USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -164:sc= -2.63! (180deg=-2.62!) USER MOD Set 1.2: A 70 MET CE :methyl -179:sc= -0.678 (180deg=-0.446) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0.335 (180deg=0.268) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= 0.0388 (180deg=-0.0675) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc=-0.00157 (180deg=-0.0756) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 1.21 (180deg=-0.204) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0.775 (180deg=0.772) USER MOD Single : A 49 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 50 MET CE :methyl -158:sc= -0.392 (180deg=-1.33) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.2) USER MOD Single : A 61 MET CE :methyl 174:sc= -1 (180deg=-1.01) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0392 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.17) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 0.859 (180deg=0.627) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00333) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.985 -13.620 8.778 1.00 3.10 N ATOM 114 CA LYS A 7 0.377 -13.065 8.552 1.00 43.34 C ATOM 115 C LYS A 7 0.459 -12.254 7.234 1.00 1.21 C ATOM 116 O LYS A 7 1.308 -11.370 7.099 1.00 14.51 O ATOM 117 CB LYS A 7 1.469 -14.171 8.632 1.00 31.35 C ATOM 118 CG LYS A 7 1.940 -14.510 10.073 1.00 22.45 C ATOM 119 CD LYS A 7 0.806 -15.008 10.999 1.00 21.04 C ATOM 120 CE LYS A 7 1.268 -15.257 12.443 1.00 31.51 C ATOM 121 NZ LYS A 7 1.704 -14.020 13.117 1.00 32.43 N ATOM 0 HA LYS A 7 0.578 -12.364 9.362 1.00 43.34 H new ATOM 0 HB2 LYS A 7 1.084 -15.078 8.167 1.00 31.35 H new ATOM 0 HB3 LYS A 7 2.332 -13.854 8.047 1.00 31.35 H new ATOM 0 HG2 LYS A 7 2.716 -15.274 10.021 1.00 22.45 H new ATOM 0 HG3 LYS A 7 2.394 -13.623 10.515 1.00 22.45 H new ATOM 0 HD2 LYS A 7 0.001 -14.273 11.004 1.00 21.04 H new ATOM 0 HD3 LYS A 7 0.393 -15.931 10.592 1.00 21.04 H new ATOM 0 HE2 LYS A 7 0.453 -15.708 13.009 1.00 31.51 H new ATOM 0 HE3 LYS A 7 2.089 -15.974 12.440 1.00 31.51 H new ATOM 0 HZ1 LYS A 7 1.925 -14.226 14.112 1.00 32.43 H new ATOM 0 HZ2 LYS A 7 2.552 -13.647 12.644 1.00 32.43 H new ATOM 0 HZ3 LYS A 7 0.943 -13.313 13.071 1.00 32.43 H new ATOM 135 N LEU A 8 -0.410 -12.603 6.268 1.00 61.30 N ATOM 136 CA LEU A 8 -0.619 -11.830 5.017 1.00 3.31 C ATOM 137 C LEU A 8 -0.955 -10.339 5.343 1.00 14.53 C ATOM 138 O LEU A 8 -0.268 -9.426 4.867 1.00 74.13 O ATOM 139 CB LEU A 8 -1.762 -12.514 4.187 1.00 5.02 C ATOM 140 CG LEU A 8 -1.891 -12.187 2.652 1.00 54.40 C ATOM 141 CD1 LEU A 8 -2.830 -13.206 1.960 1.00 63.11 C ATOM 142 CD2 LEU A 8 -2.382 -10.739 2.377 1.00 34.31 C ATOM 0 H LEU A 8 -0.995 -13.436 6.329 1.00 61.30 H new ATOM 0 HA LEU A 8 0.295 -11.828 4.423 1.00 3.31 H new ATOM 0 HB2 LEU A 8 -1.639 -13.593 4.284 1.00 5.02 H new ATOM 0 HB3 LEU A 8 -2.710 -12.257 4.659 1.00 5.02 H new ATOM 0 HG LEU A 8 -0.888 -12.266 2.233 1.00 54.40 H new ATOM 0 HD11 LEU A 8 -2.909 -12.966 0.900 1.00 63.11 H new ATOM 0 HD12 LEU A 8 -2.425 -14.211 2.076 1.00 63.11 H new ATOM 0 HD13 LEU A 8 -3.818 -13.159 2.417 1.00 63.11 H new ATOM 0 HD21 LEU A 8 -2.450 -10.576 1.301 1.00 34.31 H new ATOM 0 HD22 LEU A 8 -3.364 -10.596 2.829 1.00 34.31 H new ATOM 0 HD23 LEU A 8 -1.677 -10.028 2.808 1.00 34.31 H new ATOM 154 N LEU A 9 -2.007 -10.104 6.170 1.00 1.03 N ATOM 155 CA LEU A 9 -2.395 -8.731 6.606 1.00 74.42 C ATOM 156 C LEU A 9 -1.440 -8.176 7.692 1.00 22.42 C ATOM 157 O LEU A 9 -1.251 -6.970 7.791 1.00 3.51 O ATOM 158 CB LEU A 9 -3.904 -8.664 7.033 1.00 63.21 C ATOM 159 CG LEU A 9 -4.445 -9.669 8.123 1.00 44.50 C ATOM 160 CD1 LEU A 9 -4.020 -9.297 9.565 1.00 61.10 C ATOM 161 CD2 LEU A 9 -5.983 -9.794 8.038 1.00 55.02 C ATOM 0 H LEU A 9 -2.601 -10.842 6.548 1.00 1.03 H new ATOM 0 HA LEU A 9 -2.288 -8.073 5.744 1.00 74.42 H new ATOM 0 HB2 LEU A 9 -4.097 -7.654 7.394 1.00 63.21 H new ATOM 0 HB3 LEU A 9 -4.505 -8.801 6.134 1.00 63.21 H new ATOM 0 HG LEU A 9 -3.988 -10.633 7.899 1.00 44.50 H new ATOM 0 HD11 LEU A 9 -4.425 -10.029 10.264 1.00 61.10 H new ATOM 0 HD12 LEU A 9 -2.932 -9.293 9.634 1.00 61.10 H new ATOM 0 HD13 LEU A 9 -4.403 -8.307 9.813 1.00 61.10 H new ATOM 0 HD21 LEU A 9 -6.334 -10.492 8.798 1.00 55.02 H new ATOM 0 HD22 LEU A 9 -6.437 -8.817 8.204 1.00 55.02 H new ATOM 0 HD23 LEU A 9 -6.264 -10.161 7.051 1.00 55.02 H new ATOM 173 N GLU A 10 -0.823 -9.072 8.483 1.00 2.52 N ATOM 174 CA GLU A 10 0.157 -8.691 9.534 1.00 53.00 C ATOM 175 C GLU A 10 1.430 -8.069 8.906 1.00 13.43 C ATOM 176 O GLU A 10 2.098 -7.256 9.534 1.00 61.34 O ATOM 177 CB GLU A 10 0.526 -9.930 10.391 1.00 62.33 C ATOM 178 CG GLU A 10 1.486 -9.657 11.570 1.00 15.41 C ATOM 179 CD GLU A 10 1.885 -10.923 12.330 1.00 0.35 C ATOM 180 OE1 GLU A 10 2.834 -11.619 11.897 1.00 52.24 O ATOM 181 OE2 GLU A 10 1.236 -11.247 13.351 1.00 30.43 O ATOM 0 H GLU A 10 -0.984 -10.077 8.418 1.00 2.52 H new ATOM 0 HA GLU A 10 -0.303 -7.940 10.177 1.00 53.00 H new ATOM 0 HB2 GLU A 10 -0.393 -10.365 10.785 1.00 62.33 H new ATOM 0 HB3 GLU A 10 0.979 -10.678 9.741 1.00 62.33 H new ATOM 0 HG2 GLU A 10 2.385 -9.170 11.192 1.00 15.41 H new ATOM 0 HG3 GLU A 10 1.012 -8.960 12.262 1.00 15.41 H new ATOM 188 N LYS A 11 1.776 -8.515 7.686 1.00 43.40 N ATOM 189 CA LYS A 11 2.833 -7.888 6.864 1.00 13.22 C ATOM 190 C LYS A 11 2.299 -6.613 6.170 1.00 63.00 C ATOM 191 O LYS A 11 2.879 -5.529 6.303 1.00 31.24 O ATOM 192 CB LYS A 11 3.377 -8.900 5.810 1.00 4.03 C ATOM 193 CG LYS A 11 4.508 -8.384 4.862 1.00 13.41 C ATOM 194 CD LYS A 11 5.909 -8.203 5.534 1.00 5.12 C ATOM 195 CE LYS A 11 6.081 -6.879 6.304 1.00 41.42 C ATOM 196 NZ LYS A 11 7.436 -6.751 6.909 1.00 43.01 N ATOM 0 H LYS A 11 1.333 -9.319 7.240 1.00 43.40 H new ATOM 0 HA LYS A 11 3.654 -7.601 7.521 1.00 13.22 H new ATOM 0 HB2 LYS A 11 3.750 -9.776 6.340 1.00 4.03 H new ATOM 0 HB3 LYS A 11 2.541 -9.232 5.194 1.00 4.03 H new ATOM 0 HG2 LYS A 11 4.609 -9.081 4.030 1.00 13.41 H new ATOM 0 HG3 LYS A 11 4.199 -7.428 4.441 1.00 13.41 H new ATOM 0 HD2 LYS A 11 6.079 -9.033 6.220 1.00 5.12 H new ATOM 0 HD3 LYS A 11 6.678 -8.264 4.764 1.00 5.12 H new ATOM 0 HE2 LYS A 11 5.907 -6.042 5.628 1.00 41.42 H new ATOM 0 HE3 LYS A 11 5.327 -6.817 7.089 1.00 41.42 H new ATOM 0 HZ1 LYS A 11 7.506 -5.846 7.416 1.00 43.01 H new ATOM 0 HZ2 LYS A 11 7.594 -7.534 7.575 1.00 43.01 H new ATOM 0 HZ3 LYS A 11 8.156 -6.784 6.159 1.00 43.01 H new ATOM 210 N LEU A 12 1.165 -6.775 5.455 1.00 74.41 N ATOM 211 CA LEU A 12 0.579 -5.740 4.572 1.00 20.31 C ATOM 212 C LEU A 12 0.258 -4.412 5.307 1.00 3.01 C ATOM 213 O LEU A 12 0.729 -3.353 4.898 1.00 41.41 O ATOM 214 CB LEU A 12 -0.712 -6.277 3.901 1.00 42.22 C ATOM 215 CG LEU A 12 -1.395 -5.310 2.878 1.00 5.22 C ATOM 216 CD1 LEU A 12 -0.537 -5.132 1.598 1.00 33.42 C ATOM 217 CD2 LEU A 12 -2.825 -5.778 2.544 1.00 73.43 C ATOM 0 H LEU A 12 0.623 -7.639 5.474 1.00 74.41 H new ATOM 0 HA LEU A 12 1.337 -5.517 3.821 1.00 20.31 H new ATOM 0 HB2 LEU A 12 -0.473 -7.209 3.389 1.00 42.22 H new ATOM 0 HB3 LEU A 12 -1.433 -6.518 4.682 1.00 42.22 H new ATOM 0 HG LEU A 12 -1.470 -4.330 3.349 1.00 5.22 H new ATOM 0 HD11 LEU A 12 -1.044 -4.454 0.912 1.00 33.42 H new ATOM 0 HD12 LEU A 12 0.435 -4.717 1.866 1.00 33.42 H new ATOM 0 HD13 LEU A 12 -0.398 -6.100 1.116 1.00 33.42 H new ATOM 0 HD21 LEU A 12 -3.276 -5.088 1.831 1.00 73.43 H new ATOM 0 HD22 LEU A 12 -2.789 -6.777 2.109 1.00 73.43 H new ATOM 0 HD23 LEU A 12 -3.423 -5.801 3.455 1.00 73.43 H new ATOM 229 N GLU A 13 -0.558 -4.489 6.380 1.00 44.14 N ATOM 230 CA GLU A 13 -1.014 -3.299 7.149 1.00 1.52 C ATOM 231 C GLU A 13 0.165 -2.444 7.653 1.00 42.00 C ATOM 232 O GLU A 13 0.122 -1.221 7.554 1.00 42.22 O ATOM 233 CB GLU A 13 -1.906 -3.722 8.344 1.00 61.42 C ATOM 234 CG GLU A 13 -3.206 -4.442 7.932 1.00 73.25 C ATOM 235 CD GLU A 13 -4.073 -4.861 9.130 1.00 22.32 C ATOM 236 OE1 GLU A 13 -3.792 -5.908 9.746 1.00 61.01 O ATOM 237 OE2 GLU A 13 -5.040 -4.139 9.463 1.00 30.24 O ATOM 0 H GLU A 13 -0.921 -5.371 6.741 1.00 44.14 H new ATOM 0 HA GLU A 13 -1.600 -2.688 6.462 1.00 1.52 H new ATOM 0 HB2 GLU A 13 -1.332 -4.377 8.999 1.00 61.42 H new ATOM 0 HB3 GLU A 13 -2.162 -2.836 8.925 1.00 61.42 H new ATOM 0 HG2 GLU A 13 -3.787 -3.786 7.283 1.00 73.25 H new ATOM 0 HG3 GLU A 13 -2.954 -5.327 7.347 1.00 73.25 H new ATOM 244 N LYS A 14 1.223 -3.114 8.154 1.00 64.41 N ATOM 245 CA LYS A 14 2.452 -2.442 8.656 1.00 73.32 C ATOM 246 C LYS A 14 3.113 -1.601 7.546 1.00 11.41 C ATOM 247 O LYS A 14 3.507 -0.457 7.781 1.00 32.23 O ATOM 248 CB LYS A 14 3.464 -3.490 9.188 1.00 11.32 C ATOM 249 CG LYS A 14 2.878 -4.474 10.211 1.00 51.41 C ATOM 250 CD LYS A 14 2.429 -3.819 11.536 1.00 50.41 C ATOM 251 CE LYS A 14 1.674 -4.811 12.445 1.00 55.34 C ATOM 252 NZ LYS A 14 2.406 -6.101 12.610 1.00 61.32 N ATOM 0 H LYS A 14 1.256 -4.131 8.224 1.00 64.41 H new