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 77 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.19) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -4.8! C(o=-13!,f=-17!) USER MOD Set 2.2: A 75 ASN :FLIP amide:sc= -8.55! C(o=-17!,f=-13!) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -139:sc= 0.706 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -7.38! C(o=-6.7!,f=-11!) USER MOD Single : A 8 LYS NZ :NH3+ -156:sc= -0.0413 (180deg=-0.563) USER MOD Single : A 10 THR OG1 : rot 130:sc= -1.2 USER MOD Single : A 15 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.6!) USER MOD Single : A 16 GLN : amide:sc= -5.38! C(o=-5.4!,f=-11!) USER MOD Single : A 19 GLN :FLIP amide:sc= -8.26! C(o=-10!,f=-8.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00591 K(o=-0.0059,f=-1.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.93! C(o=-4.9!,f=-12!) USER MOD Single : A 46 GLN : amide:sc= -0.831 X(o=-0.83,f=-0.41) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.14) USER MOD Single : A 60 MET CE :methyl 167:sc= -0.657 (180deg=-1.13) USER MOD Single : A 61 CYS SG : rot -87:sc= -1.07! 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 96:sc= -1.68! USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= -4.08! (180deg=-4.36!) USER MOD Single : A 72 HIS : no HE2:sc= 1.27 K(o=1.3,f=-5.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.393 K(o=-0.39,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.748 50.825 2.267 1.00 0.00 N ATOM 93 CA LYS A 8 3.995 49.399 2.471 1.00 0.00 C ATOM 94 C LYS A 8 5.465 49.110 2.762 1.00 0.00 C ATOM 95 O LYS A 8 6.329 49.967 2.574 1.00 0.00 O ATOM 96 CB LYS A 8 3.575 48.651 1.210 1.00 0.00 C ATOM 97 CG LYS A 8 2.067 48.801 1.028 1.00 0.00 C ATOM 98 CD LYS A 8 1.649 48.217 -0.318 1.00 0.00 C ATOM 99 CE LYS A 8 0.127 48.114 -0.361 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.309 47.029 0.561 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.417 49.070 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.101 49.049 0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.843 47.597 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.541 48.291 1.835 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.788 49.853 1.081 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.007 48.849 -1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.097 47.233 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.323 49.062 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.208 47.903 -1.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.239 46.672 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.384 46.254 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.377 47.403 1.529 1.00 0.00 H new ATOM 114 N PHE A 9 5.736 47.884 3.213 1.00 0.00 N ATOM 115 CA PHE A 9 7.103 47.475 3.517 1.00 0.00 C ATOM 116 C PHE A 9 7.851 47.149 2.230 1.00 0.00 C ATOM 117 O PHE A 9 7.280 46.601 1.289 1.00 0.00 O ATOM 118 CB PHE A 9 7.106 46.246 4.429 1.00 0.00 C ATOM 119 CG PHE A 9 6.657 46.637 5.816 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.573 47.207 6.708 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.330 46.429 6.210 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.162 47.571 7.996 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.918 46.791 7.498 1.00 0.00 C ATOM 124 CZ PHE A 9 5.835 47.362 8.391 1.00 0.00 C ATOM 0 H PHE A 9 5.032 47.164 3.374 1.00 0.00 H new ATOM 0 HA PHE A 9 7.600 48.299 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.444 45.480 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.106 45.814 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.597 47.366 6.403 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.624 45.989 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.868 48.012 8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.895 46.630 7.803 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.518 47.641 9.385 1.00 0.00 H new ATOM 134 N THR A 10 9.130 47.502 2.196 1.00 0.00 N ATOM 135 CA THR A 10 9.951 47.254 1.016 1.00 0.00 C ATOM 136 C THR A 10 10.503 45.834 1.029 1.00 0.00 C ATOM 137 O THR A 10 10.539 45.188 2.069 1.00 0.00 O ATOM 138 CB THR A 10 11.105 48.256 0.980 1.00 0.00 C ATOM 139 OG1 THR A 10 11.871 48.129 2.170 1.00 0.00 O ATOM 140 CG2 THR A 10 10.537 49.674 0.879 1.00 0.00 C ATOM 0 H THR A 10 9.619 47.958 2.966 1.00 0.00 H new ATOM 0 HA THR A 10 9.331 47.373 0.128 1.00 0.00 H new ATOM 0 HB THR A 10 11.742 48.059 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.820 48.045 1.941 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.356 50.393 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.945 49.765 -0.032 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.905 49.875 1.744 1.00 0.00 H new ATOM 148 N ASP A 11 10.918 45.348 -0.140 1.00 0.00 N ATOM 149 CA ASP A 11 11.451 43.994 -0.243 1.00 0.00 C ATOM 150 C ASP A 11 12.542 43.754 0.796 1.00 0.00 C ATOM 151 O ASP A 11 12.573 42.702 1.434 1.00 0.00 O ATOM 152 CB ASP A 11 12.030 43.766 -1.645 1.00 0.00 C ATOM 153 CG ASP A 11 10.905 43.607 -2.662 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.772 43.435 -2.242 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.193 43.655 -3.846 1.00 0.00 O ATOM 0 H ASP A 11 10.896 45.866 -1.018 1.00 0.00 H new ATOM 0 HA ASP A 11 10.634 43.295 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.666 44.606 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.659 42.876 -1.646 1.00 0.00 H new ATOM 160 N ASP A 12 13.436 44.723 0.971 1.00 0.00 N ATOM 161 CA ASP A 12 14.511 44.572 1.947 1.00 0.00 C ATOM 162 C ASP A 12 13.951 44.575 3.364 1.00 0.00 C ATOM 163 O ASP A 12 14.313 43.738 4.191 1.00 0.00 O ATOM 164 CB ASP A 12 15.529 45.698 1.790 1.00 0.00 C ATOM 165 CG ASP A 12 16.224 45.576 0.439 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.003 44.581 -0.232 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.974 46.477 0.096 1.00 0.00 O1- ATOM 0 H ASP A 12 13.439 45.606 0.460 1.00 0.00 H new ATOM 0 HA ASP A 12 15.006 43.617 1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.032 46.665 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.264 45.652 2.594 1.00 0.00 H new ATOM 172 N GLU A 13 13.047 45.509 3.627 1.00 0.00 N ATOM 173 CA GLU A 13 12.419 45.598 4.937 1.00 0.00 C ATOM 174 C GLU A 13 11.562 44.363 5.168 1.00 0.00 C ATOM 175 O GLU A 13 11.494 43.826 6.273 1.00 0.00 O ATOM 176 CB GLU A 13 11.547 46.847 5.000 1.00 0.00 C ATOM 177 CG GLU A 13 12.434 48.093 4.986 1.00 0.00 C ATOM 178 CD GLU A 13 13.334 48.105 6.217 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.024 47.397 7.162 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.321 48.822 6.198 1.00 0.00 O1- ATOM 0 H GLU A 13 12.734 46.211 2.956 1.00 0.00 H new ATOM 0 HA GLU A 13 13.187 45.657 5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.861 46.867 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.938 46.832 5.904 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.041 48.107 4.081 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.815 48.990 4.969 1.00 0.00 H new ATOM 187 N TRP A 14 10.909 43.922 4.103 1.00 0.00 N ATOM 188 CA TRP A 14 10.061 42.755 4.168 1.00 0.00 C ATOM 189 C TRP A 14 10.903 41.540 4.502 1.00 0.00 C ATOM 190 O TRP A 14 10.566 40.765 5.388 1.00 0.00 O ATOM 191 CB TRP A 14 9.356 42.570 2.826 1.00 0.00 C ATOM 192 CG TRP A 14 8.080 41.817 3.014 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.722 40.729 2.301 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.986 42.076 3.945 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.484 40.291 2.740 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.990 41.089 3.748 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.757 43.057 4.931 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.817 41.072 4.499 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.577 43.042 5.689 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.610 42.051 5.476 1.00 0.00 C ATOM 0 H TRP A 14 10.955 44.361 3.183 1.00 0.00 H new ATOM 0 HA TRP A 14 9.308 42.882 4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.151 43.542 2.378 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.006 42.032 2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.306 40.274 1.515 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.998 39.477 2.363 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.496 43.826 5.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.073 40.308 4.