USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 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 30 GLN : amide:sc= -2! C(o=-2.8!,f=-4.7!) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.827 K(o=-2.8,f=-7.7!) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -0.134 K(o=-0.77,f=-1.7) USER MOD Set 2.2: A 77 GLN : amide:sc= -0.639 K(o=-0.77,f=-2!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -179:sc= -0.481 (180deg=-0.149) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -5.02! C(o=-5.5!,f=-6.9!) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0.81 (180deg=0.364) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.575 USER MOD Single : A 15 ASN : amide:sc= -0.429 K(o=-0.43,f=-2.3!) USER MOD Single : A 16 GLN : amide:sc= -6.39! C(o=-6.4!,f=-7!) USER MOD Single : A 19 GLN :FLIP amide:sc= -6.21! C(o=-7.6!,f=-6.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.471 K(o=-0.47,f=-7.6!) USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= 0.0523 (180deg=-0.518) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN :FLIP amide:sc= -4! C(o=-7.1!,f=-4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -165:sc= -0.749 (180deg=-2.14) USER MOD Single : A 61 CYS SG : rot -67:sc= -4.28! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -1.19! (180deg=-2.04!) USER MOD Single : A 66 SER OG : rot -153:sc= -1.65! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.00642 K(o=-0.0064,f=-1.5!) USER MOD Single : A 80 LYS NZ :NH3+ 152:sc= -0.183 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.050 51.056 1.816 1.00 0.00 N ATOM 93 CA LYS A 8 4.111 49.677 2.287 1.00 0.00 C ATOM 94 C LYS A 8 5.567 49.285 2.517 1.00 0.00 C ATOM 95 O LYS A 8 6.468 50.108 2.357 1.00 0.00 O ATOM 96 CB LYS A 8 3.502 48.729 1.251 1.00 0.00 C ATOM 97 CG LYS A 8 2.031 49.074 1.012 1.00 0.00 C ATOM 98 CD LYS A 8 1.438 48.054 0.038 1.00 0.00 C ATOM 99 CE LYS A 8 0.056 48.516 -0.425 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.548 49.404 0.607 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.547 49.601 3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.055 48.799 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.589 47.699 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.482 49.060 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.941 50.081 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.097 47.934 -0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.362 47.080 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.138 49.048 -1.373 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.587 47.653 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.541 49.593 0.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.501 48.939 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.024 50.301 0.643 1.00 0.00 H new ATOM 114 N PHE A 9 5.796 48.032 2.896 1.00 0.00 N ATOM 115 CA PHE A 9 7.154 47.561 3.146 1.00 0.00 C ATOM 116 C PHE A 9 7.856 47.156 1.855 1.00 0.00 C ATOM 117 O PHE A 9 7.238 46.625 0.931 1.00 0.00 O ATOM 118 CB PHE A 9 7.133 46.364 4.092 1.00 0.00 C ATOM 119 CG PHE A 9 6.651 46.810 5.450 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.284 46.792 5.752 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.574 47.252 6.404 1.00 0.00 C ATOM 122 CE1 PHE A 9 4.840 47.214 7.012 1.00 0.00 C ATOM 123 CE2 PHE A 9 7.132 47.674 7.663 1.00 0.00 C ATOM 124 CZ PHE A 9 5.765 47.655 7.967 1.00 0.00 C ATOM 0 H PHE A 9 5.068 47.331 3.036 1.00 0.00 H new ATOM 0 HA PHE A 9 7.703 48.387 3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.478 45.586 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.130 45.931 4.171 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.572 46.453 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.628 47.268 6.169 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.786 47.199 7.247 1.00 0.00 H new ATOM 0 HE2 PHE A 9 7.845 48.014 8.400 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.424 47.981 8.939 1.00 0.00 H new ATOM 134 N THR A 10 9.157 47.406 1.813 1.00 0.00 N ATOM 135 CA THR A 10 9.963 47.061 0.648 1.00 0.00 C ATOM 136 C THR A 10 10.435 45.616 0.732 1.00 0.00 C ATOM 137 O THR A 10 10.424 45.011 1.804 1.00 0.00 O ATOM 138 CB THR A 10 11.183 47.970 0.585 1.00 0.00 C ATOM 139 OG1 THR A 10 12.032 47.684 1.687 1.00 0.00 O ATOM 140 CG2 THR A 10 10.737 49.429 0.643 1.00 0.00 C ATOM 0 H THR A 10 9.678 47.846 2.571 1.00 0.00 H new ATOM 0 HA THR A 10 9.350 47.188 -0.244 1.00 0.00 H new ATOM 0 HB THR A 10 11.723 47.799 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.821 48.265 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.611 50.079 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.082 49.643 -0.201 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.199 49.608 1.574 1.00 0.00 H new ATOM 148 N ASP A 11 10.864 45.067 -0.401 1.00 0.00 N ATOM 149 CA ASP A 11 11.355 43.695 -0.423 1.00 0.00 C ATOM 150 C ASP A 11 12.476 43.518 0.590 1.00 0.00 C ATOM 151 O ASP A 11 12.560 42.489 1.256 1.00 0.00 O ATOM 152 CB ASP A 11 11.866 43.331 -1.820 1.00 0.00 C ATOM 153 CG ASP A 11 10.686 43.070 -2.747 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.567 43.303 -2.324 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.918 42.628 -3.860 1.00 0.00 O1- ATOM 0 H ASP A 11 10.882 45.544 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 11 10.529 43.034 -0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.479 44.141 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.501 42.447 -1.766 1.00 0.00 H new ATOM 160 N ASP A 12 13.335 44.529 0.709 1.00 0.00 N ATOM 161 CA ASP A 12 14.432 44.456 1.654 1.00 0.00 C ATOM 162 C ASP A 12 13.884 44.399 3.067 1.00 0.00 C ATOM 163 O ASP A 12 14.295 43.565 3.871 1.00 0.00 O ATOM 164 CB ASP A 12 15.339 45.676 1.495 1.00 0.00 C ATOM 165 CG ASP A 12 16.032 45.635 0.138 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.061 44.572 -0.458 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.523 46.668 -0.285 1.00 0.00 O ATOM 0 H ASP A 12 13.289 45.393 0.169 1.00 0.00 H new ATOM 0 HA ASP A 12 15.014 43.556 1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.752 46.590 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.082 45.694 2.292 1.00 0.00 H new ATOM 172 N GLU A 13 12.931 45.277 3.348 1.00 0.00 N ATOM 173 CA GLU A 13 12.308 45.310 4.661 1.00 0.00 C ATOM 174 C GLU A 13 11.538 44.026 4.897 1.00 0.00 C ATOM 175 O GLU A 13 11.515 43.487 6.004 1.00 0.00 O ATOM 176 CB GLU A 13 11.338 46.483 4.742 1.00 0.00 C ATOM 177 CG GLU A 13 12.114 47.800 4.753 1.00 0.00 C ATOM 178 CD GLU A 13 13.069 47.832 5.942 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.865 47.059 6.864 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 13.990 48.631 5.914 1.00 0.00 O ATOM 0 H GLU A 13 12.576 45.970 2.689 1.00 0.00 H new ATOM 0 HA GLU A 13 13.086 45.419 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.655 46.460 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.730 46.402 5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.673 47.910 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.421 48.640 4.810 1.00 0.00 H new ATOM 187 N TRP A 14 10.901 43.548 3.841 1.00 0.00 N ATOM 188 CA TRP A 14 10.120 42.338 3.923 1.00 0.00 C ATOM 189 C TRP A 14 11.008 41.155 4.276 1.00 0.00 C ATOM 190 O TRP A 14 10.683 40.375 5.167 1.00 0.00 O ATOM 191 CB TRP A 14 9.430 42.102 2.583 1.00 0.00 C ATOM 192 CG TRP A 14 8.137 41.407 2.814 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.759 40.256 2.222 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.042 41.804 3.686 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.494 39.917 2.671 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.013 40.843 3.579 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.846 42.897 4.550 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.828 40.960 4.304 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.656 43.019 5.281 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.651 42.052 5.162 1.00 0.00 C ATOM 0 H TRP A 14 10.913 43.984 2.919 1.00 0.00 H new ATOM 0 HA TRP A 14 9.370 42.443 4.707 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.260 43.052 2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.067 41.503 1.933 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.347 39.691 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.981 39.088 2.370 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.617 43.647 4.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.053 40.214 4.