.192 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.052 -4.490 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.538 -3.923 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.364 -4.924 0.241 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.923 -3.284 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.379 -2.703 2.050 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.266 -4.378 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.311 -3.366 3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.661 -4.609 2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.771 -2.987 1.738 1.00 0.00 H new ATOM 555 N GLU A 37 11.583 -5.249 3.152 1.00 0.00 N ATOM 556 CA GLU A 37 11.166 -4.286 4.163 1.00 0.00 C ATOM 557 C GLU A 37 12.272 -3.270 4.436 1.00 0.00 C ATOM 558 O GLU A 37 13.294 -3.595 5.040 1.00 0.00 O ATOM 559 CB GLU A 37 10.789 -5.005 5.460 1.00 0.00 C ATOM 560 CG GLU A 37 10.232 -4.080 6.529 1.00 0.00 C ATOM 561 CD GLU A 37 9.893 -4.811 7.814 1.00 0.00 C ATOM 562 OE1 GLU A 37 10.722 -5.628 8.267 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.801 -4.566 8.366 1.00 0.00 O ATOM 0 H GLU A 37 12.310 -5.895 3.459 1.00 0.00 H new ATOM 0 HA GLU A 37 10.293 -3.755 3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.051 -5.775 5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.670 -5.512 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.960 -3.297 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.337 -3.588 6.148 1.00 0.00 H new ATOM 570 N VAL A 38 12.060 -2.038 3.984 1.00 0.00 N ATOM 571 CA VAL A 38 13.038 -0.974 4.179 1.00 0.00 C ATOM 572 C VAL A 38 13.155 -0.598 5.652 1.00 0.00 C ATOM 573 O VAL A 38 14.222 -0.725 6.253 1.00 0.00 O ATOM 574 CB VAL A 38 12.669 0.283 3.368 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.782 1.316 3.448 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.375 -0.085 1.921 1.00 0.00 C ATOM 0 H VAL A 38 11.220 -1.752 3.481 1.00 0.00 H new ATOM 0 HA VAL A 38 13.996 -1.357 3.827 1.00 0.00 H new ATOM 0 HB VAL A 38 11.768 0.721 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.503 2.197 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.940 1.601 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.701 0.892 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.116 0.814 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.257 -0.547 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.541 -0.786 1.886 1.00 0.00 H new ATOM 586 N ASP A 39 12.051 -0.134 6.228 1.00 0.00 N ATOM 587 CA ASP A 39 12.029 0.259 7.632 1.00 0.00 C ATOM 588 C ASP A 39 10.810 -0.324 8.340 1.00 0.00 C ATOM 589 O ASP A 39 9.951 -0.943 7.713 1.00 0.00 O ATOM 590 CB ASP A 39 12.026 1.784 7.756 1.00 0.00 C ATOM 591 CG ASP A 39 12.594 2.258 9.079 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.550 1.626 9.574 1.00 0.00 O ATOM 593 OD2 ASP A 39 12.083 3.261 9.620 1.00 0.00 O ATOM 0 H ASP A 39 11.160 -0.021 5.744 1.00 0.00 H new ATOM 0 HA ASP A 39 12.926 -0.135 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.607 2.213 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.006 2.152 7.649 1.00 0.00 H new ATOM 598 N LYS A 40 10.743 -0.123 9.652 1.00 0.00 N ATOM 599 CA LYS A 40 9.630 -0.628 10.448 1.00 0.00 C ATOM 600 C LYS A 40 8.294 -0.247 9.818 1.00 0.00 C ATOM 601 O LYS A 40 7.331 -1.011 9.873 1.00 0.00 O ATOM 602 CB LYS A 40 9.707 -0.081 11.875 1.00 0.00 C ATOM 603 CG LYS A 40 10.588 -0.908 12.796 1.00 0.00 C ATOM 604 CD LYS A 40 9.797 -2.007 13.486 1.00 0.00 C ATOM 605 CE LYS A 40 10.671 -2.810 14.436 1.00 0.00 C ATOM 606 NZ LYS A 40 10.112 -4.166 14.692 1.00 0.00 N ATOM 0 H LYS A 40 11.447 0.386 10.187 1.00 0.00 H new ATOM 0 HA LYS A 40 9.701 -1.715 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.086 0.940 11.844 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.701 -0.035 12.293 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.402 -1.350 12.222 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.042 -0.260 13.