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.413 43.799 6.442 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.705 42.043 6.066 1.00 0.00 H new ATOM 211 N ASN A 15 12.011 41.384 3.793 1.00 0.00 N ATOM 212 CA ASN A 15 12.901 40.259 4.034 1.00 0.00 C ATOM 213 C ASN A 15 13.343 40.221 5.492 1.00 0.00 C ATOM 214 O ASN A 15 13.370 39.160 6.112 1.00 0.00 O ATOM 215 CB ASN A 15 14.122 40.378 3.127 1.00 0.00 C ATOM 216 CG ASN A 15 13.710 40.170 1.673 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.775 39.420 1.393 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.352 40.798 0.725 1.00 0.00 N ATOM 0 H ASN A 15 12.313 42.017 3.052 1.00 0.00 H new ATOM 0 HA ASN A 15 12.366 39.335 3.814 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.581 41.359 3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.871 39.639 3.411 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.079 40.667 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.127 41.419 0.959 1.00 0.00 H new ATOM 225 N GLN A 16 13.655 41.387 6.047 1.00 0.00 N ATOM 226 CA GLN A 16 14.067 41.451 7.446 1.00 0.00 C ATOM 227 C GLN A 16 12.933 40.935 8.316 1.00 0.00 C ATOM 228 O GLN A 16 13.151 40.183 9.267 1.00 0.00 O ATOM 229 CB GLN A 16 14.406 42.890 7.841 1.00 0.00 C ATOM 230 CG GLN A 16 15.885 43.170 7.566 1.00 0.00 C ATOM 231 CD GLN A 16 16.122 43.329 6.070 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.838 42.419 5.293 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.629 44.444 5.616 1.00 0.00 N ATOM 0 H GLN A 16 13.632 42.284 5.562 1.00 0.00 H new ATOM 0 HA GLN A 16 14.957 40.837 7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.784 43.587 7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.187 43.048 8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.194 44.075 8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.495 42.354 7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.864 45.198 6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.790 44.561 4.616 1.00 0.00 H new ATOM 242 N LEU A 17 11.720 41.347 7.973 1.00 0.00 N ATOM 243 CA LEU A 17 10.542 40.926 8.714 1.00 0.00 C ATOM 244 C LEU A 17 10.423 39.407 8.699 1.00 0.00 C ATOM 245 O LEU A 17 10.077 38.789 9.706 1.00 0.00 O ATOM 246 CB LEU A 17 9.290 41.541 8.080 1.00 0.00 C ATOM 247 CG LEU A 17 8.042 41.063 8.824 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.001 41.688 10.218 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.796 41.483 8.043 1.00 0.00 C ATOM 0 H LEU A 17 11.528 41.970 7.189 1.00 0.00 H new ATOM 0 HA LEU A 17 10.636 41.264 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.351 42.629 8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.228 41.259 7.029 1.00 0.00 H new ATOM 0 HG LEU A 17 8.070 39.977 8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.110 41.345 10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.889 41.392 10.776 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.974 42.774 10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.904 41.144 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.773 42.569 7.952 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.822 41.036 7.049 1.00 0.00 H new ATOM 261 N LYS A 18 10.713 38.812 7.549 1.00 0.00 N ATOM 262 CA LYS A 18 10.637 37.364 7.402 1.00 0.00 C ATOM 263 C LYS A 18 11.590 36.676 8.368 1.00 0.00 C ATOM 264 O LYS A 18 11.230 35.691 9.012 1.00 0.00 O ATOM 265 CB LYS A 18 11.002 36.977 5.971 1.00 0.00 C ATOM 266 CG LYS A 18 10.021 37.641 5.007 1.00 0.00 C ATOM 267 CD LYS A 18 10.369 37.259 3.569 1.00 0.00 C ATOM 268 CE LYS A 18 9.568 38.133 2.601 1.00 0.00 C ATOM 269 NZ LYS A 18 8.669 37.282 1.771 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.002 39.308 6.706 1.00 0.00 H new ATOM 0 HA LYS A 18 9.619 37.045 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.021 37.291 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.969 35.894 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.002 37.330 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.058 38.724 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.437 37.390 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.144 36.206 3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.980 38.862 3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.246 38.694 1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.675 37.625 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.003 36.297 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.701 37.329 2.148 1.00 0.00 H new ATOM 283 N GLN A 19 12.814 37.188 8.450 1.00 0.00 N ATOM 284 CA GLN A 19 13.816 36.597 9.328 1.00 0.00 C ATOM 285 C GLN A 19 13.336 36.590 10.774 1.00 0.00 C ATOM 286 O GLN A 19 13.490 35.594 11.480 1.00 0.00 O ATOM 287 CB GLN A 19 15.126 37.383 9.214 1.00 0.00 C ATOM 288 CG GLN A 19 15.893 36.941 7.962 1.00 0.00 C ATOM 289 CD GLN A 19 14.981 36.947 6.741 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.125 35.977 6.567 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 15.058 37.856 5.915 1.00 0.00 N flip ATOM 0 H GLN A 19 13.133 38.002 7.925 1.00 0.00 H new ATOM 0 HA GLN A 19 13.983 35.565 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.916 38.451 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.737 37.219 10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.739 37.608 7.794 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.300 35.941 8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.727 38.614 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.453 37.852 5.094 1.00 0.00 H new ATOM 300 N ASP A 20 12.750 37.696 11.219 1.00 0.00 N ATOM 301 CA ASP A 20 12.257 37.780 12.588 1.00 0.00 C ATOM 302 C ASP A 20 11.147 36.762 12.824 1.00 0.00 C ATOM 303 O ASP A 20 11.115 36.092 13.854 1.00 0.00 O ATOM 304 CB ASP A 20 11.721 39.183 12.851 1.00 0.00 C ATOM 305 CG ASP A 20 12.861 40.194 12.786 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.994 39.789 12.983 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.582 41.356 12.543 1.00 0.00 O ATOM 0 H ASP A 20 12.606 38.537 10.660 1.00 0.00 H new ATOM 0 HA ASP A 20 13.081 37.564 13.268 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.958 39.434 12.114 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.244 39.222 13.830 1.00 0.00 H new ATOM 312 N PHE A 21 10.247 36.645 11.854 1.00 0.00 N ATOM 313 CA PHE A 21 9.150 35.695 11.961 1.00 0.00 C ATOM 314 C PHE A 21 9.708 34.285 12.036 1.00 0.00 C ATOM 315 O PHE A 21 9.364 33.502 12.922 1.00 0.00 O ATOM 316 CB PHE A 21 8.242 35.810 10.738 1.00 0.00 C ATOM 317 CG PHE A 21 7.292 36.976 10.890 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.626 38.071 11.698 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.068 36.957 10.211 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.735 39.146 11.824 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.178 38.029 10.336 1.00 0.00 C ATOM 322 CZ PHE A 21 5.511 39.123 11.143 1.00 0.00 C ATOM 0 H PHE A 21 10.256 37.191 10.993 1.00 0.00 H new ATOM 0 HA PHE A 21 8.575 35.914 12.861 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.846 35.941 9.840 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.676 34.887 10.610 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.569 38.087 12.223 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.810 36.113 9.589 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.992 39.991 12.445 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.235 38.012 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.824 39.950 11.241 1.00 0.00 H new ATOM 332 N ILE A 22 10.591 33.980 11.100 1.00 0.00 N ATOM 333 CA ILE A 22 11.225 32.680 11.055 1.00 0.00 C ATOM 334 C ILE A 22 11.968 32.427 12.363 1.00 0.00 C ATOM 335 O ILE A 22 11.849 31.361 12.964 1.00 0.00 O ATOM 336 CB ILE A 22 12.185 32.639 9.867 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.369 32.788 8.578 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.940 31.311 9.847 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.296 33.113 7.407 1.00 0.00 C ATOM 0 H ILE A 22 10.883 34.619 10.361 1.00 0.00 H new ATOM 0 HA ILE A 22 10.475 31.899 10.932 1.00 0.00 H new ATOM 0 HB ILE A 22 12.909 33.449 9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.823 31.867 8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.628 33.579 8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.621 31.293 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.509 31.202 10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.229 30.489 9.760 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.708 33.217 6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.822 34.046 7.608 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.020 32.308 7.282 1.00 0.00 H new ATOM 351 N SER A 23 12.741 33.417 12.796 1.00 0.00 N ATOM 352 CA SER A 23 13.505 33.287 14.033 1.00 0.00 C ATOM 353 C SER A 23 12.592 32.958 15.215 1.00 0.00 C ATOM 354 O SER A 23 12.910 32.093 16.026 1.00 0.00 O ATOM 355 CB SER A 23 14.270 34.578 14.326 1.00 0.00 C ATOM 356 OG SER A 23 15.127 34.371 15.442 1.00 0.00 O ATOM 0 H SER A 23 12.855 34.309 12.315 1.00 0.00 H new ATOM 0 HA SER A 23 14.212 32.468 13.900 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.853 34.875 13.