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.514 43.863 5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.739 42.148 5.732 1.00 0.00 H new ATOM 211 N ASN A 15 12.130 41.025 3.579 1.00 0.00 N ATOM 212 CA ASN A 15 13.050 39.925 3.840 1.00 0.00 C ATOM 213 C ASN A 15 13.469 39.905 5.306 1.00 0.00 C ATOM 214 O ASN A 15 13.532 38.846 5.932 1.00 0.00 O ATOM 215 CB ASN A 15 14.282 40.079 2.951 1.00 0.00 C ATOM 216 CG ASN A 15 13.888 39.915 1.486 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.792 39.444 1.187 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.721 40.279 0.548 1.00 0.00 N ATOM 0 H ASN A 15 12.423 41.660 2.836 1.00 0.00 H new ATOM 0 HA ASN A 15 12.547 38.984 3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.734 41.058 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.031 39.335 3.221 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.463 40.173 -0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.630 40.670 0.797 1.00 0.00 H new ATOM 225 N GLN A 16 13.734 41.083 5.856 1.00 0.00 N ATOM 226 CA GLN A 16 14.128 41.174 7.258 1.00 0.00 C ATOM 227 C GLN A 16 12.973 40.721 8.144 1.00 0.00 C ATOM 228 O GLN A 16 13.168 39.993 9.117 1.00 0.00 O ATOM 229 CB GLN A 16 14.533 42.606 7.602 1.00 0.00 C ATOM 230 CG GLN A 16 15.812 42.962 6.837 1.00 0.00 C ATOM 231 CD GLN A 16 15.626 44.266 6.072 1.00 0.00 C ATOM 232 OE1 GLN A 16 16.049 44.372 4.922 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.023 45.273 6.640 1.00 0.00 N ATOM 0 H GLN A 16 13.685 41.975 5.364 1.00 0.00 H new ATOM 0 HA GLN A 16 14.986 40.524 7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.732 43.297 7.338 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.697 42.703 8.675 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.645 43.057 7.533 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.065 42.159 6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.672 45.185 7.594 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.902 46.148 6.131 1.00 0.00 H new ATOM 242 N LEU A 17 11.768 41.148 7.788 1.00 0.00 N ATOM 243 CA LEU A 17 10.581 40.770 8.544 1.00 0.00 C ATOM 244 C LEU A 17 10.449 39.251 8.559 1.00 0.00 C ATOM 245 O LEU A 17 10.068 38.657 9.567 1.00 0.00 O ATOM 246 CB LEU A 17 9.340 41.392 7.900 1.00 0.00 C ATOM 247 CG LEU A 17 8.094 41.009 8.700 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.077 41.769 10.026 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.843 41.369 7.895 1.00 0.00 C ATOM 0 H LEU A 17 11.587 41.752 6.986 1.00 0.00 H new ATOM 0 HA LEU A 17 10.672 41.134 9.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.442 42.477 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.242 41.048 6.870 1.00 0.00 H new ATOM 0 HG LEU A 17 8.109 39.937 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.188 41.493 10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.967 41.516 10.602 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.064 42.841 9.831 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.954 41.097 8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.833 42.441 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.850 40.826 6.950 1.00 0.00 H new ATOM 261 N LYS A 18 10.780 38.630 7.431 1.00 0.00 N ATOM 262 CA LYS A 18 10.712 37.177 7.323 1.00 0.00 C ATOM 263 C LYS A 18 11.628 36.518 8.345 1.00 0.00 C ATOM 264 O LYS A 18 11.238 35.551 8.998 1.00 0.00 O ATOM 265 CB LYS A 18 11.118 36.736 5.919 1.00 0.00 C ATOM 266 CG LYS A 18 10.090 37.250 4.911 1.00 0.00 C ATOM 267 CD LYS A 18 10.456 36.764 3.508 1.00 0.00 C ATOM 268 CE LYS A 18 9.685 37.578 2.468 1.00 0.00 C ATOM 269 NZ LYS A 18 9.060 36.661 1.474 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.095 39.105 6.586 1.00 0.00 H new ATOM 0 HA LYS A 18 9.685 36.869 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.108 37.123 5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.180 35.649 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.094 36.897 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.059 38.339 4.932 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.529 36.868 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.219 35.705 3.405 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.917 38.177 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.358 38.272 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.551 37.219 0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.800 36.096 1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.393 36.027 1.958 1.00 0.00 H new ATOM 283 N GLN A 19 12.849 37.037 8.488 1.00 0.00 N ATOM 284 CA GLN A 19 13.784 36.460 9.446 1.00 0.00 C ATOM 285 C GLN A 19 13.219 36.559 10.855 1.00 0.00 C ATOM 286 O GLN A 19 13.294 35.603 11.623 1.00 0.00 O ATOM 287 CB GLN A 19 15.147 37.157 9.374 1.00 0.00 C ATOM 288 CG GLN A 19 15.973 36.532 8.247 1.00 0.00 C ATOM 289 CD GLN A 19 15.153 36.476 6.964 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.419 35.426 6.718 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 15.185 37.410 6.166 1.00 0.00 N flip ATOM 0 H GLN A 19 13.205 37.837 7.965 1.00 0.00 H new ATOM 0 HA GLN A 19 13.926 35.410 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.014 38.224 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.671 37.056 10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.879 37.116 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.288 35.528 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.760 38.229 6.362 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.636 37.366 5.307 1.00 0.00 H new ATOM 300 N ASP A 20 12.640 37.711 11.189 1.00 0.00 N ATOM 301 CA ASP A 20 12.056 37.894 12.509 1.00 0.00 C ATOM 302 C ASP A 20 10.939 36.878 12.729 1.00 0.00 C ATOM 303 O ASP A 20 10.789 36.336 13.822 1.00 0.00 O ATOM 304 CB ASP A 20 11.511 39.321 12.649 1.00 0.00 C ATOM 305 CG ASP A 20 12.661 40.325 12.712 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.798 39.891 12.780 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.384 41.514 12.695 1.00 0.00 O1- ATOM 0 H ASP A 20 12.565 38.519 10.571 1.00 0.00 H new ATOM 0 HA ASP A 20 12.827 37.738 13.264 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.862 39.554 11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.902 39.398 13.550 1.00 0.00 H new ATOM 312 N PHE A 21 10.162 36.611 11.681 1.00 0.00 N ATOM 313 CA PHE A 21 9.075 35.646 11.786 1.00 0.00 C ATOM 314 C PHE A 21 9.638 34.233 11.911 1.00 0.00 C ATOM 315 O PHE A 21 9.276 33.482 12.816 1.00 0.00 O ATOM 316 CB PHE A 21 8.182 35.727 10.550 1.00 0.00 C ATOM 317 CG PHE A 21 7.253 36.916 10.655 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.580 38.015 11.467 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.055 36.917 9.934 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.708 39.107 11.549 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.185 38.009 10.020 1.00 0.00 C ATOM 322 CZ PHE A 21 5.511 39.104 10.826 1.00 0.00 C ATOM 0 H PHE A 21 10.264 37.043 10.763 1.00 0.00 H new ATOM 0 HA PHE A 21 8.487 35.880 12.673 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.796 35.814 9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.601 34.810 10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.503 38.017 12.027 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.801 36.073 9.310 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.960 39.953 12.171 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.260 38.006 9.463 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.839 39.947 10.890 1.00 0.00 H new ATOM 332 N ILE A 22 10.546 33.887 11.005 1.00 0.00 N ATOM 333 CA ILE A 22 11.166 32.569 11.042 1.00 0.00 C ATOM 334 C ILE A 22 11.836 32.379 12.395 1.00 0.00 C ATOM 335 O ILE A 22 11.726 31.324 13.019 1.00 0.00 O ATOM 336 CB ILE A 22 12.194 32.435 9.921 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.492 32.607 8.574 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.830 31.045 9.980 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.520 32.969 7.501 1.00 0.00 C ATOM 0 H ILE A 22 10.865 34.491 10.247 1.00 0.00 H new ATOM 0 HA ILE A 22 10.404 31.803 10.899 1.00 0.00 H new ATOM 0 HB ILE A 22 12.965 33.197 10.