USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 547 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 28 ASN :FLIP amide:sc= -6.59! C(o=-15!,f=-15!) USER MOD Set 1.2: A 30 GLN : amide:sc= -1.74 X(o=-15,f=-15) USER MOD Set 1.3: A 75 ASN : amide:sc= -6.79! C(o=-15!,f=-18!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 149:sc= 0.0614 (180deg=0) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -7.96! C(o=-7.9!,f=-11!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.755 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.658 F(o=-4.3!,f=-0.66) USER MOD Single : A 16 GLN : amide:sc= -8.33! C(o=-8.3!,f=-13!) USER MOD Single : A 19 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.98! C(o=-5!,f=-5.4!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.747 F(o=-2.6,f=-0.75) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.25 (180deg=-0.97) USER MOD Single : A 57 HIS : no HE2:sc= -0.0803 K(o=-0.08,f=-2.8) USER MOD Single : A 60 MET CE :methyl 145:sc= -0.0656 (180deg=-0.49) USER MOD Single : A 61 CYS SG : rot -90:sc= -0.877! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 89:sc= -1.93! USER MOD Single : A 67 LYS NZ :NH3+ -135:sc= -4.6! (180deg=-9.83!) USER MOD Single : A 72 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-7.9!) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.218) USER MOD Single : A 77 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.5!) USER MOD Single : A 79 ASN :FLIP amide:sc= -2.19 F(o=-6.6!,f=-2.2) USER MOD Single : A 80 LYS NZ :NH3+ 159:sc= -0.0393 (180deg=-0.328) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.025 51.358 2.266 1.00 0.00 N ATOM 93 CA LYS A 8 4.105 49.914 2.440 1.00 0.00 C ATOM 94 C LYS A 8 5.550 49.492 2.674 1.00 0.00 C ATOM 95 O LYS A 8 6.474 50.289 2.512 1.00 0.00 O ATOM 96 CB LYS A 8 3.562 49.192 1.208 1.00 0.00 C ATOM 97 CG LYS A 8 2.069 49.481 1.062 1.00 0.00 C ATOM 98 CD LYS A 8 1.467 48.513 0.044 1.00 0.00 C ATOM 99 CE LYS A 8 -0.020 48.812 -0.129 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.499 48.228 -1.412 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.501 49.643 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.095 49.521 0.316 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.728 48.119 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.569 49.372 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.916 50.510 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.981 48.609 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.605 47.485 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.585 48.396 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.188 49.889 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.512 48.432 -1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.032 48.645 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.352 47.198 -1.401 1.00 0.00 H new ATOM 114 N PHE A 9 5.738 48.236 3.061 1.00 0.00 N ATOM 115 CA PHE A 9 7.077 47.722 3.323 1.00 0.00 C ATOM 116 C PHE A 9 7.814 47.404 2.027 1.00 0.00 C ATOM 117 O PHE A 9 7.216 46.946 1.052 1.00 0.00 O ATOM 118 CB PHE A 9 6.991 46.458 4.180 1.00 0.00 C ATOM 119 CG PHE A 9 6.629 46.841 5.593 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.623 47.281 6.473 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.298 46.761 6.022 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.290 47.641 7.783 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.965 47.120 7.333 1.00 0.00 C ATOM 124 CZ PHE A 9 5.959 47.561 8.214 1.00 0.00 C ATOM 0 H PHE A 9 4.987 47.559 3.199 1.00 0.00 H new ATOM 0 HA PHE A 9 7.633 48.494 3.854 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.243 45.778 3.772 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.944 45.929 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.649 47.343 6.141 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.530 46.423 5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.058 47.980 8.462 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.939 47.057 7.665 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.701 47.839 9.225 1.00 0.00 H new ATOM 134 N THR A 10 9.120 47.648 2.032 1.00 0.00 N ATOM 135 CA THR A 10 9.947 47.381 0.861 1.00 0.00 C ATOM 136 C THR A 10 10.457 45.945 0.895 1.00 0.00 C ATOM 137 O THR A 10 10.470 45.310 1.948 1.00 0.00 O ATOM 138 CB THR A 10 11.130 48.354 0.823 1.00 0.00 C ATOM 139 OG1 THR A 10 11.853 48.266 2.042 1.00 0.00 O ATOM 140 CG2 THR A 10 10.615 49.782 0.631 1.00 0.00 C ATOM 0 H THR A 10 9.627 48.029 2.831 1.00 0.00 H new ATOM 0 HA THR A 10 9.343 47.520 -0.036 1.00 0.00 H new ATOM 0 HB THR A 10 11.787 48.095 -0.007 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.611 48.887 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.458 50.472 0.604 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.063 49.847 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.956 50.046 1.459 1.00 0.00 H new ATOM 148 N ASP A 11 10.866 45.431 -0.261 1.00 0.00 N ATOM 149 CA ASP A 11 11.362 44.062 -0.333 1.00 0.00 C ATOM 150 C ASP A 11 12.483 43.830 0.677 1.00 0.00 C ATOM 151 O ASP A 11 12.528 42.789 1.332 1.00 0.00 O ATOM 152 CB ASP A 11 11.875 43.768 -1.746 1.00 0.00 C ATOM 153 CG ASP A 11 10.704 43.678 -2.721 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.578 43.592 -2.261 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.952 43.698 -3.916 1.00 0.00 O1- ATOM 0 H ASP A 11 10.864 45.934 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 11 10.538 43.389 -0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.562 44.553 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.435 42.833 -1.751 1.00 0.00 H new ATOM 160 N ASP A 12 13.383 44.801 0.806 1.00 0.00 N ATOM 161 CA ASP A 12 14.488 44.668 1.749 1.00 0.00 C ATOM 162 C ASP A 12 13.971 44.650 3.182 1.00 0.00 C ATOM 163 O ASP A 12 14.368 43.805 3.985 1.00 0.00 O ATOM 164 CB ASP A 12 15.479 45.816 1.556 1.00 0.00 C ATOM 165 CG ASP A 12 16.129 45.694 0.182 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.057 44.617 -0.388 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.686 46.676 -0.280 1.00 0.00 O ATOM 0 H ASP A 12 13.370 45.674 0.279 1.00 0.00 H new ATOM 0 HA ASP A 12 14.998 43.724 1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.966 46.774 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.241 45.789 2.335 1.00 0.00 H new ATOM 172 N GLU A 13 13.061 45.564 3.493 1.00 0.00 N ATOM 173 CA GLU A 13 12.481 45.613 4.828 1.00 0.00 C ATOM 174 C GLU A 13 11.679 44.347 5.080 1.00 0.00 C ATOM 175 O GLU A 13 11.702 43.780 6.172 1.00 0.00 O ATOM 176 CB GLU A 13 11.558 46.824 4.951 1.00 0.00 C ATOM 177 CG GLU A 13 12.391 48.105 4.990 1.00 0.00 C ATOM 178 CD GLU A 13 11.485 49.307 5.235 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.279 49.136 5.171 1.00 0.00 O ATOM 180 OE2 GLU A 13 12.009 50.380 5.486 1.00 0.00 O1- ATOM 0 H GLU A 13 12.712 46.273 2.848 1.00 0.00 H new ATOM 0 HA GLU A 13 13.284 45.694 5.561 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.867 46.854 4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.955 46.743 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.141 48.037 5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.927 48.229 4.049 1.00 0.00 H new ATOM 187 N TRP A 14 10.970 43.910 4.048 1.00 0.00 N ATOM 188 CA TRP A 14 10.158 42.715 4.139 1.00 0.00 C ATOM 189 C TRP A 14 11.040 41.524 4.480 1.00 0.00 C ATOM 190 O TRP A 14 10.718 40.741 5.369 1.00 0.00 O ATOM 191 CB TRP A 14 9.466 42.505 2.792 1.00 0.00 C ATOM 192 CG TRP A 14 8.205 41.713 2.948 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.910 40.607 2.233 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.063 41.949 3.828 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.660 40.143 2.615 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.101 40.937 3.593 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.767 42.928 4.794 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.894 40.897 4.289 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.551 42.890 5.496 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.618 41.877 5.245 1.00 0.00 C ATOM 0 H TRP A 14 10.944 44.370 3.138 1.00 0.00 H new ATOM 0 HA TRP A 14 9.408 42.819 4.923 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.238 43.472 2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.141 41.988 2.110 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.545 40.156 1.484 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.210 39.317 2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.479 43.714 4.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.177 40.114 4.