USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 561 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 35 GLN : amide:sc= -4.31 K(o=-4.8,f=-7.4!) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 14 MET CE :methyl 165:sc= -0.0417 (180deg=-0.342) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -2.08 (180deg=-2.63!) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc=-0.00878 (180deg=-0.129) USER MOD Single : A 17 TYR OH : rot -92:sc= 1.94 USER MOD Single : A 20 THR OG1 : rot -44:sc= 0.00217 USER MOD Single : A 27 LYS NZ :NH3+ -157:sc=-0.00704 (180deg=-0.593) USER MOD Single : A 30 ASN : amide:sc= -3.53! C(o=-3.5!,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ 167:sc= 0.283 (180deg=0.179) USER MOD Single : A 33 THR OG1 : rot 163:sc= 0.108 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.71 K(o=-1.7,f=-2.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.511! C(o=-0.51!,f=-4.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.4!) USER MOD Single : A 74 GLN : amide:sc= -0.0805 K(o=-0.08,f=-1.5!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= -0.0889 (180deg=-0.41) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 11 4.263 -11.739 -0.602 1.00 0.00 N ATOM 119 CA LEU A 11 3.375 -11.015 0.301 1.00 0.00 C ATOM 120 C LEU A 11 4.079 -10.693 1.616 1.00 0.00 C ATOM 121 O LEU A 11 4.088 -9.546 2.061 1.00 0.00 O ATOM 122 CB LEU A 11 2.112 -11.834 0.573 1.00 0.00 C ATOM 123 CG LEU A 11 0.978 -11.676 -0.440 1.00 0.00 C ATOM 124 CD1 LEU A 11 -0.235 -12.489 -0.015 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.609 -10.208 -0.601 1.00 0.00 C ATOM 0 HA LEU A 11 3.096 -10.077 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.389 -12.887 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.733 -11.563 1.558 1.00 0.00 H new ATOM 0 HG LEU A 11 1.322 -12.052 -1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.032 -12.364 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.037 -13.542 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.581 -12.144 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.200 -10.113 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.285 -9.807 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.478 -9.651 -0.952 1.00 0.00 H new ATOM 137 N GLU A 12 4.670 -11.714 2.230 1.00 0.00 N ATOM 138 CA GLU A 12 5.378 -11.539 3.492 1.00 0.00 C ATOM 139 C GLU A 12 6.388 -10.399 3.396 1.00 0.00 C ATOM 140 O GLU A 12 6.256 -9.380 4.074 1.00 0.00 O ATOM 141 CB GLU A 12 6.090 -12.834 3.888 1.00 0.00 C ATOM 142 CG GLU A 12 5.148 -13.921 4.379 1.00 0.00 C ATOM 143 CD GLU A 12 4.468 -13.557 5.685 1.00 0.00 C ATOM 144 OE1 GLU A 12 5.106 -12.881 6.518 1.00 0.00 O ATOM 145 OE2 GLU A 12 3.298 -13.950 5.873 1.00 0.00 O ATOM 0 H GLU A 12 4.672 -12.670 1.874 1.00 0.00 H new ATOM 0 HA GLU A 12 4.644 -11.288 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.648 -13.209 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.817 -12.615 4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.390 -14.110 3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.706 -14.848 4.510 1.00 0.00 H new ATOM 152 N ASP A 13 7.396 -10.581 2.550 1.00 0.00 N ATOM 153 CA ASP A 13 8.430 -9.569 2.364 1.00 0.00 C ATOM 154 C ASP A 13 7.811 -8.183 2.209 1.00 0.00 C ATOM 155 O ASP A 13 8.238 -7.226 2.854 1.00 0.00 O ATOM 156 CB ASP A 13 9.283 -9.900 1.139 1.00 0.00 C ATOM 157 CG ASP A 13 8.660 -9.406 -0.151 1.00 0.00 C ATOM 158 OD1 ASP A 13 8.700 -8.182 -0.400 1.00 0.00 O ATOM 159 OD2 ASP A 13 8.133 -10.242 -0.914 1.00 0.00 O ATOM 0 H ASP A 13 7.519 -11.419 1.982 1.00 0.00 H new ATOM 0 HA ASP A 13 9.066 -9.567 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.271 -9.454 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.426 -10.979 1.080 1.00 0.00 H new ATOM 164 N MET A 14 6.804 -8.083 1.348 1.00 0.00 N ATOM 165 CA MET A 14 6.126 -6.814 1.108 1.00 0.00 C ATOM 166 C MET A 14 5.878 -6.074 2.419 1.00 0.00 C ATOM 167 O MET A 14 6.399 -4.979 2.634 1.00 0.00 O ATOM 168 CB MET A 14 4.800 -7.048 0.382 1.00 0.00 C ATOM 169 CG MET A 14 4.092 -5.764 -0.019 1.00 0.00 C ATOM 170 SD MET A 14 2.575 -6.068 -0.944 1.00 0.00 S ATOM 171 CE MET A 14 1.556 -6.829 0.317 1.00 0.00 C ATOM 0 H MET A 14 6.439 -8.865 0.805 1.00 0.00 H new ATOM 0 HA MET A 14 6.771 -6.199 0.480 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.984 -7.646 -0.511 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.141 -7.631 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.858 -5.188 0.876 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.765 -5.156 -0.623 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.516 -6.833 -0.009 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.888 -7.854 0.484 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.643 -6.264 1.245 1.00 0.00 H new ATOM 181 N LYS A 15 5.080 -6.678 3.292 1.00 0.00 N ATOM 182 CA LYS A 15 4.763 -6.077 4.582 1.00 0.00 C ATOM 183 C LYS A 15 5.950 -5.284 5.119 1.00 0.00 C ATOM 184 O LYS A 15 5.832 -4.095 5.415 1.00 0.00 O ATOM 185 CB LYS A 15 4.363 -7.160 5.587 1.00 0.00 C ATOM 186 CG LYS A 15 2.872 -7.449 5.608 1.00 0.00 C ATOM 187 CD LYS A 15 2.507 -8.567 4.645 1.00 0.00 C ATOM 188 CE LYS A 15 2.493 -9.919 5.341 1.00 0.00 C ATOM 189 NZ LYS A 15 3.734 -10.150 6.130 1.00 0.00 N ATOM 0 H LYS A 15 4.640 -7.584 3.130 1.00 0.00 H new ATOM 0 HA LYS A 15 3.926 -5.393 4.441 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.899 -8.079 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.679 -6.853 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.568 -7.724 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.322 -6.546 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.527 -8.370 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.221 -8.588 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.627 -9.979 6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.383 -10.709 4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.772 -11.144 6.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.564 -9.936 5.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.734 -9.532 6.966 1.00 0.00 H new ATOM 203 N LYS A 16 7.093 -5.949 5.242 1.00 0.00 N ATOM 204 CA LYS A 16 8.303 -5.306 5.740 1.00 0.00 C ATOM 205 C LYS A 16 8.594 -4.022 4.970 1.00 0.00 C ATOM 206 O LYS A 16 8.580 -2.930 5.538 1.00 0.00 O ATOM 207 CB LYS A 16 9.495 -6.260 5.630 1.00 0.00 C ATOM 208 CG LYS A 16 9.552 -7.293 6.743 1.00 0.00 C ATOM 209 CD LYS A 16 10.887 -8.018 6.762 1.00 0.00 C ATOM 210 CE LYS A 16 11.156 -8.654 8.117 1.00 0.00 C ATOM 211 NZ LYS A 16 11.497 -7.637 9.150 1.00 0.00 N ATOM 0 H LYS A 16 7.207 -6.934 5.003 1.00 0.00 H new ATOM 0 HA LYS A 16 8.144 -5.052 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.451 -6.774 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.417 -5.679 5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.389 -6.804 7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.746 -8.015 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.896 -8.787 5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.687 -7.317 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.277 -9.215 8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.974 -9.368 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.900 -8.111 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.192 -6.968 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.637 -7.121 9.427 1.00 0.00 H new ATOM 225 N TYR A 17 8.856 -4.161 3.675 1.00 0.00 N ATOM 226 CA TYR A 17 9.151 -3.012 2.828 1.00 0.00 C ATOM 227 C TYR A 17 8.015 -1.994 2.875 1.00 0.00 C ATOM 228 O TYR A 17 8.169 -0.900 3.416 1.00 0.00 O ATOM 229 CB TYR A 17 9.388 -3.462 1.386 1.00 0.00 C ATOM 230 CG TYR A 17 9.707 -2.326 0.441 1.00 0.00 C ATOM 231 CD1 TYR A 17 11.010 -1.871 0.285 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.704 -1.707 -0.296 1.00 0.00 C ATOM 233 CE1 TYR A 17 11.306 -0.833 -0.577 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.992 -0.669 -1.161 1.00 0.00 C ATOM 235 CZ TYR A 17 10.294 -0.235 -1.298 1.00 0.00 C ATOM 236 OH TYR A 17 10.583 0.800 -2.157 1.00 0.00 O ATOM 0 H TYR A 17 8.870 -5.058 3.189 1.00 0.00 H new ATOM 0 HA TYR A 17 10.056 -2.537 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.209 -4.179 1.368 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.501 -3.984 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.806 -2.337 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.683 -2.043 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.325 -0.492 -0.686 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.201 -0.200 