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.976 31.686 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.735 33.388 8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.564 30.947 9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.322 30.911 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.057 30.286 9.858 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.017 33.091 6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.016 33.901 7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.261 32.173 7.424 1.00 0.00 H new ATOM 351 N SER A 23 12.521 33.421 12.849 1.00 0.00 N ATOM 352 CA SER A 23 13.189 33.372 14.140 1.00 0.00 C ATOM 353 C SER A 23 12.167 33.060 15.228 1.00 0.00 C ATOM 354 O SER A 23 12.416 32.243 16.111 1.00 0.00 O ATOM 355 CB SER A 23 13.862 34.710 14.439 1.00 0.00 C ATOM 356 OG SER A 23 14.716 34.563 15.567 1.00 0.00 O ATOM 0 H SER A 23 12.627 34.302 12.346 1.00 0.00 H new ATOM 0 HA SER A 23 13.950 32.592 14.116 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.436 35.043 13.574 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.109 35.473 14.635 1.00 0.00 H new ATOM 0 HG SER A 23 15.151 35.419 15.762 1.00 0.00 H new ATOM 362 N GLY A 24 11.007 33.707 15.144 1.00 0.00 N ATOM 363 CA GLY A 24 9.947 33.475 16.116 1.00 0.00 C ATOM 364 C GLY A 24 9.506 32.017 16.077 1.00 0.00 C ATOM 365 O GLY A 24 9.102 31.454 17.093 1.00 0.00 O ATOM 0 H GLY A 24 10.780 34.389 14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.299 33.729 17.116 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.099 34.125 15.902 1.00 0.00 H new ATOM 369 N ILE A 25 9.601 31.408 14.896 1.00 0.00 N ATOM 370 CA ILE A 25 9.222 30.006 14.729 1.00 0.00 C ATOM 371 C ILE A 25 10.253 29.100 15.397 1.00 0.00 C ATOM 372 O ILE A 25 9.902 28.196 16.154 1.00 0.00 O ATOM 373 CB ILE A 25 9.134 29.675 13.236 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.012 30.496 12.594 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.858 28.183 13.039 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.676 30.175 13.271 1.00 0.00 C ATOM 0 H ILE A 25 9.935 31.860 14.045 1.00 0.00 H new ATOM 0 HA ILE A 25 8.251 29.841 15.197 1.00 0.00 H new ATOM 0 HB ILE A 25 10.084 29.923 12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.230 31.560 12.687 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.952 30.274 11.528 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.798 27.962 11.973 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.665 27.602 13.485 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.914 27.921 13.518 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.883 30.763 12.809 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.455 29.114 13.155 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.738 30.419 14.331 1.00 0.00 H new ATOM 388 N LEU A 26 11.527 29.361 15.122 1.00 0.00 N ATOM 389 CA LEU A 26 12.602 28.572 15.712 1.00 0.00 C ATOM 390 C LEU A 26 12.775 28.934 17.185 1.00 0.00 C ATOM 391 O LEU A 26 13.171 28.101 17.999 1.00 0.00 O ATOM 392 CB LEU A 26 13.910 28.816 14.947 1.00 0.00 C ATOM 393 CG LEU A 26 14.772 29.846 15.686 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.440 29.188 16.897 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.852 30.377 14.738 1.00 0.00 C ATOM 0 H LEU A 26 11.838 30.107 14.499 1.00 0.00 H new ATOM 0 HA LEU A 26 12.345 27.515 15.642 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.459 27.880 14.843 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.690 29.171 13.940 1.00 0.00 H new ATOM 0 HG LEU A 26 14.141 30.668 16.024 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.052 29.924 17.419 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.674 28.807 17.573 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.070 28.364 16.562 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.467 31.110 15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.479 29.551 14.402 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.380 30.848 13.876 1.00 0.00 H new ATOM 407 N GLU A 27 12.467 30.183 17.516 1.00 0.00 N ATOM 408 CA GLU A 27 12.585 30.654 18.890 1.00 0.00 C ATOM 409 C GLU A 27 11.477 30.061 19.758 1.00 0.00 C ATOM 410 O GLU A 27 11.704 29.703 20.912 1.00 0.00 O ATOM 411 CB GLU A 27 12.502 32.182 18.919 1.00 0.00 C ATOM 412 CG GLU A 27 12.886 32.702 20.306 1.00 0.00 C ATOM 413 CD GLU A 27 11.636 32.905 21.156 1.00 0.00 C ATOM 414 OE1 GLU A 27 10.560 32.585 20.680 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 11.773 33.379 22.272 1.00 0.00 O ATOM 0 H GLU A 27 12.135 30.885 16.854 1.00 0.00 H new ATOM 0 HA GLU A 27 13.548 30.333 19.288 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.167 32.605 18.166 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.491 32.504 18.668 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.556 31.995 20.795 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.428 33.643 20.213 1.00 0.00 H new ATOM 422 N ASN A 28 10.278 29.959 19.193 1.00 0.00 N ATOM 423 CA ASN A 28 9.144 29.411 19.925 1.00 0.00 C ATOM 424 C ASN A 28 9.111 27.893 19.807 1.00 0.00 C ATOM 425 O ASN A 28 9.544 27.327 18.804 1.00 0.00 O ATOM 426 CB ASN A 28 7.839 29.986 19.376 1.00 0.00 C ATOM 427 CG ASN A 28 6.734 29.857 20.417 1.00 0.00 C ATOM 428 OD1 ASN A 28 6.911 29.194 21.438 1.00 0.00 O ATOM 429 ND2 ASN A 28 5.595 30.462 20.216 1.00 0.00 N ATOM 0 H ASN A 28 10.068 30.247 18.237 1.00 0.00 H new ATOM 0 HA ASN A 28 9.253 29.684 20.975 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.978 31.034 19.109 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.555 29.459 18.465 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.848 30.386 20.907 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.452 31.011 19.368 1.00 0.00 H new ATOM 436 N GLU A 29 8.587 27.238 20.830 1.00 0.00 N ATOM 437 CA GLU A 29 8.495 25.785 20.819 1.00 0.00 C ATOM 438 C GLU A 29 7.761 25.312 19.570 1.00 0.00 C ATOM 439 O GLU A 29 8.014 24.219 19.064 1.00 0.00 O ATOM 440 CB GLU A 29 7.757 25.298 22.064 1.00 0.00 C ATOM 441 CG GLU A 29 7.675 23.769 22.049 1.00 0.00 C ATOM 442 CD GLU A 29 9.068 23.158 22.167 1.00 0.00 C ATOM 443 OE1 GLU A 29 9.971 23.861 22.586 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 9.211 21.993 21.829 1.00 0.00 O ATOM 0 H GLU A 29 8.222 27.683 21.672 1.00 0.00 H new ATOM 0 HA GLU A 29 9.504 25.372 20.815 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.276 25.635 22.961 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.755 25.725 22.095 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.049 23.424 22.872 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.201 23.433 21.127 1.00 0.00 H new ATOM 451 N GLN A 30 6.853 26.147 19.078 1.00 0.00 N ATOM 452 CA GLN A 30 6.086 25.813 17.888 1.00 0.00 C ATOM 453 C GLN A 30 7.008 25.354 16.764 1.00 0.00 C ATOM 454 O GLN A 30 6.547 24.898 15.712 1.00 0.00 O ATOM 455 CB GLN A 30 5.295 27.034 17.421 1.00 0.00 C ATOM 456 CG GLN A 30 4.235 27.391 18.464 1.00 0.00 C ATOM 457 CD GLN A 30 3.359 28.522 17.936 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.397 28.919 18.591 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.641 29.070 16.785 1.00 0.00 N ATOM 0 H GLN A 30 6.632 27.056 19.484 1.00 0.00 H new ATOM 0 HA GLN A 30 5.402 25.002 18.138 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.967 27.878 17.268 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.820 26.827 16.462 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.623 26.518 18.689 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.714 27.693 19.396 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.440 28.738 16.244 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.063 29.830 16.427 1.00 0.00 H new ATOM 468 N LYS A 31 8.312 25.484 16.977 1.00 0.00 N ATOM 469 CA LYS A 31 9.261 25.082 15.955 1.00 0.00 C ATOM 470 C LYS A 31 8.996 23.639 15.528 1.00 0.00 C ATOM 471 O LYS A 31 9.089 23.303 14.348 1.00 0.00 O ATOM 472 CB LYS A 31 10.692 25.246 16.461 1.00 0.00 C ATOM 473 CG LYS A 31 10.936 24.323 17.651 1.00 0.00 C ATOM 474 CD LYS A 31 12.330 24.605 18.215 1.00 0.00 C ATOM 475 CE LYS A 31 12.782 23.448 19.108 1.00 0.00 C ATOM 476 NZ LYS A 31 11.624 22.916 19.886 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.727 25.857 17.831 1.00 0.00 H new ATOM 0 HA LYS A 31 9.134 25.726 15.085 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.397 25.016 15.662 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.867 26.282 16.752 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.178 24.487 18.417 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.857 23.281 17.343 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.039 24.743 17.399 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.318 25.533 18.787 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.215 22.655 18.498 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.562 23.788 19.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.974 22.373 20.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.039 23.707 20.