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.334 43.648 6.235 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.686 41.853 5.790 1.00 0.00 H new ATOM 211 N ASN A 15 12.169 41.407 3.787 1.00 0.00 N ATOM 212 CA ASN A 15 13.098 40.315 4.044 1.00 0.00 C ATOM 213 C ASN A 15 13.536 40.317 5.501 1.00 0.00 C ATOM 214 O ASN A 15 13.672 39.261 6.121 1.00 0.00 O ATOM 215 CB ASN A 15 14.314 40.439 3.134 1.00 0.00 C ATOM 216 CG ASN A 15 13.907 40.138 1.699 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.646 40.190 1.370 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.758 39.853 0.856 1.00 0.00 N flip ATOM 0 H ASN A 15 12.460 42.049 3.050 1.00 0.00 H new ATOM 0 HA ASN A 15 12.591 39.373 3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.731 41.444 3.202 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.093 39.748 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.743 39.814 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.478 39.656 -0.105 1.00 0.00 H new ATOM 225 N GLN A 16 13.723 41.510 6.054 1.00 0.00 N ATOM 226 CA GLN A 16 14.105 41.623 7.454 1.00 0.00 C ATOM 227 C GLN A 16 12.977 41.041 8.293 1.00 0.00 C ATOM 228 O GLN A 16 13.200 40.283 9.237 1.00 0.00 O ATOM 229 CB GLN A 16 14.329 43.092 7.837 1.00 0.00 C ATOM 230 CG GLN A 16 15.750 43.521 7.459 1.00 0.00 C ATOM 231 CD GLN A 16 15.977 43.345 5.962 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.872 42.234 5.443 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.285 44.383 5.233 1.00 0.00 N ATOM 0 H GLN A 16 13.618 42.398 5.563 1.00 0.00 H new ATOM 0 HA GLN A 16 15.036 41.084 7.629 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.602 43.724 7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.173 43.225 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.908 44.563 7.737 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.476 42.928 8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.371 45.303 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.439 44.275 4.231 1.00 0.00 H new ATOM 242 N LEU A 17 11.758 41.393 7.908 1.00 0.00 N ATOM 243 CA LEU A 17 10.572 40.896 8.588 1.00 0.00 C ATOM 244 C LEU A 17 10.470 39.383 8.432 1.00 0.00 C ATOM 245 O LEU A 17 10.056 38.683 9.357 1.00 0.00 O ATOM 246 CB LEU A 17 9.328 41.563 8.005 1.00 0.00 C ATOM 247 CG LEU A 17 8.077 40.964 8.648 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.105 41.205 10.157 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.835 41.627 8.048 1.00 0.00 C ATOM 0 H LEU A 17 11.565 42.021 7.128 1.00 0.00 H new ATOM 0 HA LEU A 17 10.646 41.135 9.649 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.362 42.638 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.298 41.420 6.925 1.00 0.00 H new ATOM 0 HG LEU A 17 8.050 39.891 8.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.211 40.776 10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.990 40.734 10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.133 42.277 10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.940 41.203 8.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.866 42.700 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.813 41.451 6.972 1.00 0.00 H new ATOM 261 N LYS A 18 10.856 38.878 7.259 1.00 0.00 N ATOM 262 CA LYS A 18 10.807 37.443 7.012 1.00 0.00 C ATOM 263 C LYS A 18 11.655 36.712 8.045 1.00 0.00 C ATOM 264 O LYS A 18 11.249 35.679 8.577 1.00 0.00 O ATOM 265 CB LYS A 18 11.317 37.121 5.600 1.00 0.00 C ATOM 266 CG LYS A 18 10.349 37.698 4.562 1.00 0.00 C ATOM 267 CD LYS A 18 10.780 37.283 3.153 1.00 0.00 C ATOM 268 CE LYS A 18 9.923 38.021 2.128 1.00 0.00 C ATOM 269 NZ LYS A 18 9.602 37.108 0.995 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.201 39.435 6.477 1.00 0.00 H new ATOM 0 HA LYS A 18 9.772 37.112 7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.313 37.541 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.405 36.042 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.337 37.344 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.327 38.785 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.834 37.516 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.670 36.206 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.004 38.375 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.453 38.900 1.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.673 37.359 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.329 37.201 0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.579 36.126 1.336 1.00 0.00 H new ATOM 283 N GLN A 19 12.834 37.260 8.327 1.00 0.00 N ATOM 284 CA GLN A 19 13.733 36.657 9.304 1.00 0.00 C ATOM 285 C GLN A 19 13.090 36.651 10.688 1.00 0.00 C ATOM 286 O GLN A 19 13.214 35.682 11.434 1.00 0.00 O ATOM 287 CB GLN A 19 15.042 37.444 9.360 1.00 0.00 C ATOM 288 CG GLN A 19 15.705 37.448 7.980 1.00 0.00 C ATOM 289 CD GLN A 19 16.072 36.028 7.564 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.368 35.188 8.414 1.00 0.00 O ATOM 291 NE2 GLN A 19 16.080 35.713 6.299 1.00 0.00 N ATOM 0 H GLN A 19 13.187 38.115 7.896 1.00 0.00 H new ATOM 0 HA GLN A 19 13.935 35.630 9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.848 38.467 9.683 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.713 36.999 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.029 37.886 7.246 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.599 38.071 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.834 36.412 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.332 34.768 6.010 1.00 0.00 H new ATOM 300 N ASP A 20 12.411 37.744 11.030 1.00 0.00 N ATOM 301 CA ASP A 20 11.767 37.849 12.333 1.00 0.00 C ATOM 302 C ASP A 20 10.741 36.735 12.525 1.00 0.00 C ATOM 303 O ASP A 20 10.698 36.098 13.577 1.00 0.00 O ATOM 304 CB ASP A 20 11.076 39.208 12.455 1.00 0.00 C ATOM 305 CG ASP A 20 12.105 40.332 12.355 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.243 40.104 12.735 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 11.740 41.405 11.901 1.00 0.00 O ATOM 0 H ASP A 20 12.294 38.560 10.429 1.00 0.00 H new ATOM 0 HA ASP A 20 12.531 37.752 13.104 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.330 39.317 11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.548 39.272 13.406 1.00 0.00 H new ATOM 312 N PHE A 21 9.925 36.485 11.501 1.00 0.00 N ATOM 313 CA PHE A 21 8.929 35.424 11.593 1.00 0.00 C ATOM 314 C PHE A 21 9.627 34.079 11.702 1.00 0.00 C ATOM 315 O PHE A 21 9.305 33.268 12.567 1.00 0.00 O ATOM 316 CB PHE A 21 8.013 35.436 10.365 1.00 0.00 C ATOM 317 CG PHE A 21 7.007 36.557 10.499 1.00 0.00 C ATOM 318 CD1 PHE A 21 6.123 36.577 11.586 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.958 37.577 9.540 1.00 0.00 C ATOM 320 CE1 PHE A 21 5.193 37.616 11.712 1.00 0.00 C ATOM 321 CE2 PHE A 21 6.025 38.614 9.667 1.00 0.00 C ATOM 322 CZ PHE A 21 5.144 38.633 10.753 1.00 0.00 C ATOM 0 H PHE A 21 9.934 36.992 10.616 1.00 0.00 H new ATOM 0 HA PHE A 21 8.319 35.592 12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.604 35.569 9.459 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.498 34.480 10.272 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.159 35.791 12.326 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.640 37.564 8.703 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.513 37.632 12.551 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.986 39.399 8.926 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.425 39.433 10.851 1.00 0.00 H new ATOM 332 N ILE A 22 10.607 33.865 10.834 1.00 0.00 N ATOM 333 CA ILE A 22 11.368 32.625 10.858 1.00 0.00 C ATOM 334 C ILE A 22 12.017 32.463 12.230 1.00 0.00 C ATOM 335 O ILE A 22 12.025 31.376 12.809 1.00 0.00 O ATOM 336 CB ILE A 22 12.429 32.648 9.753 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.728 32.756 8.394 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.237 31.355 9.802 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.719 33.198 7.310 1.00 0.00 C ATOM 0 H ILE A 22 10.891 34.527 10.112 1.00 0.00 H new ATOM 0 HA ILE A 22 10.706 31.778 10.679 1.00 0.00 H new ATOM 0 HB ILE A 22 13.095 33.499 9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.292 31.793 8.126 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.907 33.471 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.993 31.368 9.017 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.724 31.267 10.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.572 30.505 9.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.203 33.269 6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.134 34.171 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.525 32.468 7.235 1.00 0.00 H new ATOM 351 N SER A 23 12.550 33.568 12.737 1.00 0.00 N ATOM 352 CA SER A 23 13.193 33.578 14.045 1.00 0.00 C ATOM 353 C SER A 23 12.207 33.144 15.131 1.00 0.00 C ATOM 354 O SER A 23 12.531 32.321 15.986 1.00 0.00 O ATOM 355 CB SER A 23 13.705 34.989 14.351 1.00 0.00 C ATOM 356 OG SER A 23 14.614 34.935 15.443 1.00 0.00 O ATOM 0 H SER A 23 12.550 34.470 12.261 1.00 0.00 H new ATOM 0 HA SER A 23 14.028 32.877 14.031 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.198 35.407 13.473 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.870 35.647 14.591 1.00 0.00 H new ATOM 0 HG SER A 23 14.944 35.837 15.639 1.00 0.00 H new ATOM 362 N GLY A 24 10.999 33.703 15.085 1.00 0.00 N ATOM 363 CA GLY A 24 9.968 33.371 16.066 1.00 0.00 C ATOM 364 C GLY A 24 9.641 31.883 16.046 1.00 0.00 C ATOM 365 O GLY A 24 9.343 31.292 17.082 1.00 0.00 O ATOM 0 H GLY A 24 10.711 34.384 14.383 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.305 33.658 17.