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.966 -1.567 14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.366 -2.671 12.737 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.673 -2.903 14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.769 -2.274 15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.737 -4.682 15.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.166 -4.077 15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.042 -4.688 13.795 1.00 0.00 H new ATOM 620 N ASN A 41 8.244 0.938 9.218 1.00 0.00 N ATOM 621 CA ASN A 41 7.026 1.419 8.576 1.00 0.00 C ATOM 622 C ASN A 41 7.212 1.525 7.066 1.00 0.00 C ATOM 623 O ASN A 41 6.273 1.312 6.299 1.00 0.00 O ATOM 624 CB ASN A 41 6.626 2.780 9.149 1.00 0.00 C ATOM 625 CG ASN A 41 5.712 2.656 10.353 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.671 1.616 11.010 1.00 0.00 O ATOM 627 ND2 ASN A 41 4.974 3.720 10.647 1.00 0.00 N ATOM 0 H ASN A 41 9.033 1.583 9.163 1.00 0.00 H new ATOM 0 HA ASN A 41 6.231 0.700 8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.524 3.329 9.433 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.126 3.364 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.340 3.696 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.041 4.561 10.074 1.00 0.00 H new ATOM 634 N TRP A 42 8.428 1.854 6.647 1.00 0.00 N ATOM 635 CA TRP A 42 8.737 1.987 5.228 1.00 0.00 C ATOM 636 C TRP A 42 8.939 0.620 4.584 1.00 0.00 C ATOM 637 O TRP A 42 9.476 -0.297 5.206 1.00 0.00 O ATOM 638 CB TRP A 42 9.989 2.845 5.036 1.00 0.00 C ATOM 639 CG TRP A 42 9.794 4.277 5.433 1.00 0.00 C ATOM 640 CD1 TRP A 42 9.990 4.818 6.671 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.364 5.349 4.588 1.00 0.00 C ATOM 642 NE1 TRP A 42 9.707 6.163 6.647 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.322 6.513 5.380 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.012 5.441 3.238 1.00 0.00 C ATOM 645 CZ2 TRP A 42 8.941 7.750 4.867 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.634 6.669 2.730 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.601 7.810 3.542 1.00 0.00 C ATOM 0 H TRP A 42 9.216 2.034 7.269 1.00 0.00 H new ATOM 0 HA TRP A 42 7.892 2.475 4.742 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.805 2.421 5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.292 2.803 3.990 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.319 4.270 7.541 1.00 0.00 H new ATOM 0 HE1 TRP A 42 9.773 6.797 7.443 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.035 4.567 2.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.915 8.631 5.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.359 6.751 1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.302 8.756 3.115 1.00 0.00 H new ATOM 658 N LEU A 43 8.507 0.489 3.335 1.00 0.00 N ATOM 659 CA LEU A 43 8.641 -0.767 2.606 1.00 0.00 C ATOM 660 C LEU A 43 9.179 -0.526 1.199 1.00 0.00 C ATOM 661 O LEU A 43 9.141 0.596 0.694 1.00 0.00 O ATOM 662 CB LEU A 43 7.291 -1.483 2.532 1.00 0.00 C ATOM 663 CG LEU A 43 6.501 -1.562 3.839 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.082 -2.042 3.577 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.201 -2.479 4.831 1.00 0.00 C ATOM 0 H LEU A 43 8.061 1.238 2.806 1.00 0.00 H new ATOM 0 HA LEU A 43 9.351 -1.396 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.675 -0.978 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.460 -2.497 2.171 1.00 0.00 H new ATOM 0 HG LEU A 43 6.451 -0.563 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.535 -2.092 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.581 -1.347 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.111 -3.032 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.625 -2.523 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.283 -3.480 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.198 -2.092 5.043 1.00 0.00 H new ATOM 677 N GLU A 44 9.676 -1.587 0.571 1.00 0.00 N ATOM 678 CA GLU A 44 10.220 -1.490 -0.778 1.00 0.00 C ATOM 679 C GLU A 44 9.260 -2.098 -1.797 1.00 0.00 C ATOM 680 O GLU A 44 8.426 -2.936 -1.457 1.00 0.00 O ATOM 681 CB GLU A 44 11.577 -2.192 -0.857 1.00 0.00 C ATOM 682 CG GLU A 44 12.357 -1.870 -2.120 1.00 0.00 C ATOM 683 CD GLU A 44 11.921 -2.710 -3.305 1.00 0.00 C ATOM 684 OE1 GLU A 44 11.423 -3.834 -3.083 1.00 0.00 O ATOM 685 OE2 GLU A 44 12.078 -2.245 -4.453 1.00 0.00 O ATOM 0 H GLU A 44 9.713 -2.523 0.975 1.00 0.00 H new ATOM 0 HA GLU A 44 10.352 -0.434 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.174 -1.909 0.010 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.423 -3.270 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.231 -0.815 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.420 -2.030 -1.937 1.00 0.00 H new ATOM 692 N GLY A 45 9.385 -1.668 -3.049 1.00 0.00 N ATOM 693 CA GLY A 45 8.523 -2.180 -4.098 1.00 0.00 C ATOM 694 C GLY A 45 9.078 -1.919 -5.484 1.00 0.00 C ATOM 695 O GLY A 45 9.859 -0.988 -5.681 1.00 0.00 O ATOM 0 H GLY A 45 10.068 -0.975 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.387 -3.253 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.539 -1.720 -4.012 1.00 0.00 H new ATOM 699 N GLU A 46 8.676 -2.743 -6.446 1.00 0.00 N ATOM 700 CA GLU A 46 9.141 -2.597 -7.820 1.00 0.00 C ATOM 701 C GLU A 46 7.965 -2.549 -8.791 1.00 0.00 C ATOM 702 O GLU A 46 7.209 -3.512 -8.917 1.00 0.00 O ATOM 703 CB GLU A 46 10.076 -3.751 -8.191 1.00 0.00 C ATOM 704 CG GLU A 46 10.546 -3.714 -9.635 1.00 0.00 C ATOM 705 CD GLU A 46 11.547 -4.808 -9.952 1.00 0.00 C ATOM 706 OE1 GLU A 46 12.758 -4.579 -9.751 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.119 -5.892 -10.400 1.00 0.00 O ATOM 0 H GLU A 46 8.030 -3.518 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 46 9.688 -1.657 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.946 -3.728 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.563 -4.696 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.685 -3.812 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.997 -2.743 -9.841 1.00 0.00 H new ATOM 798 N GLY A 52 11.591 2.115 -6.401 1.00 0.00 N ATOM 799 CA GLY A 52 12.116 2.870 -5.278 1.00 0.00 C ATOM 800 C GLY A 52 11.544 2.410 -3.952 1.00 0.00 C ATOM 801 O GLY A 52 11.386 1.211 -3.719 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.201 2.773 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.893 3.928 -5.419 1.00 0.00 H new ATOM 805 N ILE A 53 11.235 3.364 -3.080 1.00 0.00 N ATOM 806 CA ILE A 53 10.678 3.049 -1.770 1.00 0.00 C ATOM 807 C ILE A 53 9.337 3.745 -1.562 1.00 0.00 C ATOM 808 O ILE A 53 9.017 4.718 -2.245 1.00 0.00 O ATOM 809 CB ILE A 53 11.637 3.458 -0.637 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.828 4.976 -0.625 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.976 2.752 -0.796 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.607 5.478 0.572 1.00 0.00 C ATOM 0 H ILE A 53 11.361 4.361 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 53 10.533 1.969 -1.740 1.00 0.00 H new ATOM 0 HB ILE A 53 11.200 3.157 0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.345 5.276 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.850 5.457 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.643 3.051 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.825 1.673 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.420 3.025 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.704 6.562 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.081 