ATOM 0 HA LYS A 14 2.161 -1.779 9.471 1.00 73.32 H new ATOM 0 HB2 LYS A 14 3.861 -4.055 8.345 1.00 11.32 H new ATOM 0 HB3 LYS A 14 4.304 -2.967 9.645 1.00 11.32 H new ATOM 0 HG2 LYS A 14 2.024 -4.981 9.762 1.00 51.41 H new ATOM 0 HG3 LYS A 14 3.623 -5.238 10.431 1.00 51.41 H new ATOM 0 HD2 LYS A 14 3.302 -3.435 12.065 1.00 50.41 H new ATOM 0 HD3 LYS A 14 1.787 -2.965 11.319 1.00 50.41 H new ATOM 0 HE2 LYS A 14 1.518 -4.357 13.424 1.00 55.34 H new ATOM 0 HE3 LYS A 14 0.688 -5.007 12.024 1.00 55.34 H new ATOM 0 HZ1 LYS A 14 1.951 -6.665 13.356 1.00 61.32 H new ATOM 0 HZ2 LYS A 14 2.385 -6.629 11.714 1.00 61.32 H new ATOM 0 HZ3 LYS A 14 3.393 -5.909 12.875 1.00 61.32 H new ATOM 266 N ILE A 15 3.192 -2.194 6.334 1.00 73.12 N ATOM 267 CA ILE A 15 3.690 -1.515 5.116 1.00 34.35 C ATOM 268 C ILE A 15 2.856 -0.245 4.820 1.00 31.31 C ATOM 269 O ILE A 15 3.413 0.824 4.605 1.00 52.12 O ATOM 270 CB ILE A 15 3.665 -2.498 3.872 1.00 3.51 C ATOM 271 CG1 ILE A 15 4.570 -3.748 4.144 1.00 32.13 C ATOM 272 CG2 ILE A 15 4.087 -1.787 2.561 1.00 33.12 C ATOM 273 CD1 ILE A 15 4.556 -4.805 3.051 1.00 12.13 C ATOM 0 H ILE A 15 2.911 -3.161 6.172 1.00 73.12 H new ATOM 0 HA ILE A 15 4.723 -1.216 5.294 1.00 34.35 H new ATOM 0 HB ILE A 15 2.636 -2.832 3.739 1.00 3.51 H new ATOM 0 HG12 ILE A 15 5.596 -3.410 4.288 1.00 32.13 H new ATOM 0 HG13 ILE A 15 4.253 -4.210 5.079 1.00 32.13 H new ATOM 0 HG21 ILE A 15 4.055 -2.498 1.735 1.00 33.12 H new ATOM 0 HG22 ILE A 15 3.403 -0.963 2.357 1.00 33.12 H new ATOM 0 HG23 ILE A 15 5.100 -1.399 2.667 1.00 33.12 H new ATOM 0 HD11 ILE A 15 5.212 -5.628 3.333 1.00 12.13 H new ATOM 0 HD12 ILE A 15 3.541 -5.179 2.920 1.00 12.13 H new ATOM 0 HD13 ILE A 15 4.905 -4.366 2.116 1.00 12.13 H new ATOM 285 N LEU A 16 1.515 -0.381 4.872 1.00 30.45 N ATOM 286 CA LEU A 16 0.559 0.742 4.656 1.00 55.44 C ATOM 287 C LEU A 16 0.740 1.879 5.704 1.00 23.53 C ATOM 288 O LEU A 16 0.604 3.060 5.369 1.00 61.24 O ATOM 289 CB LEU A 16 -0.914 0.211 4.657 1.00 13.22 C ATOM 290 CG LEU A 16 -1.466 -0.373 3.305 1.00 62.31 C ATOM 291 CD1 LEU A 16 -0.526 -1.430 2.684 1.00 1.40 C ATOM 292 CD2 LEU A 16 -2.893 -0.949 3.497 1.00 31.04 C ATOM 0 H LEU A 16 1.056 -1.271 5.065 1.00 30.45 H new ATOM 0 HA LEU A 16 0.777 1.174 3.679 1.00 55.44 H new ATOM 0 HB2 LEU A 16 -0.993 -0.565 5.418 1.00 13.22 H new ATOM 0 HB3 LEU A 16 -1.568 1.027 4.965 1.00 13.22 H new ATOM 0 HG LEU A 16 -1.514 0.457 2.600 1.00 62.31 H new ATOM 0 HD11 LEU A 16 -0.957 -1.798 1.753 1.00 1.40 H new ATOM 0 HD12 LEU A 16 0.445 -0.979 2.481 1.00 1.40 H new ATOM 0 HD13 LEU A 16 -0.402 -2.260 3.380 1.00 1.40 H new ATOM 0 HD21 LEU A 16 -3.255 -1.347 2.549 1.00 31.04 H new ATOM 0 HD22 LEU A 16 -2.867 -1.747 4.240 1.00 31.04 H new ATOM 0 HD23 LEU A 16 -3.562 -0.158 3.837 1.00 31.04 H new ATOM 304 N ASP A 17 1.057 1.511 6.964 1.00 43.11 N ATOM 305 CA ASP A 17 1.386 2.493 8.031 1.00 73.10 C ATOM 306 C ASP A 17 2.727 3.213 7.745 1.00 12.03 C ATOM 307 O ASP A 17 2.886 4.390 8.065 1.00 44.14 O ATOM 308 CB ASP A 17 1.442 1.818 9.424 1.00 33.24 C ATOM 309 CG ASP A 17 0.064 1.400 9.950 1.00 44.41 C ATOM 310 OD1 ASP A 17 -0.692 2.274 10.418 1.00 24.11 O ATOM 311 OD2 ASP A 17 -0.277 0.208 9.898 1.00 14.41 O ATOM 0 H ASP A 17 1.093 0.539 7.272 1.00 43.11 H new ATOM 0 HA ASP A 17 0.587 3.234 8.034 1.00 73.10 H new ATOM 0 HB2 ASP A 17 2.084 0.939 9.369 1.00 33.24 H new ATOM 0 HB3 ASP A 17 1.902 2.505 10.135 1.00 33.24 H new ATOM 316 N GLU A 18 3.680 2.487 7.140 1.00 34.44 N ATOM 317 CA GLU A 18 4.986 3.048 6.733 1.00 14.35 C ATOM 318 C GLU A 18 4.861 3.930 5.459 1.00 43.55 C ATOM 319 O GLU A 18 5.722 4.775 5.202 1.00 53.41 O ATOM 320 CB GLU A 18 6.001 1.899 6.513 1.00 41.43 C ATOM 321 CG GLU A 18 6.299 1.062 7.773 1.00 61.13 C ATOM 322 CD GLU A 18 7.207 -0.152 7.501 1.00 62.11 C ATOM 323 OE1 GLU A 18 8.450 0.003 7.530 1.00 73.42 O ATOM 324 OE2 GLU A 18 6.680 -1.266 7.266 1.00 25.10 O ATOM 0 H GLU A 18 3.572 1.497 6.918 1.00 34.44 H new ATOM 0 HA GLU A 18 5.346 3.694 7.534 1.00 14.35 H new ATOM 0 HB2 GLU A 18 5.620 1.238 5.734 1.00 41.43 H new ATOM 0 HB3 GLU A 18 6.935 2.322 6.143 1.00 41.43 H new ATOM 0 HG2 GLU A 18 6.772 1.700 8.520 1.00 61.13 H new ATOM 0 HG3 GLU A 18 5.358 0.714 8.200 1.00 61.13 H new ATOM 331 N VAL A 19 3.799 3.711 4.649 1.00 2.11 N ATOM 332 CA VAL A 19 3.488 4.588 3.494 1.00 42.31 C ATOM 333 C VAL A 19 2.855 5.923 3.978 1.00 23.02 C ATOM 334 O VAL A 19 3.242 6.994 3.512 1.00 1.21 O ATOM 335 CB VAL A 19 2.526 3.908 2.444 1.00 70.34 C ATOM 336 CG1 VAL A 19 2.331 4.818 1.218 1.00 60.12 C ATOM 337 CG2 VAL A 19 3.024 2.519 1.987 1.00 41.52 C ATOM 0 H VAL A 19 3.145 2.938 4.773 1.00 2.11 H new ATOM 0 HA VAL A 19 4.437 4.780 2.994 1.00 42.31 H new ATOM 0 HB VAL A 19 1.572 3.762 2.950 1.00 70.34 H new ATOM 0 HG11 VAL A 19 1.665 4.331 0.506 1.00 60.12 H new ATOM 0 HG12 VAL A 19 1.895 5.766 1.534 1.00 60.12 H new ATOM 0 HG13 VAL A 19 3.295 5.003 0.745 1.00 60.12 H new ATOM 0 HG21 VAL A 19 2.322 2.100 1.266 1.00 41.52 H new ATOM 0 HG22 VAL A 19 4.005 2.619 1.523 1.00 41.52 H new ATOM 0 HG23 VAL A 19 3.096 1.856 2.850 1.00 41.52 H new ATOM 347 N THR A 20 1.872 5.837 4.907 1.00 73.13 N ATOM 348 CA THR A 20 1.200 7.034 5.495 1.00 32.33 C ATOM 349 C THR A 20 2.218 7.912 6.264 1.00 54.12 C ATOM 350 O THR A 20 2.368 9.110 5.988 1.00 5.21 O ATOM 351 CB THR A 20 0.019 6.646 6.458 1.00 42.11 C ATOM 352 OG1 THR A 20 0.506 5.865 7.557 1.00 52.41 O ATOM 353 CG2 THR A 20 -1.084 5.850 5.745 1.00 74.11 C ATOM 0 H THR A 20 1.522 4.950 5.270 1.00 73.13 H new ATOM 0 HA THR A 20 0.784 7.596 4.659 1.00 32.33 H new ATOM 0 HB THR A 20 -0.409 7.583 6.814 1.00 42.11 H new ATOM 0 HG1 THR A 20 -0.240 5.632 8.149 1.00 52.41 H new ATOM 0 HG21 THR A 20 -1.875 5.608 6.455 1.00 74.11 H new ATOM 0 HG22 THR A 20 -1.497 6.448 4.932 1.00 74.11 H new ATOM 0 HG23 THR A 20 -0.664 4.929 5.341 1.00 74.11 H new ATOM 361 N ASP A 21 2.917 7.287 7.230 1.00 34.43 N ATOM 362 CA ASP A 21 4.014 7.922 7.975 1.00 3.52 C ATOM 363 C ASP A 21 5.332 7.740 7.177 1.00 72.12 C ATOM 364 O ASP A 21 6.178 6.892 7.490 1.00 10.35 O ATOM 365 CB ASP A 21 4.103 7.326 9.407 1.00 72.43 C ATOM 366 CG ASP A 21 4.927 8.200 10.367 1.00 25.35 C ATOM 367 OD1 ASP A 21 4.356 9.142 10.962 1.00 50.12 O ATOM 368 OD2 ASP A 21 6.145 7.979 10.518 1.00 51.33 O ATOM 0 H ASP A 21 2.734 6.325 7.515 1.00 34.43 H new ATOM 0 HA ASP A 21 3.830 8.990 8.089 1.00 3.52 H new ATOM 0 HB2 ASP A 21 3.097 7.204 9.808 1.00 72.43 H new ATOM 0 HB3 ASP A 21 4.548 6.332 9.355 1.00 72.43 H new ATOM 373 N GLY A 22 5.454 8.543 6.112 1.00 33.21 N ATOM 374 CA GLY A 22 6.541 8.430 5.120 1.00 53.54 C ATOM 375 C GLY A 22 6.171 9.106 3.794 1.00 42.44 C ATOM 376 O GLY A 22 7.040 9.385 2.959 1.00 14.53 O ATOM 0 H GLY A 22 4.798 9.297 5.909 1.00 33.21 H new ATOM 0 HA2 GLY A 22 7.447 8.885 5.520 1.00 53.54 H new ATOM 0 HA3 GLY A 22 6.764 7.378 4.942 1.00 53.54 H new ATOM 380 N ALA A 23 4.854 9.345 3.609 1.00 1.12 N ATOM 381 CA ALA A 23 4.287 10.100 2.468 1.00 24.12 C ATOM 382 C ALA A 23 4.802 11.570 2.397 1.00 61.41 C ATOM 383 O ALA A 23 5.222 12.127 3.416 1.00 53.01 O ATOM 384 CB ALA A 23 2.756 10.080 2.590 1.00 44.33 C ATOM 0 H ALA A 23 4.142 9.013 4.260 1.00 1.12 H new ATOM 0 HA ALA A 23 4.612 9.618 1.546 1.00 24.12 H new ATOM 0 HB1 ALA A 23 2.317 10.631 1.758 1.00 44.33 H new ATOM 0 HB2 ALA A 23 2.403 9.049 2.568 1.00 44.33 H new ATOM 0 HB3 ALA A 23 2.460 10.545 3.530 1.00 44.33 H new ATOM 390 N PRO A 24 4.766 12.233 1.197 1.00 73.25 N ATOM 391 CA PRO A 24 5.117 13.677 1.062 1.00 33.34 C ATOM 392 C PRO A 24 3.946 14.651 1.407 1.00 30.53 C ATOM 393 O PRO A 24 3.857 15.730 0.813 1.00 52.44 O ATOM 394 CB PRO A 24 5.504 13.769 -0.433 1.00 65.54 C ATOM 395 CG PRO A 24 4.596 12.784 -1.106 1.00 21.54 C ATOM 396 CD PRO A 24 4.444 11.628 -0.135 1.00 44.33 C ATOM 0 HA PRO A 24 5.899 13.980 1.759 1.00 33.34 H new ATOM 0 HB2 PRO A 24 5.357 14.777 -0.822 1.00 65.54 H new ATOM 0 HB3 PRO A 24 6.553 13.516 -0.590 1.00 65.54 H new ATOM 0 HG2 PRO A 24 3.629 13.235 -1.331 1.00 21.54 H new ATOM 0 HG3 PRO A 24 5.019 12.446 -2.052 1.00 21.54 H new ATOM 0 HD2 PRO A 24 3.434 11.220 -0.155 1.00 44.33 H new ATOM 0 HD3 PRO A 24 5.123 10.810 -0.377 1.00 44.33 H new ATOM 404 N ASP A 25 3.086 14.265 2.392 1.00 44.33 N ATOM 405 CA ASP A 25 1.927 15.066 2.905 1.00 32.22 C ATOM 406 C ASP A 25 0.724 15.135 1.921 1.00 13.42 C ATOM 407 O ASP A 25 -0.391 14.734 2.272 1.00 23.40 O ATOM 408 CB ASP A 25 2.352 16.500 3.344 1.00 74.11 C ATOM 409 CG ASP A 25 3.340 16.490 4.515 1.00 72.25 C ATOM 410 OD1 ASP A 25 4.552 16.297 4.288 1.00 20.41 O ATOM 411 OD2 ASP A 25 2.909 16.660 5.674 1.00 72.15 O ATOM 0 H ASP A 25 3.179 13.366 2.866 1.00 44.33 H new ATOM 0 HA ASP A 25 1.582 14.521 3.783 1.00 32.22 H new ATOM 0 HB2 ASP A 25 2.804 17.016 2.497 1.00 74.11 H new ATOM 0 HB3 ASP A 25 1.465 17.067 3.627 1.00 