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.066 33.946 15.857 1.00 0.00 H new ATOM 369 N ILE A 25 9.699 31.286 14.860 1.00 0.00 N ATOM 370 CA ILE A 25 9.401 29.867 14.713 1.00 0.00 C ATOM 371 C ILE A 25 10.512 29.006 15.311 1.00 0.00 C ATOM 372 O ILE A 25 10.237 28.029 16.004 1.00 0.00 O ATOM 373 CB ILE A 25 9.235 29.536 13.225 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.050 30.322 12.652 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.988 28.038 13.047 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.777 29.987 13.432 1.00 0.00 C ATOM 0 H ILE A 25 9.948 31.760 13.992 1.00 0.00 H new ATOM 0 HA ILE A 25 8.477 29.649 15.249 1.00 0.00 H new ATOM 0 HB ILE A 25 10.146 29.813 12.695 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.251 31.392 12.709 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.916 30.078 11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.871 27.812 11.987 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.835 27.480 13.446 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.081 27.753 13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.939 30.549 13.020 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.572 28.919 13.353 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.912 30.254 14.480 1.00 0.00 H new ATOM 388 N LEU A 26 11.763 29.369 15.040 1.00 0.00 N ATOM 389 CA LEU A 26 12.898 28.605 15.558 1.00 0.00 C ATOM 390 C LEU A 26 13.119 28.868 17.049 1.00 0.00 C ATOM 391 O LEU A 26 13.624 28.005 17.767 1.00 0.00 O ATOM 392 CB LEU A 26 14.168 28.936 14.758 1.00 0.00 C ATOM 393 CG LEU A 26 14.944 30.077 15.427 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.678 29.549 16.664 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.971 30.646 14.441 1.00 0.00 C ATOM 0 H LEU A 26 12.017 30.177 14.472 1.00 0.00 H new ATOM 0 HA LEU A 26 12.671 27.545 15.442 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.801 28.051 14.687 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.900 29.219 13.740 1.00 0.00 H new ATOM 0 HG LEU A 26 14.244 30.858 15.723 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.228 30.363 17.136 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.954 29.142 17.371 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.375 28.765 16.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.522 31.457 14.917 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.666 29.860 14.145 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.456 31.026 13.559 1.00 0.00 H new ATOM 407 N GLU A 27 12.735 30.053 17.513 1.00 0.00 N ATOM 408 CA GLU A 27 12.896 30.390 18.925 1.00 0.00 C ATOM 409 C GLU A 27 11.821 29.724 19.778 1.00 0.00 C ATOM 410 O GLU A 27 12.094 29.276 20.892 1.00 0.00 O ATOM 411 CB GLU A 27 12.846 31.906 19.124 1.00 0.00 C ATOM 412 CG GLU A 27 14.107 32.533 18.527 1.00 0.00 C ATOM 413 CD GLU A 27 15.343 31.986 19.236 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.192 31.466 20.329 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.419 32.091 18.673 1.00 0.00 O1- ATOM 0 H GLU A 27 12.316 30.787 16.942 1.00 0.00 H new ATOM 0 HA GLU A 27 13.870 30.018 19.244 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.958 32.319 18.645 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.775 32.143 20.185 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.162 32.315 17.460 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.068 33.617 18.629 1.00 0.00 H new ATOM 422 N ASN A 28 10.592 29.663 19.261 1.00 0.00 N ATOM 423 CA ASN A 28 9.503 29.049 20.015 1.00 0.00 C ATOM 424 C ASN A 28 9.362 27.571 19.668 1.00 0.00 C ATOM 425 O ASN A 28 9.683 27.142 18.562 1.00 0.00 O ATOM 426 CB ASN A 28 8.179 29.790 19.765 1.00 0.00 C ATOM 427 CG ASN A 28 7.739 29.667 18.308 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.385 28.880 17.496 1.00 0.00 O flip ATOM 429 ND2 ASN A 28 6.771 30.310 17.900 1.00 0.00 N flip ATOM 0 H ASN A 28 10.331 30.023 18.343 1.00 0.00 H new ATOM 0 HA ASN A 28 9.746 29.127 21.075 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.405 29.384 20.416 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.295 30.842 20.024 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.264 30.927 18.535 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.476 30.226 16.927 1.00 0.00 H new ATOM 436 N GLU A 29 8.888 26.792 20.633 1.00 0.00 N ATOM 437 CA GLU A 29 8.719 25.357 20.432 1.00 0.00 C ATOM 438 C GLU A 29 7.715 25.071 19.323 1.00 0.00 C ATOM 439 O GLU A 29 7.757 24.010 18.699 1.00 0.00 O ATOM 440 CB GLU A 29 8.262 24.696 21.730 1.00 0.00 C ATOM 441 CG GLU A 29 8.223 23.178 21.532 1.00 0.00 C ATOM 442 CD GLU A 29 7.741 22.488 22.804 1.00 0.00 C ATOM 443 OE1 GLU A 29 7.758 23.125 23.843 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 7.374 21.326 22.722 1.00 0.00 O ATOM 0 H GLU A 29 8.615 27.127 21.557 1.00 0.00 H new ATOM 0 HA GLU A 29 9.682 24.942 20.135 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.942 24.952 22.542 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.276 25.064 22.012 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.560 22.930 20.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.216 22.814 21.267 1.00 0.00 H new ATOM 451 N GLN A 30 6.810 26.015 19.087 1.00 0.00 N ATOM 452 CA GLN A 30 5.798 25.843 18.051 1.00 0.00 C ATOM 453 C GLN A 30 6.445 25.367 16.756 1.00 0.00 C ATOM 454 O GLN A 30 5.754 24.990 15.809 1.00 0.00 O ATOM 455 CB GLN A 30 5.070 27.161 17.791 1.00 0.00 C ATOM 456 CG GLN A 30 4.489 27.694 19.100 1.00 0.00 C ATOM 457 CD GLN A 30 3.665 28.949 18.827 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.223 30.013 18.558 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.362 28.886 18.875 1.00 0.00 N ATOM 0 H GLN A 30 6.756 26.899 19.593 1.00 0.00 H new ATOM 0 HA GLN A 30 5.082 25.098 18.396 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.759 27.890 17.364 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.273 27.010 17.063 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.865 26.933 19.568 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.293 27.921 19.800 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.902 28.003 19.098 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.804 29.719 18.689 1.00 0.00 H new ATOM 468 N LYS A 31 7.773 25.392 16.718 1.00 0.00 N ATOM 469 CA LYS A 31 8.493 24.960 15.528 1.00 0.00 C ATOM 470 C LYS A 31 8.040 23.564 15.130 1.00 0.00 C ATOM 471 O LYS A 31 8.007 23.224 13.946 1.00 0.00 O ATOM 472 CB LYS A 31 9.999 24.937 15.787 1.00 0.00 C ATOM 473 CG LYS A 31 10.725 24.728 14.458 1.00 0.00 C ATOM 474 CD LYS A 31 12.224 24.561 14.705 1.00 0.00 C ATOM 475 CE LYS A 31 12.953 24.537 13.362 1.00 0.00 C ATOM 476 NZ LYS A 31 14.304 25.141 13.519 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.366 25.703 17.488 1.00 0.00 H new ATOM 0 HA LYS A 31 8.279 25.665 14.725 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.317 25.872 16.248 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.250 24.137 16.484 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.330 23.846 13.953 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.549 25.579 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.597 25.379 15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.414 23.638 15.253 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.041 23.512 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.381 25.089 12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.800 25.125 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.209 26.124 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.849 24.597 14.218 1.00 0.00 H new ATOM 490 N ASP A 32 7.685 22.760 16.126 1.00 0.00 N ATOM 491 CA ASP A 32 7.227 21.406 15.863 1.00 0.00 C ATOM 492 C ASP A 32 6.093 21.454 14.850 1.00 0.00 C ATOM 493 O ASP A 32 5.983 20.599 13.976 1.00 0.00 O ATOM 494 CB ASP A 32 6.727 20.764 17.163 1.00 0.00 C ATOM 495 CG ASP A 32 7.860 20.691 18.183 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.006 20.654 17.768 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 7.562 20.673 19.367 1.00 0.00 O ATOM 0 H ASP A 32 7.706 23.021 17.112 1.00 0.00 H new ATOM 0 HA ASP A 32 8.051 20.812 15.