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 17 10.496 1.653 -1.682 1.00 0.00 H new ATOM 246 N ALA A 18 6.874 -2.366 2.304 1.00 0.00 N ATOM 247 CA ALA A 18 5.710 -1.488 2.282 1.00 0.00 C ATOM 248 C ALA A 18 5.617 -0.667 3.564 1.00 0.00 C ATOM 249 O ALA A 18 5.589 0.562 3.523 1.00 0.00 O ATOM 250 CB ALA A 18 4.440 -2.301 2.081 1.00 0.00 C ATOM 0 H ALA A 18 6.731 -3.269 1.851 1.00 0.00 H new ATOM 0 HA ALA A 18 5.823 -0.797 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.579 -1.633 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.498 -2.839 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.332 -3.015 2.898 1.00 0.00 H new ATOM 256 N GLU A 19 5.568 -1.356 4.700 1.00 0.00 N ATOM 257 CA GLU A 19 5.477 -0.689 5.994 1.00 0.00 C ATOM 258 C GLU A 19 6.595 0.336 6.158 1.00 0.00 C ATOM 259 O GLU A 19 6.354 1.543 6.147 1.00 0.00 O ATOM 260 CB GLU A 19 5.540 -1.715 7.127 1.00 0.00 C ATOM 261 CG GLU A 19 4.965 -1.209 8.439 1.00 0.00 C ATOM 262 CD GLU A 19 4.927 -2.280 9.511 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.043 -3.159 9.441 1.00 0.00 O ATOM 264 OE2 GLU A 19 5.781 -2.239 10.421 1.00 0.00 O ATOM 0 H GLU A 19 5.590 -2.375 4.751 1.00 0.00 H new ATOM 0 HA GLU A 19 4.521 -0.168 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.999 -2.611 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.578 -2.007 7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.561 -0.368 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.956 -0.835 8.269 1.00 0.00 H new ATOM 271 N THR A 20 7.822 -0.155 6.310 1.00 0.00 N ATOM 272 CA THR A 20 8.978 0.717 6.478 1.00 0.00 C ATOM 273 C THR A 20 9.127 1.667 5.295 1.00 0.00 C ATOM 274 O THR A 20 9.917 2.610 5.340 1.00 0.00 O ATOM 275 CB THR A 20 10.276 -0.097 6.635 1.00 0.00 C ATOM 276 OG1 THR A 20 11.249 0.667 7.357 1.00 0.00 O ATOM 277 CG2 THR A 20 10.838 -0.488 5.276 1.00 0.00 C ATOM 0 H THR A 20 8.040 -1.151 6.320 1.00 0.00 H new ATOM 0 HA THR A 20 8.808 1.296 7.386 1.00 0.00 H new ATOM 0 HB THR A 20 10.044 -1.006 7.190 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.256 1.588 7.022 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.754 -1.062 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.107 -1.094 4.741 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.056 0.411 4.700 1.00 0.00 H new ATOM 285 N PHE A 21 8.363 1.412 4.238 1.00 0.00 N ATOM 286 CA PHE A 21 8.411 2.246 3.042 1.00 0.00 C ATOM 287 C PHE A 21 7.377 3.366 3.119 1.00 0.00 C ATOM 288 O PHE A 21 7.515 4.399 2.462 1.00 0.00 O ATOM 289 CB PHE A 21 8.168 1.397 1.793 1.00 0.00 C ATOM 290 CG PHE A 21 8.149 2.194 0.520 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.330 2.511 -0.131 1.00 0.00 C ATOM 292 CD2 PHE A 21 6.951 2.626 -0.024 1.00 0.00 C ATOM 293 CE1 PHE A 21 9.316 3.245 -1.302 1.00 0.00 C ATOM 294 CE2 PHE A 21 6.930 3.361 -1.195 1.00 0.00 C ATOM 295 CZ PHE A 21 8.114 3.670 -1.835 1.00 0.00 C ATOM 0 H PHE A 21 7.704 0.635 4.185 1.00 0.00 H new ATOM 0 HA PHE A 21 9.403 2.694 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.945 0.636 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.218 0.874 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.272 2.181 0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.022 2.386 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.244 3.486 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.989 3.693 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.101 4.243 -2.750 1.00 0.00 H new ATOM 305 N LEU A 22 6.342 3.154 3.924 1.00 0.00 N ATOM 306 CA LEU A 22 5.284 4.144 4.087 1.00 0.00 C ATOM 307 C LEU A 22 5.243 4.668 5.519 1.00 0.00 C ATOM 308 O LEU A 22 4.402 5.497 5.863 1.00 0.00 O ATOM 309 CB LEU A 22 3.930 3.539 3.715 1.00 0.00 C ATOM 310 CG LEU A 22 3.859 2.835 2.359 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.654 1.909 2.300 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.807 3.854 1.231 1.00 0.00 C ATOM 0 H LEU A 22 6.213 2.305 4.474 1.00 0.00 H new ATOM 0 HA LEU A 22 5.497 4.979 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.649 2.824 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.184 4.333 3.729 1.00 0.00 H new ATOM 0 HG LEU A 22 4.759 2.233 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.620 1.417 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.734 1.157 3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.742 2.489 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.757 3.335 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.925 4.483 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.702 4.475 1.260 1.00 0.00 H new ATOM 324 N GLU A 23 6.159 4.178 6.349 1.00 0.00 N ATOM 325 CA GLU A 23 6.228 4.597 7.744 1.00 0.00 C ATOM 326 C GLU A 23 6.150 6.117 7.859 1.00 0.00 C ATOM 327 O GLU A 23 5.290 6.670 8.544 1.00 0.00 O ATOM 328 CB GLU A 23 7.520 4.091 8.388 1.00 0.00 C ATOM 329 CG GLU A 23 7.368 2.750 9.085 1.00 0.00 C ATOM 330 CD GLU A 23 8.579 2.387 9.923 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.400 3.285 10.201 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.704 1.203 10.301 1.00 0.00 O ATOM 0 H GLU A 23 6.863 3.491 6.080 1.00 0.00 H new ATOM 0 HA GLU A 23 5.376 4.166 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.290 4.007 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.869 4.829 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.484 2.774 9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.202 1.974 8.338 1.00 0.00 H new ATOM 339 N PRO A 24 7.072 6.810 7.173 1.00 0.00 N ATOM 340 CA PRO A 24 7.130 8.275 7.182 1.00 0.00 C ATOM 341 C PRO A 24 5.958 8.905 6.437 1.00 0.00 C ATOM 342 O PRO A 24 5.789 10.125 6.447 1.00 0.00 O ATOM 343 CB PRO A 24 8.447 8.582 6.466 1.00 0.00 C ATOM 344 CG PRO A 24 8.690 7.398 5.595 1.00 0.00 C ATOM 345 CD PRO A 24 8.128 6.217 6.336 1.00 0.00 C ATOM 0 HA PRO A 24 7.075 8.680 8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.374 9.497 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.261 8.724 7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.203 7.519 4.627 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.755 7.267 5.402 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.726 5.468 5.653 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.889 5.722 6.940 1.00 0.00 H new ATOM 353 N TRP A 25 5.154 8.068 5.792 1.00 0.00 N ATOM 354 CA TRP A 25 3.998 8.545 5.042 1.00 0.00 C ATOM 355 C TRP A 25 2.698 8.144 5.731 1.00 0.00 C ATOM 356 O TRP A 25 1.634 8.690 5.437 1.00 0.00 O ATOM 357 CB TRP A 25 4.025 7.991 3.616 1.00 0.00 C ATOM 358 CG TRP A 25 4.791 8.852 2.659 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.411 10.068 2.166 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.067 8.562 2.078 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.374 10.551 1.313 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.401 9.647 1.242 1.00 0.00 C ATOM 363 CE3 TRP A 25 6.961 7.494 2.183 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.589 9.690 0.518 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.140 7.538 1.463 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.446 8.630 0.640 1.00 0.00 C ATOM 0 H TRP A 25 5.281 7.056 5.773 1.00 0.00 H new ATOM 0 HA TRP A 25 4.046 9.633 5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.466 6.994 3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.002 7.882 3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.489 10.575 2.411 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.331 11.439 0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.735 6.648 2.