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.572 35.389 14.534 1.00 0.00 H new ATOM 0 HG SER A 23 15.621 35.196 15.633 1.00 0.00 H new ATOM 362 N GLY A 24 11.459 33.651 15.314 1.00 0.00 N ATOM 363 CA GLY A 24 10.526 33.417 16.413 1.00 0.00 C ATOM 364 C GLY A 24 9.885 32.037 16.332 1.00 0.00 C ATOM 365 O GLY A 24 9.585 31.425 17.357 1.00 0.00 O ATOM 0 H GLY A 24 11.167 34.372 14.654 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.052 33.518 17.363 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.748 34.180 16.397 1.00 0.00 H new ATOM 369 N ILE A 25 9.688 31.537 15.120 1.00 0.00 N ATOM 370 CA ILE A 25 9.097 30.222 14.958 1.00 0.00 C ATOM 371 C ILE A 25 10.112 29.164 15.329 1.00 0.00 C ATOM 372 O ILE A 25 9.754 28.073 15.766 1.00 0.00 O ATOM 373 CB ILE A 25 8.636 30.023 13.522 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.476 30.972 13.238 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.178 28.576 13.330 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.017 30.782 11.799 1.00 0.00 C ATOM 0 H ILE A 25 9.925 32.014 14.250 1.00 0.00 H new ATOM 0 HA ILE A 25 8.231 30.137 15.614 1.00 0.00 H new ATOM 0 HB ILE A 25 9.457 30.232 12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.652 30.775 13.924 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.786 32.004 13.400 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.847 28.432 12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.007 27.901 13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.353 28.362 14.009 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.188 31.458 11.589 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.843 31.000 11.122 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.691 29.752 11.654 1.00 0.00 H new ATOM 388 N LEU A 26 11.381 29.511 15.174 1.00 0.00 N ATOM 389 CA LEU A 26 12.455 28.601 15.524 1.00 0.00 C ATOM 390 C LEU A 26 12.846 28.823 16.981 1.00 0.00 C ATOM 391 O LEU A 26 13.349 27.921 17.648 1.00 0.00 O ATOM 392 CB LEU A 26 13.661 28.833 14.598 1.00 0.00 C ATOM 393 CG LEU A 26 14.773 29.577 15.347 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.448 28.629 16.345 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.815 30.085 14.346 1.00 0.00 C ATOM 0 H LEU A 26 11.689 30.413 14.810 1.00 0.00 H new ATOM 0 HA LEU A 26 12.120 27.571 15.399 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.036 27.877 14.232 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.353 29.409 13.726 1.00 0.00 H new ATOM 0 HG LEU A 26 14.341 30.421 15.884 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.238 29.161 16.875 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.709 28.268 17.061 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.878 27.782 15.809 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.605 30.614 14.880 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.244 29.240 13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.339 30.763 13.638 1.00 0.00 H new ATOM 407 N GLU A 27 12.623 30.042 17.461 1.00 0.00 N ATOM 408 CA GLU A 27 12.966 30.389 18.833 1.00 0.00 C ATOM 409 C GLU A 27 11.978 29.786 19.835 1.00 0.00 C ATOM 410 O GLU A 27 12.385 29.220 20.849 1.00 0.00 O ATOM 411 CB GLU A 27 13.001 31.912 18.985 1.00 0.00 C ATOM 412 CG GLU A 27 13.542 32.276 20.367 1.00 0.00 C ATOM 413 CD GLU A 27 14.938 31.690 20.549 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.598 31.463 19.548 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 15.325 31.477 21.685 1.00 0.00 O ATOM 0 H GLU A 27 12.208 30.802 16.922 1.00 0.00 H new ATOM 0 HA GLU A 27 13.950 29.973 19.049 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.630 32.351 18.210 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.000 32.324 18.855 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.575 33.360 20.480 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.875 31.895 21.140 1.00 0.00 H new ATOM 422 N ASN A 28 10.680 29.912 19.557 1.00 0.00 N ATOM 423 CA ASN A 28 9.657 29.375 20.460 1.00 0.00 C ATOM 424 C ASN A 28 9.436 27.877 20.221 1.00 0.00 C ATOM 425 O ASN A 28 9.812 27.340 19.180 1.00 0.00 O ATOM 426 CB ASN A 28 8.335 30.126 20.262 1.00 0.00 C ATOM 427 CG ASN A 28 8.492 31.586 20.677 1.00 0.00 C ATOM 428 OD1 ASN A 28 9.429 31.932 21.396 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.623 32.468 20.265 1.00 0.00 N ATOM 0 H ASN A 28 10.313 30.375 18.725 1.00 0.00 H new ATOM 0 HA ASN A 28 10.008 29.513 21.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.028 30.068 19.218 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.549 29.655 20.852 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.720 33.446 20.539 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.847 32.180 19.669 1.00 0.00 H new ATOM 436 N GLU A 29 8.815 27.211 21.199 1.00 0.00 N ATOM 437 CA GLU A 29 8.532 25.776 21.096 1.00 0.00 C ATOM 438 C GLU A 29 7.674 25.503 19.864 1.00 0.00 C ATOM 439 O GLU A 29 7.555 24.369 19.403 1.00 0.00 O ATOM 440 CB GLU A 29 7.769 25.306 22.335 1.00 0.00 C ATOM 441 CG GLU A 29 7.767 23.775 22.390 1.00 0.00 C ATOM 442 CD GLU A 29 6.808 23.284 23.472 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.318 24.109 24.226 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 6.580 22.087 23.532 1.00 0.00 O ATOM 0 H GLU A 29 8.499 27.641 22.069 1.00 0.00 H new ATOM 0 HA GLU A 29 9.478 25.240 21.016 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.232 25.711 23.235 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.746 25.680 22.307 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.472 23.370 21.422 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.774 23.410 22.594 1.00 0.00 H new ATOM 451 N GLN A 30 7.055 26.560 19.363 1.00 0.00 N ATOM 452 CA GLN A 30 6.174 26.461 18.203 1.00 0.00 C ATOM 453 C GLN A 30 6.892 25.874 16.990 1.00 0.00 C ATOM 454 O GLN A 30 6.248 25.431 16.039 1.00 0.00 O ATOM 455 CB GLN A 30 5.659 27.851 17.835 1.00 0.00 C ATOM 456 CG GLN A 30 4.861 28.426 19.002 1.00 0.00 C ATOM 457 CD GLN A 30 4.365 29.821 18.651 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.878 30.449 17.725 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.388 30.343 19.336 1.00 0.00 N ATOM 0 H GLN A 30 7.145 27.503 19.742 1.00 0.00 H new ATOM 0 HA GLN A 30 5.352 25.798 18.472 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.495 28.508 17.594 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.032 27.794 16.945 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.016 27.777 19.231 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.484 28.466 19.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.966 29.819 20.103 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.045 31.276 19.106 1.00 0.00 H new ATOM 468 N LYS A 31 8.215 25.902 17.011 1.00 0.00 N ATOM 469 CA LYS A 31 8.994 25.397 15.887 1.00 0.00 C ATOM 470 C LYS A 31 8.586 23.973 15.508 1.00 0.00 C ATOM 471 O LYS A 31 8.721 23.579 14.350 1.00 0.00 O ATOM 472 CB LYS A 31 10.483 25.427 16.226 1.00 0.00 C ATOM 473 CG LYS A 31 10.807 24.316 17.218 1.00 0.00 C ATOM 474 CD LYS A 31 12.274 24.432 17.625 1.00 0.00 C ATOM 475 CE LYS A 31 12.689 23.185 18.403 1.00 0.00 C ATOM 476 NZ LYS A 31 13.251 23.597 19.718 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.770 26.265 17.786 1.00 0.00 H new ATOM 0 HA LYS A 31 8.795 26.045 15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.075 25.302 15.319 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.750 26.395 16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.165 24.394 18.095 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.616 23.341 16.769 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.900 24.546 16.740 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.423 25.321 18.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.830 22.530 18.550 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.429 22.618 17.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.536 22.752 20.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.080 24.206 19.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.530 24.121 20.255 1.00 0.00 H new ATOM 490 N ASP A 32 8.101 23.204 16.475 1.00 0.00 N ATOM 491 CA ASP A 32 7.693 21.822 16.206 1.00 0.00 C ATOM 492 C ASP A 32 6.695 21.746 15.050 1.00 0.00 C ATOM 493 O ASP A 32 6.674 20.767 14.295 1.00 0.00 O ATOM 494 CB ASP A 32 7.071 21.203 17.458 1.00 0.00 C ATOM 495 CG ASP A 32 8.168 20.702 18.389 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.252 20.430 17.902 1.00 0.00 O ATOM 497 OD2 ASP A 32 7.909 20.598 19.578 1.00 0.00 O1- ATOM 0 H ASP A 32 7.980 23.504 17.442 1.00 0.00 H new ATOM 0 HA ASP A 32 8.586 21.264 15.924 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.455 21.941 17.972 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.414 20.379 17.179 1.00 0.00 H new ATOM 502 N LEU A 33 5.858 22.766 14.917 1.00 0.00 N ATOM 503 CA LEU A 33 4.862 22.779 13.850 1.00 0.00 C ATOM 504 C LEU A 33 5.526 22.594 12.482 1.00 0.00 C ATOM 505 O LEU A 33 4.987 21.914 11.610 1.00 0.00 O ATOM 506 CB LEU A 33 4.096 24.103 13.864 1.00 0.00 C ATOM 507 CG LEU A 33 3.381 24.284 15.206 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.798 25.694 15.276 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.246 23.263 15.326 1.00 0.00 C ATOM 0 H LEU A 33 5.846 23.585 15.524 1.00 0.00 H new ATOM 0 HA LEU A 33 4.172 21.953 14.022 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.784 24.932 13.