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.899 21.345 17.569 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.345 19.763 16.960 1.00 0.00 H new ATOM 502 N LEU A 33 5.260 22.477 14.975 1.00 0.00 N ATOM 503 CA LEU A 33 4.133 22.657 14.074 1.00 0.00 C ATOM 504 C LEU A 33 4.607 22.884 12.644 1.00 0.00 C ATOM 505 O LEU A 33 3.984 22.414 11.691 1.00 0.00 O ATOM 506 CB LEU A 33 3.306 23.854 14.532 1.00 0.00 C ATOM 507 CG LEU A 33 2.835 23.620 15.965 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.000 24.813 16.426 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.984 22.348 16.020 1.00 0.00 C ATOM 0 H LEU A 33 5.344 23.196 15.694 1.00 0.00 H new ATOM 0 HA LEU A 33 3.525 21.752 14.095 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.902 24.765 14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.449 23.993 13.873 1.00 0.00 H new ATOM 0 HG LEU A 33 3.699 23.507 16.619 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.663 24.647 17.449 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.606 25.718 16.385 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.135 24.926 15.773 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.647 22.180 17.043 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.119 22.461 15.367 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.580 21.497 15.690 1.00 0.00 H new ATOM 521 N VAL A 34 5.712 23.605 12.494 1.00 0.00 N ATOM 522 CA VAL A 34 6.243 23.876 11.164 1.00 0.00 C ATOM 523 C VAL A 34 6.697 22.580 10.505 1.00 0.00 C ATOM 524 O VAL A 34 6.471 22.369 9.316 1.00 0.00 O ATOM 525 CB VAL A 34 7.401 24.889 11.237 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.670 24.306 10.602 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.004 26.152 10.467 1.00 0.00 C ATOM 0 H VAL A 34 6.250 24.006 13.262 1.00 0.00 H new ATOM 0 HA VAL A 34 5.452 24.314 10.555 1.00 0.00 H new ATOM 0 HB VAL A 34 7.601 25.120 12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.476 25.037 10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.960 23.400 11.134 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.477 24.066 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.817 26.876 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.804 25.896 9.427 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.108 26.584 10.913 1.00 0.00 H new ATOM 537 N ALA A 35 7.336 21.717 11.282 1.00 0.00 N ATOM 538 CA ALA A 35 7.811 20.446 10.750 1.00 0.00 C ATOM 539 C ALA A 35 6.637 19.623 10.228 1.00 0.00 C ATOM 540 O ALA A 35 6.743 18.966 9.192 1.00 0.00 O ATOM 541 CB ALA A 35 8.554 19.665 11.837 1.00 0.00 C ATOM 0 H ALA A 35 7.536 21.870 12.270 1.00 0.00 H new ATOM 0 HA ALA A 35 8.496 20.645 9.926 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.905 18.717 11.429 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.407 20.248 12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.880 19.473 12.672 1.00 0.00 H new ATOM 689 N ASN A 45 12.444 25.933 7.847 1.00 0.00 N ATOM 690 CA ASN A 45 11.103 26.331 8.258 1.00 0.00 C ATOM 691 C ASN A 45 10.215 26.548 7.045 1.00 0.00 C ATOM 692 O ASN A 45 9.403 27.470 7.022 1.00 0.00 O ATOM 693 CB ASN A 45 11.155 27.612 9.096 1.00 0.00 C ATOM 694 CG ASN A 45 11.913 28.701 8.344 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.124 28.842 8.510 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.269 29.486 7.527 1.00 0.00 N ATOM 0 HA ASN A 45 10.683 25.528 8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.143 27.951 9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.642 27.412 10.050 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.769 30.219 7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.265 29.367 7.391 1.00 0.00 H new ATOM 703 N GLN A 46 10.397 25.709 6.030 1.00 0.00 N ATOM 704 CA GLN A 46 9.622 25.817 4.797 1.00 0.00 C ATOM 705 C GLN A 46 9.641 27.257 4.269 1.00 0.00 C ATOM 706 O GLN A 46 8.600 27.890 4.101 1.00 0.00 O ATOM 707 CB GLN A 46 8.181 25.328 5.012 1.00 0.00 C ATOM 708 CG GLN A 46 7.472 26.151 6.094 1.00 0.00 C ATOM 709 CD GLN A 46 5.986 25.819 6.113 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.161 26.540 5.408 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.565 24.881 6.790 1.00 0.00 N flip ATOM 0 H GLN A 46 11.074 24.946 6.036 1.00 0.00 H new ATOM 0 HA GLN A 46 10.085 25.176 4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.627 25.399 4.076 1.00 0.00 H new ATOM 0 HB3 GLN A 46 8.190 24.276 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.912 25.941 7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.613 27.215 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.213 24.318 7.341 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.568 24.666 6.800 1.00 0.00 H new ATOM 720 N LEU A 47 10.852 27.759 4.018 1.00 0.00 N ATOM 721 CA LEU A 47 11.041 29.121 3.521 1.00 0.00 C ATOM 722 C LEU A 47 10.079 29.470 2.387 1.00 0.00 C ATOM 723 O LEU A 47 9.419 30.509 2.430 1.00 0.00 O ATOM 724 CB LEU A 47 12.472 29.289 3.009 1.00 0.00 C ATOM 725 CG LEU A 47 13.369 29.747 4.154 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.795 29.254 3.907 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.362 31.277 4.223 1.00 0.00 C ATOM 0 H LEU A 47 11.719 27.239 4.152 1.00 0.00 H new ATOM 0 HA LEU A 47 10.841 29.793 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.837 28.346 2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.497 30.018 2.199 1.00 0.00 H new ATOM 0 HG LEU A 47 13.000 29.339 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.439 29.580 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.799 28.165 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.164 29.665 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.003 31.607 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.734 31.685 3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.345 31.629 4.394 1.00 0.00 H new ATOM 739 N ASP A 48 10.034 28.631 1.358 1.00 0.00 N ATOM 740 CA ASP A 48 9.180 28.906 0.202 1.00 0.00 C ATOM 741 C ASP A 48 7.708 29.034 0.582 1.00 0.00 C ATOM 742 O ASP A 48 7.048 29.993 0.183 1.00 0.00 O ATOM 743 CB ASP A 48 9.330 27.791 -0.828 1.00 0.00 C ATOM 744 CG ASP A 48 8.527 28.134 -2.077 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.349 27.820 -2.102 1.00 0.00 O ATOM 746 OD2 ASP A 48 9.102 28.705 -2.986 1.00 0.00 O1- ATOM 0 H ASP A 48 10.570 27.765 1.297 1.00 0.00 H new ATOM 0 HA ASP A 48 9.503 29.860 -0.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.381 27.659 -1.085 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.983 26.847 -0.409 1.00 0.00 H new ATOM 751 N LEU A 49 7.194 28.076 1.343 1.00 0.00 N ATOM 752 CA LEU A 49 5.791 28.126 1.742 1.00 0.00 C ATOM 753 C LEU A 49 5.550 29.322 2.653 1.00 0.00 C ATOM 754 O LEU A 49 4.523 29.993 2.555 1.00 0.00 O ATOM 755 CB LEU A 49 5.399 26.844 2.474 1.00 0.00 C ATOM 756 CG LEU A 49 5.425 25.661 1.504 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.872 25.301 1.159 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.747 24.459 2.162 1.00 0.00 C ATOM 0 H LEU A 49 7.714 27.270 1.691 1.00 0.00 H new ATOM 0 HA LEU A 49 5.181 28.224 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.086 26.663 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.403 26.951 2.904 1.00 0.00 H new ATOM 0 HG LEU A 49 4.897 25.931 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.882 24.458 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.359 26.158 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.407 25.030 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.762 23.612 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.280 24.195 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.715 24.711 2.404 1.00 0.00 H new ATOM 770 N LEU A 50 6.495 29.557 3.555 1.00 0.00 N ATOM 771 CA LEU A 50 6.377 30.650 4.508 1.00 0.00 C ATOM 772 C LEU A 50 6.251 31.985 3.781 1.00 0.00 C ATOM 773 O LEU A 50 5.422 32.821 4.142 1.00 0.00 O ATOM 774 CB LEU A 50 7.619 30.670 5.401 1.00 0.00 C ATOM 775 CG LEU A 50 7.358 31.502 6.658 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.389 31.128 7.723 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.484 32.994 6.337 1.00 0.00 C ATOM 0 H LEU A 50 7.349 29.006 3.645 1.00 0.00 H new ATOM 0 HA LEU A 50 5.483 30.499 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.890 29.652 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.464 31.085 4.851 1.00 0.00 H new ATOM 0 HG LEU A 50 6.350 31.300 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.212 31.716 8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.300 30.067 7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.391 31.334 7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.296 33.577 7.