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.826 10.530 -0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.837 6.717 1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.376 8.635 0.091 1.00 0.00 H new ATOM 377 N PHE A 26 2.791 7.189 6.650 1.00 0.00 N ATOM 378 CA PHE A 26 1.621 6.715 7.381 1.00 0.00 C ATOM 379 C PHE A 26 1.892 6.688 8.882 1.00 0.00 C ATOM 380 O PHE A 26 1.055 7.104 9.684 1.00 0.00 O ATOM 381 CB PHE A 26 1.223 5.318 6.898 1.00 0.00 C ATOM 382 CG PHE A 26 0.528 5.320 5.567 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.476 6.236 5.296 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.878 4.405 4.587 1.00 0.00 C ATOM 385 CE1 PHE A 26 -1.117 6.240 4.072 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.240 4.404 3.361 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.760 5.322 3.103 1.00 0.00 C ATOM 0 H PHE A 26 3.664 6.728 6.906 1.00 0.00 H new ATOM 0 HA PHE A 26 0.800 7.406 7.190 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.116 4.697 6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.570 4.858 7.639 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.761 6.955 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.658 3.684 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.897 6.960 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.523 3.686 2.605 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.261 5.322 2.146 1.00 0.00 H new ATOM 397 N LYS A 27 3.069 6.196 9.256 1.00 0.00 N ATOM 398 CA LYS A 27 3.453 6.115 10.661 1.00 0.00 C ATOM 399 C LYS A 27 3.851 7.487 11.196 1.00 0.00 C ATOM 400 O LYS A 27 4.576 8.233 10.539 1.00 0.00 O ATOM 401 CB LYS A 27 4.611 5.131 10.838 1.00 0.00 C ATOM 402 CG LYS A 27 4.634 4.457 12.199 1.00 0.00 C ATOM 403 CD LYS A 27 5.995 3.852 12.499 1.00 0.00 C ATOM 404 CE LYS A 27 6.896 4.839 13.225 1.00 0.00 C ATOM 405 NZ LYS A 27 7.725 5.634 12.276 1.00 0.00 N ATOM 0 H LYS A 27 3.773 5.847 8.606 1.00 0.00 H new ATOM 0 HA LYS A 27 2.592 5.759 11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.548 4.366 10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.552 5.660 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.380 5.184 12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.873 3.677 12.233 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.870 2.956 13.107 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.469 3.541 11.568 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.286 5.513 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.547 4.299 13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.569 5.992 12.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.017 5.031 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.168 6.435 11.916 1.00 0.00 H new ATOM 419 N ALA A 28 3.374 7.811 12.393 1.00 0.00 N ATOM 420 CA ALA A 28 3.684 9.092 13.017 1.00 0.00 C ATOM 421 C ALA A 28 5.151 9.458 12.821 1.00 0.00 C ATOM 422 O ALA A 28 6.001 8.603 12.570 1.00 0.00 O ATOM 423 CB ALA A 28 3.342 9.052 14.499 1.00 0.00 C ATOM 0 H ALA A 28 2.772 7.205 12.950 1.00 0.00 H new ATOM 0 HA ALA A 28 3.078 9.859 12.535 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.578 10.014 14.953 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.279 8.844 14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.923 8.269 14.986 1.00 0.00 H new ATOM 429 N PRO A 29 5.458 10.758 12.936 1.00 0.00 N ATOM 430 CA PRO A 29 4.455 11.785 13.233 1.00 0.00 C ATOM 431 C PRO A 29 3.496 12.013 12.069 1.00 0.00 C ATOM 432 O PRO A 29 2.567 12.813 12.167 1.00 0.00 O ATOM 433 CB PRO A 29 5.295 13.039 13.488 1.00 0.00 C ATOM 434 CG PRO A 29 6.558 12.809 12.731 1.00 0.00 C ATOM 435 CD PRO A 29 6.808 11.327 12.784 1.00 0.00 C ATOM 0 HA PRO A 29 3.820 11.503 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.783 13.936 13.140 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.490 13.175 14.552 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.464 13.152 11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.386 13.361 13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.295 10.969 11.877 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.454 11.058 13.620 1.00 0.00 H new ATOM 443 N ASN A 30 3.729 11.305 10.969 1.00 0.00 N ATOM 444 CA ASN A 30 2.885 11.430 9.786 1.00 0.00 C ATOM 445 C ASN A 30 1.592 10.638 9.953 1.00 0.00 C ATOM 446 O ASN A 30 1.554 9.634 10.666 1.00 0.00 O ATOM 447 CB ASN A 30 3.637 10.946 8.545 1.00 0.00 C ATOM 448 CG ASN A 30 5.112 11.297 8.588 1.00 0.00 C ATOM 449 OD1 ASN A 30 5.919 10.562 9.157 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.470 12.425 7.985 1.00 0.00 N ATOM 0 H ASN A 30 4.495 10.639 10.872 1.00 0.00 H new ATOM 0 HA ASN A 30 2.631 12.483 9.661 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.526 9.865 8.455 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.187 11.388 7.656 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.449 12.713 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.766 13.003 7.526 1.00 0.00 H new ATOM 457 N LYS A 31 0.535 11.095 9.291 1.00 0.00 N ATOM 458 CA LYS A 31 -0.760 10.429 9.363 1.00 0.00 C ATOM 459 C LYS A 31 -1.760 11.081 8.414 1.00 0.00 C ATOM 460 O LYS A 31 -1.556 12.205 7.957 1.00 0.00 O ATOM 461 CB LYS A 31 -1.298 10.470 10.795 1.00 0.00 C ATOM 462 CG LYS A 31 -1.198 11.839 11.444 1.00 0.00 C ATOM 463 CD LYS A 31 -2.266 12.032 12.507 1.00 0.00 C ATOM 464 CE LYS A 31 -3.560 12.561 11.908 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.500 13.044 12.957 1.00 0.00 N ATOM 0 H LYS A 31 0.550 11.925 8.698 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.624 9.390 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.341 10.155 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.749 9.749 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.212 11.959 11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.298 12.612 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.457 11.083 13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.904 12.726 13.266 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.335 13.375 11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.039 11.774 11.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.264 13.592 12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.906 12.230 13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.988 13.648 13.631 1.00 0.00 H new ATOM 479 N GLY A 32 -2.844 10.367 8.122 1.00 0.00 N ATOM 480 CA GLY A 32 -3.860 10.893 7.229 1.00 0.00 C ATOM 481 C GLY A 32 -4.564 9.803 6.446 1.00 0.00 C ATOM 482 O GLY A 32 -4.617 8.651 6.878 1.00 0.00 O ATOM 0 H GLY A 32 -3.036 9.434 8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.595 11.452 7.809 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.400 11.596 6.534 1.00 0.00 H new ATOM 486 N THR A 33 -5.109 10.166 5.289 1.00 0.00 N ATOM 487 CA THR A 33 -5.816 9.212 4.444 1.00 0.00 C ATOM 488 C THR A 33 -4.992 8.850 3.214 1.00 0.00 C ATOM 489 O THR A 33 -3.985 9.494 2.918 1.00 0.00 O ATOM 490 CB THR A 33 -7.180 9.766 3.991 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.999 11.002 3.291 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.100 9.981 5.182 1.00 0.00 C ATOM 0 H THR A 33 -5.074 11.115 4.916 1.00 0.00 H new ATOM 0 HA THR A 33 -5.978 8.317 5.045 1.00 0.00 H new ATOM 0 HB THR A 33 -7.640 9.036 3.325 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.807 11.208 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.057 10.373 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.260 9.032 5.694 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.644 10.693 5.870 1.00 0.00 H new ATOM 500 N PHE A 34 -5.426 7.818 2.499 1.00 0.00 N ATOM 501 CA PHE A 34 -4.728 7.371 1.299 1.00 0.00 C ATOM 502 C PHE A 34 -5.631 6.491 0.440 1.00 0.00 C ATOM 503 O PHE A 34 -6.731 6.124 0.853 1.00 0.00 O ATOM 504 CB PHE A 34 -3.460 6.602 1.678 1.00 0.00 C ATOM 505 CG PHE A 34 -3.697 5.515 2.687 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.106 5.823 3.974 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.510 4.184 2.347 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.326 4.824 4.905 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.728 3.182 3.273 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.135 3.502 4.554 1.00 0.00 C ATOM 0 H PHE A 34 -6.258 7.275 2.730 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.452 8.252 0.720 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.028 6.164 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.725 7.302 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.255 6.855 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.191 3.928 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.647 5.077 5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.580 2.149 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.303 2.720 5.279 1.00 0.00 H new ATOM 520 N GLN A 35 -5.159 6.159 -0.757 1.00 0.00 N ATOM 521 CA GLN A 35 -5.924 5.324 -1.675 1.00 0.00 C ATOM 522 C GLN A 35 -5.028 4.285 -2.341 1.00 0.00 C ATOM 523 O GLN A 35 -4.191 4.619 -3.179 1.00 0.00 O ATOM 524 CB GLN A 35 -6.601 6.189 -2.740 1.00 0.00 C ATOM 525 CG GLN A 35 -5.650 7.144 -3.442 1.00 0.00 C ATOM 526 CD GLN A 35 -6.362 8.073 -4.407 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.129 9.282 -4.409 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.236 7.511 -5.233 1.00 0.00 N ATOM 0 H GLN A 35 -4.251 6.455 -1.114 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.689 4.802 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.065 5.540 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.402 6.764 -2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.121 7.737 