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.370 24.121 13.051 1.00 0.00 H new ATOM 0 HG LEU A 33 4.091 24.134 16.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.287 25.830 16.229 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.602 26.425 15.188 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.088 25.835 14.461 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.739 23.394 16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.534 23.413 14.514 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.656 22.255 15.268 1.00 0.00 H new ATOM 521 N VAL A 34 6.692 23.211 12.297 1.00 0.00 N ATOM 522 CA VAL A 34 7.405 23.110 11.024 1.00 0.00 C ATOM 523 C VAL A 34 7.698 21.656 10.681 1.00 0.00 C ATOM 524 O VAL A 34 7.582 21.245 9.526 1.00 0.00 O ATOM 525 CB VAL A 34 8.725 23.887 11.095 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.806 23.014 11.735 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.170 24.267 9.683 1.00 0.00 C ATOM 0 H VAL A 34 7.159 23.780 13.003 1.00 0.00 H new ATOM 0 HA VAL A 34 6.770 23.536 10.248 1.00 0.00 H new ATOM 0 HB VAL A 34 8.577 24.786 11.693 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.742 23.571 11.783 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.498 22.734 12.742 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.949 22.115 11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.108 24.819 9.734 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.312 23.363 9.091 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.407 24.890 9.216 1.00 0.00 H new ATOM 537 N ALA A 35 8.076 20.884 11.692 1.00 0.00 N ATOM 538 CA ALA A 35 8.385 19.476 11.490 1.00 0.00 C ATOM 539 C ALA A 35 7.143 18.722 11.048 1.00 0.00 C ATOM 540 O ALA A 35 7.210 17.834 10.197 1.00 0.00 O ATOM 541 CB ALA A 35 8.914 18.868 12.791 1.00 0.00 C ATOM 0 H ALA A 35 8.175 21.207 12.654 1.00 0.00 H new ATOM 0 HA ALA A 35 9.146 19.394 10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.143 17.814 12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.818 19.394 13.097 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.158 18.962 13.570 1.00 0.00 H new ATOM 689 N ASN A 45 11.121 26.467 8.508 1.00 0.00 N ATOM 690 CA ASN A 45 9.962 27.337 8.699 1.00 0.00 C ATOM 691 C ASN A 45 9.164 27.444 7.408 1.00 0.00 C ATOM 692 O ASN A 45 8.327 28.332 7.258 1.00 0.00 O ATOM 693 CB ASN A 45 10.405 28.732 9.126 1.00 0.00 C ATOM 694 CG ASN A 45 11.053 28.673 10.502 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.088 29.673 11.215 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.577 27.553 10.915 1.00 0.00 N ATOM 0 HA ASN A 45 9.338 26.902 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.110 29.137 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.547 29.404 9.147 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.018 27.504 11.833 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.546 26.725 10.320 1.00 0.00 H new ATOM 703 N GLN A 46 9.419 26.528 6.485 1.00 0.00 N ATOM 704 CA GLN A 46 8.705 26.530 5.215 1.00 0.00 C ATOM 705 C GLN A 46 8.936 27.840 4.472 1.00 0.00 C ATOM 706 O GLN A 46 7.986 28.501 4.062 1.00 0.00 O ATOM 707 CB GLN A 46 7.213 26.386 5.462 1.00 0.00 C ATOM 708 CG GLN A 46 6.937 25.202 6.379 1.00 0.00 C ATOM 709 CD GLN A 46 5.441 25.137 6.639 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.677 24.734 5.765 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.976 25.529 7.790 1.00 0.00 N ATOM 0 H GLN A 46 10.107 25.782 6.588 1.00 0.00 H new ATOM 0 HA GLN A 46 9.077 25.697 4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.823 27.300 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.693 26.249 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.283 24.277 5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.481 25.314 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.615 25.862 8.511 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.972 25.503 7.970 1.00 0.00 H new ATOM 720 N LEU A 47 10.195 28.225 4.317 1.00 0.00 N ATOM 721 CA LEU A 47 10.524 29.477 3.640 1.00 0.00 C ATOM 722 C LEU A 47 9.621 29.729 2.425 1.00 0.00 C ATOM 723 O LEU A 47 9.001 30.785 2.322 1.00 0.00 O ATOM 724 CB LEU A 47 11.983 29.450 3.177 1.00 0.00 C ATOM 725 CG LEU A 47 12.913 29.601 4.381 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.309 29.099 4.010 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.995 31.077 4.776 1.00 0.00 C ATOM 0 H LEU A 47 11.002 27.695 4.647 1.00 0.00 H new ATOM 0 HA LEU A 47 10.366 30.284 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.192 28.514 2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.163 30.255 2.464 1.00 0.00 H new ATOM 0 HG LEU A 47 12.525 29.019 5.217 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.974 29.206 4.867 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.254 28.049 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.696 29.684 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.658 31.188 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.385 31.656 3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.001 31.440 5.036 1.00 0.00 H new ATOM 739 N ASP A 48 9.583 28.781 1.487 1.00 0.00 N ATOM 740 CA ASP A 48 8.791 28.958 0.263 1.00 0.00 C ATOM 741 C ASP A 48 7.307 29.197 0.549 1.00 0.00 C ATOM 742 O ASP A 48 6.731 30.162 0.045 1.00 0.00 O ATOM 743 CB ASP A 48 8.932 27.727 -0.633 1.00 0.00 C ATOM 744 CG ASP A 48 10.383 27.562 -1.071 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.133 28.518 -0.943 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 10.723 26.481 -1.528 1.00 0.00 O ATOM 0 H ASP A 48 10.083 27.894 1.547 1.00 0.00 H new ATOM 0 HA ASP A 48 9.181 29.844 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.602 26.837 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.289 27.828 -1.507 1.00 0.00 H new ATOM 751 N LEU A 49 6.690 28.337 1.348 1.00 0.00 N ATOM 752 CA LEU A 49 5.279 28.519 1.656 1.00 0.00 C ATOM 753 C LEU A 49 5.102 29.745 2.542 1.00 0.00 C ATOM 754 O LEU A 49 4.119 30.474 2.413 1.00 0.00 O ATOM 755 CB LEU A 49 4.704 27.262 2.312 1.00 0.00 C ATOM 756 CG LEU A 49 4.906 26.076 1.363 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.406 24.787 2.016 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.127 26.316 0.065 1.00 0.00 C ATOM 0 H LEU A 49 7.130 27.527 1.784 1.00 0.00 H new ATOM 0 HA LEU A 49 4.726 28.683 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.199 27.073 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.644 27.399 2.526 1.00 0.00 H new ATOM 0 HG LEU A 49 5.969 25.980 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.555 23.951 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.961 24.606 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.345 24.883 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.272 25.471 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.066 26.421 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.488 27.227 -0.413 1.00 0.00 H new ATOM 770 N LEU A 50 6.061 29.972 3.445 1.00 0.00 N ATOM 771 CA LEU A 50 5.969 31.124 4.329 1.00 0.00 C ATOM 772 C LEU A 50 5.946 32.400 3.502 1.00 0.00 C ATOM 773 O LEU A 50 5.130 33.287 3.747 1.00 0.00 O ATOM 774 CB LEU A 50 7.155 31.180 5.300 1.00 0.00 C ATOM 775 CG LEU A 50 6.662 31.664 6.668 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.859 31.942 7.583 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.848 32.950 6.496 1.00 0.00 C ATOM 0 H LEU A 50 6.886 29.388 3.577 1.00 0.00 H new ATOM 0 HA LEU A 50 5.051 31.030 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.612 30.195 5.392 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.922 31.853 4.917 1.00 0.00 H new ATOM 0 HG LEU A 50 6.036 30.891 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.503 32.286 8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.438 31.028 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.489 32.711 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.498 33.292 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.474 33.719 6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.991 32.755 5.851 1.00 0.00 H new ATOM 789 N HIS A 51 6.850 32.499 2.523 1.00 0.00 N ATOM 790 CA HIS A 51 6.913 33.679 1.675 1.00 0.00 C ATOM 791 C HIS A 51 5.579 33.908 0.974 1.00 