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.489 33.204 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.756 33.264 5.572 1.00 0.00 H new ATOM 789 N HIS A 51 7.081 32.182 2.764 1.00 0.00 N ATOM 790 CA HIS A 51 7.061 33.421 2.000 1.00 0.00 C ATOM 791 C HIS A 51 5.716 33.654 1.318 1.00 0.00 C ATOM 792 O HIS A 51 5.160 34.750 1.402 1.00 0.00 O ATOM 793 CB HIS A 51 8.173 33.383 0.954 1.00 0.00 C ATOM 794 CG HIS A 51 9.502 33.319 1.653 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.832 34.181 2.683 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.597 32.508 1.479 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.079 33.878 3.084 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.592 32.865 2.384 1.00 0.00 N ATOM 0 H HIS A 51 7.774 31.502 2.451 1.00 0.00 H new ATOM 0 HA HIS A 51 7.220 34.247 2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.048 32.517 0.303 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.124 34.268 0.320 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.237 34.914 3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.674 31.714 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.602 34.392 3.877 1.00 0.00 H new ATOM 807 N LYS A 52 5.200 32.635 0.631 1.00 0.00 N ATOM 808 CA LYS A 52 3.923 32.787 -0.063 1.00 0.00 C ATOM 809 C LYS A 52 2.826 33.133 0.933 1.00 0.00 C ATOM 810 O LYS A 52 2.025 34.039 0.701 1.00 0.00 O ATOM 811 CB LYS A 52 3.565 31.498 -0.810 1.00 0.00 C ATOM 812 CG LYS A 52 4.709 31.113 -1.753 1.00 0.00 C ATOM 813 CD LYS A 52 4.983 32.254 -2.739 1.00 0.00 C ATOM 814 CE LYS A 52 5.849 31.736 -3.889 1.00 0.00 C ATOM 815 NZ LYS A 52 6.734 30.644 -3.393 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.634 31.717 0.541 1.00 0.00 H new ATOM 0 HA LYS A 52 4.014 33.597 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.381 30.693 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.645 31.639 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.608 30.896 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.452 30.205 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.043 32.648 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.488 33.075 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.217 31.367 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.450 32.547 -4.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.508 30.489 -4.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.131 30.911 -2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.182 29.768 -3.292 1.00 0.00 H new ATOM 829 N TRP A 53 2.806 32.419 2.048 1.00 0.00 N ATOM 830 CA TRP A 53 1.819 32.666 3.088 1.00 0.00 C ATOM 831 C TRP A 53 1.915 34.117 3.550 1.00 0.00 C ATOM 832 O TRP A 53 0.921 34.845 3.586 1.00 0.00 O ATOM 833 CB TRP A 53 2.118 31.732 4.258 1.00 0.00 C ATOM 834 CG TRP A 53 0.955 31.651 5.190 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.042 30.743 5.103 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.664 32.471 6.360 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.923 30.944 6.147 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.533 32.000 6.949 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.314 33.564 6.964 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.063 32.589 8.096 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.779 34.161 8.119 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.406 33.673 8.682 1.00 0.00 C ATOM 0 H TRP A 53 3.461 31.665 2.256 1.00 0.00 H new ATOM 0 HA TRP A 53 0.814 32.484 2.708 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.357 30.737 3.882 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.996 32.088 4.797 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.135 29.984 4.341 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.759 30.382 6.307 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.230 33.946 6.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.977 32.209 8.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.285 35.000 8.574 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.812 34.135 9.570 1.00 0.00 H new ATOM 853 N LEU A 54 3.128 34.517 3.912 1.00 0.00 N ATOM 854 CA LEU A 54 3.362 35.874 4.384 1.00 0.00 C ATOM 855 C LEU A 54 2.884 36.884 3.347 1.00 0.00 C ATOM 856 O LEU A 54 2.131 37.803 3.662 1.00 0.00 O ATOM 857 CB LEU A 54 4.854 36.096 4.647 1.00 0.00 C ATOM 858 CG LEU A 54 5.045 37.398 5.429 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.704 37.165 6.905 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.501 37.858 5.305 1.00 0.00 C ATOM 0 H LEU A 54 3.958 33.925 3.888 1.00 0.00 H new ATOM 0 HA LEU A 54 2.805 36.013 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.264 35.257 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.398 36.143 3.703 1.00 0.00 H new ATOM 0 HG LEU A 54 4.386 38.166 5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.840 38.093 7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.668 36.839 6.992 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.361 36.397 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.638 38.785 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.161 37.091 5.710 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.741 38.026 4.255 1.00 0.00 H new ATOM 872 N ASP A 55 3.341 36.711 2.111 1.00 0.00 N ATOM 873 CA ASP A 55 2.976 37.619 1.032 1.00 0.00 C ATOM 874 C ASP A 55 1.460 37.719 0.871 1.00 0.00 C ATOM 875 O ASP A 55 0.924 38.809 0.668 1.00 0.00 O ATOM 876 CB ASP A 55 3.591 37.132 -0.277 1.00 0.00 C ATOM 877 CG ASP A 55 5.113 37.150 -0.171 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.614 37.697 0.797 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.754 36.615 -1.060 1.00 0.00 O1- ATOM 0 H ASP A 55 3.963 35.952 1.833 1.00 0.00 H new ATOM 0 HA ASP A 55 3.358 38.608 1.283 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.245 36.123 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.267 37.768 -1.101 1.00 0.00 H new ATOM 884 N ARG A 56 0.775 36.583 0.946 1.00 0.00 N ATOM 885 CA ARG A 56 -0.676 36.567 0.791 1.00 0.00 C ATOM 886 C ARG A 56 -1.365 37.391 1.874 1.00 0.00 C ATOM 887 O ARG A 56 -2.419 37.981 1.640 1.00 0.00 O ATOM 888 CB ARG A 56 -1.196 35.129 0.843 1.00 0.00 C ATOM 889 CG ARG A 56 -2.705 35.128 0.597 1.00 0.00 C ATOM 890 CD ARG A 56 -3.204 33.688 0.464 1.00 0.00 C ATOM 891 NE ARG A 56 -3.128 33.002 1.747 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.954 32.004 2.039 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.869 31.648 1.181 1.00 0.00 N ATOM 894 NH2 ARG A 56 -3.857 31.384 3.184 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.196 35.669 1.112 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.907 37.010 -0.178 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.693 34.521 0.091 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.974 34.685 1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.218 35.626 1.420 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.936 35.688 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.233 33.685 0.104 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.606 33.156 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.430 33.293 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.949 32.136 0.289 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.505 30.882 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.145 31.666 3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.493 30.618 3.405 1.00 0.00 H new ATOM 908 N HIS A 57 -0.773 37.420 3.062 1.00 0.00 N ATOM 909 CA HIS A 57 -1.358 38.165 4.169 1.00 0.00 C ATOM 910 C HIS A 57 -0.459 39.318 4.595 1.00 0.00 C ATOM 911 O HIS A 57 -0.566 39.801 5.717 1.00 0.00 O ATOM 912 CB HIS A 57 -1.581 37.233 5.362 1.00 0.00 C ATOM 913 CG HIS A 57 -2.440 36.071 4.948 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.602 36.233 4.213 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.328 34.721 5.177 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.139 35.013 4.027 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.402 34.057 4.596 1.00 0.00 N ATOM 0 H HIS A 57 0.101 36.942 3.282 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.310 38.574 3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.623 36.873 5.738 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.059 37.778 6.176 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.982 37.117 3.874 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.527 34.248 5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.054 34.830 3.484 1.00 0.00 H new ATOM 926 N ARG A 58 0.422 39.763 3.706 1.00 0.00 N ATOM 927 CA ARG A 58 1.319 40.863 4.032 1.00 0.00 C ATOM 928 C ARG A 58 0.534 42.094 4.485 1.00 0.00 C ATOM 929 O ARG A 58 0.980 42.833 5.361 1.00 0.00 O ATOM 930 CB ARG A 58 2.175 41.215 2.820 1.00 0.00 C ATOM 931 CG ARG A 58 1.282 41.787 1.721 1.00 0.00 C ATOM 932 CD ARG A 58 2.055 41.826 0.407 1.00 0.00 C ATOM 933 NE ARG A 58 3.339 42.498 0.594 1.00 0.00 N ATOM 934 CZ ARG A 58 4.460 42.019 0.057 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.443 40.917 -0.643 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.584 42.655 0.237 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.533 