5.209 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.598 5.025 0.577 1.00 0.00 H new ATOM 824 N PHE A 54 8.556 3.240 -0.612 1.00 0.00 N ATOM 825 CA PHE A 54 7.249 3.813 -0.312 1.00 0.00 C ATOM 826 C PHE A 54 6.815 3.464 1.108 1.00 0.00 C ATOM 827 O PHE A 54 7.208 2.442 1.671 1.00 0.00 O ATOM 828 CB PHE A 54 6.207 3.312 -1.314 1.00 0.00 C ATOM 829 CG PHE A 54 5.912 1.845 -1.188 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.738 0.905 -1.783 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.808 1.405 -0.475 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.469 -0.446 -1.670 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.534 0.055 -0.358 1.00 0.00 C ATOM 834 CZ PHE A 54 5.366 -0.871 -0.955 1.00 0.00 C ATOM 0 H PHE A 54 8.806 2.435 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 54 7.328 4.897 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.283 3.873 -1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.558 3.518 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.602 1.232 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.154 2.125 -0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.120 -1.168 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.670 -0.275 0.200 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.155 -1.926 -0.863 1.00 0.00 H new ATOM 844 N PRO A 55 5.985 4.333 1.703 1.00 0.00 N ATOM 845 CA PRO A 55 5.479 4.139 3.066 1.00 0.00 C ATOM 846 C PRO A 55 4.490 2.981 3.157 1.00 0.00 C ATOM 847 O PRO A 55 3.943 2.539 2.148 1.00 0.00 O ATOM 848 CB PRO A 55 4.780 5.464 3.377 1.00 0.00 C ATOM 849 CG PRO A 55 4.400 6.014 2.045 1.00 0.00 C ATOM 850 CD PRO A 55 5.476 5.572 1.092 1.00 0.00 C ATOM 0 HA PRO A 55 6.277 3.888 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.904 5.311 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.442 6.145 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.425 5.641 1.733 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.330 7.101 2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.079 5.394 0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.260 6.323 0.994 1.00 0.00 H new ATOM 858 N ALA A 56 4.267 2.495 4.374 1.00 0.00 N ATOM 859 CA ALA A 56 3.342 1.391 4.597 1.00 0.00 C ATOM 860 C ALA A 56 1.925 1.901 4.834 1.00 0.00 C ATOM 861 O ALA A 56 0.980 1.463 4.178 1.00 0.00 O ATOM 862 CB ALA A 56 3.804 0.545 5.774 1.00 0.00 C ATOM 0 H ALA A 56 4.714 2.848 5.220 1.00 0.00 H new ATOM 0 HA ALA A 56 3.332 0.772 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.104 -0.276 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.795 0.142 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.845 1.162 6.672 1.00 0.00 H new ATOM 868 N ASN A 57 1.784 2.828 5.775 1.00 0.00 N ATOM 869 CA ASN A 57 0.481 3.396 6.100 1.00 0.00 C ATOM 870 C ASN A 57 -0.319 3.683 4.832 1.00 0.00 C ATOM 871 O ASN A 57 -1.435 3.190 4.665 1.00 0.00 O ATOM 872 CB ASN A 57 0.650 4.683 6.911 1.00 0.00 C ATOM 873 CG ASN A 57 -0.503 5.648 6.711 1.00 0.00 C ATOM 874 OD1 ASN A 57 -1.626 5.390 7.144 1.00 0.00 O ATOM 875 ND2 ASN A 57 -0.229 6.768 6.051 1.00 0.00 N ATOM 0 H ASN A 57 2.556 3.202 6.326 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.066 2.667 6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.733 4.434 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.582 5.170 6.624 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.964 7.455 5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.717 6.941 5.710 1.00 0.00 H new ATOM 882 N TYR A 58 0.260 4.481 3.942 1.00 0.00 N ATOM 883 CA TYR A 58 -0.398 4.834 2.690 1.00 0.00 C ATOM 884 C TYR A 58 -1.166 3.644 2.123 1.00 0.00 C ATOM 885 O TYR A 58 -2.219 3.806 1.508 1.00 0.00 O ATOM 886 CB TYR A 58 0.630 5.325 1.670 1.00 0.00 C ATOM 887 CG TYR A 58 0.869 6.817 1.721 