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.899 6.570 -3.984 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.398 6.505 -5.197 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.746 8.086 -5.904 1.00 0.00 H new ATOM 537 N ILE A 36 -5.211 3.024 -1.963 1.00 0.00 N ATOM 538 CA ILE A 36 -4.420 1.936 -2.524 1.00 0.00 C ATOM 539 C ILE A 36 -5.012 1.448 -3.842 1.00 0.00 C ATOM 540 O ILE A 36 -6.225 1.273 -3.962 1.00 0.00 O ATOM 541 CB ILE A 36 -4.321 0.749 -1.548 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.535 1.152 -0.298 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.669 -0.444 -2.229 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.629 0.145 0.826 1.00 0.00 C ATOM 0 H ILE A 36 -5.900 2.731 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.421 2.333 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.328 0.463 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.487 1.288 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.901 2.115 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.606 -1.275 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.266 -0.742 -3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.667 -0.172 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.048 0.496 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.671 0.026 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.235 -0.814 0.489 1.00 0.00 H new ATOM 556 N VAL A 37 -4.149 1.229 -4.828 1.00 0.00 N ATOM 557 CA VAL A 37 -4.586 0.758 -6.136 1.00 0.00 C ATOM 558 C VAL A 37 -3.681 -0.357 -6.650 1.00 0.00 C ATOM 559 O VAL A 37 -2.470 -0.177 -6.780 1.00 0.00 O ATOM 560 CB VAL A 37 -4.607 1.902 -7.167 1.00 0.00 C ATOM 561 CG1 VAL A 37 -4.969 1.373 -8.546 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.576 2.991 -6.733 1.00 0.00 C ATOM 0 H VAL A 37 -3.142 1.370 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.598 0.373 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.609 2.336 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.979 2.196 -9.260 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.232 0.632 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.956 0.911 -8.511 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.579 3.792 -7.473 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.579 2.573 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.266 3.390 -5.767 1.00 0.00 H new ATOM 572 N TYR A 38 -4.277 -1.508 -6.940 1.00 0.00 N ATOM 573 CA TYR A 38 -3.525 -2.654 -7.438 1.00 0.00 C ATOM 574 C TYR A 38 -3.292 -2.541 -8.941 1.00 0.00 C ATOM 575 O TYR A 38 -4.238 -2.505 -9.728 1.00 0.00 O ATOM 576 CB TYR A 38 -4.266 -3.954 -7.121 1.00 0.00 C ATOM 577 CG TYR A 38 -3.602 -5.185 -7.695 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.437 -5.695 -7.136 1.00 0.00 C ATOM 579 CD2 TYR A 38 -4.140 -5.838 -8.797 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.827 -6.819 -7.658 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.538 -6.964 -9.325 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.381 -7.450 -8.752 1.00 0.00 C ATOM 583 OH TYR A 38 -1.777 -8.571 -9.274 1.00 0.00 O ATOM 0 H TYR A 38 -5.279 -1.672 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.556 -2.665 -6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.343 -4.064 -6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.283 -3.886 -7.508 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.001 -5.204 -6.279 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.045 -5.459 -9.249 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.921 -7.202 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.971 -7.461 -10.181 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.294 -8.894 -10.041 1.00 0.00 H new ATOM 593 N LYS A 39 -2.024 -2.486 -9.334 1.00 0.00 N ATOM 594 CA LYS A 39 -1.663 -2.380 -10.743 1.00 0.00 C ATOM 595 C LYS A 39 -0.752 -3.530 -11.160 1.00 0.00 C ATOM 596 O LYS A 39 0.400 -3.609 -10.732 1.00 0.00 O ATOM 597 CB LYS A 39 -0.969 -1.042 -11.013 1.00 0.00 C ATOM 598 CG LYS A 39 -1.819 0.166 -10.660 1.00 0.00 C ATOM 599 CD LYS A 39 -1.244 1.443 -11.249 1.00 0.00 C ATOM 600 CE LYS A 39 -1.595 1.584 -12.723 1.00 0.00 C ATOM 601 NZ LYS A 39 -0.862 2.711 -13.362 1.00 0.00 N ATOM 0 H LYS A 39 -1.229 -2.513 -8.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.579 -2.434 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.041 -1.002 -10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.698 -0.989 -12.067 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.834 0.019 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.885 0.262 -9.576 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.626 2.303 -10.699 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.161 1.444 -11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.359 0.656 -13.243 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.668 1.743 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.128 2.774 -14.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.107 3.601 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.162 2.547 -13.285 1.00 0.00 H new ATOM 760 N GLU A 49 -6.825 -8.519 -4.353 1.00 0.00 N ATOM 761 CA GLU A 49 -7.503 -8.246 -3.091 1.00 0.00 C ATOM 762 C GLU A 49 -6.560 -8.457 -1.910 1.00 0.00 C ATOM 763 O GLU A 49 -6.282 -7.528 -1.152 1.00 0.00 O ATOM 764 CB GLU A 49 -8.733 -9.144 -2.943 1.00 0.00 C ATOM 765 CG GLU A 49 -9.823 -8.856 -3.961 1.00 0.00 C ATOM 766 CD GLU A 49 -10.552 -7.556 -3.683 1.00 0.00 C ATOM 767 OE1 GLU A 49 -10.042 -6.491 -4.087 1.00 0.00 O ATOM 768 OE2 GLU A 49 -11.634 -7.604 -3.060 1.00 0.00 O ATOM 0 HA GLU A 49 -7.822 -7.204 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.425 -10.185 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.143 -9.022 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.383 -8.815 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.540 -9.677 -3.962 1.00 0.00 H new ATOM 775 N GLU A 50 -6.074 -9.685 -1.760 1.00 0.00 N ATOM 776 CA GLU A 50 -5.164 -10.018 -0.671 1.00 0.00 C ATOM 777 C GLU A 50 -4.089 -8.946 -0.512 1.00 0.00 C ATOM 778 O GLU A 50 -3.765 -8.535 0.602 1.00 0.00 O ATOM 779 CB GLU A 50 -4.509 -11.378 -0.921 1.00 0.00 C ATOM 780 CG GLU A 50 -5.288 -12.545 -0.338 1.00 0.00 C ATOM 781 CD GLU A 50 -6.600 -12.789 -1.059 1.00 0.00 C ATOM 782 OE1 GLU A 50 -7.611 -12.163 -0.678 1.00 0.00 O ATOM 783 OE2 GLU A 50 -6.615 -13.606 -2.004 1.00 0.00 O ATOM 0 H GLU A 50 -6.295 -10.465 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.745 -10.066 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.398 -11.526 -1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.506 -11.373 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.677 -13.446 -0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.487 -12.353 0.716 1.00 0.00 H new ATOM 790 N VAL A 51 -3.540 -8.496 -1.636 1.00 0.00 N ATOM 791 CA VAL A 51 -2.502 -7.472 -1.623 1.00 0.00 C ATOM 792 C VAL A 51 -3.041 -6.151 -1.085 1.00 0.00 C ATOM 793 O VAL A 51 -2.587 -5.659 -0.052 1.00 0.00 O ATOM 794 CB VAL A 51 -1.923 -7.242 -3.032 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.953 -6.070 -3.026 1.00 0.00 C ATOM 796 CG2 VAL A 51 -1.244 -8.504 -3.541 1.00 0.00 C ATOM 0 H VAL A 51 -3.797 -8.824 -2.567 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.709 -7.832 -0.967 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.743 -7.000 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.554 -5.923 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.475 -5.168 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.134 -6.279 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.841 -8.324 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.434 -8.779 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.970 -9.316 -3.585 1.00 0.00 H new ATOM 806 N ILE A 52 -4.011 -5.582 -1.793 1.00 0.00 N ATOM 807 CA ILE A 52 -4.613 -4.319 -1.385 1.00 0.00 C ATOM 808 C ILE A 52 -5.119 -4.389 0.052 1.00 0.00 C ATOM 809 O ILE A 52 -4.563 -3.754 0.948 1.00 0.00 O ATOM 810 CB ILE A 52 -5.780 -3.927 -2.310 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.302 -3.837 -3.761 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.388 -2.605 -1.865 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.420 -3.944 -4.774 1.00 0.00 C ATOM 0 H ILE A 52 -4.396 -5.976 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.833 -3.561 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.548 -4.698 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.781 -2.890 -3.905 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.578 -4.630 -3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.212 -2.342 -2.529 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.760 -2.701 -0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.628 -1.824 -1.902 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.007 -3.872 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.926 -4.902 -4.657 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.133 -3.135 -4.616 1.00 0.00 H new ATOM 825 N ARG A 53 -6.176 -5.167 0.263 1.00 0.00 N ATOM 826 CA ARG A 53 -6.757 -5.321 1.591 1.00 0.00 C ATOM 827 C ARG A 53 -5.674 -5.292 2.666 1.00 0.00 C ATOM 828 O ARG A 53 -5.787 -4.569 3.655 1.00 0.00 O ATOM 829 CB ARG A 53 -7.542 -6.631 1.679 1.00 0.00 C ATOM 830 CG ARG A 53 -8.641 -6.753 0.635 1.00 0.00 C ATOM 831 CD ARG A 53 -9.745 -5.734 0.866 1.00 0.00 C ATOM 832 NE ARG A 53 -9.485 -4.478 0.168 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.387 -3.512 0.032 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.602 -3.658 0.543 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.075 -2.397 -0.616 1.00 0.00 N ATOM 0 H ARG A 53 -6.647 -5.700 -0.468 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.436 -4.486 1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.851 -7.467 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.984 -6.714 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.217 -6.612 -0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.061 -7.758 0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.696 -6.147 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.843 -5.541 1.934 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.560 -4.334 -0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.846 -4.514 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.292 -2.915 0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.142 -2.281 -1.011 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.769 -1.656 -0.720 1.00 0.00 H new ATOM 849 N GLU A 54 -4.626 -6.084 2.463 1.00 0.00 N ATOM 850 CA GLU A 54 -3.523 -6.150 3.415 1.00 0.00 C ATOM 851 C GLU A 54 -2.805 -4.807 3.510 1.00 0.00 C ATOM 852 O GLU A 54 -2.810 -4.159 4.557 1.00 0.00 O ATOM 853 CB GLU A 54 -2.533 -7.243 3.008 1.00 0.00 C ATOM 854 CG GLU A 54 -2.876 -8.614 3.566 1.00 0.00 C ATOM 855 CD GLU A 54 -4.333 -8.980 3.361 1.00 0.00 C ATOM 856 OE1 GLU A 54 -5.198 -8.359 4.013 1.00 0.00 O ATOM 857 OE2 GLU A 54 -4.607 -9.887 2.547 1.00 0.00 O ATOM 0 H GLU A 54 -4.517 -6.688 1.649 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.936 -6.391 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.497 -7.302 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.535 -6.962 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.246 -9.364 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.646 -8.636 4.631 1.00 0.00 H new ATOM 864 N LEU A 55 -2.187 -4.395 2.408 1.00 0.00 N ATOM 865 CA LEU A 55 -1.463 -3.129 2.365 1.00 0.00 C ATOM 866 C LEU A 55 -2.147 -2.081 3.238 1.00 0.00 C ATOM 867 O LEU A 55 -1.488 -1.335 3.961 1.00 0.00 O ATOM 868 CB LEU A 55 -1.364 -2.624 0.925 1.00 0.00 C ATOM 869 CG LEU A 55 -0.322 -3.312 0.043 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.714 -3.214 -1.423 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.055 -2.704 0.270 1.00 0.00 C ATOM 0 H LEU A 55 -2.173 -4.919 1.533 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.459 -3.299 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.341 -2.736 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.142 -1.557 0.950 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.282 -4.366 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.040 -3.709 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.679 -3.697 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.784 -2.165 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.784 -3.206 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.029 -1.642 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.339 -2.827 1.315 1.00 0.00 H new ATOM 883 N ALA A 56 -3.473 -2.032 3.165 1.00 0.00 N ATOM 884 CA ALA A 56 -4.247 -1.079 3.951 1.00 0.00 C ATOM 885 C ALA A 56 -4.296 -1.489 5.419 1.00 0.00 C ATOM 886 O ALA A 56 -4.045 -0.678 6.309 1.00 0.00 O ATOM 887 CB ALA A 56 -5.655 -0.951 3.389 1.00 0.00 C ATOM 0 H ALA A 56 -4.034 -2.641 2.569 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.753 -0.109 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.221 -0.236 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.605 -0.603 2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.149 -1.922 3.421 1.00 0.00 H new ATOM 893 N GLY A 57 -4.622 -2.755 5.664 1.00 0.00 N ATOM 894 CA GLY A 57 -4.699 -3.250 7.026 1.00 0.00 C ATOM 895 C GLY A 57 -3.441 -2.961 7.820 1.00 0.00 C ATOM 896 O GLY A 57 -3.480 -2.877 9.048 1.00 0.00 O ATOM 0 H GLY A 57 -4.834 -3.446 4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.554 -2.795 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.875 -4.326 7.009 1.00 0.00 H new ATOM 900 N ILE A 58 -2.322 -2.810 7.120 1.00 0.00 N ATOM 901 CA ILE A 58 -1.048 -2.529 7.768 1.00 0.00 C ATOM 902 C ILE A 58 -0.927 -1.052 8.128 1.00 0.00 C ATOM 903 O ILE A 58 -0.711 -0.700 9.287 1.00 0.00 O ATOM 904 CB ILE A 58 0.140 -2.925 6.870 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.107 -4.427 6.577 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.455 -2.538 7.530 1.00 0.00 C ATOM 907 CD1 ILE A 58 0.701 -4.794 5.235 1.00 0.00 C ATOM 0 H ILE A 58 -2.272 -2.878 6.103 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.020 -3.126 8.679 1.00 0.00 H new ATOM 0 HB ILE A 58 0.058 -2.387 5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.650 -4.954 7.362 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.926 -4.774 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.285 -2.824 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.477 -1.460 7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.547 -3.052 8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.644 -5.873 5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.144 -4.295 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.744 -4.478 5.200 1.00 0.00 H new ATOM 919 N VAL A 59 -1.071 -0.191 7.125 1.00 0.00 N ATOM 920 CA VAL A 59 -0.981 1.249 7.336 1.00 0.00 C ATOM 921 C VAL A 59 -1.526 1.639 8.706 1.00 0.00 C ATOM 922 O VAL A 59 -0.975 2.511 9.379 1.00 0.00 O ATOM 923 CB VAL A 59 -1.751 2.024 6.250 1.00 0.00 C ATOM 924 CG1 VAL A 59 -1.866 3.494 6.623 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.073 1.861 4.898 1.00 0.00 C ATOM 0 H VAL A 59 -1.250 -0.466 6.159 1.00 0.00 H new ATOM 0 HA VAL A 59 0.075 1.512 7.280 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.758 1.612 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.413 4.025 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.399 3.589 7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.869 3.923 6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.630 2.415 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.055 2.246 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.048 0.805 4.629 1.00 0.00 H new ATOM 935 N CYS A 60 -2.610 0.988 9.112 1.00 0.00 N ATOM 936 CA CYS A 60 -3.231 1.267 10.402 1.00 0.00 C ATOM 937 C CYS A 60 -2.246 1.028 11.542 1.00 0.00 C ATOM 938 O CYS A 60 -2.024 1.903 12.380 1.00 0.00 O ATOM 939 CB CYS A 60 -4.472 0.395 10.593 1.00 0.00 C ATOM 940 SG CYS A 60 -5.526 0.903 11.972 1.00 0.00 S ATOM 0 H CYS A 60 -3.077 0.263 8.567 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.528 2.316 10.416 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.060 0.412 9.675 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.157 -0.637 10.751 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.550 0.107 12.052 1.00 0.00 H new ATOM 946 N THR A 61 -1.658 -0.164 11.569 1.00 0.00 N ATOM 947 CA THR A 61 -0.699 -0.520 12.607 1.00 0.00 C ATOM 948 C THR A 61 0.295 0.610 12.848 1.00 0.00 C ATOM 949 O THR A 61 0.733 0.836 13.977 1.00 0.00 O ATOM 950 CB THR A 61 0.075 -1.801 12.241 1.00 0.00 C ATOM 951 OG1 THR A 61 0.511 -2.467 13.432 1.00 0.00 O ATOM 952 CG2 THR A 61 1.277 -1.476 11.368 1.00 0.00 C ATOM 0 H THR A 61 -1.829 -0.899 10.883 1.00 0.00 H new ATOM 0 HA THR A 61 -1.270 -0.698 13.518 1.00 0.00 H new ATOM 0 HB THR A 61 -0.594 -2.456 11.682 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.001 -3.281 13.191 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.808 -2.396 11.123 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.940 -0.995 10.450 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.946 -0.804 11.905 1.00 0.00 H new ATOM 960 N LEU A 62 0.649 1.318 