74.11 H new ATOM 416 N GLU A 26 0.974 15.647 0.701 1.00 13.44 N ATOM 417 CA GLU A 26 -0.059 15.916 -0.338 1.00 73.43 C ATOM 418 C GLU A 26 -0.954 14.684 -0.631 1.00 45.12 C ATOM 419 O GLU A 26 -2.189 14.765 -0.590 1.00 21.33 O ATOM 420 CB GLU A 26 0.636 16.389 -1.650 1.00 3.03 C ATOM 421 CG GLU A 26 1.660 17.538 -1.475 1.00 65.02 C ATOM 422 CD GLU A 26 1.066 18.812 -0.838 1.00 75.42 C ATOM 423 OE1 GLU A 26 0.444 19.615 -1.567 1.00 20.50 O ATOM 424 OE2 GLU A 26 1.217 19.014 0.390 1.00 54.23 O ATOM 0 H GLU A 26 1.916 15.893 0.396 1.00 13.44 H new ATOM 0 HA GLU A 26 -0.713 16.697 0.050 1.00 73.43 H new ATOM 0 HB2 GLU A 26 1.144 15.537 -2.101 1.00 3.03 H new ATOM 0 HB3 GLU A 26 -0.132 16.712 -2.353 1.00 3.03 H new ATOM 0 HG2 GLU A 26 2.485 17.185 -0.857 1.00 65.02 H new ATOM 0 HG3 GLU A 26 2.077 17.791 -2.450 1.00 65.02 H new ATOM 431 N ALA A 27 -0.309 13.542 -0.900 1.00 60.32 N ATOM 432 CA ALA A 27 -1.006 12.283 -1.230 1.00 61.12 C ATOM 433 C ALA A 27 -1.235 11.374 -0.002 1.00 23.04 C ATOM 434 O ALA A 27 -1.778 10.278 -0.163 1.00 3.30 O ATOM 435 CB ALA A 27 -0.212 11.534 -2.303 1.00 15.15 C ATOM 0 H ALA A 27 0.708 13.460 -0.896 1.00 60.32 H new ATOM 0 HA ALA A 27 -1.996 12.547 -1.603 1.00 61.12 H new ATOM 0 HB1 ALA A 27 -0.723 10.603 -2.550 1.00 15.15 H new ATOM 0 HB2 ALA A 27 -0.134 12.153 -3.196 1.00 15.15 H new ATOM 0 HB3 ALA A 27 0.787 11.311 -1.927 1.00 15.15 H new ATOM 441 N ARG A 28 -0.849 11.832 1.220 1.00 65.44 N ATOM 442 CA ARG A 28 -1.028 11.027 2.457 1.00 33.13 C ATOM 443 C ARG A 28 -2.519 10.694 2.688 1.00 72.01 C ATOM 444 O ARG A 28 -2.851 9.571 3.039 1.00 52.13 O ATOM 445 CB ARG A 28 -0.445 11.736 3.713 1.00 61.52 C ATOM 446 CG ARG A 28 -0.580 10.896 5.008 1.00 14.11 C ATOM 447 CD ARG A 28 -0.166 11.639 6.284 1.00 4.22 C ATOM 448 NE ARG A 28 -0.511 10.861 7.486 1.00 3.22 N ATOM 449 CZ ARG A 28 -0.069 11.084 8.700 1.00 60.15 C ATOM 450 NH1 ARG A 28 0.771 12.040 8.955 1.00 72.54 N ATOM 451 NH2 ARG A 28 -0.484 10.336 9.665 1.00 64.54 N ATOM 0 H ARG A 28 -0.417 12.743 1.373 1.00 65.44 H new ATOM 0 HA ARG A 28 -0.472 10.101 2.309 1.00 33.13 H new ATOM 0 HB2 ARG A 28 0.608 11.958 3.540 1.00 61.52 H new ATOM 0 HB3 ARG A 28 -0.954 12.690 3.852 1.00 61.52 H new ATOM 0 HG2 ARG A 28 -1.615 10.570 5.110 1.00 14.11 H new ATOM 0 HG3 ARG A 28 0.029 9.997 4.910 1.00 14.11 H new ATOM 0 HD2 ARG A 28 0.907 11.829 6.266 1.00 4.22 H new ATOM 0 HD3 ARG A 28 -0.661 12.609 6.320 1.00 4.22 H new ATOM 0 HE ARG A 28 -1.152 10.077 7.363 1.00 3.22 H new ATOM 0 HH11 ARG A 28 1.104 12.641 8.201 1.00 72.54 H new ATOM 0 HH12 ARG A 28 1.098 12.190 9.909 1.00 72.54 H new ATOM 0 HH21 ARG A 28 -1.147 9.584 9.478 1.00 64.54 H new ATOM 0 HH22 ARG A 28 -0.149 10.497 10.615 1.00 64.54 H new ATOM 465 N GLU A 29 -3.396 11.692 2.454 1.00 42.43 N ATOM 466 CA GLU A 29 -4.871 11.531 2.551 1.00 35.21 C ATOM 467 C GLU A 29 -5.408 10.389 1.642 1.00 22.33 C ATOM 468 O GLU A 29 -6.322 9.666 2.028 1.00 23.51 O ATOM 469 CB GLU A 29 -5.581 12.862 2.192 1.00 3.44 C ATOM 470 CG GLU A 29 -5.275 13.385 0.770 1.00 71.52 C ATOM 471 CD GLU A 29 -6.136 14.590 0.369 1.00 31.31 C ATOM 472 OE1 GLU A 29 -7.272 14.383 -0.110 1.00 61.22 O ATOM 473 OE2 GLU A 29 -5.685 15.742 0.531 1.00 22.23 O ATOM 0 H GLU A 29 -3.107 12.634 2.192 1.00 42.43 H new ATOM 0 HA GLU A 29 -5.092 11.259 3.583 1.00 35.21 H new ATOM 0 HB2 GLU A 29 -6.658 12.724 2.291 1.00 3.44 H new ATOM 0 HB3 GLU A 29 -5.289 13.622 2.916 1.00 3.44 H new ATOM 0 HG2 GLU A 29 -4.223 13.663 0.711 1.00 71.52 H new ATOM 0 HG3 GLU A 29 -5.432 12.580 0.052 1.00 71.52 H new ATOM 480 N ARG A 30 -4.816 10.252 0.435 1.00 54.41 N ATOM 481 CA ARG A 30 -5.180 9.200 -0.547 1.00 14.11 C ATOM 482 C ARG A 30 -4.764 7.810 -0.055 1.00 13.24 C ATOM 483 O ARG A 30 -5.479 6.821 -0.251 1.00 3.32 O ATOM 484 CB ARG A 30 -4.509 9.497 -1.917 1.00 25.24 C ATOM 485 CG ARG A 30 -4.995 10.798 -2.580 1.00 4.21 C ATOM 486 CD ARG A 30 -6.513 10.773 -2.809 1.00 42.01 C ATOM 487 NE ARG A 30 -7.014 12.008 -3.439 1.00 23.01 N ATOM 488 CZ ARG A 30 -8.190 12.135 -4.026 1.00 2.42 C ATOM 489 NH1 ARG A 30 -8.997 11.126 -4.141 1.00 23.30 N ATOM 490 NH2 ARG A 30 -8.550 13.279 -4.501 1.00 53.12 N ATOM 0 H ARG A 30 -4.070 10.868 0.111 1.00 54.41 H new ATOM 0 HA ARG A 30 -6.264 9.209 -0.663 1.00 14.11 H new ATOM 0 HB2 ARG A 30 -3.429 9.553 -1.777 1.00 25.24 H new ATOM 0 HB3 ARG A 30 -4.700 8.663 -2.592 1.00 25.24 H new ATOM 0 HG2 ARG A 30 -4.734 11.649 -1.951 1.00 4.21 H new ATOM 0 HG3 ARG A 30 -4.483 10.937 -3.532 1.00 4.21 H new ATOM 0 HD2 ARG A 30 -6.767 9.920 -3.438 1.00 42.01 H new ATOM 0 HD3 ARG A 30 -7.018 10.626 -1.854 1.00 42.01 H new ATOM 0 HE ARG A 30 -6.406 12.827 -3.420 1.00 23.01 H new ATOM 0 HH11 ARG A 30 -8.728 10.213 -3.774 1.00 23.30 H new ATOM 0 HH12 ARG A 30 -9.901 11.246 -4.598 1.00 23.30 H new ATOM 0 HH21 ARG A 30 -7.927 14.083 -4.423 1.00 53.12 H new ATOM 0 HH22 ARG A 30 -9.458 13.380 -4.955 1.00 53.12 H new ATOM 504 N ILE A 31 -3.596 7.773 0.586 1.00 72.33 N ATOM 505 CA ILE A 31 -3.012 6.547 1.136 1.00 51.34 C ATOM 506 C ILE A 31 -3.834 6.038 2.344 1.00 13.23 C ATOM 507 O ILE A 31 -4.140 4.852 2.436 1.00 53.21 O ATOM 508 CB ILE A 31 -1.518 6.804 1.561 1.00 11.32 C ATOM 509 CG1 ILE A 31 -0.677 7.274 0.328 1.00 1.03 C ATOM 510 CG2 ILE A 31 -0.905 5.545 2.218 1.00 44.02 C ATOM 511 CD1 ILE A 31 0.662 7.913 0.651 1.00 44.24 C ATOM 0 H ILE A 31 -3.022 8.602 0.740 1.00 72.33 H new ATOM 0 HA ILE A 31 -3.034 5.779 0.363 1.00 51.34 H new ATOM 0 HB ILE A 31 -1.500 7.600 2.306 1.00 11.32 H new ATOM 0 HG12 ILE A 31 -0.502 6.414 -0.319 1.00 1.03 H new ATOM 0 HG13 ILE A 31 -1.271 7.987 -0.244 1.00 1.03 H new ATOM 0 HG21 ILE A 31 0.127 5.749 2.502 1.00 44.02 H new ATOM 0 HG22 ILE A 31 -1.480 5.281 3.105 1.00 44.02 H new ATOM 0 HG23 ILE A 31 -0.929 4.717 1.510 1.00 44.02 H new ATOM 0 HD11 ILE A 31 1.160 8.201 -0.275 1.00 44.24 H new ATOM 0 HD12 ILE A 31 0.504 8.797 1.268 1.00 44.24 H new ATOM 0 HD13 ILE A 31 1.284 7.200 1.192 1.00 44.24 H new ATOM 523 N GLU A 32 -4.183 6.969 3.255 1.00 62.50 N ATOM 524 CA GLU A 32 -4.988 6.684 4.463 1.00 43.20 C ATOM 525 C GLU A 32 -6.411 6.232 4.077 1.00 25.14 C ATOM 526 O GLU A 32 -6.941 5.277 4.647 1.00 33.50 O ATOM 527 CB GLU A 32 -5.039 7.944 5.377 1.00 13.21 C ATOM 528 CG GLU A 32 -3.657 8.392 5.910 1.00 60.05 C ATOM 529 CD GLU A 32 -3.688 9.713 6.698 1.00 35.12 C ATOM 530 OE1 GLU A 32 -3.996 10.764 6.092 1.00 71.52 O ATOM 531 OE2 GLU A 32 -3.367 9.715 7.910 1.00 63.24 O ATOM 0 H GLU A 32 -3.912 7.949 3.173 1.00 62.50 H new ATOM 0 HA GLU A 32 -4.516 5.871 5.014 1.00 43.20 H new ATOM 0 HB2 GLU A 32 -5.486 8.767 4.819 1.00 13.21 H new ATOM 0 HB3 GLU A 32 -5.695 7.740 6.224 1.00 13.21 H new ATOM 0 HG2 GLU A 32 -3.255 7.608 6.551 1.00 60.05 H new ATOM 0 HG3 GLU A 32 -2.972 8.499 5.069 1.00 60.05 H new ATOM 538 N LYS A 33 -6.997 6.922 3.079 1.00 13.21 N ATOM 539 CA LYS A 33 -8.335 6.606 2.543 1.00 33.24 C ATOM 540 C LYS A 33 -8.385 5.184 1.935 1.00 13.01 C ATOM 541 O LYS A 33 -9.219 4.365 2.334 1.00 10.21 O ATOM 542 CB LYS A 33 -8.742 7.664 1.479 1.00 2.11 C ATOM 543 CG LYS A 33 -10.089 7.397 0.768 1.00 22.10 C ATOM 544 CD LYS A 33 -11.289 7.335 1.744 1.00 73.33 C ATOM 545 CE LYS A 33 -12.609 7.012 1.025 1.00 73.21 C ATOM 546 NZ LYS A 33 -12.958 8.034 0.004 1.00 73.52 N ATOM 0 H LYS A 33 -6.553 7.718 2.620 1.00 13.21 H new ATOM 0 HA LYS A 33 -9.045 6.634 3.370 1.00 33.24 H new ATOM 0 HB2 LYS A 33 -8.791 8.640 1.961 1.00 2.11 H new ATOM 0 HB3 LYS A 33 -7.956 7.719 0.726 1.00 2.11 H new ATOM 0 HG2 LYS A 33 -10.267 8.182 0.033 1.00 22.10 H new ATOM 0 HG3 LYS A 33 -10.024 6.456 0.221 1.00 22.10 H new ATOM 0 HD2 LYS A 33 -11.097 6.578 2.505 1.00 73.33 H new ATOM 0 HD3 LYS A 33 -11.384 8.290 2.261 1.00 73.33 H new ATOM 0 HE2 LYS A 33 -12.531 6.036 0.547 1.00 73.21 H new ATOM 0 HE3 LYS A 33 -13.413 6.944 1.758 1.00 73.21 H new ATOM 0 HZ1 LYS A 33 -13.902 7.831 -0.382 1.00 73.52 H new ATOM 0 HZ2 LYS A 33 -12.959 8.977 0.443 1.00 73.52 H new ATOM 0 HZ3 LYS A 33 -12.257 8.011 -0.764 1.00 73.52 H new ATOM 560 N LEU A 34 -7.474 4.904 0.987 1.00 5.21 N ATOM 561 CA LEU A 34 -7.423 3.597 0.292 1.00 73.11 C ATOM 562 C LEU A 34 -7.084 2.453 1.277 1.00 35.40 C ATOM 563 O LEU A 34 -7.611 1.351 1.145 1.00 53.53 O ATOM 564 CB LEU A 34 -6.415 3.641 -0.887 1.00 73.22 C ATOM 565 CG LEU A 34 -6.426 2.405 -1.857 1.00 43.12 C ATOM 566 CD1 LEU A 34 -7.841 2.119 -2.418 1.00 42.34 C ATOM 567 CD2 LEU A 34 -5.417 2.603 -3.011 1.00 34.42 C ATOM 0 H LEU A 34 -6.759 5.564 0.681 1.00 5.21 H new ATOM 0 HA LEU A 34 -8.412 3.394 -0.118 1.00 73.11 H new ATOM 0 HB2 LEU A 34 -6.613 4.538 -1.473 1.00 73.22 H new ATOM 0 HB3 LEU A 34 -5.411 3.744 -0.475 1.00 73.22 H new ATOM 0 HG LEU A 34 -6.124 1.536 -1.272 1.00 43.12 H new ATOM 0 HD11 LEU A 34 -7.801 1.257 -3.083 1.00 42.34 H new ATOM 0 HD12 LEU A 34 -8.524 1.910 -1.594 