0.00 C ATOM 792 O HIS A 51 5.045 35.012 0.986 1.00 0.00 O ATOM 793 CB HIS A 51 8.029 33.505 0.635 1.00 0.00 C ATOM 794 CG HIS A 51 9.368 33.434 1.327 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.801 34.422 2.190 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.384 32.506 1.287 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.030 34.075 2.628 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.430 32.917 2.107 1.00 0.00 N ATOM 0 H HIS A 51 7.540 31.780 2.304 1.00 0.00 H new ATOM 0 HA HIS A 51 7.128 34.548 2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.860 32.597 0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.017 34.338 -0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.371 31.596 0.706 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.617 34.665 3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.313 32.435 2.273 1.00 0.00 H new ATOM 807 N LYS A 52 5.039 32.855 0.364 1.00 0.00 N ATOM 808 CA LYS A 52 3.762 32.972 -0.328 1.00 0.00 C ATOM 809 C LYS A 52 2.675 33.351 0.670 1.00 0.00 C ATOM 810 O LYS A 52 1.918 34.300 0.457 1.00 0.00 O ATOM 811 CB LYS A 52 3.422 31.644 -1.009 1.00 0.00 C ATOM 812 CG LYS A 52 4.483 31.357 -2.070 1.00 0.00 C ATOM 813 CD LYS A 52 4.141 30.075 -2.830 1.00 0.00 C ATOM 814 CE LYS A 52 5.168 29.877 -3.945 1.00 0.00 C ATOM 815 NZ LYS A 52 5.076 28.488 -4.474 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.459 31.926 0.335 1.00 0.00 H new ATOM 0 HA LYS A 52 3.828 33.749 -1.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.393 30.839 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.434 31.695 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.547 32.194 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.461 31.258 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.149 29.221 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.137 30.140 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.991 30.594 -4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.172 30.066 -3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.776 28.358 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.266 27.811 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.121 28.323 -4.853 1.00 0.00 H new ATOM 829 N TRP A 53 2.617 32.607 1.763 1.00 0.00 N ATOM 830 CA TRP A 53 1.642 32.857 2.813 1.00 0.00 C ATOM 831 C TRP A 53 1.783 34.290 3.336 1.00 0.00 C ATOM 832 O TRP A 53 0.813 35.045 3.377 1.00 0.00 O ATOM 833 CB TRP A 53 1.903 31.864 3.943 1.00 0.00 C ATOM 834 CG TRP A 53 0.733 31.780 4.867 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.326 30.951 4.710 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.503 32.516 6.103 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.189 31.126 5.778 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.722 32.080 6.662 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.231 33.507 6.784 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.205 32.609 7.858 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.748 34.040 7.986 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.468 33.589 8.525 1.00 0.00 C ATOM 0 H TRP A 53 3.238 31.819 1.947 1.00 0.00 H new ATOM 0 HA TRP A 53 0.631 32.734 2.424 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.111 30.879 3.525 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.789 32.168 4.500 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.473 30.267 3.888 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.063 30.614 5.898 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.168 33.859 6.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.143 32.263 8.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.314 34.802 8.501 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.833 34.000 9.455 1.00 0.00 H new ATOM 853 N LEU A 54 2.999 34.640 3.748 1.00 0.00 N ATOM 854 CA LEU A 54 3.258 35.975 4.283 1.00 0.00 C ATOM 855 C LEU A 54 2.856 37.043 3.275 1.00 0.00 C ATOM 856 O LEU A 54 2.127 37.980 3.604 1.00 0.00 O ATOM 857 CB LEU A 54 4.747 36.147 4.624 1.00 0.00 C ATOM 858 CG LEU A 54 4.957 37.485 5.346 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.507 37.375 6.808 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.440 37.874 5.314 1.00 0.00 C ATOM 0 H LEU A 54 3.813 34.026 3.723 1.00 0.00 H new ATOM 0 HA LEU A 54 2.665 36.088 5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.084 35.325 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.345 36.115 3.713 1.00 0.00 H new ATOM 0 HG LEU A 54 4.365 38.246 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.661 38.331 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.450 37.113 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.090 36.603 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.578 38.825 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.029 37.103 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.769 37.971 4.279 1.00 0.00 H new ATOM 872 N ASP A 55 3.342 36.905 2.046 1.00 0.00 N ATOM 873 CA ASP A 55 3.041 37.873 1.001 1.00 0.00 C ATOM 874 C ASP A 55 1.530 38.032 0.796 1.00 0.00 C ATOM 875 O ASP A 55 1.046 39.140 0.571 1.00 0.00 O ATOM 876 CB ASP A 55 3.699 37.437 -0.310 1.00 0.00 C ATOM 877 CG ASP A 55 5.204 37.286 -0.105 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.728 37.922 0.795 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.811 36.532 -0.851 1.00 0.00 O ATOM 0 H ASP A 55 3.943 36.136 1.751 1.00 0.00 H new ATOM 0 HA ASP A 55 3.439 38.839 1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.271 36.492 -0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.500 38.172 -1.090 1.00 0.00 H new ATOM 884 N ARG A 56 0.787 36.927 0.863 1.00 0.00 N ATOM 885 CA ARG A 56 -0.659 36.978 0.674 1.00 0.00 C ATOM 886 C ARG A 56 -1.338 37.734 1.815 1.00 0.00 C ATOM 887 O ARG A 56 -2.359 38.391 1.615 1.00 0.00 O ATOM 888 CB ARG A 56 -1.219 35.555 0.597 1.00 0.00 C ATOM 889 CG ARG A 56 -2.158 35.425 -0.611 1.00 0.00 C ATOM 890 CD ARG A 56 -3.474 36.168 -0.345 1.00 0.00 C ATOM 891 NE ARG A 56 -4.521 35.236 0.069 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.784 35.388 -0.329 1.00 0.00 C ATOM 893 NH1 ARG A 56 -6.100 36.325 -1.183 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.710 34.586 0.123 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.160 35.995 1.045 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.863 37.507 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.402 34.838 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.758 35.317 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.676 35.832 -1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.361 34.373 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.322 36.919 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.787 36.697 -1.245 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.280 34.452 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.378 36.946 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.068 36.436 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.466 33.845 0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.677 34.701 -0.181 1.00 0.00 H new ATOM 908 N HIS A 57 -0.772 37.647 3.013 1.00 0.00 N ATOM 909 CA HIS A 57 -1.361 38.332 4.155 1.00 0.00 C ATOM 910 C HIS A 57 -0.492 39.494 4.613 1.00 0.00 C ATOM 911 O HIS A 57 -0.641 39.972 5.732 1.00 0.00 O ATOM 912 CB HIS A 57 -1.557 37.361 5.316 1.00 0.00 C ATOM 913 CG HIS A 57 -2.344 36.173 4.843 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.411 36.300 3.971 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.253 34.836 5.138 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.923 35.072 3.778 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.254 34.142 4.467 1.00 0.00 N ATOM 0 H HIS A 57 0.077 37.120 3.216 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.328 38.723 3.838 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.590 37.040 5.704 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.080 37.856 6.134 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.517 34.391 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.771 34.862 3.144 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.438 33.139 4.495 1.00 0.00 H new ATOM 926 N ARG A 58 0.406 39.955 3.751 1.00 0.00 N ATOM 927 CA ARG A 58 1.262 41.069 4.116 1.00 0.00 C ATOM 928 C ARG A 58 0.417 42.260 4.566 1.00 0.00 C ATOM 929 O ARG A 58 0.808 43.008 5.463 1.00 0.00 O ATOM 930 CB ARG A 58 2.159 41.452 2.942 1.00 0.00 C ATOM 931 CG ARG A 58 1.317 41.965 1.777 1.00 0.00 C ATOM 932 CD ARG A 58 2.220 42.096 0.560 1.00 0.00 C ATOM 933 NE ARG A 58 3.225 43.124 0.809 1.00 0.00 N ATOM 934 CZ ARG A 58 4.041 43.545 -0.151 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.053 42.947 -1.311 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.851 44.545 0.076 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.557 