11.781 1.00 0.00 N ATOM 961 CA LEU A 62 1.592 2.426 11.877 1.00 0.00 C ATOM 962 C LEU A 62 1.029 3.547 12.745 1.00 0.00 C ATOM 963 O LEU A 62 1.642 3.946 13.734 1.00 0.00 O ATOM 964 CB LEU A 62 1.923 2.963 10.483 1.00 0.00 C ATOM 965 CG LEU A 62 2.335 1.920 9.443 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.279 2.512 8.043 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.728 1.388 9.744 1.00 0.00 C ATOM 0 H LEU A 62 0.297 1.144 10.840 1.00 0.00 H new ATOM 0 HA LEU A 62 2.505 2.054 12.343 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.052 3.499 10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.729 3.691 10.578 1.00 0.00 H new ATOM 0 HG LEU A 62 1.632 1.088 9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.575 1.756 7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.263 2.843 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.959 3.362 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.004 0.647 8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.444 2.210 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.735 0.925 10.731 1.00 0.00 H new ATOM 979 N ASN A 63 -0.143 4.049 12.368 1.00 0.00 N ATOM 980 CA ASN A 63 -0.790 5.122 13.113 1.00 0.00 C ATOM 981 C ASN A 63 -2.307 4.963 13.089 1.00 0.00 C ATOM 982 O ASN A 63 -2.920 4.916 12.023 1.00 0.00 O ATOM 983 CB ASN A 63 -0.399 6.483 12.531 1.00 0.00 C ATOM 984 CG ASN A 63 -0.390 7.579 13.579 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.063 7.478 14.605 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.375 8.634 13.325 1.00 0.00 N ATOM 0 H ASN A 63 -0.663 3.730 11.551 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.453 5.066 14.148 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.589 6.410 12.077 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.096 6.749 11.737 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.422 9.403 13.993 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.916 8.675 12.461 1.00 0.00 H new ATOM 993 N SER A 64 -2.906 4.882 14.273 1.00 0.00 N ATOM 994 CA SER A 64 -4.351 4.725 14.389 1.00 0.00 C ATOM 995 C SER A 64 -5.080 5.844 13.650 1.00 0.00 C ATOM 996 O SER A 64 -6.207 5.666 13.190 1.00 0.00 O ATOM 997 CB SER A 64 -4.768 4.714 15.861 1.00 0.00 C ATOM 998 OG SER A 64 -4.580 5.987 16.454 1.00 0.00 O ATOM 0 H SER A 64 -2.413 4.923 15.165 1.00 0.00 H new ATOM 0 HA SER A 64 -4.626 3.773 13.934 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.815 4.422 15.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.186 3.968 16.402 1.00 0.00 H new ATOM 0 HG SER A 64 -4.855 5.954 17.394 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.427 6.997 13.542 1.00 0.00 N ATOM 1005 CA GLU A 65 -5.013 8.145 12.861 1.00 0.00 C ATOM 1006 C GLU A 65 -5.140 7.882 11.363 1.00 0.00 C ATOM 1007 O GLU A 65 -5.894 8.559 10.666 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.164 9.396 13.100 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.192 9.884 14.539 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.597 10.169 15.031 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.297 9.209 15.415 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.998 11.352 15.032 1.00 0.00 O ATOM 0 H GLU A 65 -3.493 7.160 13.917 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.010 8.308 13.270 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.133 9.185 12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.517 10.195 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.731 9.134 15.182 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.591 10.789 14.623 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.396 6.895 10.876 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.424 6.542 9.462 1.00 0.00 C ATOM 1021 C ASN A 66 -5.784 5.971 9.070 1.00 0.00 C ATOM 1022 O ASN A 66 -6.308 5.075 9.734 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.322 5.529 9.145 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.937 6.140 9.220 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.763 7.342 9.014 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.941 5.313 9.517 1.00 0.00 N ATOM 0 H ASN A 66 -3.766 6.325 11.440 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.251 7.450 8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.387 4.695 9.844 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.483 5.122 8.147 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.013 5.667 9.582 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.131 4.324 9.680 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.350 6.494 7.988 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.648 6.036 7.506 1.00 0.00 C ATOM 1035 C LYS A 67 -7.707 6.075 5.982 1.00 0.00 C ATOM 1036 O LYS A 67 -7.814 7.145 5.383 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.767 6.899 8.093 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.157 6.509 9.508 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.086 5.306 9.519 1.00 0.00 C ATOM 1040 CE LYS A 67 -10.746 5.125 10.877 1.00 0.00 C ATOM 1041 NZ LYS A 67 -12.049 4.411 10.770 1.00 0.00 N ATOM 0 H LYS A 67 -5.930 7.236 7.428 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.785 5.005 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.451 7.942 8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.645 6.828 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.260 6.282 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.646 7.352 9.997 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.853 5.430 8.754 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.523 4.408 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.079 4.567 11.533 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.903 6.100 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.467 4.307 11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.695 4.956 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.896 3.470 10.354 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.637 4.902 5.361 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.685 4.803 3.907 1.00 0.00 C ATOM 1057 C VAL A 68 -8.996 5.358 3.361 1.00 0.00 C ATOM 1058 O VAL A 68 -10.073 4.845 3.663 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.523 3.345 3.438 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.528 2.444 4.140 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.675 3.251 1.927 1.00 0.00 C ATOM 0 H VAL A 68 -7.547 4.007 5.842 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.855 5.395 3.522 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.521 3.006 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.399 1.418 3.796 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.367 2.489 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.540 2.779 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.558 2.214 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.664 3.608 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.913 3.864 1.446 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.897 6.410 2.556 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.075 7.035 1.966 1.00 0.00 C ATOM 1073 C ASP A 69 -10.005 6.997 0.443 1.00 0.00 C ATOM 1074 O ASP A 69 -8.926 7.094 -0.143 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.206 8.481 2.446 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.644 8.961 2.453 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.366 8.685 1.472 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -12.047 9.613 3.439 1.00 0.00 O ATOM 0 H ASP A 69 -8.013 6.848 2.