39.384 2.766 1.00 0.00 H new ATOM 0 HA ARG A 58 1.963 40.544 4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.939 41.941 3.098 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.695 40.328 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.386 41.176 1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.952 42.790 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.217 40.812 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.471 42.348 -0.351 1.00 0.00 H new ATOM 0 HE ARG A 58 3.378 43.353 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.566 40.415 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.307 40.558 -1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.601 43.514 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.446 42.293 -0.172 1.00 0.00 H new ATOM 950 N ASP A 59 -0.632 42.310 3.879 1.00 0.00 N ATOM 951 CA ASP A 59 -1.462 43.465 4.230 1.00 0.00 C ATOM 952 C ASP A 59 -1.841 43.419 5.708 1.00 0.00 C ATOM 953 O ASP A 59 -2.091 44.451 6.327 1.00 0.00 O ATOM 954 CB ASP A 59 -2.734 43.499 3.379 1.00 0.00 C ATOM 955 CG ASP A 59 -3.712 42.422 3.836 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.312 41.577 4.618 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.848 42.458 3.394 1.00 0.00 O ATOM 0 H ASP A 59 -1.021 41.710 3.152 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.882 44.367 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.203 44.480 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.481 43.347 2.330 1.00 0.00 H new ATOM 962 N MET A 60 -1.882 42.214 6.262 1.00 0.00 N ATOM 963 CA MET A 60 -2.236 42.043 7.666 1.00 0.00 C ATOM 964 C MET A 60 -1.267 42.812 8.555 1.00 0.00 C ATOM 965 O MET A 60 -1.629 43.240 9.647 1.00 0.00 O ATOM 966 CB MET A 60 -2.206 40.563 8.048 1.00 0.00 C ATOM 967 CG MET A 60 -0.769 40.127 8.354 1.00 0.00 C ATOM 968 SD MET A 60 -0.649 38.327 8.188 1.00 0.00 S ATOM 969 CE MET A 60 1.098 38.248 7.725 1.00 0.00 C ATOM 0 H MET A 60 -1.676 41.347 5.766 1.00 0.00 H new ATOM 0 HA MET A 60 -3.244 42.431 7.811 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.840 40.391 8.918 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.611 39.961 7.235 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.074 40.615 7.671 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.490 40.431 9.363 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.547 37.351 8.151 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.186 38.217 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.615 39.129 8.106 1.00 0.00 H new ATOM 979 N CYS A 61 -0.038 42.989 8.080 1.00 0.00 N ATOM 980 CA CYS A 61 0.970 43.704 8.853 1.00 0.00 C ATOM 981 C CYS A 61 0.506 45.128 9.153 1.00 0.00 C ATOM 982 O CYS A 61 0.867 45.705 10.179 1.00 0.00 O ATOM 983 CB CYS A 61 2.287 43.741 8.072 1.00 0.00 C ATOM 984 SG CYS A 61 2.122 44.877 6.674 1.00 0.00 S ATOM 0 H CYS A 61 0.281 42.651 7.172 1.00 0.00 H new ATOM 0 HA CYS A 61 1.122 43.182 9.798 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.100 44.063 8.723 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.540 42.742 7.716 1.00 0.00 H new ATOM 0 HG CYS A 61 1.692 44.226 5.634 1.00 0.00 H new ATOM 990 N GLU A 62 -0.303 45.681 8.255 1.00 0.00 N ATOM 991 CA GLU A 62 -0.824 47.033 8.426 1.00 0.00 C ATOM 992 C GLU A 62 -1.912 47.078 9.495 1.00 0.00 C ATOM 993 O GLU A 62 -2.300 48.157 9.947 1.00 0.00 O ATOM 994 CB GLU A 62 -1.401 47.541 7.100 1.00 0.00 C ATOM 995 CG GLU A 62 -0.262 47.810 6.115 1.00 0.00 C ATOM 996 CD GLU A 62 -0.818 48.375 4.812 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.020 48.327 4.633 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.028 48.851 4.011 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.612 45.214 7.402 1.00 0.00 H new ATOM 0 HA GLU A 62 0.001 47.670 8.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.088 46.804 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.974 48.453 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.448 48.513 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.283 46.887 5.917 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.416 45.909 9.892 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.475 45.836 10.897 1.00 0.00 C ATOM 1007 C LYS A 63 -2.899 45.851 12.320 1.00 0.00 C ATOM 1008 O LYS A 63 -3.570 45.439 13.268 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.281 44.547 10.692 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.946 44.563 9.311 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.637 43.213 9.048 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.960 43.135 9.819 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.814 42.183 10.958 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.109 45.004 9.535 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.117 46.709 10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.626 43.680 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.039 44.454 11.470 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.675 45.371 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.200 44.756 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.822 43.093 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.982 42.396 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.237 44.122 10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.761 42.807 9.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.711 42.129 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.569 41.240 10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.061 42.515 11.594 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.678 46.358 12.471 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.060 46.454 13.793 1.00 0.00 C ATOM 1029 C TRP A 64 0.278 47.184 13.727 1.00 0.00 C ATOM 1030 O TRP A 64 0.569 48.045 14.558 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.855 45.070 14.418 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.044 43.998 13.397 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.295 43.844 12.282 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.022 42.918 13.388 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.742 42.729 11.597 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.812 42.131 12.234 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.062 42.549 14.262 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.603 41.015 11.955 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.861 41.428 13.983 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.631 40.663 12.831 1.00 0.00 C ATOM 0 H TRP A 64 -1.102 46.705 11.705 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.745 47.025 14.421 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.146 45.002 14.843 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.560 44.927 15.237 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.518 44.486 11.977 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.332 42.389 10.727 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.247 43.131 15.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.421 40.428 11.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.657 41.154 14.660 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.249 39.802 12.622 1.00 0.00 H new ATOM 1051 N LYS A 65 1.094 46.822 12.744 1.00 0.00 N ATOM 1052 CA LYS A 65 2.408 47.431 12.589 1.00 0.00 C ATOM 1053 C LYS A 65 3.260 47.172 13.830 1.00 0.00 C ATOM 1054 O LYS A 65 4.372 47.683 13.952 1.00 0.00 O ATOM 1055 CB LYS A 65 2.263 48.936 12.354 1.00 0.00 C ATOM 1056 CG LYS A 65 1.536 49.173 11.024 1.00 0.00 C ATOM 1057 CD LYS A 65 1.462 50.674 10.724 1.00 0.00 C ATOM 1058 CE LYS A 65 0.777 50.879 9.367 1.00 0.00 C ATOM 1059 NZ LYS A 65 0.948 52.292 8.919 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.870 46.113 12.046 1.00 0.00 H new ATOM 0 HA LYS A 65 2.903 46.985 11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.706 49.392 13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.245 49.409 12.334 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.059 48.659 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.531 48.754 11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.906 51.188 11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.463 51.105 10.709 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.204 50.200 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.283 50.639 9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.481 52.423 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.521 52.932 9.