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.052 22.297 19.277 1.00 0.00 H new ATOM 490 N ASP A 32 8.629 22.795 16.487 1.00 0.00 N ATOM 491 CA ASP A 32 8.314 21.403 16.179 1.00 0.00 C ATOM 492 C ASP A 32 7.113 21.340 15.239 1.00 0.00 C ATOM 493 O ASP A 32 7.005 20.445 14.401 1.00 0.00 O ATOM 494 CB ASP A 32 7.991 20.632 17.460 1.00 0.00 C ATOM 495 CG ASP A 32 9.264 20.368 18.255 1.00 0.00 C ATOM 496 OD1 ASP A 32 10.321 20.770 17.797 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 9.163 19.766 19.311 1.00 0.00 O ATOM 0 H ASP A 32 8.543 23.045 17.472 1.00 0.00 H new ATOM 0 HA ASP A 32 9.182 20.950 15.699 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.287 21.201 18.067 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.507 19.687 17.212 1.00 0.00 H new ATOM 502 N LEU A 33 6.205 22.294 15.397 1.00 0.00 N ATOM 503 CA LEU A 33 5.003 22.342 14.573 1.00 0.00 C ATOM 504 C LEU A 33 5.366 22.521 13.105 1.00 0.00 C ATOM 505 O LEU A 33 4.863 21.807 12.230 1.00 0.00 O ATOM 506 CB LEU A 33 4.130 23.508 15.030 1.00 0.00 C ATOM 507 CG LEU A 33 2.763 23.437 14.354 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.994 22.229 14.893 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.989 24.721 14.665 1.00 0.00 C ATOM 0 H LEU A 33 6.277 23.043 16.086 1.00 0.00 H new ATOM 0 HA LEU A 33 4.460 21.403 14.683 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.011 23.480 16.113 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.616 24.453 14.787 1.00 0.00 H new ATOM 0 HG LEU A 33 2.885 23.334 13.276 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.017 22.175 14.412 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.553 21.318 14.681 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.863 22.332 15.970 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.010 24.681 14.187 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.862 24.817 15.743 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.543 25.580 14.287 1.00 0.00 H new ATOM 521 N VAL A 34 6.251 23.471 12.836 1.00 0.00 N ATOM 522 CA VAL A 34 6.665 23.707 11.456 1.00 0.00 C ATOM 523 C VAL A 34 7.471 22.521 10.945 1.00 0.00 C ATOM 524 O VAL A 34 7.475 22.231 9.749 1.00 0.00 O ATOM 525 CB VAL A 34 7.477 24.997 11.324 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.737 24.902 12.172 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.873 25.193 9.860 1.00 0.00 C ATOM 0 H VAL A 34 6.687 24.077 13.531 1.00 0.00 H new ATOM 0 HA VAL A 34 5.766 23.820 10.850 1.00 0.00 H new ATOM 0 HB VAL A 34 6.874 25.839 11.664 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.312 25.823 12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.462 24.755 13.216 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.341 24.060 11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.452 26.111 9.759 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.475 24.346 9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.975 25.262 9.246 1.00 0.00 H new ATOM 537 N ALA A 35 8.142 21.826 11.861 1.00 0.00 N ATOM 538 CA ALA A 35 8.931 20.663 11.484 1.00 0.00 C ATOM 539 C ALA A 35 8.020 19.607 10.877 1.00 0.00 C ATOM 540 O ALA A 35 8.366 18.971 9.886 1.00 0.00 O ATOM 541 CB ALA A 35 9.645 20.082 12.708 1.00 0.00 C ATOM 0 H ALA A 35 8.154 22.047 12.857 1.00 0.00 H new ATOM 0 HA ALA A 35 9.680 20.967 10.753 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.231 19.213 12.409 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.306 20.836 13.135 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.907 19.783 13.452 1.00 0.00 H new ATOM 689 N ASN A 45 12.349 25.819 7.523 1.00 0.00 N ATOM 690 CA ASN A 45 11.001 25.912 8.059 1.00 0.00 C ATOM 691 C ASN A 45 10.012 26.393 7.002 1.00 0.00 C ATOM 692 O ASN A 45 9.226 27.294 7.266 1.00 0.00 O ATOM 693 CB ASN A 45 10.997 26.880 9.241 1.00 0.00 C ATOM 694 CG ASN A 45 12.039 26.444 10.268 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.911 27.229 10.639 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.000 25.231 10.748 1.00 0.00 N ATOM 0 HA ASN A 45 10.691 24.918 8.382 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.214 27.891 8.896 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.009 26.905 9.700 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.694 24.931 11.433 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.276 24.583 10.438 1.00 0.00 H new ATOM 703 N GLN A 46 10.058 25.777 5.821 1.00 0.00 N ATOM 704 CA GLN A 46 9.150 26.125 4.719 1.00 0.00 C ATOM 705 C GLN A 46 9.303 27.587 4.279 1.00 0.00 C ATOM 706 O GLN A 46 8.319 28.287 4.063 1.00 0.00 O ATOM 707 CB GLN A 46 7.688 25.811 5.111 1.00 0.00 C ATOM 708 CG GLN A 46 6.948 27.060 5.626 1.00 0.00 C ATOM 709 CD GLN A 46 5.894 26.651 6.647 1.00 0.00 C ATOM 710 OE1 GLN A 46 6.247 25.962 7.695 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 4.716 26.967 6.480 1.00 0.00 N flip ATOM 0 H GLN A 46 10.716 25.030 5.599 1.00 0.00 H new ATOM 0 HA GLN A 46 9.423 25.511 3.861 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.160 25.407 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.677 25.040 5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.657 27.753 6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.478 27.584 4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.444 27.506 5.658 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.012 26.689 7.164 1.00 0.00 H new ATOM 720 N LEU A 47 10.543 28.045 4.125 1.00 0.00 N ATOM 721 CA LEU A 47 10.773 29.427 3.697 1.00 0.00 C ATOM 722 C LEU A 47 9.920 29.773 2.475 1.00 0.00 C ATOM 723 O LEU A 47 9.284 30.825 2.429 1.00 0.00 O ATOM 724 CB LEU A 47 12.243 29.644 3.330 1.00 0.00 C ATOM 725 CG LEU A 47 13.150 29.349 4.522 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.607 29.439 4.063 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.900 30.382 5.619 1.00 0.00 C ATOM 0 H LEU A 47 11.388 27.496 4.285 1.00 0.00 H new ATOM 0 HA LEU A 47 10.498 30.071 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.513 28.999 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.392 30.672 3.000 1.00 0.00 H new ATOM 0 HG LEU A 47 12.941 28.352 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.267 29.230 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.785 28.710 3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.808 30.441 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.547 30.172 6.471 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.116 31.379 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.858 30.333 5.934 1.00 0.00 H new ATOM 739 N ASP A 48 9.944 28.898 1.471 1.00 0.00 N ATOM 740 CA ASP A 48 9.202 29.138 0.231 1.00 0.00 C ATOM 741 C ASP A 48 7.702 29.309 0.472 1.00 0.00 C ATOM 742 O ASP A 48 7.104 30.300 0.038 1.00 0.00 O ATOM 743 CB ASP A 48 9.418 27.960 -0.718 1.00 0.00 C ATOM 744 CG ASP A 48 10.873 27.911 -1.167 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.523 28.942 -1.110 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.316 26.845 -1.562 1.00 0.00 O ATOM 0 H ASP A 48 10.465 28.021 1.489 1.00 0.00 H new ATOM 0 HA ASP A 48 9.578 30.066 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.151 27.028 -0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.765 28.057 -1.585 1.00 0.00 H new ATOM 751 N LEU A 49 7.101 28.351 1.165 1.00 0.00 N ATOM 752 CA LEU A 49 5.672 28.430 1.445 1.00 0.00 C ATOM 753 C LEU A 49 5.386 29.614 2.356 1.00 0.00 C ATOM 754 O LEU A 49 4.387 30.313 2.192 1.00 0.00 O ATOM 755 CB LEU A 49 5.178 27.144 2.109 1.00 0.00 C ATOM 756 CG LEU A 49 5.276 25.976 1.137 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.846 24.695 1.857 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.343 26.231 -0.046 1.00 0.00 C ATOM 0 H LEU A 49 7.569 27.525 1.538 1.00 0.00 H new ATOM 0 HA LEU A 49 5.145 28.561 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.771 26.936 3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.146 27.269 2.435 1.00 0.00 H new ATOM 0 HG LEU A 49 6.300 25.872 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.912 23.852 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.501 24.520 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.818 24.800 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.408 25.398 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.318 26.325 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.637 27.152 -0.549 1.00 0.00 H new ATOM 770 N LEU A 50 6.262 29.814 3.332 1.00 0.00 N ATOM 771 CA LEU A 50 6.095 30.898 4.286 1.00 0.00 C ATOM 772 C LEU A 50 6.064 32.242 3.563 1.00 0.00 C ATOM 773 O LEU A 50 5.245 33.102 3.882 1.00 0.00 O ATOM 774 CB LEU A 50 7.244 30.874 5.296 1.00 0.00 C ATOM 775 CG LEU A 50 6.772 31.461 6.626 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.962 31.589 7.573 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.165 32.843 6.398 1.00 0.00 C ATOM 0 H LEU A 50 7.092 29.241 3.482 1.00 0.00 H new ATOM 0 HA LEU A 50 5.149 30.765 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.592 29.851 5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.089 31.447 4.914 1.00 0.00 H new ATOM 0 HG LEU A 50 6.020 30.802 7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.628 32.007 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.399 30.605 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.710 32.246 7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.831 33.255 7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.915 33.502 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.315 32.760 5.720 1.00 0.00 H new ATOM 789 N HIS A 51 6.959 32.425 2.589 1.00 0.00 N ATOM 790 CA HIS A 51 7.013 33.675 1.838 1.00 0.00 C ATOM 791 C HIS A 