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.952 6.473 2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.793 8.566 3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.613 9.130 1.802 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.162 6.853 -0.194 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.233 6.800 -1.650 1.00 0.00 C ATOM 1085 C LEU A 70 -11.939 8.032 -2.206 1.00 0.00 C ATOM 1086 O LEU A 70 -12.138 8.155 -3.415 1.00 0.00 O ATOM 1087 CB LEU A 70 -11.963 5.533 -2.100 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.407 4.213 -1.566 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.312 3.055 -1.958 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -9.992 3.984 -2.079 1.00 0.00 C ATOM 0 H LEU A 70 -12.064 6.771 0.275 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.214 6.782 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.007 5.613 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.948 5.496 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.373 4.269 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.900 2.124 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.307 3.214 -1.542 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.378 2.997 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.612 3.040 -1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.001 3.949 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.348 4.799 -1.747 1.00 0.00 H new ATOM 1102 N THR A 71 -12.315 8.945 -1.315 1.00 0.00 N ATOM 1103 CA THR A 71 -12.997 10.169 -1.716 1.00 0.00 C ATOM 1104 C THR A 71 -12.060 11.369 -1.650 1.00 0.00 C ATOM 1105 O THR A 71 -11.944 12.131 -2.608 1.00 0.00 O ATOM 1106 CB THR A 71 -14.227 10.442 -0.829 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.093 9.302 -0.827 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.989 11.663 -1.322 1.00 0.00 C ATOM 0 H THR A 71 -12.158 8.859 -0.311 1.00 0.00 H new ATOM 0 HA THR A 71 -13.325 10.025 -2.746 1.00 0.00 H new ATOM 0 HB THR A 71 -13.880 10.635 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.871 9.483 -0.260 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.853 11.836 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.336 12.535 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.325 11.494 -2.345 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.392 11.529 -0.512 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.463 12.638 -0.321 1.00 0.00 C ATOM 1118 C ASN A 72 -9.125 12.140 0.216 1.00 0.00 C ATOM 1119 O ASN A 72 -8.659 12.558 1.276 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.059 13.670 0.638 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.893 14.713 -0.079 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.784 14.883 -1.294 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.731 15.419 0.671 1.00 0.00 N ATOM 0 H ASN A 72 -11.476 10.906 0.291 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.293 13.108 -1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.677 13.160 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.254 14.164 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.317 16.136 0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.788 15.244 1.674 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.490 11.225 -0.532 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.196 10.652 -0.152 1.00 0.00 C ATOM 1132 C PRO A 73 -6.061 11.664 -0.252 1.00 0.00 C ATOM 1133 O PRO A 73 -5.945 12.384 -1.243 1.00 0.00 O ATOM 1134 CB PRO A 73 -6.997 9.523 -1.166 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.802 9.932 -2.351 1.00 0.00 C ATOM 1136 CD PRO A 73 -8.987 10.682 -1.807 1.00 0.00 C ATOM 0 HA PRO A 73 -7.187 10.318 0.886 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.945 9.404 -1.424 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.337 8.568 -0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.217 10.561 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.121 9.062 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.307 11.474 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.844 10.025 -1.657 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.225 11.714 0.781 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.099 12.640 0.808 1.00 0.00 C ATOM 1146 C GLN A 74 -2.871 12.023 0.146 1.00 0.00 C ATOM 1147 O GLN A 74 -2.112 12.709 -0.537 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.772 13.036 2.249 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.687 14.115 2.805 1.00 0.00 C ATOM 1150 CD GLN A 74 -4.099 14.811 4.017 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -2.880 14.911 4.159 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -4.964 15.296 4.900 1.00 0.00 N ATOM 0 H GLN A 74 -5.306 11.124 1.609 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.381 13.532 0.249 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.838 12.152 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.741 13.386 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.886 14.853 2.028 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.645 13.670 3.075 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.966 15.191 4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.626 15.774 5.736 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.683 10.725 0.355 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.545 10.016 -0.219 1.00 0.00 C ATOM 1163 C TYR A 75 -2.007 8.798 -1.013 1.00 0.00 C ATOM 1164 O TYR A 75 -2.651 7.897 -0.475 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.579 9.582 0.885 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.191 10.701 1.824 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.787 11.623 1.472 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.804 10.838 3.064 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.145 12.646 2.328 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.454 11.859 3.925 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.522 12.761 3.553 1.00 0.00 C ATOM 1172 OH TYR A 75 0.875 13.780 4.408 1.00 0.00 O ATOM 0 H TYR A 75 -3.303 10.142 0.917 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.030 10.696 -0.898 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.037 8.778 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.322 9.174 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.276 11.538 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.567 10.133 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.909 13.353 2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -0.941 11.951 4.884 1.00 0.00 H new ATOM 0 HH TYR A 75 0.341 13.719 5.227 1.00 0.00 H new ATOM 1182 N THR A 76 -1.673 8.778 -2.300 1.00 0.00 N ATOM 1183 CA THR A 76 -2.052 7.672 -3.171 1.00 0.00 C ATOM 1184 C THR A 76 -0.932 6.644 -3.274 1.00 0.00 C ATOM 1185 O THR A 76 0.132 6.923 -3.828 1.00 0.00 O ATOM 1186 CB THR A 76 -2.411 8.168 -4.585 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.535 9.053 -4.523 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.729 6.999 -5.504 1.00 0.00 C ATOM 0 H THR A 76 -1.141 9.515 -2.762 1.00 0.00 H new ATOM 0 HA THR A 76 -2.930 7.205 -2.724 1.00 0.00 H new ATOM 0 HB THR A 76 -1.551 8.702 -4.988 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.756 9.365 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.979 7.374 -6.496 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.861 6.343 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.575 6.441 -5.103 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.177 5.452 -2.739 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.189 4.381 -2.772 1.00 0.00 C ATOM 1198 C VAL A 77 -0.559 3.324 -3.806 1.00 0.00 C ATOM 1199 O VAL A 77 -1.410 2.470 -3.560 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.044 3.707 -1.395 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.991 4.435 -0.550 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.387 3.659 -0.682 1.00 0.00 C ATOM 0 H VAL A 77 -2.052 5.204 -2.277 1.00 0.00 H new ATOM 0 HA VAL A 77 0.762 4.837 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 77 0.299 2.683 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.080 3.944 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.955 4.413 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.680 5.470 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.266 3.180 0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.761 4.673 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.097 3.090 -1.282 1.00 0.00 H new ATOM 1212 N VAL A 78 0.087 3.387 -4.967 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.173 2.435 -6.039 1.00 0.00 C ATOM 1214 C VAL A 78 0.894 1.347 -6.079 1.00 0.00 C ATOM 1215 O VAL A 78 2.067 1.603 -5.806 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.229 3.134 -7.410 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.271 4.242 -7.402 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.140 3.681 -7.785 1.00 0.00 C ATOM 0 H VAL A 78 0.794 4.088 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.142 1.982 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.520 2.400 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.296 4.725 -8.379 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.251 3.819 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.014 4.978 -6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.082 4.172 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.462 4.401 -7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.858 2.862 -7.834 1.00 0.00 H new ATOM 1228 N VAL A 79 0.480 0.131 -6.421 1.00 0.00 N ATOM 1229 CA VAL A 79 1.401 -0.997 -6.498 1.00 0.00 C ATOM 