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.961 52.507 8.827 1.00 0.00 H new ATOM 1073 N SER A 66 2.725 46.363 14.745 1.00 0.00 N ATOM 1074 CA SER A 66 3.439 46.022 15.974 1.00 0.00 C ATOM 1075 C SER A 66 4.286 44.768 15.766 1.00 0.00 C ATOM 1076 O SER A 66 4.215 44.131 14.716 1.00 0.00 O ATOM 1077 CB SER A 66 2.447 45.779 17.104 1.00 0.00 C ATOM 1078 OG SER A 66 1.787 44.550 16.871 1.00 0.00 O ATOM 0 H SER A 66 1.804 45.934 14.658 1.00 0.00 H new ATOM 0 HA SER A 66 4.091 46.855 16.236 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.965 45.754 18.063 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.724 46.593 17.154 1.00 0.00 H new ATOM 0 HG SER A 66 2.298 43.821 17.281 1.00 0.00 H new ATOM 1084 N LYS A 67 5.089 44.419 16.768 1.00 0.00 N ATOM 1085 CA LYS A 67 5.946 43.238 16.667 1.00 0.00 C ATOM 1086 C LYS A 67 5.363 42.041 17.428 1.00 0.00 C ATOM 1087 O LYS A 67 5.014 41.020 16.831 1.00 0.00 O ATOM 1088 CB LYS A 67 7.340 43.561 17.215 1.00 0.00 C ATOM 1089 CG LYS A 67 8.302 42.410 16.897 1.00 0.00 C ATOM 1090 CD LYS A 67 8.863 42.588 15.480 1.00 0.00 C ATOM 1091 CE LYS A 67 9.495 41.279 14.990 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.473 41.260 13.500 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.165 44.928 17.648 1.00 0.00 H new ATOM 0 HA LYS A 67 6.010 42.967 15.613 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.708 44.487 16.774 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.290 43.718 18.292 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.116 42.391 17.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.782 41.455 16.976 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.066 42.891 14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.607 43.384 15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.519 41.196 15.353 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.947 40.424 15.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.151 40.328 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.823 41.994 13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.430 41.445 13.136 1.00 0.00 H new ATOM 1106 N GLU A 68 5.302 42.159 18.751 1.00 0.00 N ATOM 1107 CA GLU A 68 4.812 41.063 19.584 1.00 0.00 C ATOM 1108 C GLU A 68 3.355 40.707 19.292 1.00 0.00 C ATOM 1109 O GLU A 68 3.003 39.529 19.259 1.00 0.00 O ATOM 1110 CB GLU A 68 4.953 41.435 21.063 1.00 0.00 C ATOM 1111 CG GLU A 68 3.690 42.163 21.530 1.00 0.00 C ATOM 1112 CD GLU A 68 3.876 42.666 22.955 1.00 0.00 C ATOM 1113 OE1 GLU A 68 4.888 42.338 23.550 1.00 0.00 O ATOM 1114 OE2 GLU A 68 2.998 43.366 23.432 1.00 0.00 O1- ATOM 0 H GLU A 68 5.582 42.993 19.266 1.00 0.00 H new ATOM 0 HA GLU A 68 5.418 40.188 19.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.110 40.537 21.661 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.826 42.071 21.207 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.476 43.000 20.865 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.834 41.490 21.482 1.00 0.00 H new ATOM 1121 N ASP A 69 2.500 41.710 19.104 1.00 0.00 N ATOM 1122 CA ASP A 69 1.091 41.427 18.847 1.00 0.00 C ATOM 1123 C ASP A 69 0.932 40.593 17.581 1.00 0.00 C ATOM 1124 O ASP A 69 0.179 39.622 17.560 1.00 0.00 O ATOM 1125 CB ASP A 69 0.288 42.725 18.714 1.00 0.00 C ATOM 1126 CG ASP A 69 -1.203 42.443 18.889 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.541 41.325 19.244 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.986 43.351 18.662 1.00 0.00 O ATOM 0 H ASP A 69 2.748 42.699 19.124 1.00 0.00 H new ATOM 0 HA ASP A 69 0.706 40.862 19.696 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.620 43.445 19.462 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.468 43.174 17.737 1.00 0.00 H new ATOM 1133 N ILE A 70 1.632 40.979 16.522 1.00 0.00 N ATOM 1134 CA ILE A 70 1.538 40.254 15.260 1.00 0.00 C ATOM 1135 C ILE A 70 1.935 38.794 15.416 1.00 0.00 C ATOM 1136 O ILE A 70 1.259 37.904 14.899 1.00 0.00 O ATOM 1137 CB ILE A 70 2.412 40.910 14.198 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.867 42.313 13.935 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.357 40.070 12.917 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.652 42.985 12.808 1.00 0.00 C ATOM 0 H ILE A 70 2.264 41.780 16.510 1.00 0.00 H new ATOM 0 HA ILE A 70 0.495 40.291 14.946 1.00 0.00 H new ATOM 0 HB ILE A 70 3.448 40.975 14.531 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.812 42.256 13.669 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.935 42.913 14.843 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.980 40.533 12.152 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.724 39.065 13.125 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.328 40.014 12.562 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.253 43.984 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.702 43.059 13.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.561 42.392 11.898 1.00 0.00 H new ATOM 1152 N LEU A 71 3.024 38.546 16.127 1.00 0.00 N ATOM 1153 CA LEU A 71 3.468 37.175 16.324 1.00 0.00 C ATOM 1154 C LEU A 71 2.360 36.355 16.969 1.00 0.00 C ATOM 1155 O LEU A 71 2.148 35.198 16.620 1.00 0.00 O ATOM 1156 CB LEU A 71 4.700 37.139 17.223 1.00 0.00 C ATOM 1157 CG LEU A 71 5.915 37.748 16.513 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.127 37.660 17.440 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.218 36.972 15.229 1.00 0.00 C ATOM 0 H LEU A 71 3.606 39.258 16.568 1.00 0.00 H new ATOM 0 HA LEU A 71 3.718 36.753 15.351 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.499 37.687 18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.918 36.109 17.506 1.00 0.00 H new ATOM 0 HG LEU A 71 5.700 38.787 16.264 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.997 38.091 16.944 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.923 38.211 18.358 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.327 36.616 17.680 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.083 37.413 14.733 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.432 35.932 15.474 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.356 37.018 14.564 1.00 0.00 H new ATOM 1171 N HIS A 72 1.657 36.968 17.915 1.00 0.00 N ATOM 1172 CA HIS A 72 0.573 36.285 18.616 1.00 0.00 C ATOM 1173 C HIS A 72 -0.526 35.840 17.654 1.00 0.00 C ATOM 1174 O HIS A 72 -0.982 34.697 17.709 1.00 0.00 O ATOM 1175 CB HIS A 72 -0.024 37.207 19.682 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.130 36.483 20.395 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.466 36.808 20.218 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.114 35.434 21.281 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -3.190 35.968 20.982 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.414 35.110 21.649 1.00 0.00 N ATOM 0 H HIS A 72 1.816 37.930 18.214 1.00 0.00 H new ATOM 0 HA HIS A 72 0.992 35.397 19.088 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.746 37.509 20.392 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.407 38.117 19.220 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.225 34.936 21.638 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.268 35.986 21.047 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.712 34.375 22.291 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.947 36.739 16.775 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.993 36.402 15.814 1.00 0.00 C ATOM 1191 C LYS A 73 -1.527 35.298 14.873 1.00 0.00 C ATOM 1192 O LYS A 73 -2.210 34.290 14.708 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.401 37.635 15.016 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.396 38.460 15.833 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.882 38.631 17.261 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.752 39.656 17.979 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.114 39.085 18.167 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.589 37.692 16.705 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.859 36.040 16.368 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.523 38.235 14.778 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.850 37.337 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.539 39.436 15.370 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.368 37.967 15.844 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.910 37.677 17.788 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.843 38.960 17.251 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.314 39.912 18.944 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.806 40.577 17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.653 39.682 18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.605 39.050 17.