51 5.684 33.962 1.143 1.00 0.00 C ATOM 792 O HIS A 51 5.155 35.068 1.247 1.00 0.00 O ATOM 793 CB HIS A 51 8.132 33.610 0.792 1.00 0.00 C ATOM 794 CG HIS A 51 9.469 33.631 1.478 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.633 33.985 0.814 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.844 33.338 2.764 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.644 33.897 1.697 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.219 33.506 2.900 1.00 0.00 N ATOM 0 H HIS A 51 7.649 31.729 2.306 1.00 0.00 H new ATOM 0 HA HIS A 51 7.214 34.481 2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.033 32.703 0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.051 34.453 0.106 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.174 33.025 3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.675 34.116 1.461 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.781 33.361 3.739 1.00 0.00 H new ATOM 807 N LYS A 52 5.144 32.973 0.426 1.00 0.00 N ATOM 808 CA LYS A 52 3.872 33.183 -0.273 1.00 0.00 C ATOM 809 C LYS A 52 2.772 33.507 0.731 1.00 0.00 C ATOM 810 O LYS A 52 2.012 34.460 0.559 1.00 0.00 O ATOM 811 CB LYS A 52 3.468 31.930 -1.059 1.00 0.00 C ATOM 812 CG LYS A 52 4.593 31.512 -2.017 1.00 0.00 C ATOM 813 CD LYS A 52 4.840 32.614 -3.053 1.00 0.00 C ATOM 814 CE LYS A 52 5.775 32.092 -4.149 1.00 0.00 C ATOM 815 NZ LYS A 52 5.032 31.987 -5.439 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.552 32.045 0.315 1.00 0.00 H new ATOM 0 HA LYS A 52 4.003 34.015 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.248 31.115 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.556 32.125 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.507 31.319 -1.455 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.326 30.583 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.894 32.934 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.280 33.487 -2.571 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.627 32.762 -4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.172 31.117 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.670 31.632 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.233 31.330 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.674 32.925 -5.711 1.00 0.00 H new ATOM 829 N TRP A 53 2.703 32.708 1.784 1.00 0.00 N ATOM 830 CA TRP A 53 1.710 32.905 2.831 1.00 0.00 C ATOM 831 C TRP A 53 1.812 34.321 3.390 1.00 0.00 C ATOM 832 O TRP A 53 0.832 35.071 3.451 1.00 0.00 O ATOM 833 CB TRP A 53 2.001 31.892 3.940 1.00 0.00 C ATOM 834 CG TRP A 53 0.883 31.834 4.931 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.183 31.007 4.848 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.718 32.593 6.165 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.992 31.207 5.951 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.482 32.178 6.791 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.485 33.594 6.797 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.905 32.732 8.000 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.060 34.154 8.014 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.134 33.723 8.614 1.00 0.00 C ATOM 0 H TRP A 53 3.325 31.914 1.937 1.00 0.00 H new ATOM 0 HA TRP A 53 0.705 32.765 2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.154 30.905 3.503 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.927 32.162 4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.372 30.304 4.050 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.860 30.699 6.124 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.405 33.932 6.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.823 32.397 8.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.655 34.920 8.490 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.456 34.157 9.549 1.00 0.00 H new ATOM 853 N LEU A 54 3.019 34.661 3.814 1.00 0.00 N ATOM 854 CA LEU A 54 3.279 35.969 4.394 1.00 0.00 C ATOM 855 C LEU A 54 2.854 37.079 3.438 1.00 0.00 C ATOM 856 O LEU A 54 2.174 38.024 3.840 1.00 0.00 O ATOM 857 CB LEU A 54 4.769 36.106 4.699 1.00 0.00 C ATOM 858 CG LEU A 54 5.027 37.430 5.420 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.595 37.321 6.885 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.520 37.769 5.350 1.00 0.00 C ATOM 0 H LEU A 54 3.834 34.049 3.767 1.00 0.00 H new ATOM 0 HA LEU A 54 2.702 36.060 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.102 35.273 5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.345 36.066 3.774 1.00 0.00 H new ATOM 0 HG LEU A 54 4.451 38.218 4.936 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.782 38.268 7.391 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.531 37.087 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.163 36.530 7.374 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.703 38.713 5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.096 36.977 5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.824 37.859 4.307 1.00 0.00 H new ATOM 872 N ASP A 55 3.265 36.970 2.179 1.00 0.00 N ATOM 873 CA ASP A 55 2.925 37.981 1.186 1.00 0.00 C ATOM 874 C ASP A 55 1.411 38.163 1.084 1.00 0.00 C ATOM 875 O ASP A 55 0.921 39.286 0.968 1.00 0.00 O ATOM 876 CB ASP A 55 3.501 37.586 -0.178 1.00 0.00 C ATOM 877 CG ASP A 55 5.026 37.594 -0.118 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.562 38.238 0.769 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.637 36.956 -0.960 1.00 0.00 O ATOM 0 H ASP A 55 3.830 36.198 1.825 1.00 0.00 H new ATOM 0 HA ASP A 55 3.360 38.930 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.144 36.595 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.155 38.280 -0.944 1.00 0.00 H new ATOM 884 N ARG A 56 0.669 37.058 1.126 1.00 0.00 N ATOM 885 CA ARG A 56 -0.788 37.131 1.035 1.00 0.00 C ATOM 886 C ARG A 56 -1.371 37.888 2.225 1.00 0.00 C ATOM 887 O ARG A 56 -2.428 38.511 2.114 1.00 0.00 O ATOM 888 CB ARG A 56 -1.402 35.731 0.967 1.00 0.00 C ATOM 889 CG ARG A 56 -2.900 35.863 0.673 1.00 0.00 C ATOM 890 CD ARG A 56 -3.552 34.479 0.621 1.00 0.00 C ATOM 891 NE ARG A 56 -4.954 34.606 0.227 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.291 35.054 -0.979 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.361 35.338 -1.849 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.551 35.197 -1.300 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.045 36.115 1.221 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.033 37.669 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.915 35.143 0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.247 35.205 1.909 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.377 36.469 1.443 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.048 36.379 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.022 33.844 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.481 33.997 1.596 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.686 34.347 0.888 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.379 35.216 -1.603 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.616 35.682 -2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.279 34.965 -0.624 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.806 35.541 -2.226 1.00 0.00 H new ATOM 908 N HIS A 57 -0.695 37.817 3.368 1.00 0.00 N ATOM 909 CA HIS A 57 -1.177 38.494 4.570 1.00 0.00 C ATOM 910 C HIS A 57 -0.333 39.726 4.917 1.00 0.00 C ATOM 911 O HIS A 57 -0.386 40.206 6.047 1.00 0.00 O ATOM 912 CB HIS A 57 -1.157 37.535 5.770 1.00 0.00 C ATOM 913 CG HIS A 57 -2.198 36.457 5.607 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.560 36.715 5.681 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.086 35.102 5.412 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.204 35.540 5.536 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.351 34.526 5.370 1.00 0.00 N ATOM 0 H HIS A 57 0.178 37.304 3.488 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.196 38.818 4.359 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.170 37.083 5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.342 38.091 6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.155 34.565 5.307 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.278 35.432 5.552 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.579 33.540 5.240 1.00 0.00 H new ATOM 926 N ARG A 58 0.450 40.240 3.966 1.00 0.00 N ATOM 927 CA ARG A 58 1.279 41.411 4.253 1.00 0.00 C ATOM 928 C ARG A 58 0.440 42.577 4.766 1.00 0.00 C ATOM 929 O ARG A 58 0.889 43.348 5.613 1.00 0.00 O ATOM 930 CB ARG A 58 2.042 41.852 3.014 1.00 0.00 C ATOM 931 CG ARG A 58 1.051 42.168 1.902 1.00 0.00 C ATOM 932 CD ARG A 58 1.821 42.438 0.618 1.00 0.00 C ATOM 933 NE ARG A 58 2.734 43.566 0.802 1.00 0.00 N ATOM 934 CZ ARG A 58 2.858 44.521 -0.120 1.00 0.00 C ATOM 935 NH1 ARG A 58 2.130 44.492 -1.202 1.00 0.00 N ATOM 936 NH2 ARG A 58 3.713 