39.582 2.814 1.00 0.00 H new ATOM 0 HA ARG A 58 1.898 40.768 4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.868 42.219 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.743 40.588 2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.497 41.278 1.569 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.871 42.928 2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.704 41.143 0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.629 42.355 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 58 3.303 43.529 1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.435 42.154 -1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.681 43.273 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.856 45.000 0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.479 44.870 -0.659 1.00 0.00 H new ATOM 950 N ASP A 59 -0.749 42.418 3.946 1.00 0.00 N ATOM 951 CA ASP A 59 -1.655 43.514 4.294 1.00 0.00 C ATOM 952 C ASP A 59 -2.002 43.467 5.780 1.00 0.00 C ATOM 953 O ASP A 59 -2.152 44.502 6.429 1.00 0.00 O ATOM 954 CB ASP A 59 -2.947 43.396 3.483 1.00 0.00 C ATOM 955 CG ASP A 59 -2.659 43.594 2.000 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.625 44.160 1.687 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.475 43.169 1.198 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.089 41.806 3.204 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.157 44.457 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.399 42.417 3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.667 44.140 3.823 1.00 0.00 H new ATOM 962 N MET A 60 -2.133 42.254 6.303 1.00 0.00 N ATOM 963 CA MET A 60 -2.474 42.062 7.708 1.00 0.00 C ATOM 964 C MET A 60 -1.472 42.790 8.594 1.00 0.00 C ATOM 965 O MET A 60 -1.796 43.210 9.701 1.00 0.00 O ATOM 966 CB MET A 60 -2.444 40.573 8.058 1.00 0.00 C ATOM 967 CG MET A 60 -1.005 40.160 8.387 1.00 0.00 C ATOM 968 SD MET A 60 -0.813 38.374 8.165 1.00 0.00 S ATOM 969 CE MET A 60 0.938 38.265 8.599 1.00 0.00 C ATOM 0 H MET A 60 -2.009 41.389 5.777 1.00 0.00 H new ATOM 0 HA MET A 60 -3.474 42.461 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.095 40.374 8.909 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.822 39.983 7.223 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.307 40.693 7.741 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.763 40.436 9.413 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.211 37.221 8.752 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.540 38.683 7.792 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.121 38.826 9.516 1.00 0.00 H new ATOM 979 N CYS A 61 -0.248 42.931 8.093 1.00 0.00 N ATOM 980 CA CYS A 61 0.808 43.600 8.845 1.00 0.00 C ATOM 981 C CYS A 61 0.420 45.043 9.137 1.00 0.00 C ATOM 982 O CYS A 61 0.868 45.631 10.120 1.00 0.00 O ATOM 983 CB CYS A 61 2.119 43.569 8.057 1.00 0.00 C ATOM 984 SG CYS A 61 2.101 44.875 6.804 1.00 0.00 S ATOM 0 H CYS A 61 0.036 42.592 7.174 1.00 0.00 H new ATOM 0 HA CYS A 61 0.945 43.072 9.789 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.964 43.709 8.731 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.247 42.596 7.582 1.00 0.00 H new ATOM 0 HG CYS A 61 1.544 44.427 5.718 1.00 0.00 H new ATOM 990 N GLU A 62 -0.413 45.607 8.275 1.00 0.00 N ATOM 991 CA GLU A 62 -0.858 46.982 8.446 1.00 0.00 C ATOM 992 C GLU A 62 -1.817 47.093 9.629 1.00 0.00 C ATOM 993 O GLU A 62 -2.132 48.195 10.078 1.00 0.00 O ATOM 994 CB GLU A 62 -1.569 47.459 7.174 1.00 0.00 C ATOM 995 CG GLU A 62 -0.576 47.501 6.012 1.00 0.00 C ATOM 996 CD GLU A 62 -1.289 47.920 4.729 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.490 48.125 4.781 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.623 48.020 3.712 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.793 45.136 7.454 1.00 0.00 H new ATOM 0 HA GLU A 62 0.015 47.605 8.637 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.395 46.789 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.997 48.448 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.228 48.202 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.118 46.521 5.879 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.296 45.950 10.117 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.238 45.932 11.230 1.00 0.00 C ATOM 1007 C LYS A 63 -2.525 45.949 12.586 1.00 0.00 C ATOM 1008 O LYS A 63 -3.132 45.631 13.608 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.104 44.672 11.140 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.645 44.508 9.715 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.401 45.770 9.291 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.206 45.472 8.022 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.256 46.686 7.160 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.047 45.028 9.759 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.851 46.830 11.159 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.517 43.797 11.418 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.931 44.738 11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.823 44.318 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.308 43.644 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.067 46.095 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.700 46.584 9.109 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.750 44.646 7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.217 45.160 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.803 46.479 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.710 47.463 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.289 46.965 6.896 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.248 46.328 12.599 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.497 46.389 13.857 1.00 0.00 C ATOM 1029 C TRP A 64 0.889 46.983 13.643 1.00 0.00 C ATOM 1030 O TRP A 64 1.420 47.680 14.512 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.352 44.992 14.460 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.683 43.966 13.427 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.027 43.798 12.256 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.735 42.964 13.455 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.614 42.753 11.565 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.674 42.209 12.262 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.728 42.645 14.394 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.569 41.169 12.008 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.632 41.601 14.145 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.553 40.865 12.953 1.00 0.00 C ATOM 0 H TRP A 64 -0.717 46.594 11.770 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.055 47.029 14.541 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.666 44.844 14.821 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.014 44.885 15.319 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.815 44.383 11.917 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.301 42.424 10.651 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.797 43.207 15.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.502 40.604 11.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.392 41.363 14.874 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.252 40.064 12.766 1.00 0.00 H new ATOM 1051 N LYS A 65 1.479 46.669 12.497 1.00 0.00 N ATOM 1052 CA LYS A 65 2.821 47.139 12.180 1.00 0.00 C ATOM 1053 C LYS A 65 3.757 46.807 13.335 1.00 0.00 C ATOM 1054 O LYS A 65 4.873 47.319 13.421 1.00 0.00 O ATOM 1055 CB LYS A 65 2.815 48.647 11.917 1.00 0.00 C ATOM 1056 CG LYS A 65 1.807 48.952 10.806 1.00 0.00 C ATOM 1057 CD LYS A 65 1.763 50.459 10.532 1.00 0.00 C ATOM 1058 CE LYS A 65 2.998 50.880 9.730 1.00 0.00 C ATOM 1059 NZ LYS A 65 3.808 51.841 10.534 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.051 46.092 11.773 1.00 0.00 H new ATOM 0 HA LYS A 65 3.170 46.639 11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.549 49.187 12.826 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.810 48.983 11.626 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.083 48.417 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.817 48.598 11.