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.037 38.123 18.555 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.360 35.476 14.266 1.00 0.00 N ATOM 1212 CA LEU A 74 0.151 34.454 13.367 1.00 0.00 C ATOM 1213 C LEU A 74 0.305 33.130 14.108 1.00 0.00 C ATOM 1214 O LEU A 74 0.071 32.071 13.537 1.00 0.00 O ATOM 1215 CB LEU A 74 1.489 34.884 12.755 1.00 0.00 C ATOM 1216 CG LEU A 74 1.245 35.809 11.552 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.223 36.892 11.905 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.559 36.482 11.147 1.00 0.00 C ATOM 0 H LEU A 74 0.236 36.297 14.376 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.565 34.321 12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.092 35.399 13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.053 34.006 12.440 1.00 0.00 H new ATOM 0 HG LEU A 74 0.860 35.208 10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.063 37.537 11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.720 36.424 12.188 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.597 37.487 12.738 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.384 37.138 10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.940 37.068 11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.289 35.720 10.875 1.00 0.00 H new ATOM 1230 N ASN A 75 0.683 33.188 15.385 1.00 0.00 N ATOM 1231 CA ASN A 75 0.841 31.967 16.170 1.00 0.00 C ATOM 1232 C ASN A 75 -0.447 31.151 16.143 1.00 0.00 C ATOM 1233 O ASN A 75 -0.428 29.958 15.847 1.00 0.00 O ATOM 1234 CB ASN A 75 1.177 32.312 17.623 1.00 0.00 C ATOM 1235 CG ASN A 75 2.504 33.054 17.700 1.00 0.00 C ATOM 1236 OD1 ASN A 75 2.664 33.956 18.522 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.468 32.735 16.883 1.00 0.00 N ATOM 0 H ASN A 75 0.882 34.052 15.890 1.00 0.00 H new ATOM 0 HA ASN A 75 1.653 31.384 15.734 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.384 32.926 18.050 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.228 31.400 18.217 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.357 33.233 16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.333 31.987 16.203 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.568 31.805 16.455 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.857 31.120 16.466 1.00 0.00 C ATOM 1246 C GLU A 76 -3.263 30.704 15.059 1.00 0.00 C ATOM 1247 O GLU A 76 -3.863 29.647 14.863 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.947 32.019 17.059 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.657 32.284 18.541 1.00 0.00 C ATOM 1250 CD GLU A 76 -3.044 33.668 18.721 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -3.293 34.522 17.886 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -2.340 33.860 19.700 1.00 0.00 O ATOM 0 H GLU A 76 -1.608 32.794 16.700 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.749 30.230 17.086 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.989 32.962 16.514 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.922 31.544 16.950 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.579 32.209 19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.977 31.525 18.927 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.930 31.536 14.080 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.271 31.225 12.701 1.00 0.00 C ATOM 1261 C GLN A 77 -2.380 30.102 12.184 1.00 0.00 C ATOM 1262 O GLN A 77 -2.835 29.218 11.460 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.123 32.468 11.817 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.479 33.171 11.691 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.960 33.644 13.059 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.205 34.268 13.803 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.184 33.386 13.436 1.00 0.00 N ATOM 0 H GLN A 77 -2.433 32.417 14.213 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.310 30.898 12.664 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.388 33.148 12.247 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.756 32.184 10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.394 34.021 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.210 32.490 11.257 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.809 32.869 12.818 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.514 33.702 14.348 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.111 30.136 12.579 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.164 29.108 12.170 1.00 0.00 C ATOM 1278 C TRP A 78 -0.641 27.734 12.638 1.00 0.00 C ATOM 1279 O TRP A 78 -0.605 26.764 11.881 1.00 0.00 O ATOM 1280 CB TRP A 78 1.212 29.406 12.770 1.00 0.00 C ATOM 1281 CG TRP A 78 2.283 28.785 11.933 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.410 27.462 11.675 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.387 29.444 11.251 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.524 27.272 10.873 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.158 28.463 10.588 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.788 30.787 11.145 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.291 28.802 9.845 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.928 31.132 10.400 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.677 30.142 9.754 1.00 0.00 C ATOM 0 H TRP A 78 -0.717 30.861 13.179 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.094 29.107 11.082 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.365 30.483 12.830 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.265 29.019 13.788 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.753 26.684 12.034 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.837 26.362 10.535 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.216 31.558 11.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.864 28.035 9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.228 32.167 10.325 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.554 30.414 9.185 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.084 27.661 13.896 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.563 26.400 14.460 1.00 0.00 C ATOM 1302 C ASN A 79 -2.798 25.903 13.721 1.00 0.00 C ATOM 1303 O ASN A 79 -2.924 24.711 13.439 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.912 26.578 15.938 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.645 26.791 16.757 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.477 27.055 16.145 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.679 26.720 17.985 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.120 28.454 14.537 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.763 25.667 14.353 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.581 27.430 16.061 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.445 25.699 16.301 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.558 26.513 18.460 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.172 26.868 18.528 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.709 26.820 13.413 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.931 26.456 12.711 1.00 0.00 C ATOM 1316 C LYS A 80 -4.683 26.460 11.206 1.00 0.00 C ATOM 1317 O LYS A 80 -5.589 26.204 10.415 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.055 27.443 13.048 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.375 27.382 14.545 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.577 28.281 14.850 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.688 28.487 16.362 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.618 29.421 16.807 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.625 27.812 13.637 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.231 25.457 13.028 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.757 28.455 12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.946 27.204 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.592 26.355 14.839 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.510 27.704 15.125 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.463 29.242 14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.491 27.828 14.466 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.668 28.890 16.615 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.593 27.532 16.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.883 29.842 17.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.724 28.900 16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.499 30.174 16.100 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.446 26.760 10.826 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.076 26.804 9.418 1.00 0.00 C ATOM 1338 C ASP A 81 -3.966 27.785 8.662 1.00 0.00 C ATOM 1339 O ASP A 81 -3.761 28.979 8.815 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.198 25.409 8.803 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.160 24.482 9.426 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.303 24.979 10.140 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -2.237 23.290 9.183 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -4.840 27.330 7.944 1.00 0.00 O ATOM 0 H ASP A 81 -2.686 26.975 11.471 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.042 27.141 9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.200 25.014 8.970 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.052 25.462 7.724 1.00 0.00 H new