USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 445 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 15 LYS NZ :NH3+ 139:sc= -0.514 (180deg=-1.94!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0415 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.232) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.682 (180deg=-1.97) USER MOD Single : A 48 MET CE :methyl 159:sc= -2.14 (180deg=-2.32) USER MOD Single : A 52 ASN : amide:sc= -0.629 K(o=-0.63,f=-2.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 164:sc= -0.0974 (180deg=-0.966) USER MOD Single : A 62 MET CE :methyl -156:sc= -1.15 (180deg=-2.12!) USER MOD Single : A 66 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0474 USER MOD Single : A 70 MET CE :methyl 172:sc= -0.127 (180deg=-0.174) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.454 7.838 -1.569 1.00 0.00 N ATOM 124 CA PRO A 8 -8.884 6.661 -0.796 1.00 0.00 C ATOM 125 C PRO A 8 -7.830 6.314 0.262 1.00 0.00 C ATOM 126 O PRO A 8 -6.784 6.929 0.312 1.00 0.00 O ATOM 127 CB PRO A 8 -8.987 5.557 -1.855 1.00 0.00 C ATOM 128 CG PRO A 8 -8.092 5.997 -3.036 1.00 0.00 C ATOM 129 CD PRO A 8 -7.910 7.521 -2.906 1.00 0.00 C ATOM 0 HA PRO A 8 -9.819 6.812 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.655 4.600 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.019 5.425 -2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.129 5.488 -3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.555 5.742 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.861 7.805 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.446 8.055 -3.691 1.00 0.00 H new ATOM 137 N PRO A 9 -8.139 5.339 1.076 1.00 0.00 N ATOM 138 CA PRO A 9 -7.232 4.887 2.146 1.00 0.00 C ATOM 139 C PRO A 9 -6.100 4.039 1.560 1.00 0.00 C ATOM 140 O PRO A 9 -6.325 3.159 0.754 1.00 0.00 O ATOM 141 CB PRO A 9 -8.138 4.055 3.058 1.00 0.00 C ATOM 142 CG PRO A 9 -9.342 3.613 2.192 1.00 0.00 C ATOM 143 CD PRO A 9 -9.413 4.594 1.006 1.00 0.00 C ATOM 0 HA PRO A 9 -6.747 5.706 2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.604 3.190 3.451 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.470 4.641 3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.212 2.589 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.265 3.637 2.771 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.514 4.066 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.270 5.262 1.092 1.00 0.00 H new ATOM 151 N ALA A 10 -4.882 4.304 1.951 1.00 0.00 N ATOM 152 CA ALA A 10 -3.739 3.519 1.407 1.00 0.00 C ATOM 153 C ALA A 10 -3.879 2.050 1.808 1.00 0.00 C ATOM 154 O ALA A 10 -3.169 1.199 1.317 1.00 0.00 O ATOM 155 CB ALA A 10 -2.423 4.069 1.962 1.00 0.00 C ATOM 0 H ALA A 10 -4.631 5.029 2.623 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.740 3.601 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.590 3.492 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.314 5.114 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.427 3.994 3.049 1.00 0.00 H new ATOM 161 N ALA A 11 -4.782 1.739 2.694 1.00 0.00 N ATOM 162 CA ALA A 11 -4.947 0.318 3.111 1.00 0.00 C ATOM 163 C ALA A 11 -5.971 -0.370 2.206 1.00 0.00 C ATOM 164 O ALA A 11 -6.518 -1.400 2.547 1.00 0.00 O ATOM 165 CB ALA A 11 -5.432 0.265 4.562 1.00 0.00 C ATOM 0 H ALA A 11 -5.411 2.403 3.146 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.989 -0.196 3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.553 -0.774 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.701 0.750 5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.388 0.781 4.645 1.00 0.00 H new ATOM 171 N VAL A 12 -6.245 0.193 1.060 1.00 0.00 N ATOM 172 CA VAL A 12 -7.244 -0.430 0.150 1.00 0.00 C ATOM 173 C VAL A 12 -6.685 -0.536 -1.274 1.00 0.00 C ATOM 174 O VAL A 12 -7.158 -1.320 -2.073 1.00 0.00 O ATOM 175 CB VAL A 12 -8.499 0.438 0.133 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.196 1.767 -0.560 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.602 -0.290 -0.628 1.00 0.00 C ATOM 0 H VAL A 12 -5.821 1.055 0.717 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.477 -1.433 0.508 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.822 0.630 1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.094 2.385 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.404 2.287 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.873 1.578 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.501 0.326 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.275 -0.479 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.820 -1.238 -0.135 1.00 0.00 H new ATOM 187 N LEU A 13 -5.697 0.248 -1.609 1.00 0.00 N ATOM 188 CA LEU A 13 -5.138 0.184 -2.990 1.00 0.00 C ATOM 189 C LEU A 13 -4.010 -0.849 -3.058 1.00 0.00 C ATOM 190 O LEU A 13 -3.836 -1.521 -4.054 1.00 0.00 O ATOM 191 CB LEU A 13 -4.597 1.559 -3.385 1.00 0.00 C ATOM 192 CG LEU A 13 -5.731 2.398 -3.975 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.361 3.881 -3.904 1.00 0.00 C ATOM 194 CD2 LEU A 13 -5.954 1.998 -5.436 1.00 0.00 C ATOM 0 H LEU A 13 -5.254 0.927 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.929 -0.111 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.174 2.060 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.793 1.451 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.644 2.224 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.170 4.478 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.202 4.167 -2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.447 4.056 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.762 2.596 -5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.040 2.171 -6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.219 0.942 -5.488 1.00 0.00 H new ATOM 206 N LEU A 14 -3.240 -0.984 -2.014 1.00 0.00 N ATOM 207 CA LEU A 14 -2.128 -1.978 -2.044 1.00 0.00 C ATOM 208 C LEU A 14 -2.703 -3.371 -2.310 1.00 0.00 C ATOM 209 O LEU A 14 -2.374 -4.010 -3.288 1.00 0.00 O ATOM 210 CB LEU A 14 -1.387 -1.977 -0.704 1.00 0.00 C ATOM 211 CG LEU A 14 -1.253 -0.543 -0.185 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.228 -0.504 0.949 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.789 0.379 -1.317 1.00 0.00 C ATOM 0 H LEU A 14 -3.330 -0.454 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.428 -1.711 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.927 -2.587 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.400 -2.424 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.222 -0.205 