45.493 0.058 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.527 39.876 3.016 1.00 0.00 H new ATOM 0 HA ARG A 58 1.986 41.119 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.647 42.730 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.727 41.066 2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.364 41.334 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.448 43.036 2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.383 41.550 0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.125 42.653 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 58 3.289 43.623 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.461 43.736 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.230 45.226 -1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.285 45.521 0.902 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.808 46.224 -0.647 1.00 0.00 H new ATOM 950 N ASP A 59 -0.775 42.696 4.242 1.00 0.00 N ATOM 951 CA ASP A 59 -1.673 43.774 4.646 1.00 0.00 C ATOM 952 C ASP A 59 -1.814 43.760 6.157 1.00 0.00 C ATOM 953 O ASP A 59 -2.043 44.794 6.793 1.00 0.00 O ATOM 954 CB ASP A 59 -3.045 43.575 4.004 1.00 0.00 C ATOM 955 CG ASP A 59 -3.853 44.863 4.094 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.576 45.769 3.326 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.746 44.920 4.920 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.160 42.064 3.540 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.264 44.730 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.929 43.281 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.577 42.766 4.506 1.00 0.00 H new ATOM 962 N MET A 60 -1.656 42.575 6.726 1.00 0.00 N ATOM 963 CA MET A 60 -1.747 42.412 8.161 1.00 0.00 C ATOM 964 C MET A 60 -0.778 43.366 8.843 1.00 0.00 C ATOM 965 O MET A 60 -1.065 43.896 9.911 1.00 0.00 O ATOM 966 CB MET A 60 -1.384 40.971 8.527 1.00 0.00 C ATOM 967 CG MET A 60 0.146 40.825 8.566 1.00 0.00 C ATOM 968 SD MET A 60 0.600 39.075 8.425 1.00 0.00 S ATOM 969 CE MET A 60 -0.358 38.470 9.834 1.00 0.00 C ATOM 0 H MET A 60 -1.464 41.715 6.213 1.00 0.00 H new ATOM 0 HA MET A 60 -2.763 42.631 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.810 40.712 9.496 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.808 40.281 7.798 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.596 41.393 7.752 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.536 41.238 9.496 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.023 37.467 10.098 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.215 39.136 10.685 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.415 38.441 9.570 1.00 0.00 H new ATOM 979 N CYS A 61 0.364 43.586 8.197 1.00 0.00 N ATOM 980 CA CYS A 61 1.383 44.480 8.728 1.00 0.00 C ATOM 981 C CYS A 61 0.900 45.923 8.707 1.00 0.00 C ATOM 982 O CYS A 61 1.271 46.713 9.564 1.00 0.00 O ATOM 983 CB CYS A 61 2.665 44.357 7.904 1.00 0.00 C ATOM 984 SG CYS A 61 2.459 45.237 6.335 1.00 0.00 S ATOM 0 H CYS A 61 0.605 43.156 7.304 1.00 0.00 H new ATOM 0 HA CYS A 61 1.584 44.195 9.761 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.507 44.771 8.458 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.891 43.307 7.718 1.00 0.00 H new ATOM 0 HG CYS A 61 1.572 44.625 5.608 1.00 0.00 H new ATOM 990 N GLU A 62 0.066 46.257 7.731 1.00 0.00 N ATOM 991 CA GLU A 62 -0.464 47.611 7.620 1.00 0.00 C ATOM 992 C GLU A 62 -1.440 47.853 8.756 1.00 0.00 C ATOM 993 O GLU A 62 -1.623 48.981 9.214 1.00 0.00 O ATOM 994 CB GLU A 62 -1.183 47.790 6.280 1.00 0.00 C ATOM 995 CG GLU A 62 -0.193 47.602 5.130 1.00 0.00 C ATOM 996 CD GLU A 62 -0.922 47.739 3.799 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.141 47.694 3.808 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.254 47.880 2.788 1.00 0.00 O ATOM 0 H GLU A 62 -0.257 45.614 7.008 1.00 0.00 H new ATOM 0 HA GLU A 62 0.357 48.326 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.995 47.068 6.194 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.631 48.782 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.603 48.343 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.278 46.621 5.199 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.052 46.769 9.213 1.00 0.00 N ATOM 1006 CA LYS A 63 -2.999 46.845 10.312 1.00 0.00 C ATOM 1007 C LYS A 63 -2.239 46.810 11.639 1.00 0.00 C ATOM 1008 O LYS A 63 -1.962 47.847 12.242 1.00 0.00 O ATOM 1009 CB LYS A 63 -3.962 45.651 10.240 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.717 45.662 8.903 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.776 44.551 8.898 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.565 44.601 7.587 1.00 0.00 C ATOM 1013 NZ LYS A 63 -7.138 43.256 7.298 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.909 45.831 8.840 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.567 47.773 10.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.407 44.719 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.671 45.695 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.192 46.631 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.019 45.516 8.079 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.298 43.578 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.451 44.674 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.363 45.340 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.914 44.913 6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.674 43.291 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.368 42.562 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.772 42.975 8.073 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.897 45.603 12.069 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.153 45.430 13.315 1.00 0.00 C ATOM 1029 C TRP A 64 0.357 45.410 13.058 1.00 0.00 C ATOM 1030 O TRP A 64 1.040 44.473 13.465 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.588 44.155 14.053 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.641 42.997 13.116 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.823 42.811 12.061 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.536 41.848 13.147 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.161 41.632 11.437 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.213 41.001 12.066 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.588 41.466 13.999 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.908 39.817 11.831 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.291 40.271 13.767 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.950 39.449 12.684 1.00 0.00 C ATOM 0 H TRP A 64 -2.119 44.735 11.581 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.381 46.285 13.952 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.891 43.942 14.863 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.567 44.307 14.507 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.031 43.479 11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.690 41.269 10.609 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.857 42.094 14.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.642 39.188 10.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.097 39.985 14.426 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.493 38.532 12.510 1.00 0.00 H new ATOM 1051 N LYS A 65 0.861 46.435 12.366 1.00 0.00 N ATOM 1052 CA LYS A 65 2.293 46.529 12.037 1.00 0.00 C ATOM 1053 C LYS A 65 3.210 46.221 13.229 1.00 0.00 C ATOM 1054 O LYS A 65 4.417 46.443 13.147 1.00 0.00 O ATOM 1055 CB LYS A 65 2.623 47.938 11.540 1.00 0.00 C ATOM 1056 CG LYS A 65 2.618 48.906 12.718 1.00 0.00 C ATOM 1057 CD LYS A 65 2.854 50.319 12.198 1.00 0.00 C ATOM 1058 CE LYS A 65 3.319 51.206 13.349 1.00 0.00 C ATOM 1059 NZ LYS A 65 3.030 50.525 14.644 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.301 47.214 12.021 1.00 0.00 H new ATOM 0 HA LYS A 65 2.475 45.780 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.599 47.945 11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.893 48.252 10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.666 48.853 13.245 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.394 48.633 13.433 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.603 50.308 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.937 50.717 11.764 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.387 51.406 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.810 52.169 13.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.170 51.195 15.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.046 50.189 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.672 49.715 14.761 1.00 0.00 H new ATOM 1073 N SER A 66 2.656 45.725 14.329 1.00 0.00 N ATOM 1074 CA SER A 66 3.469 45.420 15.504 1.00 0.00 C ATOM 1075 C SER A 66 4.269 44.135 15.296 1.00 0.00 C ATOM 1076 O SER A 66 4.015 43.373 14.367 1.00 0.00 O ATOM 1077 CB SER A 66 2.569 45.279 16.727 1.00 0.00 C ATOM 1078 OG SER A 66 1.386 44.591 16.350 1.00 0.00 O ATOM 0 H SER A 66 1.661 45.527 14.434 1.00 0.00 H new ATOM 0 HA SER A 66 4.172 46.238 15.660 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.087 44.734 17.