1230 C VAL A 79 1.478 -1.547 -7.918 1.00 0.00 C ATOM 1231 O VAL A 79 0.574 -2.248 -8.371 1.00 0.00 O ATOM 1232 CB VAL A 79 0.984 -2.129 -5.542 1.00 0.00 C ATOM 1233 CG1 VAL A 79 1.154 -1.696 -4.094 1.00 0.00 C ATOM 1234 CG2 VAL A 79 -0.451 -2.554 -5.815 1.00 0.00 C ATOM 0 H VAL A 79 -0.487 -0.098 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 79 2.382 -0.626 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 79 1.633 -2.987 -5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.854 -2.509 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.199 -1.445 -3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.531 -0.823 -3.900 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.730 -3.355 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.117 -1.703 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.536 -2.909 -6.842 1.00 0.00 H new ATOM 1244 N GLU A 80 2.564 -1.225 -8.614 1.00 0.00 N ATOM 1245 CA GLU A 80 2.758 -1.688 -9.983 1.00 0.00 C ATOM 1246 C GLU A 80 3.641 -2.932 -10.017 1.00 0.00 C ATOM 1247 O GLU A 80 4.586 -3.057 -9.237 1.00 0.00 O ATOM 1248 CB GLU A 80 3.383 -0.582 -10.835 1.00 0.00 C ATOM 1249 CG GLU A 80 3.472 -0.928 -12.312 1.00 0.00 C ATOM 1250 CD GLU A 80 3.677 0.294 -13.186 1.00 0.00 C ATOM 1251 OE1 GLU A 80 2.696 1.035 -13.408 1.00 0.00 O ATOM 1252 OE2 GLU A 80 4.816 0.509 -13.649 1.00 0.00 O ATOM 0 H GLU A 80 3.322 -0.646 -8.253 1.00 0.00 H new ATOM 0 HA GLU A 80 1.782 -1.945 -10.394 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.797 0.330 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.384 -0.368 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.295 -1.625 -12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.559 -1.439 -12.617 1.00 0.00 H new ATOM 1259 N ILE A 81 3.327 -3.849 -10.925 1.00 0.00 N ATOM 1260 CA ILE A 81 4.091 -5.083 -11.061 1.00 0.00 C ATOM 1261 C ILE A 81 4.985 -5.042 -12.296 1.00 0.00 C ATOM 1262 O ILE A 81 4.497 -5.000 -13.426 1.00 0.00 O ATOM 1263 CB ILE A 81 3.167 -6.311 -11.150 1.00 0.00 C ATOM 1264 CG1 ILE A 81 2.230 -6.360 -9.942 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.990 -7.588 -11.242 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.946 -6.223 -8.616 1.00 0.00 C ATOM 0 H ILE A 81 2.548 -3.761 -11.578 1.00 0.00 H new ATOM 0 HA ILE A 81 4.711 -5.170 -10.169 1.00 0.00 H new ATOM 0 HB ILE A 81 2.561 -6.227 -12.052 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.493 -5.562 -10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.683 -7.303 -9.955 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.322 -8.447 -11.304 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.619 -7.552 -12.131 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.619 -7.680 -10.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.220 -6.266 -7.804 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.664 -7.036 -8.505 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.471 -5.268 -8.583 1.00 0.00 H new ATOM 1356 N CYS A 87 6.335 -2.549 -6.949 1.00 0.00 N ATOM 1357 CA CYS A 87 6.748 -1.151 -7.021 1.00 0.00 C ATOM 1358 C CYS A 87 5.697 -0.241 -6.395 1.00 0.00 C ATOM 1359 O CYS A 87 4.606 -0.066 -6.940 1.00 0.00 O ATOM 1360 CB CYS A 87 6.991 -0.745 -8.475 1.00 0.00 C ATOM 1361 SG CYS A 87 8.665 -1.086 -9.067 1.00 0.00 S ATOM 0 HA CYS A 87 7.676 -1.042 -6.461 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.278 -1.270 -9.111 1.00 0.00 H new ATOM 0 HB3 CYS A 87 6.789 0.321 -8.582 1.00 0.00 H new ATOM 0 HG CYS A 87 8.772 -0.710 -10.307 1.00 0.00 H new ATOM 1367 N LEU A 88 6.030 0.336 -5.245 1.00 0.00 N ATOM 1368 CA LEU A 88 5.114 1.228 -4.543 1.00 0.00 C ATOM 1369 C LEU A 88 5.408 2.686 -4.880 1.00 0.00 C ATOM 1370 O LEU A 88 6.516 3.174 -4.659 1.00 0.00 O ATOM 1371 CB LEU A 88 5.219 1.011 -3.032 1.00 0.00 C ATOM 1372 CG LEU A 88 4.291 -0.050 -2.440 1.00 0.00 C ATOM 1373 CD1 LEU A 88 4.952 -1.419 -2.478 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.901 0.317 -1.015 1.00 0.00 C ATOM 0 H LEU A 88 6.928 0.202 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 88 4.100 0.997 -4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.247 0.738 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.018 1.960 -2.534 1.00 0.00 H new ATOM 0 HG LEU A 88 3.385 -0.090 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.277 -2.161 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.179 -1.685 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.875 -1.394 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.240 -0.449 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.797 0.386 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.386 1.277 -1.015 1.00 0.00 H new ATOM 1386 N SER A 89 4.407 3.377 -5.415 1.00 0.00 N ATOM 1387 CA SER A 89 4.558 4.779 -5.785 1.00 0.00 C ATOM 1388 C SER A 89 3.584 5.655 -5.002 1.00 0.00 C ATOM 1389 O SER A 89 2.368 5.482 -5.088 1.00 0.00 O ATOM 1390 CB SER A 89 4.330 4.960 -7.287 1.00 0.00 C ATOM 1391 OG SER A 89 5.313 4.270 -8.039 1.00 0.00 O ATOM 0 H SER A 89 3.483 2.989 -5.602 1.00 0.00 H new ATOM 0 HA SER A 89 5.575 5.086 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.339 4.593 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 89 4.355 6.021 -7.537 1.00 0.00 H new ATOM 0 HG SER A 89 5.144 4.400 -8.996 1.00 0.00 H new ATOM 1397 N VAL A 90 4.129 6.598 -4.239 1.00 0.00 N ATOM 1398 CA VAL A 90 3.310 7.503 -3.441 1.00 0.00 C ATOM 1399 C VAL A 90 3.133 8.845 -4.141 1.00 0.00 C ATOM 1400 O VAL A 90 4.089 9.415 -4.666 1.00 0.00 O ATOM 1401 CB VAL A 90 3.927 7.739 -2.050 1.00 0.00 C ATOM 1402 CG1 VAL A 90 2.978 8.542 -1.173 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.281 6.414 -1.392 1.00 0.00 C ATOM 0 H VAL A 90 5.134 6.755 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 90 2.336 7.027 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 90 4.845 8.314 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.432 8.698 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.780 9.507 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.042 7.997 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.716 6.600 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.380 5.810 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.001 5.881 -2.012 1.00 0.00 H new ATOM 1413 N VAL A 91 1.902 9.347 -4.145 1.00 0.00 N ATOM 1414 CA VAL A 91 1.598 10.624 -4.779 1.00 0.00 C ATOM 1415 C VAL A 91 0.805 11.528 -3.842 1.00 0.00 C ATOM 1416 O VAL A 91 -0.235 11.133 -3.313 1.00 0.00 O ATOM 1417 CB VAL A 91 0.802 10.428 -6.083 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.469 11.772 -6.713 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.578 9.552 -7.054 1.00 0.00 C ATOM 0 H VAL A 91 1.099 8.888 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 91 2.552 11.096 -5.013 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.135 9.924 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.093 11.613 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.130 12.361 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.392 12.306 -6.939 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.001 9.424 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.531 10.025 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.759 8.578 -6.600 1.00 0.00 H new ATOM 1429 N LYS A 92 1.301 12.744 -3.641 1.00 0.00 N ATOM 1430 CA LYS A 92 0.639 13.707 -2.770 1.00 0.00 C ATOM 1431 C LYS A 92 -0.247 14.651 -3.576 1.00 0.00 C ATOM 1432 O LYS A 92 0.248 15.523 -4.290 1.00 0.00 O ATOM 1433 CB LYS A 92 1.676 14.511 -1.983 1.00 0.00 C ATOM 1434 CG LYS A 92 1.111 15.185 -0.744 1.00 0.00 C ATOM 1435 CD LYS A 92 2.207 15.823 0.092 1.00 0.00 C ATOM 1436 CE LYS A 92 1.629 16.672 1.215 1.00 0.00 C ATOM 1437 NZ LYS A 92 0.827 17.812 0.691 1.00 0.00 N ATOM 0 H LYS A 92 2.161 13.086 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 92 0.010 13.155 -2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.489 13.848 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.106 15.271 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.388 15.946 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.574 14.452 -0.143 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.844 15.045 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.839 16.442 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.002 16.051 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.439 17.053 1.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.708 18.525 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.319 18.239 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.107 17.469 0.388 1.00 0.00 H new