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.133 0.517 1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.557 -1.154 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.738 -0.847 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.696 1.398 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.177 0.040 -1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.518 0.356 -2.127 1.00 0.00 H new ATOM 225 N LYS A 15 -3.564 -3.844 -1.449 1.00 0.00 N ATOM 226 CA LYS A 15 -4.160 -5.193 -1.661 1.00 0.00 C ATOM 227 C LYS A 15 -4.741 -5.273 -3.074 1.00 0.00 C ATOM 228 O LYS A 15 -4.907 -6.341 -3.629 1.00 0.00 O ATOM 229 CB LYS A 15 -5.275 -5.427 -0.638 1.00 0.00 C ATOM 230 CG LYS A 15 -4.678 -6.023 0.639 1.00 0.00 C ATOM 231 CD LYS A 15 -5.177 -7.459 0.816 1.00 0.00 C ATOM 232 CE LYS A 15 -6.184 -7.512 1.967 1.00 0.00 C ATOM 233 NZ LYS A 15 -5.628 -8.341 3.074 1.00 0.00 N ATOM 0 H LYS A 15 -3.879 -3.356 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.390 -5.955 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.779 -4.487 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.026 -6.101 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.589 -6.009 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.962 -5.420 1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.643 -7.809 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.338 -8.124 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.398 -6.505 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.127 -7.934 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.844 -7.892 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.054 -9.289 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.597 -8.421 2.963 1.00 0.00 H new ATOM 247 N LYS A 16 -5.051 -4.149 -3.659 1.00 0.00 N ATOM 248 CA LYS A 16 -5.621 -4.156 -5.036 1.00 0.00 C ATOM 249 C LYS A 16 -4.527 -4.526 -6.038 1.00 0.00 C ATOM 250 O LYS A 16 -4.705 -5.386 -6.878 1.00 0.00 O ATOM 251 CB LYS A 16 -6.162 -2.764 -5.367 1.00 0.00 C ATOM 252 CG LYS A 16 -7.566 -2.890 -5.959 1.00 0.00 C ATOM 253 CD LYS A 16 -7.464 -3.274 -7.436 1.00 0.00 C ATOM 254 CE LYS A 16 -8.706 -2.779 -8.180 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.160 -3.823 -9.140 1.00 0.00 N ATOM 0 H LYS A 16 -4.934 -3.225 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.429 -4.886 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.189 -2.149 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.501 -2.264 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.135 -3.643 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.103 -1.947 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.567 -2.838 -7.875 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.374 -4.356 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.502 -2.552 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.480 -1.855 -8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.004 -3.486 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.402 -4.019 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.392 -4.694 -8.621 1.00 0.00 H new ATOM 269 N ALA A 17 -3.394 -3.883 -5.958 1.00 0.00 N ATOM 270 CA ALA A 17 -2.290 -4.198 -6.908 1.00 0.00 C ATOM 271 C ALA A 17 -1.967 -5.692 -6.842 1.00 0.00 C ATOM 272 O ALA A 17 -1.973 -6.384 -7.841 1.00 0.00 O ATOM 273 CB ALA A 17 -1.045 -3.391 -6.531 1.00 0.00 C ATOM 0 H ALA A 17 -3.185 -3.154 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.600 -3.938 -7.920 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.238 -3.622 -7.226 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.273 -2.326 -6.580 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.737 -3.650 -5.518 1.00 0.00 H new ATOM 279 N ALA A 18 -1.683 -6.194 -5.672 1.00 0.00 N ATOM 280 CA ALA A 18 -1.358 -7.642 -5.539 1.00 0.00 C ATOM 281 C ALA A 18 -2.463 -8.478 -6.186 1.00 0.00 C ATOM 282 O ALA A 18 -2.413 -8.789 -7.360 1.00 0.00 O ATOM 283 CB ALA A 18 -1.247 -8.004 -4.057 1.00 0.00 C ATOM 0 H ALA A 18 -1.662 -5.663 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.411 -7.848 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.009 -9.063 -3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.458 -7.410 -3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.195 -7.797 -3.560 1.00 0.00 H new ATOM 289 N GLY A 19 -3.459 -8.847 -5.429 1.00 0.00 N ATOM 290 CA GLY A 19 -4.566 -9.666 -5.999 1.00 0.00 C ATOM 291 C GLY A 19 -4.967 -10.748 -4.996 1.00 0.00 C ATOM 292 O GLY A 19 -5.120 -11.903 -5.341 1.00 0.00 O ATOM 0 H GLY A 19 -3.554 -8.617 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.422 -9.031 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.249 -10.123 -6.936 1.00 0.00 H new ATOM 485 N ALA A 33 1.670 -13.362 -0.606 1.00 0.00 N ATOM 486 CA ALA A 33 1.566 -12.460 -1.788 1.00 0.00 C ATOM 487 C ALA A 33 2.730 -11.467 -1.772 1.00 0.00 C ATOM 488 O ALA A 33 2.893 -10.704 -0.841 1.00 0.00 O ATOM 489 CB ALA A 33 0.241 -11.696 -1.731 1.00 0.00 C ATOM 0 HA ALA A 33 1.604 -13.051 -2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.164 -11.036 -2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.588 -12.404 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.202 -11.103 -0.817 1.00 0.00 H new ATOM 495 N THR A 34 3.541 -11.470 -2.794 1.00 0.00 N ATOM 496 CA THR A 34 4.696 -10.529 -2.831 1.00 0.00 C ATOM 497 C THR A 34 4.369 -9.345 -3.744 1.00 0.00 C ATOM 498 O THR A 34 3.882 -9.513 -4.845 1.00 0.00 O ATOM 499 CB THR A 34 5.929 -11.260 -3.369 1.00 0.00 C ATOM 500 OG1 THR A 34 5.515 -12.351 -4.178 1.00 0.00 O ATOM 501 CG2 THR A 34 6.768 -11.779 -2.201 1.00 0.00 C ATOM 0 H THR A 34 3.454 -12.083 -3.605 1.00 0.00 H new ATOM 0 HA THR A 34 4.896 -10.163 -1.824 1.00 0.00 H new ATOM 0 HB THR A 34 6.528 -10.571 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.303 -12.819 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.645 -12.299 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.086 -10.941 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.172 -12.468 -1.602 1.00 0.00 H new ATOM 509 N ILE A 35 4.638 -8.146 -3.299 1.00 0.00 N ATOM 510 CA ILE A 35 4.348 -6.955 -4.146 1.00 0.00 C ATOM 511 C ILE A 35 5.650 -6.218 -4.456 1.00 0.00 C ATOM 512 O ILE A 35 6.307 -5.703 -3.574 1.00 0.00 O ATOM 513 CB ILE A 35 3.402 -6.009 -3.406 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.029 -6.670 -3.262 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.262 -4.709 -4.204 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.028 -5.662 -2.693 1.00 0.00 C ATOM 0 H ILE A 35 5.045 -7.941 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 35 3.881 -7.285 -5.074 1.00 0.00 H new ATOM 0 HB ILE A 35 3.803 -5.790 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.685 -7.031 -4.231 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.099 -7.537 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.588 -4.031 -3.680 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.240 -4.239 -4.309 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.858 -4.930 -5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.052 -6.136 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.369 -5.322 -1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.949 -4.808 -3.366 1.00 0.00 H new ATOM 528 N LYS A 36 6.028 -6.158 -5.703 1.00 0.00 N ATOM 529 CA LYS A 36 7.287 -5.448 -6.061 1.00 0.00 C ATOM 530 C LYS A 36 7.221 -4.013 -5.535 1.00 0.00 C ATOM 531 O LYS A 36 6.156 -3.451 -5.366 1.00 0.00 O ATOM 532 CB LYS A 36 7.450 -5.425 -7.583 1.00 0.00 C ATOM 533 CG LYS A 36 7.179 -6.820 -8.148 1.00 0.00 C ATOM 534 CD LYS A 36 8.235 -7.157 -9.204 1.00 0.00 C ATOM 535 CE LYS A 36 7.625 -7.021 -10.600 1.00 0.00 C ATOM 536 NZ LYS A 36 6.925 -8.287 -10.961 1.00 0.00 N ATOM 0 H LYS A 36 5.521 -6.569 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 36 8.137 -5.965 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.761 -4.703 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.458 -5.104 -7.846 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.201 -7.559 -7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.183 -6.858 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.091 -6.489 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.603 -8.172 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.925 -6.186 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.405 -6.803 -11.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.510 -8.196 -11.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.605 -9.074 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.171 -8.476 -10.270 1.00 0.00 H new ATOM 550 N ARG A 37 8.349 -3.413 -5.279 1.00 0.00 N ATOM 551 CA ARG A 37 8.349 -2.015 -4.769 1.00 0.00 C ATOM 552 C ARG A 37 8.041 -1.076 -5.929 1.00 0.00 C ATOM 553 O ARG A 37 7.556 0.022 -5.749 1.00 0.00 O ATOM 554 CB ARG A 37 9.724 -1.682 -4.202 1.00 0.00 C ATOM 555 CG ARG A 37 9.561 -0.890 -2.904 1.00 0.00 C ATOM 556 CD ARG A 37 9.107 -1.831 -1.787 1.00 0.00 C ATOM 557 NE ARG A 37 10.205 -1.986 -0.790 1.00 0.00 N ATOM 558 CZ ARG A 37 10.188 -1.289 0.314 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.058 0.008 0.266 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.305 -1.892 1.466 1.00 0.00 N ATOM 0 H ARG A 37 9.271 -3.831 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 37 7.600 -1.903 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.283 -2.598 -4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.297 -1.102 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.504 -0.416 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.831 -0.092 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.215 -1.434 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.839 -2.802 -2.202 1.00 0.00 H new ATOM 0 HE ARG A 37 10.970 -2.637 -0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.969 0.479 -0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.045 0.552 1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.409 -2.906 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.292 -1.349 2.329 1.00 0.00 H new ATOM 574 N ASP A 38 8.326 -1.506 -7.123 1.00 0.00 N ATOM 575 CA ASP A 38 8.054 -0.648 -8.307 1.00 0.00 C ATOM 576 C ASP A 38 6.551 -0.369 -8.395 1.00 0.00 C ATOM 577 O ASP A 38 6.117 0.542 -9.071 1.00 0.00 O ATOM 578 CB ASP A 38 8.516 -1.367 -9.576 1.00 0.00 C ATOM 579 CG ASP A 38 9.999 -1.720 -9.450 1.00 0.00 C ATOM 580 OD1 ASP A 38 10.316 -2.588 -8.652 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.794 -1.116 -10.151 1.00 0.00 O ATOM 0 H ASP A 38 8.736 -2.416 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 38 8.595 0.293 -8.208 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.927 -2.272 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.355 -0.731 -10.446 1.00 0.00 H new ATOM 586 N LYS A 39 5.753 -1.149 -7.716 1.00 0.00 N ATOM 587 CA LYS A 39 4.279 -0.930 -7.762 1.00 0.00 C ATOM 588 C LYS A 39 3.812 -0.305 -6.445 1.00 0.00 C ATOM 589 O LYS A 39 3.250 0.772 -6.426 1.00 0.00 O ATOM 590 CB LYS A 39 3.572 -2.271 -7.970 1.00 0.00 C ATOM 591 CG LYS A 39 2.699 -2.200 -9.225 1.00 0.00 C ATOM 592 CD LYS A 39 1.467 -3.087 -9.042 1.00 0.00 C ATOM 593 CE LYS A 39 0.548 -2.942 -10.258 1.00 0.00 C ATOM 594 NZ LYS A 39 -0.753 -3.613 -9.978 1.00 0.00 N ATOM 0 H LYS A 39 6.058 -1.928 -7.132 1.00 0.00 H new ATOM 0 HA LYS A 39 4.037 -0.259 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.307 -3.070 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.959 -2.509 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.394 -1.170 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.268 -2.526 -10.096 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.769 -4.127 -8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.934 -2.804 -8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.385 -1.888 -10.481 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.017 -3.385 -11.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.223 -3.848 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.584 -4.485 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.361 -2.975 -9.426 1.00 0.00 H new ATOM 608 N VAL A 40 4.036 -0.969 -5.345 1.00 0.00 N ATOM 609 CA VAL A 40 3.601 -0.404 -4.037 1.00 0.00 C ATOM 610 C VAL A 40 4.079 1.051 -3.942 1.00 0.00 C ATOM 611 O VAL A 40 3.393 1.910 -3.424 1.00 0.00 O ATOM 612 CB VAL A 40 4.185 -1.261 -2.894 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.424 -0.596 -2.279 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.122 -1.448 -1.811 1.00 0.00 C ATOM 0 H VAL A 40 4.500 -1.876 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 40 2.514 -0.419 -3.953 1.00 0.00 H new ATOM 0 HB VAL A 40 4.482 -2.226 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.813 -1.223 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.189 -0.472 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.151 0.380 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.530 -2.053 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.824 -0.474 -1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.253 -1.950 -2.237 1.00 0.00 H new ATOM 624 N ARG A 41 5.251 1.325 -4.442 1.00 0.00 N ATOM 625 CA ARG A 41 5.785 2.716 -4.391 1.00 0.00 C ATOM 626 C ARG A 41 4.943 3.614 -5.296 1.00 0.00 C ATOM 627 O ARG A 41 4.597 4.721 -4.938 1.00 0.00 O ATOM 628 CB ARG A 41 7.237 2.722 -4.876 1.00 0.00 C ATOM 629 CG ARG A 41 7.950 3.967 -4.342 1.00 0.00 C ATOM 630 CD ARG A 41 7.721 5.137 -5.300 1.00 0.00 C ATOM 631 NE ARG A 41 8.582 4.968 -6.505 1.00 0.00 N ATOM 632 CZ ARG A 41 8.856 5.996 -7.260 1.00 0.00 C ATOM 633 NH1 ARG A 41 7.923 6.528 -8.003 1.00 0.00 N ATOM 634 NH2 ARG A 41 10.061 6.495 -7.272 1.00 0.00 N ATOM 0 H ARG A 41 5.866 0.643 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 41 5.742 3.087 -3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.749 1.822 -4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.267 2.712 -5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.574 4.217 -3.350 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.017 3.771 -4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.672 5.181 -5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.953 6.079 -4.803 1.00 0.00 H new ATOM 0 HE ARG A 41 8.957 4.049 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.980 6.140 -7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.137 7.332 -8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.790 6.081 -6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.274 7.299 -7.863 1.00 0.00 H new ATOM 648 N GLU A 42 4.607 3.146 -6.467 1.00 0.00 N ATOM 649 CA GLU A 42 3.783 3.976 -7.390 1.00 0.00 C ATOM 650 C GLU A 42 2.473 4.348 -6.695 1.00 0.00 C ATOM 651 O GLU A 42 1.879 5.372 -6.970 1.00 0.00 O ATOM 652 CB GLU A 42 3.480 3.179 -8.662 1.00 0.00 C ATOM 653 CG GLU A 42 2.634 4.032 -9.611 1.00 0.00 C ATOM 654 CD GLU A 42 1.400 3.238 -10.045 1.00 0.00 C ATOM 655 OE1 GLU A 42 0.763 2.653 -9.185 1.00 0.00 O ATOM 656 OE2 GLU A 42 1.112 3.230 -11.231 1.00 0.00 O ATOM 0 H GLU A 42 4.867 2.226 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 42 4.328 4.882 -7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.410 2.886 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.949 2.261 -8.411 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.331 4.954 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.222 4.317 -10.483 1.00 0.00 H new ATOM 663 N ILE A 43 2.019 3.522 -5.792 1.00 0.00 N ATOM 664 CA ILE A 43 0.751 3.825 -5.073 1.00 0.00 C ATOM 665 C ILE A 43 0.989 4.970 -4.087 1.00 0.00 C ATOM 666 O ILE A 43 0.423 6.041 -4.210 1.00 0.00 O ATOM 667 CB ILE A 43 0.292 2.581 -4.310 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.116 1.492 -5.307 1.00 0.00 C ATOM 669 CG2 ILE A 43 -0.904 2.938 -3.425 1.00 0.00 C ATOM 670 CD1 ILE A 43 -1.454 1.861 -5.952 1.00 0.00 C ATOM 0 H ILE A 43 2.473 2.649 -5.522 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.017 4.116 -5.790 1.00 0.00 H new ATOM 0 HB ILE A 43 1.108 2.215 -3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.651 1.381 -6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.199 0.532 -4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.231 2.052 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.613 3.713 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.721 3.304 -4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.742 1.085 -6.661 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.218 1.949 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.356 2.812 -6.475 1.00 0.00 H new ATOM 682 N ALA A 44 1.827 4.755 -3.109 1.00 0.00 N ATOM 683 CA ALA A 44 2.105 5.831 -2.117 1.00 0.00 C ATOM 684 C ALA A 44 2.586 7.085 -2.851 1.00 0.00 C ATOM 685 O ALA A 44 2.553 8.178 -2.322 1.00 0.00 O ATOM 686 CB ALA A 44 3.185 5.359 -1.144 1.00 0.00 C ATOM 0 H ALA A 44 2.330 3.881 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 44 1.196 6.062 -1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.389 6.146 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.841 4.465 -0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.096 5.129 -1.696 1.00 0.00 H new ATOM 692 N GLU A 45 3.029 6.934 -4.070 1.00 0.00 N ATOM 693 CA GLU A 45 3.506 8.114 -4.842 1.00 0.00 C ATOM 694 C GLU A 45 2.301 8.832 -5.450 1.00 0.00 C ATOM 695 O GLU A 45 2.248 10.044 -5.501 1.00 0.00 O ATOM 696 CB GLU A 45 4.447 7.652 -5.958 1.00 0.00 C ATOM 697 CG GLU A 45 5.870 8.126 -5.653 1.00 0.00 C ATOM 698 CD GLU A 45 6.206 9.332 -6.532 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.280 9.982 -6.991 1.00 0.00 O ATOM 700 OE2 GLU A 45 7.382 9.586 -6.732 1.00 0.00 O ATOM 0 H GLU A 45 3.081 6.043 -4.564 1.00 0.00 H new ATOM 0 HA GLU A 45 4.043 8.794 -4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.424 6.565 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.116 8.052 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.957 8.394 -4.600 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.580 7.320 -5.836 1.00 0.00 H new ATOM 707 N LEU A 46 1.326 8.089 -5.902 1.00 0.00 N ATOM 708 CA LEU A 46 0.119 8.728 -6.494 1.00 0.00 C ATOM 709 C LEU A 46 -0.522 9.635 -5.444 1.00 0.00 C ATOM 710 O LEU A 46 -0.925 10.747 -5.727 1.00 0.00 O ATOM 711 CB LEU A 46 -0.878 7.646 -6.913 1.00 0.00 C ATOM 712 CG LEU A 46 -0.741 7.378 -8.412 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.542 5.879 -8.646 1.00 0.00 C ATOM 714 CD2 LEU A 46 -2.012 7.839 -9.130 1.00 0.00 C ATOM 0 H LEU A 46 1.315 7.069 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 46 0.400 9.314 -7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.694 6.730 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.894 7.964 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 46 0.118 7.925 -8.802 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.444 5.687 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.361 5.548 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.401 5.333 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.916 7.648 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.870 7.291 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.157 8.906 -8.963 1.00 0.00 H new ATOM 726 N LYS A 47 -0.610 9.169 -4.228 1.00 0.00 N ATOM 727 CA LYS A 47 -1.215 10.000 -3.150 1.00 0.00 C ATOM 728 C LYS A 47 -0.107 10.463 -2.199 1.00 0.00 C ATOM 729 O LYS A 47 -0.272 10.474 -0.995 1.00 0.00 O ATOM 730 CB LYS A 47 -2.242 9.170 -2.378 1.00 0.00 C ATOM 731 CG LYS A 47 -2.962 8.219 -3.338 1.00 0.00 C ATOM 732 CD LYS A 47 -2.577 6.776 -3.009 1.00 0.00 C ATOM 