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.322 46.262 17.129 1.00 0.00 H new ATOM 0 HG SER A 66 0.652 44.853 16.944 1.00 0.00 H new ATOM 1084 N LYS A 67 5.260 43.919 16.153 1.00 0.00 N ATOM 1085 CA LYS A 67 6.114 42.742 16.032 1.00 0.00 C ATOM 1086 C LYS A 67 5.602 41.558 16.847 1.00 0.00 C ATOM 1087 O LYS A 67 5.202 40.539 16.289 1.00 0.00 O ATOM 1088 CB LYS A 67 7.533 43.084 16.484 1.00 0.00 C ATOM 1089 CG LYS A 67 8.399 41.828 16.413 1.00 0.00 C ATOM 1090 CD LYS A 67 9.828 42.162 16.848 1.00 0.00 C ATOM 1091 CE LYS A 67 10.711 40.923 16.700 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.492 40.018 17.865 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.491 44.536 16.932 1.00 0.00 H new ATOM 0 HA LYS A 67 6.105 42.449 14.982 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.951 43.865 15.849 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.519 43.474 17.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.985 41.052 17.056 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.401 41.433 15.397 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.223 42.977 16.241 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.834 42.504 17.883 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.475 40.403 15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.760 41.215 16.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.092 39.174 17.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.738 40.517 18.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.493 39.731 17.898 1.00 0.00 H new ATOM 1106 N GLU A 68 5.651 41.681 18.166 1.00 0.00 N ATOM 1107 CA GLU A 68 5.229 40.591 19.043 1.00 0.00 C ATOM 1108 C GLU A 68 3.746 40.248 18.879 1.00 0.00 C ATOM 1109 O GLU A 68 3.365 39.073 18.916 1.00 0.00 O ATOM 1110 CB GLU A 68 5.520 40.972 20.494 1.00 0.00 C ATOM 1111 CG GLU A 68 7.033 41.133 20.668 1.00 0.00 C ATOM 1112 CD GLU A 68 7.375 41.409 22.128 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.464 41.415 22.940 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.544 41.616 22.413 1.00 0.00 O1- ATOM 0 H GLU A 68 5.976 42.517 18.652 1.00 0.00 H new ATOM 0 HA GLU A 68 5.794 39.701 18.764 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.010 41.901 20.750 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.142 40.204 21.169 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.542 40.229 20.334 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.392 41.951 20.043 1.00 0.00 H new ATOM 1121 N ASP A 69 2.908 41.262 18.699 1.00 0.00 N ATOM 1122 CA ASP A 69 1.479 41.011 18.545 1.00 0.00 C ATOM 1123 C ASP A 69 1.227 40.158 17.313 1.00 0.00 C ATOM 1124 O ASP A 69 0.452 39.205 17.349 1.00 0.00 O ATOM 1125 CB ASP A 69 0.706 42.323 18.399 1.00 0.00 C ATOM 1126 CG ASP A 69 0.902 43.206 19.627 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.455 42.722 20.601 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.499 44.357 19.574 1.00 0.00 O ATOM 0 H ASP A 69 3.183 42.243 18.657 1.00 0.00 H new ATOM 0 HA ASP A 69 1.135 40.489 19.438 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.043 42.852 17.508 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.355 42.112 18.262 1.00 0.00 H new ATOM 1133 N ILE A 70 1.885 40.512 16.218 1.00 0.00 N ATOM 1134 CA ILE A 70 1.717 39.774 14.978 1.00 0.00 C ATOM 1135 C ILE A 70 2.144 38.318 15.134 1.00 0.00 C ATOM 1136 O ILE A 70 1.468 37.417 14.642 1.00 0.00 O ATOM 1137 CB ILE A 70 2.523 40.426 13.859 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.968 41.823 13.577 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.414 39.567 12.600 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.765 42.475 12.442 1.00 0.00 C ATOM 0 H ILE A 70 2.533 41.298 16.164 1.00 0.00 H new ATOM 0 HA ILE A 70 0.657 39.796 14.723 1.00 0.00 H new ATOM 0 HB ILE A 70 3.568 40.509 14.157 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.915 41.758 13.304 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.028 42.437 14.476 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.988 40.027 11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.808 38.571 12.804 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.368 39.490 12.302 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.367 43.470 12.243 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.813 42.554 12.732 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.683 41.865 11.542 1.00 0.00 H new ATOM 1152 N LEU A 71 3.263 38.085 15.815 1.00 0.00 N ATOM 1153 CA LEU A 71 3.736 36.720 16.001 1.00 0.00 C ATOM 1154 C LEU A 71 2.647 35.877 16.631 1.00 0.00 C ATOM 1155 O LEU A 71 2.451 34.718 16.262 1.00 0.00 O ATOM 1156 CB LEU A 71 4.969 36.690 16.905 1.00 0.00 C ATOM 1157 CG LEU A 71 6.127 37.460 16.262 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.426 37.150 17.009 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.277 37.048 14.796 1.00 0.00 C ATOM 0 H LEU A 71 3.847 38.807 16.238 1.00 0.00 H new ATOM 0 HA LEU A 71 4.000 36.319 15.023 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.727 37.128 17.874 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.268 35.658 17.087 1.00 0.00 H new ATOM 0 HG LEU A 71 5.917 38.528 16.317 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.249 37.698 16.551 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.326 37.450 18.052 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.629 36.080 16.957 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.102 37.600 14.346 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.481 35.979 14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.355 37.272 14.259 1.00 0.00 H new ATOM 1171 N HIS A 72 1.933 36.472 17.573 1.00 0.00 N ATOM 1172 CA HIS A 72 0.850 35.770 18.244 1.00 0.00 C ATOM 1173 C HIS A 72 -0.228 35.387 17.241 1.00 0.00 C ATOM 1174 O HIS A 72 -0.722 34.258 17.239 1.00 0.00 O ATOM 1175 CB HIS A 72 0.238 36.658 19.328 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.811 35.872 20.068 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -0.518 35.108 21.189 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -2.155 35.705 19.844 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.661 34.521 21.591 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.689 34.852 20.804 1.00 0.00 N ATOM 0 H HIS A 72 2.081 37.431 17.888 1.00 0.00 H new ATOM 0 HA HIS A 72 1.255 34.867 18.702 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.011 36.998 20.018 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.204 37.548 18.881 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.714 36.166 19.043 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.738 33.864 22.444 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.658 34.545 20.889 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.599 36.339 16.392 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.631 36.098 15.391 1.00 0.00 C ATOM 1191 C LYS A 73 -1.226 34.958 14.464 1.00 0.00 C ATOM 1192 O LYS A 73 -1.989 34.013 14.266 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.870 37.377 14.585 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.177 38.530 15.547 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.412 38.187 16.384 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.922 39.438 17.099 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.441 39.415 18.508 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.203 37.279 16.377 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.553 35.813 15.897 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.991 37.613 13.985 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.700 37.235 13.892 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.322 38.710 16.199 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.349 39.449 14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.194 37.780 15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.164 37.416 17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.564 40.334 16.593 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.011 39.470 17.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.782 40.262 19.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.803 38.565 18.