1.00 42.34 H new ATOM 0 HD13 LEU A 34 -8.195 2.988 -2.972 1.00 42.34 H new ATOM 0 HD21 LEU A 34 -5.442 1.735 -3.669 1.00 34.42 H new ATOM 0 HD22 LEU A 34 -5.682 3.496 -3.577 1.00 34.42 H new ATOM 0 HD23 LEU A 34 -4.414 2.718 -2.601 1.00 34.42 H new ATOM 579 N ALA A 35 -6.221 2.749 2.279 1.00 70.44 N ATOM 580 CA ALA A 35 -5.880 1.805 3.374 1.00 5.40 C ATOM 581 C ALA A 35 -7.126 1.405 4.203 1.00 52.41 C ATOM 582 O ALA A 35 -7.238 0.257 4.624 1.00 51.41 O ATOM 583 CB ALA A 35 -4.802 2.400 4.297 1.00 52.12 C ATOM 0 H ALA A 35 -5.742 3.647 2.352 1.00 70.44 H new ATOM 0 HA ALA A 35 -5.487 0.903 2.905 1.00 5.40 H new ATOM 0 HB1 ALA A 35 -4.570 1.690 5.090 1.00 52.12 H new ATOM 0 HB2 ALA A 35 -3.901 2.605 3.719 1.00 52.12 H new ATOM 0 HB3 ALA A 35 -5.170 3.327 4.736 1.00 52.12 H new ATOM 589 N LYS A 36 -8.046 2.369 4.426 1.00 30.22 N ATOM 590 CA LYS A 36 -9.349 2.126 5.109 1.00 43.13 C ATOM 591 C LYS A 36 -10.248 1.153 4.303 1.00 15.12 C ATOM 592 O LYS A 36 -10.905 0.275 4.879 1.00 63.53 O ATOM 593 CB LYS A 36 -10.099 3.464 5.319 1.00 12.25 C ATOM 594 CG LYS A 36 -9.476 4.417 6.364 1.00 0.13 C ATOM 595 CD LYS A 36 -10.027 5.865 6.262 1.00 4.30 C ATOM 596 CE LYS A 36 -11.566 5.945 6.303 1.00 52.23 C ATOM 597 NZ LYS A 36 -12.125 5.442 7.584 1.00 3.14 N ATOM 0 H LYS A 36 -7.912 3.339 4.140 1.00 30.22 H new ATOM 0 HA LYS A 36 -9.131 1.668 6.074 1.00 43.13 H new ATOM 0 HB2 LYS A 36 -10.152 3.985 4.363 1.00 12.25 H new ATOM 0 HB3 LYS A 36 -11.123 3.243 5.619 1.00 12.25 H new ATOM 0 HG2 LYS A 36 -9.670 4.029 7.364 1.00 0.13 H new ATOM 0 HG3 LYS A 36 -8.394 4.435 6.233 1.00 0.13 H new ATOM 0 HD2 LYS A 36 -9.619 6.458 7.080 1.00 4.30 H new ATOM 0 HD3 LYS A 36 -9.673 6.315 5.334 1.00 4.30 H new ATOM 0 HE2 LYS A 36 -11.877 6.979 6.155 1.00 52.23 H new ATOM 0 HE3 LYS A 36 -11.979 5.366 5.477 1.00 52.23 H new ATOM 0 HZ1 LYS A 36 -13.162 5.516 7.563 1.00 3.14 H new ATOM 0 HZ2 LYS A 36 -11.852 4.447 7.715 1.00 3.14 H new ATOM 0 HZ3 LYS A 36 -11.753 6.010 8.372 1.00 3.14 H new ATOM 611 N ASP A 37 -10.288 1.344 2.968 1.00 14.32 N ATOM 612 CA ASP A 37 -11.008 0.429 2.046 1.00 43.20 C ATOM 613 C ASP A 37 -10.373 -0.984 2.058 1.00 64.12 C ATOM 614 O ASP A 37 -11.077 -1.993 1.937 1.00 44.11 O ATOM 615 CB ASP A 37 -11.032 1.009 0.607 1.00 13.44 C ATOM 616 CG ASP A 37 -11.845 2.307 0.516 1.00 63.35 C ATOM 617 OD1 ASP A 37 -13.093 2.233 0.452 1.00 13.44 O ATOM 618 OD2 ASP A 37 -11.251 3.403 0.535 1.00 51.43 O ATOM 0 H ASP A 37 -9.830 2.125 2.499 1.00 14.32 H new ATOM 0 HA ASP A 37 -12.036 0.338 2.396 1.00 43.20 H new ATOM 0 HB2 ASP A 37 -10.011 1.199 0.277 1.00 13.44 H new ATOM 0 HB3 ASP A 37 -11.455 0.270 -0.073 1.00 13.44 H new ATOM 623 N VAL A 38 -9.026 -1.034 2.203 1.00 43.42 N ATOM 624 CA VAL A 38 -8.284 -2.304 2.377 1.00 70.22 C ATOM 625 C VAL A 38 -8.724 -3.012 3.686 1.00 23.35 C ATOM 626 O VAL A 38 -8.973 -4.204 3.661 1.00 44.45 O ATOM 627 CB VAL A 38 -6.710 -2.095 2.364 1.00 51.05 C ATOM 628 CG1 VAL A 38 -5.938 -3.412 2.639 1.00 63.24 C ATOM 629 CG2 VAL A 38 -6.232 -1.472 1.029 1.00 11.32 C ATOM 0 H VAL A 38 -8.431 -0.206 2.203 1.00 43.42 H new ATOM 0 HA VAL A 38 -8.530 -2.937 1.524 1.00 70.22 H new ATOM 0 HB VAL A 38 -6.488 -1.401 3.175 1.00 51.05 H new ATOM 0 HG11 VAL A 38 -4.866 -3.216 2.620 1.00 63.24 H new ATOM 0 HG12 VAL A 38 -6.218 -3.800 3.618 1.00 63.24 H new ATOM 0 HG13 VAL A 38 -6.187 -4.146 1.873 1.00 63.24 H new ATOM 0 HG21 VAL A 38 -5.150 -1.343 1.055 1.00 11.32 H new ATOM 0 HG22 VAL A 38 -6.499 -2.132 0.203 1.00 11.32 H new ATOM 0 HG23 VAL A 38 -6.710 -0.503 0.888 1.00 11.32 H new ATOM 639 N LYS A 39 -8.859 -2.241 4.802 1.00 52.00 N ATOM 640 CA LYS A 39 -9.293 -2.772 6.138 1.00 63.24 C ATOM 641 C LYS A 39 -10.633 -3.547 6.039 1.00 15.44 C ATOM 642 O LYS A 39 -10.789 -4.620 6.636 1.00 62.23 O ATOM 643 CB LYS A 39 -9.467 -1.616 7.176 1.00 54.13 C ATOM 644 CG LYS A 39 -8.220 -0.753 7.449 1.00 13.33 C ATOM 645 CD LYS A 39 -7.048 -1.544 8.069 1.00 70.42 C ATOM 646 CE LYS A 39 -5.837 -0.643 8.372 1.00 32.41 C ATOM 647 NZ LYS A 39 -4.759 -1.374 9.082 1.00 3.11 N ATOM 0 H LYS A 39 -8.672 -1.238 4.807 1.00 52.00 H new ATOM 0 HA LYS A 39 -8.508 -3.451 6.469 1.00 63.24 H new ATOM 0 HB2 LYS A 39 -10.267 -0.962 6.829 1.00 54.13 H new ATOM 0 HB3 LYS A 39 -9.797 -2.050 8.120 1.00 54.13 H new ATOM 0 HG2 LYS A 39 -7.889 -0.301 6.514 1.00 13.33 H new ATOM 0 HG3 LYS A 39 -8.492 0.063 8.119 1.00 13.33 H new ATOM 0 HD2 LYS A 39 -7.382 -2.024 8.989 1.00 70.42 H new ATOM 0 HD3 LYS A 39 -6.746 -2.339 7.387 1.00 70.42 H new ATOM 0 HE2 LYS A 39 -5.445 -0.238 7.439 1.00 32.41 H new ATOM 0 HE3 LYS A 39 -6.159 0.204 8.977 1.00 32.41 H new ATOM 0 HZ1 LYS A 39 -4.581 -0.923 10.002 1.00 3.11 H new ATOM 0 HZ2 LYS A 39 -5.049 -2.362 9.231 1.00 3.11 H new ATOM 0 HZ3 LYS A 39 -3.890 -1.351 8.511 1.00 3.11 H new ATOM 661 N ASP A 40 -11.587 -2.966 5.282 1.00 15.53 N ATOM 662 CA ASP A 40 -12.929 -3.554 5.056 1.00 42.00 C ATOM 663 C ASP A 40 -12.817 -4.936 4.353 1.00 11.11 C ATOM 664 O ASP A 40 -13.462 -5.912 4.753 1.00 12.13 O ATOM 665 CB ASP A 40 -13.785 -2.563 4.213 1.00 32.25 C ATOM 666 CG ASP A 40 -15.291 -2.910 4.179 1.00 31.35 C ATOM 667 OD1 ASP A 40 -16.044 -2.431 5.062 1.00 43.30 O ATOM 668 OD2 ASP A 40 -15.734 -3.655 3.280 1.00 31.33 O ATOM 0 H ASP A 40 -11.450 -2.073 4.808 1.00 15.53 H new ATOM 0 HA ASP A 40 -13.417 -3.718 6.017 1.00 42.00 H new ATOM 0 HB2 ASP A 40 -13.663 -1.558 4.617 1.00 32.25 H new ATOM 0 HB3 ASP A 40 -13.403 -2.545 3.192 1.00 32.25 H new ATOM 673 N GLU A 41 -11.960 -4.993 3.319 1.00 2.11 N ATOM 674 CA GLU A 41 -11.719 -6.210 2.508 1.00 74.44 C ATOM 675 C GLU A 41 -10.845 -7.262 3.245 1.00 22.11 C ATOM 676 O GLU A 41 -10.931 -8.459 2.953 1.00 43.11 O ATOM 677 CB GLU A 41 -11.087 -5.802 1.158 1.00 0.03 C ATOM 678 CG GLU A 41 -11.968 -4.864 0.299 1.00 63.00 C ATOM 679 CD GLU A 41 -13.269 -5.520 -0.195 1.00 24.32 C ATOM 680 OE1 GLU A 41 -13.216 -6.294 -1.178 1.00 33.24 O ATOM 681 OE2 GLU A 41 -14.345 -5.266 0.387 1.00 61.30 O ATOM 0 H GLU A 41 -11.408 -4.191 3.016 1.00 2.11 H new ATOM 0 HA GLU A 41 -12.680 -6.694 2.332 1.00 74.44 H new ATOM 0 HB2 GLU A 41 -10.134 -5.310 1.351 1.00 0.03 H new ATOM 0 HB3 GLU A 41 -10.870 -6.703 0.585 1.00 0.03 H new ATOM 0 HG2 GLU A 41 -12.217 -3.978 0.883 1.00 63.00 H new ATOM 0 HG3 GLU A 41 -11.392 -4.526 -0.562 1.00 63.00 H new ATOM 688 N LEU A 42 -9.995 -6.800 4.182 1.00 33.33 N ATOM 689 CA LEU A 42 -9.194 -7.691 5.065 1.00 63.31 C ATOM 690 C LEU A 42 -10.099 -8.531 6.001 1.00 32.42 C ATOM 691 O LEU A 42 -9.691 -9.603 6.463 1.00 24.25 O ATOM 692 CB LEU A 42 -8.172 -6.875 5.908 1.00 40.21 C ATOM 693 CG LEU A 42 -7.012 -6.191 5.116 1.00 32.22 C ATOM 694 CD1 LEU A 42 -6.165 -5.285 6.030 1.00 43.25 C ATOM 695 CD2 LEU A 42 -6.125 -7.227 4.387 1.00 73.43 C ATOM 0 H LEU A 42 -9.840 -5.807 4.353 1.00 33.33 H new ATOM 0 HA LEU A 42 -8.647 -8.374 4.415 1.00 63.31 H new ATOM 0 HB2 LEU A 42 -8.716 -6.103 6.452 1.00 40.21 H new ATOM 0 HB3 LEU A 42 -7.733 -7.540 6.652 1.00 40.21 H new ATOM 0 HG LEU A 42 -7.473 -5.562 4.355 1.00 32.22 H new ATOM 0 HD11 LEU A 42 -5.367 -4.825 5.447 1.00 43.25 H new ATOM 0 HD12 LEU A 42 -6.797 -4.507 6.458 1.00 43.25 H new ATOM 0 HD13 LEU A 42 -5.731 -5.882 6.832 1.00 43.25 H new ATOM 0 HD21 LEU A 42 -5.330 -6.711 3.848 1.00 73.43 H new ATOM 0 HD22 LEU A 42 -5.686 -7.908 5.117 1.00 73.43 H new ATOM 0 HD23 LEU A 42 -6.733 -7.794 3.682 1.00 73.43 H new ATOM 707 N GLU A 43 -11.324 -8.028 6.279 1.00 75.45 N ATOM 708 CA GLU A 43 -12.333 -8.774 7.058 1.00 30.32 C ATOM 709 C GLU A 43 -12.846 -10.003 6.252 1.00 22.11 C ATOM 710 O GLU A 43 -12.413 -11.131 6.512 1.00 25.44 O ATOM 711 CB GLU A 43 -13.502 -7.840 7.491 1.00 1.24 C ATOM 712 CG GLU A 43 -14.567 -8.516 8.395 1.00 13.45 C ATOM 713 CD GLU A 43 -15.690 -7.561 8.839 1.00 42.52 C ATOM 714 OE1 GLU A 43 -15.516 -6.852 9.851 1.00 14.52 O ATOM 715 OE2 GLU A 43 -16.749 -7.510 8.178 1.00 13.20 O ATOM 0 H GLU A 43 -11.636 -7.106 5.973 1.00 75.45 H new ATOM 0 HA GLU A 43 -11.863 -9.148 7.967 1.00 30.32 H new ATOM 0 HB2 GLU A 43 -13.087 -6.982 8.020 1.00 1.24 H new ATOM 0 HB3 GLU A 43 -13.994 -7.456 6.597 1.00 1.24 H new ATOM 0 HG2 GLU A 43 -15.007 -9.357 7.859 1.00 13.45 H new ATOM 0 HG3 GLU A 43 -14.076 -8.923 9.279 1.00 13.45 H new ATOM 756 N ALA A 47 -8.974 -9.026 -0.578 1.00 31.00 N ATOM 757 CA ALA A 47 -7.870 -8.173 -0.097 1.00 52.32 C ATOM 758 C ALA A 47 -6.728 -8.041 -1.128 1.00 44.13 C ATOM 759 O ALA A 47 -6.087 -6.998 -1.180 1.00 12.53 O ATOM 760 CB ALA A 47 -7.332 -8.721 1.232 1.00 63.52 C ATOM 0 HA ALA A 47 -8.273 -7.172 0.054 1.00 52.32 H new ATOM 0 HB1 ALA A 47 -6.517 -8.088 1.583 1.00 63.52 H new ATOM 0 HB2 ALA A 47 -8.131 -8.728 1.973 1.00 63.52 H new ATOM 0 HB3 ALA A 47 -6.965 -9.737 1.085 1.00 63.52 H new ATOM 766 N LYS A 48 -6.475 -9.092 -1.941 1.00 32.13 N ATOM 767 CA LYS A 48 -5.379 -9.066 -2.950 1.00 53.34 C ATOM 768 C LYS A 48 -5.685 -8.078 -4.098 1.00 75.22 C ATOM 769 O LYS A 48 -4.775 -7.424 -4.620 1.00 41.31 O ATOM 770 CB LYS A 48 -5.055 -10.471 -3.519 1.00 40.35 C ATOM 771 CG LYS A 48 -3.899 -10.455 -4.553 1.00 24.22 C ATOM 772 CD LYS A 48 -3.459 -11.849 -5.038 1.00 13.15 C ATOM 773 CE LYS A 48 -2.323 -11.753 -6.079 1.00 42.20 C ATOM 774 NZ LYS A 48 -1.729 -13.079 -6.390 1.00 32.21 N ATOM 0 H LYS A 48 -7.006 -9.963 -1.923 1.00 32.13 H new ATOM 0 HA LYS A 48 -4.492 -8.718 -2.420 1.00 53.34 H new ATOM 0 HB2 LYS A 48 -4.791 -11.137 -2.698 1.00 40.35 H new ATOM 0 HB3 LYS A 48 -5.949 -10.882 -3.988 1.00 40.35 H new ATOM 0 HG2 LYS A 48 -4.208 -9.864 -5.416 1.00 24.22 H new ATOM 0 HG3 LYS A 48 -3.040 -9.950 -4.112 1.00 24.22 H new ATOM 0 HD2 LYS A 48 -3.125 -12.443 -4.187 1.00 13.15 H new ATOM 0 HD3 LYS A 48 -4.311 -12.369 -5.475 1.00 13.15 H new ATOM 0 HE2 LYS A 48 -2.710 -11.307 -6.995 1.00 42.20 H new ATOM 0 HE3 LYS A 48 -1.545 -11.088 -5.704 1.00 42.20 H new ATOM 0 HZ1 LYS A 48 -0.994 -12.968 -7.118 1.00 32.21 H new ATOM 0 HZ2 LYS A 48 -1.306 -13.480 -5.529 1.00 32.21 H new ATOM 0 HZ3 LYS A 48 -2.471 -13.718 -6.741 1.00 32.21 H new ATOM 788 N ASN A 49 -6.975 -7.965 -4.472 1.00 54.25 N ATOM 789 CA ASN A 49 -7.447 -6.935 -5.429 1.00 31.12 C ATOM 790 C ASN A 49 -7.146 -5.508 -4.897 1.00 55.35 C ATOM 791 O ASN A 49 -6.897 -4.579 -5.667 1.00 40.11 O ATOM 792 CB ASN A 49 -8.964 -7.092 -5.698 1.00 40.13 C ATOM 793 CG ASN A 49 -9.497 -6.174 -6.810 1.00 44.13 C ATOM 794 OD1 ASN A 49 -10.620 -5.687 -6.744 1.00 23.31 O ATOM 795 ND2 ASN A 49 -8.728 -5.974 -7.871 1.00 43.42 N ATOM 0 H ASN A 49 -7.715 -8.576 -4.126 1.00 54.25 H new ATOM 0 HA ASN A 49 -6.909 -7.077 -6.366 1.00 31.12 H new ATOM 0 HB2 ASN A 49 -9.170 -8.128 -5.966 1.00 40.13 H new ATOM 0 HB3 ASN A 49 -9.510 -6.886 -4.777 1.00 40.13 H new ATOM 0 HD21 ASN A 49 -9.068 -5.408 -8.648 1.00 43.42 H new ATOM 0 HD22 ASN A 49 -7.796 -6.386 -7.910 1.00 43.42 H new ATOM 802 N MET A 50 -7.167 -5.373 -3.565 1.00 1.52 N ATOM 803 CA MET A 50 -6.832 -4.117 -2.870 1.00 45.04 C ATOM 804 C MET A 50 -5.311 -3.884 -2.797 1.00 74.41 C ATOM 805 O MET A 50 -4.883 -2.744 -2.760 1.00 55.41 O ATOM 806 CB MET A 50 -7.429 -4.137 -1.451 1.00 64.42 C ATOM 807 CG MET A 50 -8.936 -4.334 -1.441 1.00 43.25 C ATOM 808 SD MET A 50 -9.817 -3.031 -2.330 1.00 1.12 S ATOM 809 CE MET A 50 -9.346 -1.600 -1.371 1.00 74.43 C ATOM 0 H MET A 50 -7.418 -6.134 -2.933 1.00 1.52 H new ATOM 0 HA MET A 50 -7.261 -3.295 -3.443 1.00 45.04 H new ATOM 0 HB2 MET A 50 -6.960 -4.937 -0.877 1.00 64.42 H new ATOM 0 HB3 MET A 50 -7.188 -3.200 -0.948 1.00 64.42 H new ATOM 0 HG2 MET A 50 -9.175 -5.299 -1.889 1.00 43.25 H new ATOM 0 HG3 MET A 50 -9.287 -4.365 -0.410 1.00 43.25 H new ATOM 0 HE1 MET A 50 -10.076 -0.805 -1.521 1.00 74.43 H new ATOM 0 HE2 MET A 50 -9.311 -1.866 -0.314 1.00 74.43 H new ATOM 0 HE3 MET A 50 -8.363 -1.255 -1.691 1.00 74.43 H new ATOM 819 N ILE A 51 -4.513 -4.972 -2.757 1.00 42.15 N ATOM 820 CA ILE A 51 -3.031 -4.881 -2.712 1.00 0.32 C ATOM 821 C ILE A 51 -2.472 -4.402 -4.072 1.00 71.13 C ATOM 822 O ILE A 51 -1.648 -3.485 -4.119 1.00 32.40 O ATOM 823 CB ILE A 51 -2.357 -6.258 -2.345 1.00 63.00 C ATOM 824 CG1 ILE A 51 -2.919 -6.829 -1.009 1.00 61.10 C ATOM 825 CG2 ILE A 51 -0.818 -6.114 -2.265 1.00 75.22 C ATOM 826 CD1 ILE A 51 -2.406 -8.212 -0.644 1.00 52.04 C ATOM 0 H ILE A 51 -4.868 -5.928 -2.755 1.00 42.15 H new ATOM 0 HA ILE A 51 -2.790 -4.160 -1.931 1.00 0.32 H new ATOM 0 HB ILE A 51 -2.599 -6.963 -3.140 1.00 63.00 H new ATOM 0 HG12 ILE A 51 -2.671 -6.140 -0.202 1.00 61.10 H new ATOM 0 HG13 ILE A 51 -4.006 -6.865 -1.074 1.00 61.10 H new ATOM 0 HG21 ILE A 51 -0.375 -7.077 -2.010 1.00 75.22 H new ATOM 0 HG22 ILE A 51 -0.433 -5.781 -3.229 1.00 75.22 H new ATOM 0 HG23 ILE A 51 -0.560 -5.382 -1.499 1.00 75.22 H new ATOM 0 HD11 ILE A 51 -2.851 -8.528 0.300 1.00 52.04 H new ATOM 0 HD12 ILE A 51 -2.678 -8.919 -1.428 1.00 52.04 H new ATOM 0 HD13 ILE A 51 -1.321 -8.182 -0.542 1.00 52.04 H new ATOM 838 N GLU A 52 -2.921 -5.056 -5.167 1.00 10.34 N ATOM 839 CA GLU A 52 -2.518 -4.695 -6.548 1.00 3.22 C ATOM 840 C GLU A 52 -2.958 -3.257 -6.900 1.00 3.01 C ATOM 841 O GLU A 52 -2.217 -2.525 -7.549 1.00 1.52 O ATOM 842 CB GLU A 52 -3.086 -5.704 -7.597 1.00 22.23 C ATOM 843 CG GLU A 52 -4.618 -5.845 -7.582 1.00 22.32 C ATOM 844 CD GLU A 52 -5.215 -6.515 -8.830 1.00 23.11 C ATOM 845 OE1 GLU A 52 -4.969 -6.018 -9.948 1.00 34.53 O ATOM 846 OE2 GLU A 52 -5.989 -7.490 -8.695 1.00 34.54 O ATOM 0 H GLU A 52 -3.568 -5.843 -5.121 1.00 10.34 H new ATOM 0 HA GLU A 52 -1.430 -4.745 -6.586 1.00 3.22 H new ATOM 0 HB2 GLU A 52 -2.773 -5.389 -8.592 1.00 22.23 H new ATOM 0 HB3 GLU A 52 -2.642 -6.683 -7.418 1.00 22.23 H new ATOM 0 HG2 GLU A 52 -4.907 -6.422 -6.704 1.00 22.32 H new ATOM 0 HG3 GLU A 52 -5.059 -4.854 -7.472 1.00 22.32 H new ATOM 853 N LYS A 53 -4.173 -2.869 -6.447 1.00 45.54 N ATOM 854 CA LYS A 53 -4.718 -1.503 -6.668 1.00 54.44 C ATOM 855 C LYS A 53 -4.114 -0.451 -5.722 1.00 2.33 C ATOM 856 O LYS A 53 -4.072 0.737 -6.067 1.00 0.53 O ATOM 857 CB LYS A 53 -6.273 -1.495 -6.603 1.00 14.14 C ATOM 858 CG LYS A 53 -6.948 -2.047 -7.883 1.00 70.31 C ATOM 859 CD LYS A 53 -6.514 -1.250 -9.139 1.00 24.24 C ATOM 860 CE LYS A 53 -7.174 -1.737 -10.433 1.00 4.13 C ATOM 861 NZ LYS A 53 -6.620 -1.023 -11.609 1.00 2.05 N ATOM 0 H LYS A 53 -4.798 -3.483 -5.924 1.00 45.54 H new ATOM 0 HA LYS A 53 -4.418 -1.216 -7.676 1.00 54.44 H new ATOM 0 HB2 LYS A 53 -6.596 -2.088 -5.747 1.00 14.14 H new ATOM 0 HB3 LYS A 53 -6.616 -0.475 -6.432 1.00 14.14 H new ATOM 0 HG2 LYS A 53 -6.688 -3.098 -8.009 1.00 70.31 H new ATOM 0 HG3 LYS A 53 -8.032 -1.998 -7.775 1.00 70.31 H new ATOM 0 HD2 LYS A 53 -6.755 -0.197 -8.992 1.00 24.24 H new ATOM 0 HD3 LYS A 53 -5.431 -1.317 -9.246 1.00 24.24 H new ATOM 0 HE2 LYS A 53 -7.016 -2.810 -10.546 1.00 4.13 H new ATOM 0 HE3 LYS A 53 -8.251 -1.577 -10.379 1.00 4.13 H new ATOM 0 HZ1 LYS A 53 -7.082 -1.369 -12.474 1.00 2.05 H new ATOM 0 HZ2 LYS A 53 -6.793 -0.002 -11.509 1.00 2.05 H new ATOM 0 HZ3 LYS A 53 -5.596 -1.196 -11.670 1.00 2.05 H new ATOM 875 N PHE A 54 -3.656 -0.879 -4.537 1.00 22.45 N ATOM 876 CA PHE A 54 -2.899 0.003 -3.628 1.00 42.32 C ATOM 877 C PHE A 54 -1.509 0.286 -4.232 1.00 13.32 C ATOM 878 O PHE A 54 -1.029 1.407 -4.191 1.00 12.45 O ATOM 879 CB PHE A 54 -2.770 -0.601 -2.200 1.00 22.02 C ATOM 880 CG PHE A 54 -2.156 0.372 -1.187 1.00 43.14 C ATOM 881 CD1 PHE A 54 -2.915 1.412 -0.647 1.00 63.42 C ATOM 882 CD2 PHE A 54 -0.811 0.295 -0.836 1.00 43.32 C ATOM 883 CE1 PHE A 54 -2.356 2.328 0.219 1.00 75.14 C ATOM 884 CE2 PHE A 54 -0.250 1.219 0.017 1.00 13.13 C ATOM 885 CZ PHE A 54 -1.017 2.236 0.542 1.00 3.02 C ATOM 0 H PHE A 54 -3.794 -1.826 -4.184 1.00 22.45 H new ATOM 0 HA PHE A 54 -3.449 0.938 -3.523 1.00 42.32 H new ATOM 0 HB2 PHE A 54 -3.757 -0.905 -1.850 1.00 22.02 H new ATOM 0 HB3 PHE A 54 -2.157 -1.501 -2.247 1.00 22.02 H new ATOM 0 HD1 PHE A 54 -3.958 1.501 -0.912 1.00 63.42 H new ATOM 0 HD2 PHE A 54 -0.200 -0.500 -1.238 1.00 43.32 H new ATOM 0 HE1 PHE A 54 -2.963 3.114 0.643 1.00 75.14 H new ATOM 0 HE2 PHE A 54 0.796 1.146 0.276 1.00 13.13 H new ATOM 0 HZ PHE A 54 -0.571 2.961 1.206 1.00 3.02 H new ATOM 895 N ARG A 55 -0.900 -0.758 -4.814 1.00 74.14 N ATOM 896 CA ARG A 55 0.406 -0.675 -5.498 1.00 2.11 C ATOM 897 C ARG A 55 0.306 0.158 -6.808 1.00 32.43 C ATOM 898 O ARG A 55 1.237 0.895 -7.167 1.00 12.32 O ATOM 899 CB ARG A 55 0.913 -2.122 -5.789 1.00 52.12 C ATOM 900 CG ARG A 55 2.268 -2.225 -6.521 1.00 55.04 C ATOM 901 CD ARG A 55 3.394 -1.454 -5.801 1.00 44.32 C ATOM 902 NE ARG A 55 4.644 -1.439 -6.575 1.00 60.21 N ATOM 903 CZ ARG A 55 4.853 -0.745 -7.675 1.00 44.53 C ATOM 904 NH1 ARG A 55 3.915 -0.049 -8.228 1.00 2.12 N ATOM 905 NH2 ARG A 55 6.008 -0.776 -8.244 1.00 50.41 N ATOM 0 H ARG A 55 -1.302 -1.695 -4.825 1.00 74.14 H new ATOM 0 HA ARG A 55 1.119 -0.163 -4.852 1.00 2.11 H new ATOM 0 HB2 ARG A 55 0.992 -2.656 -4.842 1.00 52.12 H new ATOM 0 HB3 ARG A 55 0.160 -2.638 -6.385 1.00 52.12 H new ATOM 0 HG2 ARG A 55 2.550 -3.274 -6.609 1.00 55.04 H new ATOM 0 HG3 ARG A 55 2.159 -1.839 -7.534 1.00 55.04 H new ATOM 0 HD2 ARG A 55 3.070 -0.429 -5.618 1.00 44.32 H new ATOM 0 HD3 ARG A 55 3.578 -1.909 -4.828 1.00 44.32 H new ATOM 0 HE ARG A 55 5.413 -2.014 -6.232 1.00 60.21 H new ATOM 0 HH11 ARG A 55 2.984 -0.027 -7.813 1.00 2.12 H new ATOM 0 HH12 ARG A 55 4.106 0.479 -9.080 1.00 2.12 H new ATOM 0 HH21 ARG A 55 6.759 -1.337 -7.843 1.00 50.41 H new ATOM 0 HH22 ARG A 55 6.171 -0.239 -9.096 1.00 50.41 H new ATOM 919 N ASP A 56 -0.837 0.015 -7.502 1.00 51.05 N ATOM 920 CA ASP A 56 -1.156 0.752 -8.744 1.00 3.11 C ATOM 921 C ASP A 56 -1.283 2.273 -8.480 1.00 44.42 C ATOM 922 O ASP A 56 -0.638 3.086 -9.162 1.00 14.45 O ATOM 923 CB ASP A 56 -2.465 0.177 -9.354 1.00 62.14 C ATOM 924 CG ASP A 56 -2.981 0.941 -10.587 1.00 1.53 C ATOM 925 OD1 ASP A 56 -2.270 0.985 -11.611 1.00 14.01 O ATOM 926 OD2 ASP A 56 -4.096 1.513 -10.533 1.00 51.21 O ATOM 0 H ASP A 56 -1.578 -0.624 -7.214 1.00 51.05 H new ATOM 0 HA ASP A 56 -0.340 0.621 -9.455 1.00 3.11 H new ATOM 0 HB2 ASP A 56 -2.296 -0.864 -9.631 1.00 62.14 H new ATOM 0 HB3 ASP A 56 -3.241 0.181 -8.588 1.00 62.14 H new ATOM 931 N GLU A 57 -2.110 2.638 -7.475 1.00 34.24 N ATOM 932 CA GLU A 57 -2.307 4.047 -7.075 1.00 2.25 C ATOM 933 C GLU A 57 -0.998 4.648 -6.520 1.00 14.13 C ATOM 934 O GLU A 57 -0.591 5.733 -6.946 1.00 11.15 O ATOM 935 CB GLU A 57 -3.459 4.184 -6.039 1.00 15.12 C ATOM 936 CG GLU A 57 -3.807 5.651 -5.666 1.00 31.41 C ATOM 937 CD GLU A 57 -5.028 5.788 -4.732 1.00 12.40 C ATOM 938 OE1 GLU A 57 -6.169 5.552 -5.203 1.00 2.23 O ATOM 939 OE2 GLU A 57 -4.863 6.148 -3.539 1.00 13.13 O ATOM 0 H GLU A 57 -2.653 1.972 -6.925 1.00 34.24 H new ATOM 0 HA GLU A 57 -2.591 4.608 -7.965 1.00 2.25 H new ATOM 0 HB2 GLU A 57 -4.351 3.701 -6.438 1.00 15.12 H new ATOM 0 HB3 GLU A 57 -3.183 3.646 -5.132 1.00 15.12 H new ATOM 0 HG2 GLU A 57 -2.942 6.108 -5.186 1.00 31.41 H new ATOM 0 HG3 GLU A 57 -3.997 6.212 -6.581 1.00 31.41 H new ATOM 946 N MET A 58 -0.328 3.900 -5.606 1.00 34.21 N ATOM 947 CA MET A 58 0.964 4.305 -5.002 1.00 14.20 C ATOM 948 C MET A 58 2.031 4.684 -6.038 1.00 23.51 C ATOM 949 O MET A 58 2.713 5.698 -5.865 1.00 34.45 O ATOM 950 CB MET A 58 1.525 3.194 -4.063 1.00 73.14 C ATOM 951 CG MET A 58 1.071 3.298 -2.596 1.00 2.22 C ATOM 952 SD MET A 58 2.442 2.999 -1.471 1.00 41.05 S ATOM 953 CE MET A 58 3.598 4.268 -1.992 1.00 54.42 C ATOM 0 H MET A 58 -0.670 3.000 -5.269 1.00 34.21 H new ATOM 0 HA MET A 58 0.742 5.200 -4.421 1.00 14.20 H new ATOM 0 HB2 MET A 58 1.224 2.222 -4.454 1.00 73.14 H new ATOM 0 HB3 MET A 58 2.614 3.227 -4.095 1.00 73.14 H new ATOM 0 HG2 MET A 58 0.654 4.288 -2.411 1.00 2.22 H new ATOM 0 HG3 MET A 58 0.277 2.576 -2.406 1.00 2.22 H new ATOM 0 HE1 MET A 58 4.589 4.041 -1.599 1.00 54.42 H new ATOM 0 HE2 MET A 58 3.638 4.299 -3.081 1.00 54.42 H new ATOM 0 HE3 MET A 58 3.270 5.236 -1.613 1.00 54.42 H new ATOM 963 N GLU A 59 2.180 3.861 -7.092 1.00 3.43 N ATOM 964 CA GLU A 59 3.156 4.140 -8.158 1.00 13.44 C ATOM 965 C GLU A 59 2.796 5.434 -8.903 1.00 61.03 C ATOM 966 O GLU A 59 3.670 6.243 -9.188 1.00 21.21 O ATOM 967 CB GLU A 59 3.264 2.956 -9.149 1.00 43.43 C ATOM 968 CG GLU A 59 4.384 3.111 -10.206 1.00 54.24 C ATOM 969 CD GLU A 59 4.615 1.837 -11.034 1.00 74.34 C ATOM 970 OE1 GLU A 59 5.383 0.959 -10.577 1.00 63.02 O ATOM 971 OE2 GLU A 59 4.016 1.695 -12.117 1.00 63.24 O ATOM 0 H GLU A 59 1.642 3.005 -7.227 1.00 3.43 H new ATOM 0 HA GLU A 59 4.130 4.272 -7.686 1.00 13.44 H new ATOM 0 HB2 GLU A 59 3.437 2.040 -8.585 1.00 43.43 H new ATOM 0 HB3 GLU A 59 2.310 2.839 -9.662 1.00 43.43 H new ATOM 0 HG2 GLU A 59 4.130 3.932 -10.877 1.00 54.24 H new ATOM 0 HG3 GLU A 59 5.313 3.384 -9.705 1.00 54.24 H new ATOM 978 N GLN A 60 1.483 5.632 -9.157 1.00 14.51 N ATOM 979 CA GLN A 60 0.964 6.799 -9.904 1.00 73.20 C ATOM 980 C GLN A 60 1.385 8.138 -9.218 1.00 15.32 C ATOM 981 O GLN A 60 2.055 8.966 -9.852 1.00 22.03 O ATOM 982 CB GLN A 60 -0.593 6.668 -10.046 1.00 40.24 C ATOM 983 CG GLN A 60 -1.296 7.585 -11.089 1.00 52.33 C ATOM 984 CD GLN A 60 -1.417 9.062 -10.673 1.00 75.53 C ATOM 985 OE1 GLN A 60 -0.577 9.893 -10.999 1.00 73.13 O ATOM 986 NE2 GLN A 60 -2.462 9.397 -9.946 1.00 74.01 N ATOM 0 H GLN A 60 0.754 4.988 -8.850 1.00 14.51 H new ATOM 0 HA GLN A 60 1.400 6.817 -10.903 1.00 73.20 H new ATOM 0 HB2 GLN A 60 -0.822 5.633 -10.299 1.00 40.24 H new ATOM 0 HB3 GLN A 60 -1.038 6.864 -9.071 1.00 40.24 H new ATOM 0 HG2 GLN A 60 -0.746 7.531 -12.029 1.00 52.33 H new ATOM 0 HG3 GLN A 60 -2.295 7.193 -11.281 1.00 52.33 H new ATOM 0 HE21 GLN A 60 -3.150 8.690 -9.685 1.00 74.01 H new ATOM 0 HE22 GLN A 60 -2.584 10.363 -9.643 1.00 74.01 H new ATOM 995 N MET A 61 1.032 8.334 -7.917 1.00 10.30 N ATOM 996 CA MET A 61 1.367 9.603 -7.203 1.00 24.22 C ATOM 997 C MET A 61 2.858 9.674 -6.780 1.00 73.12 C ATOM 998 O MET A 61 3.359 10.760 -6.490 1.00 42.24 O ATOM 999 CB MET A 61 0.428 9.917 -6.004 1.00 35.02 C ATOM 1000 CG MET A 61 0.554 9.017 -4.765 1.00 61.02 C ATOM 1001 SD MET A 61 -0.431 7.520 -4.866 1.00 13.32 S ATOM 1002 CE MET A 61 -0.486 7.004 -3.151 1.00 53.20 C ATOM 0 H MET A 61 0.529 7.650 -7.352 1.00 10.30 H new ATOM 0 HA MET A 61 1.194 10.387 -7.940 1.00 24.22 H new ATOM 0 HB2 MET A 61 0.607 10.947 -5.694 1.00 35.02 H new ATOM 0 HB3 MET A 61 -0.602 9.865 -6.357 1.00 35.02 H new ATOM 0 HG2 MET A 61 1.601 8.745 -4.628 1.00 61.02 H new ATOM 0 HG3 MET A 61 0.253 9.582 -3.883 1.00 61.02 H new ATOM 0 HE1 MET A 61 -1.153 6.148 -3.050 1.00 53.20 H new ATOM 0 HE2 MET A 61 0.515 6.725 -2.823 1.00 53.20 H new ATOM 0 HE3 MET A 61 -0.854 7.825 -2.536 1.00 53.20 H new ATOM 1012 N TYR A 62 3.544 8.509 -6.696 1.00 70.45 N ATOM 1013 CA TYR A 62 5.017 8.465 -6.494 1.00 74.40 C ATOM 1014 C TYR A 62 5.764 9.062 -7.711 1.00 73.11 C ATOM 1015 O TYR A 62 6.754 9.778 -7.557 1.00 14.52 O ATOM 1016 CB TYR A 62 5.513 7.010 -6.222 1.00 43.31 C ATOM 1017 CG TYR A 62 7.052 6.869 -6.229 1.00 24.23 C ATOM 1018 CD1 TYR A 62 7.825 7.340 -5.164 1.00 65.31 C ATOM 1019 CD2 TYR A 62 7.732 6.333 -7.336 1.00 33.30 C ATOM 1020 CE1 TYR A 62 9.196 7.283 -5.205 1.00 14.21 C ATOM 1021 CE2 TYR A 62 9.106 6.266 -7.363 1.00 62.43 C ATOM 1022 CZ TYR A 62 9.830 6.752 -6.300 1.00 13.22 C ATOM 1023 OH TYR A 62 11.198 6.725 -6.338 1.00 24.12 O ATOM 0 H TYR A 62 3.106 7.590 -6.764 1.00 70.45 H new ATOM 0 HA TYR A 62 5.240 9.072 -5.616 1.00 74.40 H new ATOM 0 HB2 TYR A 62 5.131 6.679 -5.256 1.00 43.31 H new ATOM 0 HB3 TYR A 62 5.092 6.345 -6.976 1.00 43.31 H new ATOM 0 HD1 TYR A 62 7.336 7.755 -4.295 1.00 65.31 H new ATOM 0 HD2 TYR A 62 7.166 5.967 -8.180 1.00 33.30 H new ATOM 0 HE1 TYR A 62 9.776 7.657 -4.374 1.00 14.21 H new ATOM 0 HE2 TYR A 62 9.613 5.834 -8.214 1.00 62.43 H new ATOM 0 HH TYR A 62 11.494 6.317 -7.179 1.00 24.12 H new ATOM 1033 N LYS A 63 5.293 8.728 -8.922 1.00 4.22 N ATOM 1034 CA LYS A 63 5.868 9.274 -10.181 1.00 11.24 C ATOM 1035 C LYS A 63 5.668 10.808 -10.272 1.00 42.52 C ATOM 1036 O LYS A 63 6.450 11.505 -10.924 1.00 24.12 O ATOM 1037 CB LYS A 63 5.262 8.567 -11.422 1.00 12.05 C ATOM 1038 CG LYS A 63 5.555 7.051 -11.517 1.00 43.32 C ATOM 1039 CD LYS A 63 7.068 6.716 -11.528 1.00 63.03 C ATOM 1040 CE LYS A 63 7.338 5.202 -11.629 1.00 14.54 C ATOM 1041 NZ LYS A 63 8.792 4.892 -11.655 1.00 20.15 N ATOM 0 H LYS A 63 4.516 8.083 -9.066 1.00 4.22 H new ATOM 0 HA LYS A 63 6.940 9.076 -10.166 1.00 11.24 H new ATOM 0 HB2 LYS A 63 4.182 8.713 -11.414 1.00 12.05 H new ATOM 0 HB3 LYS A 63 5.643 9.053 -12.320 1.00 12.05 H new ATOM 0 HG2 LYS A 63 5.084 6.544 -10.675 1.00 43.32 H new ATOM 0 HG3 LYS A 63 5.096 6.656 -12.423 1.00 43.32 H new ATOM 0 HD2 LYS A 63 7.543 7.223 -12.368 1.00 63.03 H new ATOM 0 HD3 LYS A 63 7.529 7.104 -10.620 1.00 63.03 H new ATOM 0 HE2 LYS A 63 6.875 4.695 -10.783 1.00 14.54 H new ATOM 0 HE3 LYS A 63 6.868 4.810 -12.531 1.00 14.54 H new ATOM 0 HZ1 LYS A 63 8.926 3.863 -11.723 1.00 20.15 H new ATOM 0 HZ2 LYS A 63 9.231 5.354 -12.477 1.00 20.15 H new ATOM 0 HZ3 LYS A 63 9.237 5.242 -10.783 1.00 20.15 H new ATOM 1055 N ASP A 64 4.608 11.308 -9.609 1.00 45.32 N ATOM 1056 CA ASP A 64 4.345 12.753 -9.461 1.00 71.52 C ATOM 1057 C ASP A 64 5.325 13.389 -8.435 1.00 10.25 C ATOM 1058 O ASP A 64 6.023 14.357 -8.744 1.00 64.32 O ATOM 1059 CB ASP A 64 2.870 12.961 -9.022 1.00 53.15 C ATOM 1060 CG ASP A 64 2.472 14.442 -8.923 1.00 51.35 C ATOM 1061 OD1 ASP A 64 2.243 15.071 -9.977 1.00 60.23 O ATOM 1062 OD2 ASP A 64 2.393 14.985 -7.795 1.00 32.34 O ATOM 0 H ASP A 64 3.907 10.719 -9.159 1.00 45.32 H new ATOM 0 HA ASP A 64 4.506 13.249 -10.418 1.00 71.52 H new ATOM 0 HB2 ASP A 64 2.212 12.461 -9.733 1.00 53.15 H new ATOM 0 HB3 ASP A 64 2.715 12.484 -8.054 1.00 53.15 H new ATOM 1067 N ALA A 65 5.375 12.809 -7.221 1.00 31.53 N ATOM 1068 CA ALA A 65 6.245 13.276 -6.112 1.00 65.04 C ATOM 1069 C ALA A 65 7.207 12.137 -5.659 1.00 53.22 C ATOM 1070 O ALA A 65 6.841 11.313 -4.803 1.00 21.44 O ATOM 1071 CB ALA A 65 5.380 13.785 -4.937 1.00 15.20 C ATOM 0 H ALA A 65 4.810 11.996 -6.975 1.00 31.53 H new ATOM 0 HA ALA A 65 6.857 14.106 -6.465 1.00 65.04 H new ATOM 0 HB1 ALA A 65 6.028 14.125 -4.129 1.00 15.20 H new ATOM 0 HB2 ALA A 65 4.757 14.613 -5.276 1.00 15.20 H new ATOM 0 HB3 ALA A 65 4.744 12.976 -4.576 1.00 15.20 H new ATOM 1077 N PRO A 66 8.436 12.025 -6.280 1.00 42.03 N ATOM 1078 CA PRO A 66 9.425 10.964 -5.938 1.00 54.44 C ATOM 1079 C PRO A 66 10.077 11.165 -4.538 1.00 32.13 C ATOM 1080 O PRO A 66 10.712 12.193 -4.279 1.00 73.13 O ATOM 1081 CB PRO A 66 10.488 11.067 -7.083 1.00 24.43 C ATOM 1082 