733 CE LYS A 47 -2.941 6.474 -1.555 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.209 7.176 -1.207 1.00 0.00 N ATOM 0 H LYS A 47 -0.288 8.247 -3.935 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.712 10.866 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.747 8.602 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.963 9.827 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.041 8.347 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.693 8.453 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.096 6.088 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.509 6.628 -3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.056 5.399 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.139 6.799 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.628 6.737 -0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.009 8.178 -1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.876 7.103 -2.002 1.00 0.00 H new ATOM 748 N MET A 48 1.021 10.837 -2.736 1.00 0.00 N ATOM 749 CA MET A 48 2.151 11.292 -1.879 1.00 0.00 C ATOM 750 C MET A 48 1.769 12.587 -1.143 1.00 0.00 C ATOM 751 O MET A 48 1.923 12.675 0.059 1.00 0.00 O ATOM 752 CB MET A 48 3.394 11.507 -2.767 1.00 0.00 C ATOM 753 CG MET A 48 4.245 12.675 -2.251 1.00 0.00 C ATOM 754 SD MET A 48 5.889 12.600 -3.001 1.00 0.00 S ATOM 755 CE MET A 48 6.835 12.558 -1.460 1.00 0.00 C ATOM 0 H MET A 48 1.210 10.847 -3.738 1.00 0.00 H new ATOM 0 HA MET A 48 2.376 10.536 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.993 10.597 -2.786 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.082 11.705 -3.793 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.766 13.623 -2.494 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.326 12.628 -1.165 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.825 12.144 -1.652 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.934 13.570 -1.066 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.316 11.935 -0.732 1.00 0.00 H new ATOM 765 N PRO A 49 1.292 13.557 -1.882 1.00 0.00 N ATOM 766 CA PRO A 49 0.896 14.859 -1.314 1.00 0.00 C ATOM 767 C PRO A 49 -0.470 14.761 -0.626 1.00 0.00 C ATOM 768 O PRO A 49 -1.036 15.753 -0.215 1.00 0.00 O ATOM 769 CB PRO A 49 0.826 15.778 -2.536 1.00 0.00 C ATOM 770 CG PRO A 49 0.627 14.857 -3.763 1.00 0.00 C ATOM 771 CD PRO A 49 1.101 13.452 -3.343 1.00 0.00 C ATOM 0 HA PRO A 49 1.589 15.218 -0.553 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.002 16.485 -2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.740 16.364 -2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.420 14.838 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.200 15.220 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.363 12.691 -3.595 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.027 13.177 -3.847 1.00 0.00 H new ATOM 779 N ASP A 50 -1.005 13.578 -0.499 1.00 0.00 N ATOM 780 CA ASP A 50 -2.333 13.434 0.161 1.00 0.00 C ATOM 781 C ASP A 50 -2.195 12.566 1.415 1.00 0.00 C ATOM 782 O ASP A 50 -3.084 12.508 2.240 1.00 0.00 O ATOM 783 CB ASP A 50 -3.315 12.777 -0.810 1.00 0.00 C ATOM 784 CG ASP A 50 -3.966 13.853 -1.681 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.723 15.021 -1.425 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.697 13.491 -2.588 1.00 0.00 O ATOM 0 H ASP A 50 -0.582 12.708 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.704 14.419 0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.794 12.053 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.079 12.230 -0.257 1.00 0.00 H new ATOM 791 N LEU A 51 -1.088 11.890 1.565 1.00 0.00 N ATOM 792 CA LEU A 51 -0.901 11.028 2.767 1.00 0.00 C ATOM 793 C LEU A 51 -0.104 11.793 3.826 1.00 0.00 C ATOM 794 O LEU A 51 0.506 11.209 4.698 1.00 0.00 O ATOM 795 CB LEU A 51 -0.142 9.759 2.372 1.00 0.00 C ATOM 796 CG LEU A 51 -0.897 9.039 1.256 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.096 8.282 0.372 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.891 8.050 1.869 1.00 0.00 C ATOM 0 H LEU A 51 -0.307 11.897 0.909 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.875 10.756 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.864 10.013 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.036 9.103 3.236 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.436 9.770 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.443 7.769 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.804 8.986 -0.065 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.636 7.551 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.430 7.536 1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.352 7.320 2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.600 8.589 2.498 1.00 0.00 H new ATOM 810 N ASN A 52 -0.107 13.096 3.756 1.00 0.00 N ATOM 811 CA ASN A 52 0.648 13.898 4.759 1.00 0.00 C ATOM 812 C ASN A 52 2.073 13.355 4.885 1.00 0.00 C ATOM 813 O ASN A 52 2.673 13.401 5.940 1.00 0.00 O ATOM 814 CB ASN A 52 -0.052 13.807 6.117 1.00 0.00 C ATOM 815 CG ASN A 52 -1.562 13.960 5.926 1.00 0.00 C ATOM 816 OD1 ASN A 52 -2.013 14.436 4.903 1.00 0.00 O ATOM 817 ND2 ASN A 52 -2.370 13.574 6.877 1.00 0.00 N ATOM 0 H ASN A 52 -0.600 13.640 3.047 1.00 0.00 H new ATOM 0 HA ASN A 52 0.684 14.938 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.170 12.850 6.589 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.321 14.585 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.379 13.672 6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.992 13.174 7.736 1.00 0.00 H new ATOM 824 N ALA A 53 2.620 12.839 3.818 1.00 0.00 N ATOM 825 CA ALA A 53 4.006 12.293 3.882 1.00 0.00 C ATOM 826 C ALA A 53 4.999 13.351 3.394 1.00 0.00 C ATOM 827 O ALA A 53 5.079 13.645 2.219 1.00 0.00 O ATOM 828 CB ALA A 53 4.106 11.054 2.990 1.00 0.00 C ATOM 0 H ALA A 53 2.168 12.772 2.906 1.00 0.00 H new ATOM 0 HA ALA A 53 4.241 12.023 4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.119 10.654 3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.401 10.298 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.870 11.326 1.961 1.00 0.00 H new ATOM 834 N ALA A 54 5.759 13.924 4.288 1.00 0.00 N ATOM 835 CA ALA A 54 6.749 14.957 3.872 1.00 0.00 C ATOM 836 C ALA A 54 7.537 14.441 2.666 1.00 0.00 C ATOM 837 O ALA A 54 8.008 15.202 1.844 1.00 0.00 O ATOM 838 CB ALA A 54 7.710 15.239 5.027 1.00 0.00 C ATOM 0 H ALA A 54 5.737 13.721 5.287 1.00 0.00 H new ATOM 0 HA ALA A 54 6.228 15.876 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.434 