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.682 7.377 2.699 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.282 7.668 0.792 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.903 8.740 2.751 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.499 9.031 0.835 1.00 0.00 C ATOM 892 CZ TYR A 58 1.310 9.563 1.816 1.00 0.00 C ATOM 893 OH TYR A 58 1.527 10.921 1.863 1.00 0.00 O ATOM 0 H TYR A 58 1.184 4.896 4.064 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.107 5.636 2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.574 4.808 1.841 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.295 5.053 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.149 6.736 3.431 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.355 7.256 0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.536 9.159 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.036 9.677 0.104 1.00 0.00 H new ATOM 0 HH TYR A 58 1.038 11.356 1.134 1.00 0.00 H new ATOM 903 N VAL A 59 -0.629 2.447 2.336 1.00 0.00 N ATOM 904 CA VAL A 59 -1.263 1.227 1.849 1.00 0.00 C ATOM 905 C VAL A 59 -1.626 0.298 3.002 1.00 0.00 C ATOM 906 O VAL A 59 -1.254 0.542 4.149 1.00 0.00 O ATOM 907 CB VAL A 59 -0.348 0.473 0.866 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.051 1.333 -0.353 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.940 0.050 1.556 1.00 0.00 C ATOM 0 H VAL A 59 0.243 2.296 2.842 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.172 1.529 1.329 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.866 -0.425 0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.597 0.784 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.984 1.582 -0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.447 2.250 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.575 -0.481 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.464 0.933 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.705 -0.605 2.395 1.00 0.00 H new ATOM 919 N GLU A 60 -2.356 -0.768 2.689 1.00 0.00 N ATOM 920 CA GLU A 60 -2.770 -1.733 3.700 1.00 0.00 C ATOM 921 C GLU A 60 -3.019 -3.103 3.074 1.00 0.00 C ATOM 922 O GLU A 60 -3.694 -3.217 2.051 1.00 0.00 O ATOM 923 CB GLU A 60 -4.034 -1.248 4.413 1.00 0.00 C ATOM 924 CG GLU A 60 -4.477 -2.154 5.550 1.00 0.00 C ATOM 925 CD GLU A 60 -5.203 -3.392 5.061 1.00 0.00 C ATOM 926 OE1 GLU A 60 -5.683 -3.383 3.908 1.00 0.00 O ATOM 927 OE2 GLU A 60 -5.290 -4.371 5.831 1.00 0.00 O ATOM 0 H GLU A 60 -2.673 -0.985 1.744 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.964 -1.826 4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.858 -0.246 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.843 -1.168 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.605 -2.455 6.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.130 -1.596 6.221 1.00 0.00 H new ATOM 934 N VAL A 61 -2.470 -4.140 3.697 1.00 0.00 N ATOM 935 CA VAL A 61 -2.632 -5.503 3.203 1.00 0.00 C ATOM 936 C VAL A 61 -4.106 -5.871 3.081 1.00 0.00 C ATOM 937 O VAL A 61 -4.806 -6.017 4.084 1.00 0.00 O ATOM 938 CB VAL A 61 -1.934 -6.521 4.125 1.00 0.00 C ATOM 939 CG1 VAL A 61 -2.172 -7.939 3.630 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.446 -6.222 4.217 1.00 0.00 C ATOM 0 H VAL A 61 -1.909 -4.063 4.545 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.168 -5.540 2.217 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.361 -6.434 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.672 -8.645 4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.242 -8.146 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.773 -8.044 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.032 -6.950 4.872 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.001 -6.281 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.300 -5.220 4.621 1.00 0.00 H new