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.857 50.711 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.726 51.008 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.597 50.005 9.478 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.695 51.341 8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.647 52.128 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.234 52.680 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.108 51.386 11.420 1.00 0.00 H new ATOM 1073 N SER A 66 3.281 45.931 14.217 1.00 0.00 N ATOM 1074 CA SER A 66 4.061 45.505 15.368 1.00 0.00 C ATOM 1075 C SER A 66 4.894 44.281 15.021 1.00 0.00 C ATOM 1076 O SER A 66 5.116 43.981 13.848 1.00 0.00 O ATOM 1077 CB SER A 66 3.131 45.173 16.528 1.00 0.00 C ATOM 1078 OG SER A 66 2.478 43.942 16.257 1.00 0.00 O ATOM 0 H SER A 66 2.357 45.504 14.153 1.00 0.00 H new ATOM 0 HA SER A 66 4.728 46.318 15.656 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.697 45.103 17.457 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.397 45.968 16.662 1.00 0.00 H new ATOM 0 HG SER A 66 2.963 43.211 16.694 1.00 0.00 H new ATOM 1084 N LYS A 67 5.352 43.575 16.047 1.00 0.00 N ATOM 1085 CA LYS A 67 6.157 42.384 15.828 1.00 0.00 C ATOM 1086 C LYS A 67 5.669 41.212 16.675 1.00 0.00 C ATOM 1087 O LYS A 67 5.224 40.193 16.147 1.00 0.00 O ATOM 1088 CB LYS A 67 7.619 42.677 16.157 1.00 0.00 C ATOM 1089 CG LYS A 67 8.409 41.375 16.089 1.00 0.00 C ATOM 1090 CD LYS A 67 9.882 41.642 16.386 1.00 0.00 C ATOM 1091 CE LYS A 67 10.657 40.334 16.257 1.00 0.00 C ATOM 1092 NZ LYS A 67 9.733 39.268 15.770 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.182 43.804 17.026 1.00 0.00 H new ATOM 0 HA LYS A 67 6.061 42.107 14.778 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.026 43.403 15.453 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.701 43.117 17.151 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.009 40.659 16.807 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.304 40.928 15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.278 42.385 15.693 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.996 42.050 17.390 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.489 40.456 15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.083 40.052 17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.245 38.365 15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.935 39.172 16.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.374 39.524 14.828 1.00 0.00 H new ATOM 1106 N GLU A 68 5.782 41.350 17.990 1.00 0.00 N ATOM 1107 CA GLU A 68 5.375 40.282 18.897 1.00 0.00 C ATOM 1108 C GLU A 68 3.891 39.959 18.755 1.00 0.00 C ATOM 1109 O GLU A 68 3.501 38.794 18.809 1.00 0.00 O ATOM 1110 CB GLU A 68 5.671 40.695 20.337 1.00 0.00 C ATOM 1111 CG GLU A 68 7.183 40.750 20.551 1.00 0.00 C ATOM 1112 CD GLU A 68 7.484 41.087 22.006 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.596 41.592 22.673 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.600 40.836 22.433 1.00 0.00 O ATOM 0 H GLU A 68 6.149 42.183 18.450 1.00 0.00 H new ATOM 0 HA GLU A 68 5.941 39.387 18.639 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.228 41.669 20.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.221 39.985 21.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.632 39.792 20.289 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.626 41.499 19.895 1.00 0.00 H new ATOM 1121 N ASP A 69 3.064 40.983 18.566 1.00 0.00 N ATOM 1122 CA ASP A 69 1.631 40.749 18.418 1.00 0.00 C ATOM 1123 C ASP A 69 1.365 39.929 17.167 1.00 0.00 C ATOM 1124 O ASP A 69 0.582 38.980 17.186 1.00 0.00 O ATOM 1125 CB ASP A 69 0.876 42.073 18.324 1.00 0.00 C ATOM 1126 CG ASP A 69 1.007 42.847 19.629 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.005 42.218 20.673 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 1.099 44.062 19.566 1.00 0.00 O ATOM 0 H ASP A 69 3.351 41.960 18.513 1.00 0.00 H new ATOM 0 HA ASP A 69 1.282 40.203 19.295 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.270 42.667 17.499 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.176 41.886 18.108 1.00 0.00 H new ATOM 1133 N ILE A 70 2.027 40.300 16.078 1.00 0.00 N ATOM 1134 CA ILE A 70 1.854 39.584 14.827 1.00 0.00 C ATOM 1135 C ILE A 70 2.219 38.116 15.018 1.00 0.00 C ATOM 1136 O ILE A 70 1.539 37.227 14.505 1.00 0.00 O ATOM 1137 CB ILE A 70 2.725 40.209 13.735 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.280 41.657 13.515 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.561 39.415 12.436 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.161 42.315 12.451 1.00 0.00 C ATOM 0 H ILE A 70 2.680 41.083 16.038 1.00 0.00 H new ATOM 0 HA ILE A 70 0.811 39.653 14.520 1.00 0.00 H new ATOM 0 HB ILE A 70 3.772 40.188 14.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.236 41.683 13.202 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.346 42.213 14.450 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.181 39.859 11.657 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.869 38.382 12.600 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.517 39.438 12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.840 43.345 12.299 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.200 42.304 12.781 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.072 41.765 11.514 1.00 0.00 H new ATOM 1152 N LEU A 71 3.288 37.872 15.775 1.00 0.00 N ATOM 1153 CA LEU A 71 3.732 36.513 16.048 1.00 0.00 C ATOM 1154 C LEU A 71 2.617 35.700 16.691 1.00 0.00 C ATOM 1155 O LEU A 71 2.395 34.544 16.330 1.00 0.00 O ATOM 1156 CB LEU A 71 4.944 36.544 16.983 1.00 0.00 C ATOM 1157 CG LEU A 71 6.153 37.132 16.249 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.327 37.266 17.222 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.558 36.202 15.102 1.00 0.00 C ATOM 0 H LEU A 71 3.859 38.598 16.208 1.00 0.00 H new ATOM 0 HA LEU A 71 4.007 36.044 15.103 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.718 37.141 17.866 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.173 35.536 17.330 1.00 0.00 H new ATOM 0 HG LEU A 71 5.890 38.113 15.852 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.187 37.684 16.699 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.046 37.925 18.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.586 36.284 17.618 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.418 36.621 14.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.818 35.222 15.503 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.726 36.100 14.406 1.00 0.00 H new ATOM 1171 N HIS A 72 1.907 36.313 17.627 1.00 0.00 N ATOM 1172 CA HIS A 72 0.806 35.630 18.293 1.00 0.00 C ATOM 1173 C HIS A 72 -0.257 35.234 17.277 1.00 0.00 C ATOM 1174 O HIS A 72 -0.797 34.128 17.322 1.00 0.00 O ATOM 1175 CB HIS A 72 0.174 36.539 19.347 1.00 0.00 C ATOM 1176 CG HIS A 72 1.052 36.616 20.566 1.00 0.00 C ATOM 1177 ND1 HIS A 72 2.266 37.285 20.568 1.00 0.00 N ATOM 1178 CD2 HIS A 72 0.885 36.136 21.840 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.773 37.197 21.812 1.00 0.00 C ATOM 1180 NE2 HIS A 72 1.972 36.503 22.626 1.00 0.00 N ATOM 0 H HIS A 72 2.070 37.270 17.940 1.00 0.00 H new ATOM 0 HA HIS A 72 1.201 34.737 18.776 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.025 37.537 18.934 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.809 36.158 19.623 1.00 0.00 H new ATOM 0 HD1 HIS A 72 2.696 37.757 19.773 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.037 35.560 22.181 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.713 37.634 22.115 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.563 36.148 16.362 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.574 35.882 15.345 1.00 0.00 C ATOM 1191 C LYS A 73 -1.145 34.728 14.446 1.00 0.00 C ATOM 1192 O LYS A 73 -1.887 33.768 14.263 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.794 37.126 14.480 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.051 38.355 15.363 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.324 38.165 16.193 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.501 37.842 15.271 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.763 38.338 15.892 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.131 37.070 16.303 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.500 35.617 15.855 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.920 37.299 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.641 36.967 13.812 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.200 38.519 16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.146 39.244 14.740 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.183 37.359 16.913 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.535 39.069 16.764 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.354 38.308 14.297 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.562 36.767 15.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.566 38.120 15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.903 37.873 16.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.701 39.367 16.030 1.00 0.00 H new ATOM 1211 N LEU A 74 0.054 34.825 13.874 1.00 0.00 N ATOM 1212 CA LEU A 74 0.534 33.768 12.989 1.00 0.00 C ATOM 1213 C LEU A 74 0.545 32.431 13.710 1.00 0.00 C ATOM 1214 O LEU A 74 0.201 31.408 13.126 1.00 0.00 O ATOM 1215 CB LEU A 74 1.931 34.094 12.444 1.00 0.00 C ATOM 1216 CG LEU A 74 1.796 35.063 11.265 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.487 36.465 11.785 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.099 35.095 10.457 1.00 0.00 C ATOM 0 H LEU A 74 0.697 35.606 14.003 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.151 33.702 12.144 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.546 34.538 13.