15.995 4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.148 15.601 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.234 14.322 5.296 1.00 0.00 H new ATOM 844 N SER A 55 7.676 13.149 2.556 1.00 0.00 N ATOM 845 CA SER A 55 8.427 12.569 1.407 1.00 0.00 C ATOM 846 C SER A 55 8.019 11.105 1.234 1.00 0.00 C ATOM 847 O SER A 55 7.187 10.597 1.959 1.00 0.00 O ATOM 848 CB SER A 55 9.929 12.655 1.683 1.00 0.00 C ATOM 849 OG SER A 55 10.170 12.406 3.061 1.00 0.00 O ATOM 0 H SER A 55 7.300 12.467 3.215 1.00 0.00 H new ATOM 0 HA SER A 55 8.198 13.124 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.465 11.929 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.305 13.641 1.409 1.00 0.00 H new ATOM 0 HG SER A 55 11.132 12.459 3.240 1.00 0.00 H new ATOM 855 N ILE A 56 8.593 10.418 0.286 1.00 0.00 N ATOM 856 CA ILE A 56 8.225 8.988 0.087 1.00 0.00 C ATOM 857 C ILE A 56 8.577 8.202 1.349 1.00 0.00 C ATOM 858 O ILE A 56 7.825 7.359 1.796 1.00 0.00 O ATOM 859 CB ILE A 56 8.989 8.421 -1.107 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.363 7.089 -1.524 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.454 8.196 -0.725 1.00 0.00 C ATOM 862 CD1 ILE A 56 7.098 7.356 -2.340 1.00 0.00 C ATOM 0 H ILE A 56 9.297 10.782 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 56 7.155 8.907 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 56 8.937 9.127 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.074 6.509 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.122 6.496 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.995 7.791 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.902 9.144 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.510 7.492 0.105 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.650 6.408 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.387 7.919 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.354 7.932 -3.229 1.00 0.00 H new ATOM 874 N GLU A 57 9.711 8.475 1.933 1.00 0.00 N ATOM 875 CA GLU A 57 10.095 7.747 3.171 1.00 0.00 C ATOM 876 C GLU A 57 8.891 7.710 4.106 1.00 0.00 C ATOM 877 O GLU A 57 8.730 6.804 4.898 1.00 0.00 O ATOM 878 CB GLU A 57 11.254 8.477 3.855 1.00 0.00 C ATOM 879 CG GLU A 57 12.538 8.252 3.057 1.00 0.00 C ATOM 880 CD GLU A 57 13.709 8.936 3.767 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.473 9.561 4.787 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.820 8.823 3.276 1.00 0.00 O ATOM 0 H GLU A 57 10.385 9.168 1.607 1.00 0.00 H new ATOM 0 HA GLU A 57 10.408 6.732 2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.037 9.543 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.378 8.111 4.874 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.734 7.184 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.427 8.652 2.049 1.00 0.00 H new ATOM 889 N ALA A 58 8.039 8.694 4.012 1.00 0.00 N ATOM 890 CA ALA A 58 6.832 8.731 4.882 1.00 0.00 C ATOM 891 C ALA A 58 5.664 8.035 4.176 1.00 0.00 C ATOM 892 O ALA A 58 4.829 7.417 4.805 1.00 0.00 O ATOM 893 CB ALA A 58 6.461 10.186 5.171 1.00 0.00 C ATOM 0 H ALA A 58 8.129 9.478 3.366 1.00 0.00 H new ATOM 0 HA ALA A 58 7.044 8.215 5.818 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.577 10.216 5.808 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.291 10.679 5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.250 10.701 4.234 1.00 0.00 H new ATOM 899 N ALA A 59 5.592 8.136 2.873 1.00 0.00 N ATOM 900 CA ALA A 59 4.467 7.484 2.140 1.00 0.00 C ATOM 901 C ALA A 59 4.714 5.978 2.050 1.00 0.00 C ATOM 902 O ALA A 59 3.985 5.183 2.612 1.00 0.00 O ATOM 903 CB ALA A 59 4.370 8.070 0.730 1.00 0.00 C ATOM 0 H ALA A 59 6.260 8.639 2.289 1.00 0.00 H new ATOM 0 HA ALA A 59 3.535 7.665 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.549 7.594 0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.189 9.143 0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.303 7.891 0.196 1.00 0.00 H new ATOM 909 N MET A 60 5.735 5.576 1.346 1.00 0.00 N ATOM 910 CA MET A 60 6.027 4.123 1.216 1.00 0.00 C ATOM 911 C MET A 60 6.043 3.476 2.603 1.00 0.00 C ATOM 912 O MET A 60 5.880 2.282 2.738 1.00 0.00 O ATOM 913 CB MET A 60 7.390 3.933 0.549 1.00 0.00 C ATOM 914 CG MET A 60 7.671 2.440 0.379 1.00 0.00 C ATOM 915 SD MET A 60 7.903 2.067 -1.377 1.00 0.00 S ATOM 916 CE MET A 60 9.518 2.860 -1.560 1.00 0.00 C ATOM 0 H MET A 60 6.381 6.193 0.854 1.00 0.00 H new ATOM 0 HA MET A 60 5.255 3.653 0.606 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.404 4.429 -0.421 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.170 4.394 1.154 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.561 2.160 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.843 1.855 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.989 2.518 -2.481 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.390 3.942 -1.598 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.150 2.599 -0.711 1.00 0.00 H new ATOM 926 N ARG A 61 6.235 4.252 3.634 1.00 0.00 N ATOM 927 CA ARG A 61 6.256 3.669 5.006 1.00 0.00 C ATOM 928 C ARG A 61 4.870 3.130 5.346 1.00 0.00 C ATOM 929 O ARG A 61 4.719 2.008 5.782 1.00 0.00 O ATOM 930 CB ARG A 61 6.643 4.746 6.019 1.00 0.00 C ATOM 931 CG ARG A 61 7.179 4.080 7.289 1.00 0.00 C ATOM 932 CD ARG A 61 6.273 4.430 8.471 1.00 0.00 C ATOM 933 NE ARG A 61 5.846 3.179 9.159 1.00 0.00 N ATOM 934 CZ ARG A 61 6.065 3.032 10.438 1.00 0.00 C ATOM 935 NH1 ARG A 61 7.171 3.477 10.967 1.00 0.00 N ATOM 936 NH2 ARG A 61 5.176 2.442 11.188 1.00 0.00 N ATOM 0 H ARG A 61 6.378 5.261 3.587 1.00 0.00 H new ATOM 0 HA ARG A 61 6.986 2.860 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.400 5.406 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.778 5.365 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.219 2.999 7.156 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.197 4.415 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.802 5.079 9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.400 4.982 8.123 1.00 0.00 H new ATOM 0 HE ARG A 61 5.383 2.439 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.866 3.940 10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.341 3.362 11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.310 2.095 10.776 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.347 2.327 12.187 1.00 0.00 H new ATOM 950 N MET A 62 3.856 3.921 5.148 1.00 0.00 N ATOM 951 CA MET A 62 2.476 3.454 5.456 1.00 0.00 C ATOM 952 C MET A 62 2.097 2.337 4.482 1.00 0.00 C ATOM 953 O MET A 62 