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.401 39.402 18.520 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.036 35.057 13.881 1.00 0.00 N ATOM 1212 CA LEU A 74 0.416 34.014 12.968 1.00 0.00 C ATOM 1213 C LEU A 74 0.353 32.654 13.652 1.00 0.00 C ATOM 1214 O LEU A 74 -0.053 31.668 13.041 1.00 0.00 O ATOM 1215 CB LEU A 74 1.852 34.271 12.494 1.00 0.00 C ATOM 1216 CG LEU A 74 1.862 35.328 11.388 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.818 36.723 12.004 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.145 35.193 10.565 1.00 0.00 C ATOM 0 H LEU A 74 0.618 35.827 14.019 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.245 34.025 12.102 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.465 34.605 13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.292 33.344 12.126 1.00 0.00 H new ATOM 0 HG LEU A 74 0.991 35.181 10.749 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.825 37.471 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.909 36.831 12.596 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.688 36.865 12.645 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.153 35.946 9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.010 35.337 11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.188 34.200 10.118 1.00 0.00 H new ATOM 1230 N ASN A 75 0.746 32.602 14.920 1.00 0.00 N ATOM 1231 CA ASN A 75 0.718 31.343 15.655 1.00 0.00 C ATOM 1232 C ASN A 75 -0.676 30.721 15.617 1.00 0.00 C ATOM 1233 O ASN A 75 -0.819 29.519 15.392 1.00 0.00 O ATOM 1234 CB ASN A 75 1.126 31.569 17.117 1.00 0.00 C ATOM 1235 CG ASN A 75 2.603 31.942 17.201 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.366 31.671 16.276 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.055 32.552 18.266 1.00 0.00 N ATOM 0 H ASN A 75 1.083 33.403 15.454 1.00 0.00 H new ATOM 0 HA ASN A 75 1.425 30.664 15.178 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.518 32.362 17.553 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.938 30.666 17.698 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.041 32.803 18.330 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.421 32.776 19.033 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.700 31.543 15.836 1.00 0.00 N ATOM 1245 CA GLU A 76 -3.072 31.046 15.832 1.00 0.00 C ATOM 1246 C GLU A 76 -3.480 30.546 14.449 1.00 0.00 C ATOM 1247 O GLU A 76 -4.103 29.490 14.317 1.00 0.00 O ATOM 1248 CB GLU A 76 -4.032 32.148 16.287 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.453 31.588 16.362 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.433 32.703 16.706 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -6.325 33.762 16.111 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.273 32.485 17.563 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.608 32.543 16.016 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.124 30.207 16.526 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.728 32.530 17.262 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.996 32.986 15.591 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.725 31.134 15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.504 30.802 17.115 1.00 0.00 H new ATOM 1259 N GLN A 77 -3.106 31.283 13.415 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.434 30.857 12.064 1.00 0.00 C ATOM 1261 C GLN A 77 -2.551 29.677 11.680 1.00 0.00 C ATOM 1262 O GLN A 77 -2.964 28.794 10.931 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.260 32.000 11.063 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.128 31.712 9.834 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.185 32.929 8.916 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.716 34.006 9.278 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.746 32.819 7.741 1.00 0.00 N ATOM 0 H GLN A 77 -2.587 32.159 13.481 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.481 30.554 12.038 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.550 32.948 11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.213 32.093 10.773 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.724 30.858 9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.135 31.441 10.150 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.134 31.924 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.795 33.628 7.122 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.331 29.659 12.214 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.410 28.569 11.932 1.00 0.00 C ATOM 1278 C TRP A 78 -1.056 27.249 12.325 1.00 0.00 C ATOM 1279 O TRP A 78 -0.965 26.258 11.599 1.00 0.00 O ATOM 1280 CB TRP A 78 0.894 28.761 12.707 1.00 0.00 C ATOM 1281 CG TRP A 78 2.018 28.159 11.934 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.233 26.835 11.774 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.086 28.840 11.215 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.363 26.658 10.995 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.924 27.864 10.626 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.404 30.195 11.016 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.038 28.220 9.867 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.526 30.558 10.253 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.341 29.571 9.679 1.00 0.00 C ATOM 0 H TRP A 78 -0.964 30.379 12.836 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.182 28.561 10.866 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.079 29.822 12.874 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.820 28.292 13.688 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.623 26.045 12.186 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.736 25.747 10.726 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.781 30.962 11.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.663 27.457 9.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.762 31.602 10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.202 29.855 9.092 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.735 27.250 13.470 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.418 26.052 13.925 1.00 0.00 C ATOM 1302 C ASN A 79 -3.548 25.754 12.956 1.00 0.00 C ATOM 1303 O ASN A 79 -3.770 24.607 12.569 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.976 26.251 15.336 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.840 26.557 16.308 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.673 26.327 15.991 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -2.112 27.066 17.479 1.00 0.00 N ATOM 0 H ASN A 79 -1.824 28.056 14.088 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.716 25.218 13.958 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.698 27.068 15.339 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.508 25.355 15.656 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.357 27.274 18.133 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.079 27.256 17.740 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.241 26.810 12.541 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.326 26.665 11.583 1.00 0.00 C ATOM 1316 C LYS A 80 -4.764 26.099 10.289 1.00 0.00 C ATOM 1317 O LYS A 80 -5.368 25.238 9.651 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.975 28.025 11.316 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.213 27.841 10.443 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.833 29.208 10.140 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.225 29.010 9.540 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.104 28.353 10.547 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.071 27.767 12.851 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.083 25.991 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.250 28.499 12.258 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.264 28.687 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.944 27.338 9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.938 27.206 10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.899 29.801 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.201 29.761 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.646 29.971 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.162 28.398 8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.093 28.627 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.012 27.320 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.822 28.652 11.502 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.588 26.599 9.927 1.00 0.00 N ATOM 1337 CA ASP A 81 -2.891 26.170 8.721 1.00 0.00 C ATOM 1338 C ASP A 81 -2.805 24.647 8.648 1.00 0.00 C ATOM 1339 O ASP A 81 -1.698 24.141 8.563 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.479 26.759 8.733 1.00 0.00 C ATOM 1341 CG ASP A 81 -0.994 26.997 7.308 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.506 27.902 6.673 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -0.111 26.274 6.877 1.00 0.00 O ATOM 1344 OXT ASP A 81 -3.844 24.010 8.675 1.00 0.00 O ATOM 0 H ASP A 81 -3.092 27.312 10.461 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.445 26.521 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.474 27.697 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.799 26.080 9.248 1.00 0.00 H new