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.432 33.181 12.124 1.00 0.00 H new ATOM 0 HG LEU A 74 0.984 34.725 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.392 37.152 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.553 36.447 12.347 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.296 36.798 12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.992 35.787 9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.917 35.424 11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.316 34.097 10.076 1.00 0.00 H new ATOM 1230 N ASN A 75 0.918 32.437 14.982 1.00 0.00 N ATOM 1231 CA ASN A 75 0.941 31.203 15.753 1.00 0.00 C ATOM 1232 C ASN A 75 -0.448 30.566 15.751 1.00 0.00 C ATOM 1233 O ASN A 75 -0.595 29.366 15.524 1.00 0.00 O ATOM 1234 CB ASN A 75 1.374 31.507 17.188 1.00 0.00 C ATOM 1235 CG ASN A 75 2.779 32.100 17.188 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.199 32.758 18.233 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.511 31.963 16.209 1.00 0.00 N flip ATOM 0 H ASN A 75 1.205 33.270 15.496 1.00 0.00 H new ATOM 0 HA ASN A 75 1.650 30.507 15.303 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.675 32.205 17.649 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.354 30.595 17.785 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.180 31.448 15.393 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.449 32.364 16.213 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.464 31.392 15.997 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.845 30.918 16.014 1.00 0.00 C ATOM 1246 C GLU A 76 -3.245 30.428 14.627 1.00 0.00 C ATOM 1247 O GLU A 76 -3.913 29.404 14.481 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.776 32.058 16.446 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.166 31.506 16.780 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.116 32.659 17.093 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.641 33.774 17.232 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.309 32.412 17.181 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.357 32.388 16.186 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.930 30.093 16.721 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.360 32.568 17.315 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.852 32.798 15.649 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.548 30.925 15.941 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.104 30.831 17.634 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.817 31.166 13.610 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.119 30.810 12.233 1.00 0.00 C ATOM 1261 C GLN A 77 -2.307 29.594 11.795 1.00 0.00 C ATOM 1262 O GLN A 77 -2.802 28.726 11.078 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.801 31.993 11.319 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.640 33.205 11.735 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.125 32.884 11.619 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.590 32.469 10.558 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.900 33.054 12.655 1.00 0.00 N ATOM 0 H GLN A 77 -2.260 32.014 13.715 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.178 30.562 12.164 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.740 32.235 11.377 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.012 31.731 10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.401 33.487 12.760 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.395 34.059 11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.510 33.398 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.896 32.843 12.587 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.055 29.542 12.231 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.177 28.433 11.873 1.00 0.00 C ATOM 1278 C TRP A 78 -0.840 27.109 12.236 1.00 0.00 C ATOM 1279 O TRP A 78 -0.877 26.177 11.433 1.00 0.00 O ATOM 1280 CB TRP A 78 1.144 28.561 12.630 1.00 0.00 C ATOM 1281 CG TRP A 78 2.252 27.948 11.837 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.476 26.620 11.693 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.301 28.624 11.094 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.599 26.443 10.902 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.144 27.650 10.512 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.595 29.979 10.871 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.251 28.012 9.736 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.705 30.348 10.094 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.533 29.367 9.528 1.00 0.00 C ATOM 0 H TRP A 78 -0.626 30.249 12.829 1.00 0.00 H new ATOM 0 HA TRP A 78 0.012 28.460 10.800 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.362 29.612 12.822 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.065 28.070 13.600 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.878 25.830 12.124 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.977 25.533 10.640 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.963 30.743 11.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.883 27.252 9.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.923 31.393 9.931 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.386 29.657 8.933 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.372 27.045 13.451 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.047 25.849 13.924 1.00 0.00 C ATOM 1302 C ASN A 79 -3.355 25.659 13.173 1.00 0.00 C ATOM 1303 O ASN A 79 -3.775 24.535 12.900 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.315 25.978 15.421 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.989 26.009 16.174 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.298 24.995 16.255 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.588 27.123 16.724 1.00 0.00 N ATOM 0 H ASN A 79 -1.347 27.810 14.125 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.413 24.980 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.881 26.887 15.623 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.922 25.141 15.766 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.301 27.154 17.223 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.164 27.962 16.655 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.994 26.775 12.841 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.256 26.735 12.117 1.00 0.00 C ATOM 1316 C LYS A 80 -4.993 26.633 10.620 1.00 0.00 C ATOM 1317 O LYS A 80 -5.917 26.444 9.829 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.062 27.999 12.411 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.553 27.710 12.214 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.337 29.023 12.093 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.360 29.751 13.442 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.890 31.132 13.255 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.660 27.713 13.061 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.823 25.862 12.441 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.877 28.332 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.747 28.806 11.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.698 27.107 11.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.932 27.128 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.880 29.660 11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.356 28.818 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.982 29.205 14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.355 29.790 13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.688 31.699 14.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.434 31.570 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.918 31.092 13.102 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.726 26.763 10.238 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.348 26.688 8.830 1.00 0.00 C ATOM 1338 C ASP A 81 -2.821 25.299 8.487 1.00 0.00 C ATOM 1339 O ASP A 81 -3.600 24.363 8.535 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.273 27.732 8.520 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.851 29.136 8.661 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -4.060 29.248 8.763 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -2.075 30.079 8.668 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -1.642 25.191 8.188 1.00 0.00 O ATOM 0 H ASP A 81 -2.948 26.920 10.879 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.234 26.887 8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.428 27.608 9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.894 27.586 7.508 1.00 0.00 H new