1.266 1.499 4.773 1.00 0.00 O ATOM 954 CB MET A 62 1.497 4.620 5.304 1.00 0.00 C ATOM 955 CG MET A 62 2.026 5.833 6.071 1.00 0.00 C ATOM 956 SD MET A 62 0.822 7.181 5.971 1.00 0.00 S ATOM 957 CE MET A 62 1.967 8.467 5.418 1.00 0.00 C ATOM 0 H MET A 62 3.922 4.872 4.786 1.00 0.00 H new ATOM 0 HA MET A 62 2.434 3.079 6.479 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.372 4.869 4.250 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.515 4.336 5.683 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.206 5.568 7.113 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.981 6.152 5.654 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.572 9.446 5.689 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.936 8.321 5.896 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.084 8.409 4.336 1.00 0.00 H new ATOM 967 N ILE A 63 2.705 2.319 3.328 1.00 0.00 N ATOM 968 CA ILE A 63 2.388 1.260 2.330 1.00 0.00 C ATOM 969 C ILE A 63 3.100 -0.037 2.715 1.00 0.00 C ATOM 970 O ILE A 63 2.643 -1.116 2.407 1.00 0.00 O ATOM 971 CB ILE A 63 2.860 1.712 0.947 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.213 3.055 0.601 1.00 0.00 C ATOM 973 CG2 ILE A 63 2.457 0.671 -0.095 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.710 2.984 0.876 1.00 0.00 C ATOM 0 H ILE A 63 3.410 2.995 3.033 1.00 0.00 H new ATOM 0 HA ILE A 63 1.312 1.088 2.311 1.00 0.00 H new ATOM 0 HB ILE A 63 3.945 1.821 0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.664 3.851 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.391 3.297 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.793 0.993 -1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.917 -0.286 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.372 0.562 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.249 3.941 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.265 2.199 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.543 2.762 1.930 1.00 0.00 H new ATOM 986 N GLU A 64 4.211 0.054 3.387 1.00 0.00 N ATOM 987 CA GLU A 64 4.938 -1.183 3.787 1.00 0.00 C ATOM 988 C GLU A 64 4.294 -1.768 5.046 1.00 0.00 C ATOM 989 O GLU A 64 3.968 -2.937 5.102 1.00 0.00 O ATOM 990 CB GLU A 64 6.405 -0.849 4.068 1.00 0.00 C ATOM 991 CG GLU A 64 7.303 -1.715 3.183 1.00 0.00 C ATOM 992 CD GLU A 64 8.382 -2.376 4.042 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.617 -1.896 5.138 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.957 -3.351 3.588 1.00 0.00 O ATOM 0 H GLU A 64 4.648 0.929 3.677 1.00 0.00 H new ATOM 0 HA GLU A 64 4.884 -1.913 2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.593 0.207 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.634 -1.024 5.119 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.708 -2.476 2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.765 -1.104 2.407 1.00 0.00 H new ATOM 1001 N GLY A 65 4.105 -0.964 6.055 1.00 0.00 N ATOM 1002 CA GLY A 65 3.477 -1.474 7.306 1.00 0.00 C ATOM 1003 C GLY A 65 2.027 -1.864 7.020 1.00 0.00 C ATOM 1004 O GLY A 65 1.547 -2.886 7.469 1.00 0.00 O ATOM 0 H GLY A 65 4.358 0.024 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.031 -2.335 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.514 -0.710 8.083 1.00 0.00 H new ATOM 1008 N THR A 66 1.326 -1.059 6.268 1.00 0.00 N ATOM 1009 CA THR A 66 -0.092 -1.386 5.946 1.00 0.00 C ATOM 1010 C THR A 66 -0.128 -2.570 4.980 1.00 0.00 C ATOM 1011 O THR A 66 -0.993 -3.421 5.056 1.00 0.00 O ATOM 1012 CB THR A 66 -0.760 -0.175 5.292 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.698 0.933 6.178 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.222 -0.503 4.984 1.00 0.00 C ATOM 0 H THR A 66 1.674 -0.190 5.863 1.00 0.00 H new ATOM 0 HA THR A 66 -0.625 -1.643 6.861 1.00 0.00 H new ATOM 0 HB THR A 66 -0.242 0.071 4.365 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.165 1.386 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.698 0.360 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.269 -1.354 4.305 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.743 -0.749 5.910 1.00 0.00 H new ATOM 1022 N ALA A 67 0.809 -2.636 4.073 1.00 0.00 N ATOM 1023 CA ALA A 67 0.830 -3.768 3.106 1.00 0.00 C ATOM 1024 C ALA A 67 1.576 -4.951 3.730 1.00 0.00 C ATOM 1025 O ALA A 67 1.714 -5.997 3.127 1.00 0.00 O ATOM 1026 CB ALA A 67 1.539 -3.326 1.825 1.00 0.00 C ATOM 0 H ALA A 67 1.560 -1.955 3.961 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.190 -4.069 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.556 -4.153 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.006 -2.482 1.387 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.561 -3.028 2.059 1.00 0.00 H new ATOM 1032 N ARG A 68 2.052 -4.794 4.936 1.00 0.00 N ATOM 1033 CA ARG A 68 2.784 -5.906 5.605 1.00 0.00 C ATOM 1034 C ARG A 68 1.974 -6.384 6.814 1.00 0.00 C ATOM 1035 O ARG A 68 2.210 -7.446 7.352 1.00 0.00 O ATOM 1036 CB ARG A 68 4.153 -5.403 6.069 1.00 0.00 C ATOM 1037 CG ARG A 68 4.783 -6.423 7.021 1.00 0.00 C ATOM 1038 CD ARG A 68 4.682 -5.907 8.458 1.00 0.00 C ATOM 1039 NE ARG A 68 4.620 -7.062 9.397 1.00 0.00 N ATOM 1040 CZ ARG A 68 5.713 -7.692 9.731 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.533 -7.160 10.596 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.987 -8.850 9.198 1.00 0.00 N ATOM 0 H ARG A 68 1.965 -3.940 5.488 1.00 0.00 H new ATOM 0 HA ARG A 68 2.920 -6.733 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.803 -5.244 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.047 -4.441 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.275 -7.383 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.827 -6.589 6.755 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.542 -5.280 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.794 -5.285 8.571 1.00 0.00 H new ATOM 0 HE ARG A 68 3.723 -7.361 9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.319 -6.253 11.010 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.388 -7.652 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.347 -9.264 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.841 -9.342 9.459 1.00 0.00 H new ATOM 1056 N SER A 69 1.018 -5.603 7.240 1.00 0.00 N ATOM 1057 CA SER A 69 0.188 -6.008 8.410 1.00 0.00 C ATOM 1058 C SER A 69 -0.854 -7.034 7.966 1.00 0.00 C ATOM 1059 O SER A 69 -1.323 -7.837 8.749 1.00 0.00 O ATOM 1060 CB SER A 69 -0.520 -4.778 8.980 1.00 0.00 C ATOM 1061 OG SER A 69 -1.032 -3.994 7.910 1.00 0.00 O ATOM 0 H SER A 69 0.776 -4.702 6.828 1.00 0.00 