CG PRO A 66 9.837 11.919 -8.139 1.00 72.13 C ATOM 1083 CD PRO A 66 8.942 12.877 -7.387 1.00 63.32 C ATOM 0 HA PRO A 66 8.955 9.983 -5.871 1.00 54.44 H new ATOM 0 HB2 PRO A 66 11.412 11.520 -6.724 1.00 24.43 H new ATOM 0 HB3 PRO A 66 10.746 10.082 -7.473 1.00 24.43 H new ATOM 0 HG2 PRO A 66 10.583 12.456 -8.725 1.00 72.13 H new ATOM 0 HG3 PRO A 66 9.262 11.309 -8.836 1.00 72.13 H new ATOM 0 HD2 PRO A 66 9.491 13.743 -7.017 1.00 63.32 H new ATOM 0 HD3 PRO A 66 8.134 13.256 -8.012 1.00 63.32 H new ATOM 1091 N ASN A 67 9.888 10.179 -3.640 1.00 43.11 N ATOM 1092 CA ASN A 67 10.504 10.163 -2.285 1.00 75.10 C ATOM 1093 C ASN A 67 11.282 8.843 -2.075 1.00 62.44 C ATOM 1094 O ASN A 67 10.794 7.777 -2.451 1.00 43.30 O ATOM 1095 CB ASN A 67 9.415 10.326 -1.193 1.00 42.25 C ATOM 1096 CG ASN A 67 8.689 11.666 -1.284 1.00 22.53 C ATOM 1097 OD1 ASN A 67 9.058 12.639 -0.636 1.00 42.55 O ATOM 1098 ND2 ASN A 67 7.675 11.742 -2.122 1.00 52.34 N ATOM 0 H ASN A 67 9.303 9.365 -3.828 1.00 43.11 H new ATOM 0 HA ASN A 67 11.199 10.999 -2.205 1.00 75.10 H new ATOM 0 HB2 ASN A 67 8.690 9.517 -1.284 1.00 42.25 H new ATOM 0 HB3 ASN A 67 9.875 10.232 -0.209 1.00 42.25 H new ATOM 0 HD21 ASN A 67 7.178 12.625 -2.243 1.00 52.34 H new ATOM 0 HD22 ASN A 67 7.387 10.918 -2.650 1.00 52.34 H new ATOM 1105 N ALA A 68 12.478 8.928 -1.458 1.00 10.44 N ATOM 1106 CA ALA A 68 13.374 7.758 -1.256 1.00 32.34 C ATOM 1107 C ALA A 68 12.736 6.674 -0.355 1.00 75.05 C ATOM 1108 O ALA A 68 12.844 5.471 -0.635 1.00 45.43 O ATOM 1109 CB ALA A 68 14.720 8.230 -0.681 1.00 30.32 C ATOM 0 H ALA A 68 12.853 9.800 -1.086 1.00 10.44 H new ATOM 0 HA ALA A 68 13.539 7.293 -2.228 1.00 32.34 H new ATOM 0 HB1 ALA A 68 15.374 7.371 -0.534 1.00 30.32 H new ATOM 0 HB2 ALA A 68 15.188 8.928 -1.376 1.00 30.32 H new ATOM 0 HB3 ALA A 68 14.553 8.727 0.275 1.00 30.32 H new ATOM 1115 N VAL A 69 12.065 7.122 0.717 1.00 71.11 N ATOM 1116 CA VAL A 69 11.312 6.236 1.628 1.00 64.44 C ATOM 1117 C VAL A 69 10.156 5.545 0.865 1.00 61.15 C ATOM 1118 O VAL A 69 10.072 4.316 0.825 1.00 1.01 O ATOM 1119 CB VAL A 69 10.737 7.044 2.860 1.00 3.14 C ATOM 1120 CG1 VAL A 69 9.991 6.123 3.855 1.00 70.23 C ATOM 1121 CG2 VAL A 69 11.858 7.841 3.576 1.00 62.14 C ATOM 0 H VAL A 69 12.027 8.107 0.980 1.00 71.11 H new ATOM 0 HA VAL A 69 11.998 5.478 2.006 1.00 64.44 H new ATOM 0 HB VAL A 69 10.010 7.756 2.468 1.00 3.14 H new ATOM 0 HG11 VAL A 69 9.612 6.717 4.686 1.00 70.23 H new ATOM 0 HG12 VAL A 69 9.158 5.637 3.347 1.00 70.23 H new ATOM 0 HG13 VAL A 69 10.677 5.365 4.234 1.00 70.23 H new ATOM 0 HG21 VAL A 69 11.435 8.387 4.419 1.00 62.14 H new ATOM 0 HG22 VAL A 69 12.621 7.151 3.937 1.00 62.14 H new ATOM 0 HG23 VAL A 69 12.307 8.546 2.876 1.00 62.14 H new ATOM 1131 N MET A 70 9.317 6.371 0.207 1.00 41.52 N ATOM 1132 CA MET A 70 8.118 5.923 -0.544 1.00 53.23 C ATOM 1133 C MET A 70 8.473 4.882 -1.645 1.00 40.50 C ATOM 1134 O MET A 70 7.706 3.951 -1.892 1.00 54.33 O ATOM 1135 CB MET A 70 7.417 7.174 -1.145 1.00 33.23 C ATOM 1136 CG MET A 70 6.050 6.938 -1.798 1.00 13.03 C ATOM 1137 SD MET A 70 5.219 8.488 -2.221 1.00 33.52 S ATOM 1138 CE MET A 70 3.600 7.911 -2.735 1.00 50.34 C ATOM 0 H MET A 70 9.452 7.382 0.180 1.00 41.52 H new ATOM 0 HA MET A 70 7.438 5.414 0.139 1.00 53.23 H new ATOM 0 HB2 MET A 70 7.295 7.912 -0.352 1.00 33.23 H new ATOM 0 HB3 MET A 70 8.081 7.614 -1.890 1.00 33.23 H new ATOM 0 HG2 MET A 70 6.178 6.339 -2.699 1.00 13.03 H new ATOM 0 HG3 MET A 70 5.420 6.363 -1.120 1.00 13.03 H new ATOM 0 HE1 MET A 70 2.990 8.762 -3.040 1.00 50.34 H new ATOM 0 HE2 MET A 70 3.708 7.223 -3.574 1.00 50.34 H new ATOM 0 HE3 MET A 70 3.116 7.397 -1.904 1.00 50.34 H new ATOM 1148 N GLU A 71 9.668 5.043 -2.257 1.00 23.54 N ATOM 1149 CA GLU A 71 10.218 4.104 -3.275 1.00 13.02 C ATOM 1150 C GLU A 71 10.366 2.678 -2.696 1.00 44.42 C ATOM 1151 O GLU A 71 9.931 1.694 -3.313 1.00 43.21 O ATOM 1152 CB GLU A 71 11.591 4.654 -3.781 1.00 13.42 C ATOM 1153 CG GLU A 71 12.250 3.902 -4.978 1.00 24.20 C ATOM 1154 CD GLU A 71 13.025 2.623 -4.592 1.00 21.12 C ATOM 1155 OE1 GLU A 71 14.026 2.731 -3.861 1.00 43.44 O ATOM 1156 OE2 GLU A 71 12.647 1.514 -5.026 1.00 12.32 O ATOM 0 H GLU A 71 10.285 5.831 -2.061 1.00 23.54 H new ATOM 0 HA GLU A 71 9.526 4.036 -4.114 1.00 13.02 H new ATOM 0 HB2 GLU A 71 11.455 5.697 -4.068 1.00 13.42 H new ATOM 0 HB3 GLU A 71 12.291 4.642 -2.945 1.00 13.42 H new ATOM 0 HG2 GLU A 71 11.473 3.636 -5.694 1.00 24.20 H new ATOM 0 HG3 GLU A 71 12.932 4.584 -5.486 1.00 24.20 H new ATOM 1163 N GLN A 72 10.988 2.592 -1.504 1.00 14.20 N ATOM 1164 CA GLN A 72 11.194 1.315 -0.783 1.00 30.05 C ATOM 1165 C GLN A 72 9.853 0.642 -0.406 1.00 73.30 C ATOM 1166 O GLN A 72 9.767 -0.586 -0.327 1.00 54.43 O ATOM 1167 CB GLN A 72 12.069 1.546 0.477 1.00 52.24 C ATOM 1168 CG GLN A 72 13.491 2.059 0.171 1.00 42.13 C ATOM 1169 CD GLN A 72 14.362 2.212 1.423 1.00 71.32 C ATOM 1170 OE1 GLN A 72 14.392 3.266 2.046 1.00 2.24 O ATOM 1171 NE2 GLN A 72 15.060 1.158 1.809 1.00 64.11 N ATOM 0 H GLN A 72 11.362 3.403 -1.012 1.00 14.20 H new ATOM 0 HA GLN A 72 11.716 0.634 -1.455 1.00 30.05 H new ATOM 0 HB2 GLN A 72 11.568 2.263 1.128 1.00 52.24 H new ATOM 0 HB3 GLN A 72 12.143 0.610 1.031 1.00 52.24 H new ATOM 0 HG2 GLN A 72 13.977 1.370 -0.520 1.00 42.13 H new ATOM 0 HG3 GLN A 72 13.421 3.022 -0.335 1.00 42.13 H new ATOM 0 HE21 GLN A 72 15.016 0.292 1.271 1.00 64.11 H new ATOM 0 HE22 GLN A 72 15.642 1.210 2.645 1.00 64.11 H new ATOM 1180 N LEU A 73 8.814 1.460 -0.159 1.00 42.13 N ATOM 1181 CA LEU A 73 7.450 0.952 0.102 1.00 31.34 C ATOM 1182 C LEU A 73 6.769 0.399 -1.180 1.00 73.33 C ATOM 1183 O LEU A 73 6.018 -0.570 -1.081 1.00 30.12 O ATOM 1184 CB LEU A 73 6.560 2.023 0.808 1.00 70.34 C ATOM 1185 CG LEU A 73 6.770 2.189 2.358 1.00 32.34 C ATOM 1186 CD1 LEU A 73 6.642 0.834 3.085 1.00 41.12 C ATOM 1187 CD2 LEU A 73 8.100 2.881 2.704 1.00 74.43 C ATOM 0 H LEU A 73 8.891 2.477 -0.134 1.00 42.13 H new ATOM 0 HA LEU A 73 7.557 0.112 0.788 1.00 31.34 H new ATOM 0 HB2 LEU A 73 6.742 2.987 0.333 1.00 70.34 H new ATOM 0 HB3 LEU A 73 5.515 1.772 0.629 1.00 70.34 H new ATOM 0 HG LEU A 73 5.975 2.844 2.713 1.00 32.34 H new ATOM 0 HD11 LEU A 73 6.792 0.979 4.155 1.00 41.12 H new ATOM 0 HD12 LEU A 73 5.649 0.420 2.911 1.00 41.12 H new ATOM 0 HD13 LEU A 73 7.395 0.144 2.704 1.00 41.12 H new ATOM 0 HD21 LEU A 73 8.193 2.970 3.786 1.00 74.43 H new ATOM 0 HD22 LEU A 73 8.929 2.290 2.316 1.00 74.43 H new ATOM 0 HD23 LEU A 73 8.121 3.874 2.255 1.00 74.43 H new ATOM 1199 N LEU A 74 7.033 0.999 -2.377 1.00 62.50 N ATOM 1200 CA LEU A 74 6.515 0.452 -3.675 1.00 32.50 C ATOM 1201 C LEU A 74 6.915 -1.034 -3.854 1.00 62.44 C ATOM 1202 O LEU A 74 6.063 -1.898 -4.102 1.00 35.02 O ATOM 1203 CB LEU A 74 7.029 1.268 -4.920 1.00 64.11 C ATOM 1204 CG LEU A 74 6.103 2.406 -5.466 1.00 14.44 C ATOM 1205 CD1 LEU A 74 6.028 3.603 -4.505 1.00 33.51 C ATOM 1206 CD2 LEU A 74 6.552 2.853 -6.880 1.00 24.43 C ATOM 0 H LEU A 74 7.591 1.847 -2.474 1.00 62.50 H new ATOM 0 HA LEU A 74 5.430 0.541 -3.627 1.00 32.50 H new ATOM 0 HB2 LEU A 74 7.990 1.711 -4.659 1.00 64.11 H new ATOM 0 HB3 LEU A 74 7.213 0.564 -5.732 1.00 64.11 H new ATOM 0 HG LEU A 74 5.096 1.994 -5.540 1.00 14.44 H new ATOM 0 HD11 LEU A 74 5.374 4.367 -4.926 1.00 33.51 H new ATOM 0 HD12 LEU A 74 5.631 3.274 -3.545 1.00 33.51 H new ATOM 0 HD13 LEU A 74 7.026 4.018 -4.362 1.00 33.51 H new ATOM 0 HD21 LEU A 74 5.893 3.644 -7.238 1.00 24.43 H new ATOM 0 HD22 LEU A 74 7.576 3.225 -6.836 1.00 24.43 H new ATOM 0 HD23 LEU A 74 6.504 2.004 -7.562 1.00 24.43 H new ATOM 1218 N GLU A 75 8.215 -1.316 -3.691 1.00 4.11 N ATOM 1219 CA GLU A 75 8.770 -2.659 -3.934 1.00 33.25 C ATOM 1220 C GLU A 75 8.307 -3.667 -2.849 1.00 4.32 C ATOM 1221 O GLU A 75 8.166 -4.851 -3.140 1.00 30.11 O ATOM 1222 CB GLU A 75 10.319 -2.578 -4.103 1.00 65.13 C ATOM 1223 CG GLU A 75 11.143 -2.158 -2.855 1.00 2.13 C ATOM 1224 CD GLU A 75 11.612 -3.346 -1.985 1.00 23.20 C ATOM 1225 OE1 GLU A 75 12.495 -4.109 -2.442 1.00 2.00 O ATOM 1226 OE2 GLU A 75 11.095 -3.541 -0.871 1.00 53.41 O ATOM 0 H GLU A 75 8.907 -0.629 -3.390 1.00 4.11 H new ATOM 0 HA GLU A 75 8.376 -3.049 -4.872 1.00 33.25 H new ATOM 0 HB2 GLU A 75 10.676 -3.554 -4.432 1.00 65.13 H new ATOM 0 HB3 GLU A 75 10.536 -1.873 -4.905 1.00 65.13 H new ATOM 0 HG2 GLU A 75 12.016 -1.593 -3.182 1.00 2.13 H new ATOM 0 HG3 GLU A 75 10.540 -1.488 -2.242 1.00 2.13 H new ATOM 1233 N GLU A 76 8.052 -3.166 -1.612 1.00 0.42 N ATOM 1234 CA GLU A 76 7.434 -3.957 -0.510 1.00 70.40 C ATOM 1235 C GLU A 76 6.024 -4.493 -0.880 1.00 42.12 C ATOM 1236 O GLU A 76 5.757 -5.687 -0.750 1.00 12.30 O ATOM 1237 CB GLU A 76 7.342 -3.100 0.796 1.00 11.12 C ATOM 1238 CG GLU A 76 8.632 -3.042 1.640 1.00 34.04 C ATOM 1239 CD GLU A 76 9.026 -4.422 2.203 1.00 51.52 C ATOM 1240 OE1 GLU A 76 8.237 -4.991 2.998 1.00 53.31 O ATOM 1241 OE2 GLU A 76 10.111 -4.947 1.864 1.00 72.33 O ATOM 0 H GLU A 76 8.268 -2.204 -1.349 1.00 0.42 H new ATOM 0 HA GLU A 76 8.082 -4.817 -0.342 1.00 70.40 H new ATOM 0 HB2 GLU A 76 7.060 -2.083 0.524 1.00 11.12 H new ATOM 0 HB3 GLU A 76 6.539 -3.499 1.416 1.00 11.12 H new ATOM 0 HG2 GLU A 76 9.447 -2.656 1.028 1.00 34.04 H new ATOM 0 HG3 GLU A 76 8.493 -2.342 2.464 1.00 34.04 H new ATOM 1248 N ILE A 77 5.132 -3.590 -1.335 1.00 62.42 N ATOM 1249 CA ILE A 77 3.722 -3.934 -1.677 1.00 21.15 C ATOM 1250 C ILE A 77 3.663 -4.880 -2.896 1.00 54.53 C ATOM 1251 O ILE A 77 2.865 -5.816 -2.929 1.00 4.32 O ATOM 1252 CB ILE A 77 2.883 -2.641 -1.994 1.00 54.22 C ATOM 1253 CG1 ILE A 77 3.056 -1.576 -0.870 1.00 5.41 C ATOM 1254 CG2 ILE A 77 1.377 -2.976 -2.197 1.00 61.41 C ATOM 1255 CD1 ILE A 77 2.706 -0.166 -1.289 1.00 54.33 C ATOM 0 H ILE A 77 5.359 -2.606 -1.478 1.00 62.42 H new ATOM 0 HA ILE A 77 3.295 -4.436 -0.808 1.00 21.15 H new ATOM 0 HB ILE A 77 3.264 -2.225 -2.927 1.00 54.22 H new ATOM 0 HG12 ILE A 77 2.432 -1.856 -0.021 1.00 5.41 H new ATOM 0 HG13 ILE A 77 4.090 -1.594 -0.525 1.00 5.41 H new ATOM 0 HG21 ILE A 77 0.827 -2.061 -2.414 1.00 61.41 H new ATOM 0 HG22 ILE A 77 1.268 -3.671 -3.029 1.00 61.41 H new ATOM 0 HG23 ILE A 77 0.980 -3.431 -1.290 1.00 61.41 H new ATOM 0 HD11 ILE A 77 2.854 0.511 -0.448 1.00 54.33 H new ATOM 0 HD12 ILE A 77 3.347 0.137 -2.117 1.00 54.33 H new ATOM 0 HD13 ILE A 77 1.664 -0.129 -1.605 1.00 54.33 H new ATOM 1267 N GLU A 78 4.543 -4.619 -3.882 1.00 63.34 N ATOM 1268 CA GLU A 78 4.633 -5.406 -5.132 1.00 30.52 C ATOM 1269 C GLU A 78 5.022 -6.885 -4.850 1.00 53.20 C ATOM 1270 O GLU A 78 4.643 -7.795 -5.600 1.00 21.13 O ATOM 1271 CB GLU A 78 5.641 -4.725 -6.089 1.00 14.33 C ATOM 1272 CG GLU A 78 5.646 -5.272 -7.534 1.00 21.23 C ATOM 1273 CD GLU A 78 6.577 -4.479 -8.467 1.00 1.54 C ATOM 1274 OE1 GLU A 78 7.806 -4.699 -8.424 1.00 25.23 O ATOM 1275 OE2 GLU A 78 6.088 -3.595 -9.207 1.00 75.14 O ATOM 0 H GLU A 78 5.215 -3.853 -3.836 1.00 63.34 H new ATOM 0 HA GLU A 78 3.653 -5.430 -5.608 1.00 30.52 H new ATOM 0 HB2 GLU A 78 5.423 -3.658 -6.122 1.00 14.33 H new ATOM 0 HB3 GLU A 78 6.643 -4.833 -5.673 1.00 14.33 H new ATOM 0 HG2 GLU A 78 5.956 -6.317 -7.521 1.00 21.23 H new ATOM 0 HG3 GLU A 78 4.631 -5.245 -7.932 1.00 21.23 H new ATOM 1282 N LYS A 79 5.770 -7.105 -3.749 1.00 23.13 N ATOM 1283 CA LYS A 79 6.085 -8.463 -3.244 1.00 64.41 C ATOM 1284 C LYS A 79 4.808 -9.240 -2.845 1.00 62.33 C ATOM 1285 O LYS A 79 4.726 -10.432 -3.087 1.00 72.32 O ATOM 1286 CB LYS A 79 7.045 -8.383 -2.033 1.00 2.32 C ATOM 1287 CG LYS A 79 8.456 -7.866 -2.378 1.00 61.33 C ATOM 1288 CD LYS A 79 9.265 -7.477 -1.121 1.00 34.42 C ATOM 1289 CE LYS A 79 10.652 -6.922 -1.463 1.00 62.31 C ATOM 1290 NZ LYS A 79 11.367 -6.411 -0.265 1.00 33.40 N ATOM 0 H LYS A 79 6.171 -6.354 -3.187 1.00 23.13 H new ATOM 0 HA LYS A 79 6.570 -9.004 -4.057 1.00 64.41 H new ATOM 0 HB2 LYS A 79 6.606 -7.731 -1.278 1.00 2.32 H new ATOM 0 HB3 LYS A 79 7.132 -9.374 -1.587 1.00 2.32 H new ATOM 0 HG2 LYS A 79 8.996 -8.634 -2.931 1.00 61.33 H new ATOM 0 HG3 LYS A 79 8.372 -7.000 -3.035 1.00 61.33 H new ATOM 0 HD2 LYS A 79 8.709 -6.732 -0.552 1.00 34.42 H new ATOM 0 HD3 LYS A 79 9.375 -8.351 -0.479 1.00 34.42 H new ATOM 0 HE2 LYS A 79 11.248 -7.704 -1.933 1.00 62.31 H new ATOM 0 HE3 LYS A 79 10.549 -6.118 -2.192 1.00 62.31 H new ATOM 0 HZ1 LYS A 79 12.108 -5.745 -0.561 1.00 33.40 H new ATOM 0 HZ2 LYS A 79 10.693 -5.924 0.360 1.00 33.40 H new ATOM 0 HZ3 LYS A 79 11.800 -7.206 0.246 1.00 33.40 H new ATOM 1304 N LEU A 80 3.820 -8.552 -2.234 1.00 53.31 N ATOM 1305 CA LEU A 80 2.526 -9.178 -1.840 1.00 14.24 C ATOM 1306 C LEU A 80 1.697 -9.630 -3.078 1.00 15.11 C ATOM 1307 O LEU A 80 0.931 -10.585 -2.985 1.00 63.45 O ATOM 1308 CB LEU A 80 1.684 -8.233 -0.926 1.00 63.13 C ATOM 1309 CG LEU A 80 2.107 -8.110 0.579 1.00 72.54 C ATOM 1310 CD1 LEU A 80 2.040 -9.475 1.304 1.00 54.21 C ATOM 1311 CD2 LEU A 80 3.492 -7.454 0.735 1.00 53.20 C ATOM 0 H LEU A 80 3.888 -7.562 -2.000 1.00 53.31 H new ATOM 0 HA LEU A 80 2.773 -10.070 -1.265 1.00 14.24 H new ATOM 0 HB2 LEU A 80 1.707 -7.235 -1.364 1.00 63.13 H new ATOM 0 HB3 LEU A 80 0.648 -8.571 -0.957 1.00 63.13 H new ATOM 0 HG LEU A 80 1.384 -7.450 1.060 1.00 72.54 H new ATOM 0 HD11 LEU A 80 2.340 -9.350 2.344 1.00 54.21 H new ATOM 0 HD12 LEU A 80 1.020 -9.858 1.264 1.00 54.21 H new ATOM 0 HD13 LEU A 80 2.712 -10.180 0.815 1.00 54.21 H new ATOM 0 HD21 LEU A 80 3.746 -7.388 1.793 1.00 53.20 H new ATOM 0 HD22 LEU A 80 4.240 -8.056 0.219 1.00 53.20 H new ATOM 0 HD23 LEU A 80 3.471 -6.453 0.304 1.00 53.20 H new ATOM 1323 N LEU A 81 1.845 -8.933 -4.225 1.00 64.41 N ATOM 1324 CA LEU A 81 1.225 -9.367 -5.514 1.00 74.32 C ATOM 1325 C LEU A 81 1.753 -10.766 -5.937 1.00 53.21 C ATOM 1326 O LEU A 81 0.985 -11.640 -6.360 1.00 24.13 O ATOM 1327 CB LEU A 81 1.506 -8.335 -6.663 1.00 10.51 C ATOM 1328 CG LEU A 81 0.668 -7.009 -6.678 1.00 4.14 C ATOM 1329 CD1 LEU A 81 0.886 -6.161 -5.415 1.00 20.34 C ATOM 1330 CD2 LEU A 81 0.980 -6.174 -7.943 1.00 44.42 C ATOM 0 H LEU A 81 2.384 -8.070 -4.294 1.00 64.41 H new ATOM 0 HA LEU A 81 0.149 -9.422 -5.351 1.00 74.32 H new ATOM 0 HB2 LEU A 81 2.561 -8.064 -6.619 1.00 10.51 H new ATOM 0 HB3 LEU A 81 1.347 -8.842 -7.615 1.00 10.51 H new ATOM 0 HG LEU A 81 -0.381 -7.303 -6.695 1.00 4.14 H new ATOM 0 HD11 LEU A 81 0.283 -5.255 -5.477 1.00 20.34 H new ATOM 0 HD12 LEU A 81 0.591 -6.734 -4.536 1.00 20.34 H new ATOM 0 HD13 LEU A 81 1.939 -5.891 -5.335 1.00 20.34 H new ATOM 0 HD21 LEU A 81 0.387 -5.260 -7.931 1.00 44.42 H new ATOM 0 HD22 LEU A 81 2.040 -5.919 -7.958 1.00 44.42 H new ATOM 0 HD23 LEU A 81 0.733 -6.754 -8.832 1.00 44.42 H new ATOM 1342 N LYS A 82 3.080 -10.944 -5.816 1.00 43.33 N ATOM 1343 CA LYS A 82 3.778 -12.197 -6.187 1.00 23.12 C ATOM 1344 C LYS A 82 3.490 -13.328 -5.141 1.00 53.12 C ATOM 1345 O LYS A 82 2.976 -14.399 -5.481 1.00 4.00 O ATOM 1346 CB LYS A 82 5.323 -11.910 -6.296 1.00 14.53 C ATOM 1347 CG LYS A 82 6.138 -12.735 -7.344 1.00 43.22 C ATOM 1348 CD LYS A 82 6.061 -14.291 -7.185 1.00 31.33 C ATOM 1349 CE LYS A 82 4.969 -14.951 -8.064 1.00 35.33 C ATOM 1350 NZ LYS A 82 4.812 -16.399 -7.764 1.00 12.03 N ATOM 0 H LYS A 82 3.705 -10.222 -5.457 1.00 43.33 H new ATOM 0 HA LYS A 82 3.408 -12.545 -7.151 1.00 23.12 H new ATOM 0 HB2 LYS A 82 5.453 -10.852 -6.526 1.00 14.53 H new ATOM 0 HB3 LYS A 82 5.767 -12.080 -5.315 1.00 14.53 H new ATOM 0 HG2 LYS A 82 5.786 -12.471 -8.341 1.00 43.22 H new ATOM 0 HG3 LYS A 82 7.184 -12.433 -7.285 1.00 43.22 H new ATOM 0 HD2 LYS A 82 7.029 -14.722 -7.439 1.00 31.33 H new ATOM 0 HD3 LYS A 82 5.869 -14.532 -6.139 1.00 31.33 H new ATOM 0 HE2 LYS A 82 4.018 -14.442 -7.904 1.00 35.33 H new ATOM 0 HE3 LYS A 82 5.225 -14.824 -9.116 1.00 35.33 H new ATOM 0 HZ1 LYS A 82 4.072 -16.802 -8.374 1.00 12.03 H new ATOM 0 HZ2 LYS A 82 5.712 -16.890 -7.941 1.00 12.03 H new ATOM 0 HZ3 LYS A 82 4.542 -16.520 -6.767 1.00 12.03 H new ATOM 1364 N LYS A 83 3.829 -13.037 -3.875 1.00 14.14 N ATOM 1365 CA LYS A 83 3.842 -14.007 -2.753 1.00 73.03 C ATOM 1366 C LYS A 83 2.422 -14.439 -2.309 1.00 43.11 C ATOM 1367 O LYS A 83 2.129 -15.640 -2.221 1.00 21.41 O ATOM 1368 CB LYS A 83 4.601 -13.365 -1.554 1.00 72.35 C ATOM 1369 CG LYS A 83 6.107 -13.086 -1.811 1.00 64.51 C ATOM 1370 CD LYS A 83 6.748 -12.160 -0.739 1.00 60.35 C ATOM 1371 CE LYS A 83 6.566 -12.669 0.701 1.00 60.33 C ATOM 1372 NZ LYS A 83 7.131 -14.028 0.888 1.00 32.50 N ATOM 0 H LYS A 83 4.110 -12.099 -3.590 1.00 14.14 H new ATOM 0 HA LYS A 83 4.345 -14.911 -3.097 1.00 73.03 H new ATOM 0 HB2 LYS A 83 4.112 -12.427 -1.293 1.00 72.35 H new ATOM 0 HB3 LYS A 83 4.510 -14.023 -0.690 1.00 72.35 H new ATOM 0 HG2 LYS A 83 6.647 -14.033 -1.834 1.00 64.51 H new ATOM 0 HG3 LYS A 83 6.223 -12.629 -2.794 1.00 64.51 H new ATOM 0 HD2 LYS A 83 7.813 -12.059 -0.948 1.00 60.35 H new ATOM 0 HD3 LYS A 83 6.311 -11.165 -0.822 1.00 60.35 H new ATOM 0 HE2 LYS A 83 7.048 -11.978 1.393 1.00 60.33 H new ATOM 0 HE3 LYS A 83 5.505 -12.681 0.950 1.00 60.33 H new ATOM 0 HZ1 LYS A 83 7.017 -14.318 1.880 1.00 32.50 H new ATOM 0 HZ2 LYS A 83 6.631 -14.700 0.271 1.00 32.50 H new ATOM 0 HZ3 LYS A 83 8.142 -14.020 0.644 1.00 32.50 H new ATOM 1386 N ALA A 84 1.558 -13.451 -2.019 1.00 42.14 N ATOM 1387 CA ALA A 84 0.182 -13.701 -1.530 1.00 41.12 C ATOM 1388 C ALA A 84 -0.740 -14.160 -2.684 1.00 71.45 C ATOM 1389 O ALA A 84 -0.933 -13.425 -3.650 1.00 24.41 O ATOM 1390 CB ALA A 84 -0.378 -12.438 -0.853 1.00 52.52 C ATOM 0 H ALA A 84 1.787 -12.462 -2.115 1.00 42.14 H new ATOM 0 HA ALA A 84 0.218 -14.504 -0.793 1.00 41.12 H new ATOM 0 HB1 ALA A 84 -1.390 -12.634 -0.498 1.00 52.52 H new ATOM 0 HB2 ALA A 84 0.256 -12.166 -0.010 1.00 52.52 H new ATOM 0 HB3 ALA A 84 -0.398 -11.619 -1.571 1.00 52.52 H new