H new ATOM 0 HA SER A 69 0.828 -6.448 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.330 -5.084 9.642 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.175 -4.189 9.578 1.00 0.00 H new ATOM 0 HG SER A 69 -1.488 -3.205 8.271 1.00 0.00 H new ATOM 1067 N MET A 70 -1.223 -7.016 6.715 1.00 0.00 N ATOM 1068 CA MET A 70 -2.236 -7.991 6.222 1.00 0.00 C ATOM 1069 C MET A 70 -1.548 -9.318 5.898 1.00 0.00 C ATOM 1070 O MET A 70 -2.145 -10.373 5.978 1.00 0.00 O ATOM 1071 CB MET A 70 -2.902 -7.440 4.961 1.00 0.00 C ATOM 1072 CG MET A 70 -3.009 -5.917 5.063 1.00 0.00 C ATOM 1073 SD MET A 70 -4.533 -5.364 4.259 1.00 0.00 S ATOM 1074 CE MET A 70 -3.870 -3.842 3.540 1.00 0.00 C ATOM 0 H MET A 70 -0.867 -6.368 6.013 1.00 0.00 H new ATOM 0 HA MET A 70 -2.992 -8.151 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.322 -7.716 4.080 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.893 -7.877 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.005 -5.611 6.109 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.145 -5.449 4.591 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.611 -3.402 2.872 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.634 -3.136 4.336 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.965 -4.070 2.977 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.296 -9.274 5.534 1.00 0.00 N ATOM 1085 CA GLY A 71 0.429 -10.534 5.205 1.00 0.00 C ATOM 1086 C GLY A 71 1.195 -10.356 3.895 1.00 0.00 C ATOM 1087 O GLY A 71 2.028 -11.164 3.535 1.00 0.00 O ATOM 0 H GLY A 71 0.256 -8.421 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.118 -10.790 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.277 -11.359 5.116 1.00 0.00 H new ATOM 1091 N ILE A 72 0.919 -9.302 3.175 1.00 0.00 N ATOM 1092 CA ILE A 72 1.629 -9.073 1.887 1.00 0.00 C ATOM 1093 C ILE A 72 3.030 -8.524 2.162 1.00 0.00 C ATOM 1094 O ILE A 72 3.238 -7.758 3.081 1.00 0.00 O ATOM 1095 CB ILE A 72 0.853 -8.058 1.049 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.552 -8.593 0.764 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.585 -7.825 -0.273 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.525 -7.419 0.646 1.00 0.00 C ATOM 0 H ILE A 72 0.232 -8.590 3.424 1.00 0.00 H new ATOM 0 HA ILE A 72 1.704 -10.017 1.348 1.00 0.00 H new ATOM 0 HB ILE A 72 0.778 -7.119 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.552 -9.175 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.868 -9.263 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.033 -7.101 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.586 -7.442 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.659 -8.766 -0.818 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.527 -7.796 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.531 -6.856 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.211 -6.767 -0.169 1.00 0.00 H new ATOM 1110 N VAL A 73 3.991 -8.902 1.367 1.00 0.00 N ATOM 1111 CA VAL A 73 5.371 -8.390 1.578 1.00 0.00 C ATOM 1112 C VAL A 73 5.695 -7.367 0.486 1.00 0.00 C ATOM 1113 O VAL A 73 4.861 -7.038 -0.333 1.00 0.00 O ATOM 1114 CB VAL A 73 6.367 -9.562 1.535 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.826 -9.830 0.098 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.582 -9.222 2.400 1.00 0.00 C ATOM 0 H VAL A 73 3.880 -9.543 0.581 1.00 0.00 H new ATOM 0 HA VAL A 73 5.447 -7.907 2.552 1.00 0.00 H new ATOM 0 HB VAL A 73 5.873 -10.456 1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.530 -10.662 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.963 -10.079 -0.519 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.313 -8.940 -0.301 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.291 -10.050 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.061 -8.321 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.261 -9.053 3.428 1.00 0.00 H new ATOM 1126 N VAL A 74 6.895 -6.863 0.464 1.00 0.00 N ATOM 1127 CA VAL A 74 7.255 -5.865 -0.578 1.00 0.00 C ATOM 1128 C VAL A 74 8.718 -6.074 -0.990 1.00 0.00 C ATOM 1129 O VAL A 74 9.602 -6.138 -0.158 1.00 0.00 O ATOM 1130 CB VAL A 74 7.028 -4.448 -0.012 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.351 -3.806 0.428 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.362 -3.576 -1.080 1.00 0.00 C ATOM 0 H VAL A 74 7.640 -7.098 1.120 1.00 0.00 H new ATOM 0 HA VAL A 74 6.630 -5.988 -1.463 1.00 0.00 H new ATOM 0 HB VAL A 74 6.382 -4.526 0.863 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.158 -2.808 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.813 -4.419 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.023 -3.734 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.200 -2.574 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.007 -3.519 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.404 -4.014 -1.362 1.00 0.00 H new ATOM 1142 N GLU A 75 8.981 -6.185 -2.262 1.00 0.00 N ATOM 1143 CA GLU A 75 10.384 -6.393 -2.715 1.00 0.00 C ATOM 1144 C GLU A 75 11.123 -5.055 -2.718 1.00 0.00 C ATOM 1145 O GLU A 75 10.542 -4.014 -2.489 1.00 0.00 O ATOM 1146 CB GLU A 75 10.384 -6.980 -4.128 1.00 0.00 C ATOM 1147 CG GLU A 75 10.753 -8.464 -4.064 1.00 0.00 C ATOM 1148 CD GLU A 75 11.608 -8.831 -5.279 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.202 -8.509 -6.384 1.00 0.00 O ATOM 1150 OE2 GLU A 75 12.653 -9.429 -5.084 1.00 0.00 O ATOM 0 H GLU A 75 8.286 -6.141 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 75 10.885 -7.083 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.402 -6.858 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.096 -6.444 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.300 -8.674 -3.145 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.850 -9.074 -4.044 1.00 0.00 H new ATOM 1157 N ASP A 76 12.401 -5.072 -2.975 1.00 0.00 N ATOM 1158 CA ASP A 76 13.177 -3.800 -2.992 1.00 0.00 C ATOM 1159 C ASP A 76 14.184 -3.833 -4.143 1.00 0.00 C ATOM 1160 O ASP A 76 15.371 -3.780 -3.868 1.00 0.00 O ATOM 1161 CB ASP A 76 13.922 -3.638 -1.665 1.00 0.00 C ATOM 1162 CG ASP A 76 14.373 -5.010 -1.161 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.613 -5.872 -1.988 1.00 0.00 O ATOM 1164 OD2 ASP A 76 14.471 -5.174 0.044 1.00 0.00 O ATOM 1165 OXT ASP A 76 13.751 -3.909 -5.282 1.00 0.00 O ATOM 0 H ASP A 76 12.943 -5.913 -3.174 1.00 0.00 H new ATOM 0 HA ASP A 76 12.496 -2.960 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.785 -2.986 -1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.274 -3.163 -0.928 1.00 0.00 H new