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 18 LYS NZ :NH3+ 163:sc= -1.39 (180deg=-0.419) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -6.79 K(o=-8.2,f=-11!) USER MOD Set 2.1: A 28 ASN : amide:sc= -8.51! C(o=-10!,f=-10!) USER MOD Set 2.2: A 30 GLN : amide:sc= -1.59 K(o=-10,f=-14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.29 F(o=-2.8,f=-1.3) USER MOD Single : A 16 GLN : amide:sc= -7.13! C(o=-7.1!,f=-10!) USER MOD Single : A 19 GLN : amide:sc= -8.21! C(o=-8.2!,f=-8!) USER MOD Single : A 23 SER OG : rot 98:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= -1.09! (180deg=-1.69!) USER MOD Single : A 45 ASN : amide:sc= -5.24! C(o=-5.2!,f=-9.2!) USER MOD Single : A 46 GLN : amide:sc= -10.9! C(o=-11!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ 151:sc= -0.28 (180deg=-1.23!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0375 X(o=-0.038,f=0.00026) USER MOD Single : A 60 MET CE :methyl -176:sc= -0.638 (180deg=-0.664) USER MOD Single : A 61 CYS SG : rot -82:sc= -1.64! 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 -8:sc= -1.44! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.655 K(o=-0.66,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= 0.98 (180deg=0.0948!) USER MOD Single : A 75 ASN : amide:sc= -4.56! C(o=-4.6!,f=-6.6!) USER MOD Single : A 77 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.8!) USER MOD Single : A 79 ASN : amide:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 80 LYS NZ :NH3+ -177:sc= -3.65! (180deg=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.154 49.912 0.759 1.00 0.00 N ATOM 93 CA LYS A 8 3.519 48.631 1.346 1.00 0.00 C ATOM 94 C LYS A 8 5.015 48.596 1.638 1.00 0.00 C ATOM 95 O LYS A 8 5.761 49.481 1.218 1.00 0.00 O ATOM 96 CB LYS A 8 3.147 47.485 0.399 1.00 0.00 C ATOM 97 CG LYS A 8 1.624 47.444 0.222 1.00 0.00 C ATOM 98 CD LYS A 8 1.223 46.162 -0.512 1.00 0.00 C ATOM 99 CE LYS A 8 -0.286 46.175 -0.779 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.720 44.834 -1.267 1.00 0.00 N1+ ATOM 0 HA LYS A 8 2.970 48.508 2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.633 47.624 -0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.503 46.536 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.134 47.486 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.290 48.316 -0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.769 46.083 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.490 45.290 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.825 46.433 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.528 46.938 -1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.744 44.845 -1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.216 44.605 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.503 44.116 -0.547 1.00 0.00 H new ATOM 114 N PHE A 9 5.445 47.576 2.365 1.00 0.00 N ATOM 115 CA PHE A 9 6.852 47.447 2.711 1.00 0.00 C ATOM 116 C PHE A 9 7.658 47.033 1.495 1.00 0.00 C ATOM 117 O PHE A 9 7.124 46.438 0.559 1.00 0.00 O ATOM 118 CB PHE A 9 7.016 46.422 3.830 1.00 0.00 C ATOM 119 CG PHE A 9 6.447 47.011 5.093 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.183 47.963 5.809 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.177 46.628 5.537 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.650 48.528 6.973 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.643 47.195 6.698 1.00 0.00 C ATOM 124 CZ PHE A 9 5.379 48.145 7.417 1.00 0.00 C ATOM 0 H PHE A 9 4.846 46.832 2.724 1.00 0.00 H new ATOM 0 HA PHE A 9 7.222 48.412 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.500 45.496 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.068 46.173 3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.162 48.261 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.609 45.895 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.219 49.259 7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.662 46.900 7.041 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.966 48.582 8.314 1.00 0.00 H new ATOM 134 N THR A 10 8.943 47.357 1.500 1.00 0.00 N ATOM 135 CA THR A 10 9.787 47.011 0.372 1.00 0.00 C ATOM 136 C THR A 10 10.289 45.586 0.514 1.00 0.00 C ATOM 137 O THR A 10 10.296 45.025 1.607 1.00 0.00 O ATOM 138 CB THR A 10 10.970 47.979 0.266 1.00 0.00 C ATOM 139 OG1 THR A 10 11.736 47.926 1.459 1.00 0.00 O ATOM 140 CG2 THR A 10 10.455 49.404 0.053 1.00 0.00 C ATOM 0 H THR A 10 9.415 47.850 2.258 1.00 0.00 H new ATOM 0 HA THR A 10 9.195 47.089 -0.540 1.00 0.00 H new ATOM 0 HB THR A 10 11.594 47.691 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.493 48.544 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.300 50.089 -0.022 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.871 49.446 -0.866 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.827 49.694 0.895 1.00 0.00 H new ATOM 148 N ASP A 11 10.706 45.010 -0.598 1.00 0.00 N ATOM 149 CA ASP A 11 11.209 43.646 -0.594 1.00 0.00 C ATOM 150 C ASP A 11 12.327 43.503 0.424 1.00 0.00 C ATOM 151 O ASP A 11 12.400 42.513 1.152 1.00 0.00 O ATOM 152 CB ASP A 11 11.730 43.297 -1.986 1.00 0.00 C ATOM 153 CG ASP A 11 10.566 43.219 -2.967 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.469 42.915 -2.529 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.789 43.469 -4.140 1.00 0.00 O1- ATOM 0 H ASP A 11 10.707 45.462 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 11 10.401 42.966 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.446 44.050 -2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.259 42.344 -1.958 1.00 0.00 H new ATOM 160 N ASP A 12 13.192 44.506 0.473 1.00 0.00 N ATOM 161 CA ASP A 12 14.305 44.495 1.406 1.00 0.00 C ATOM 162 C ASP A 12 13.800 44.544 2.843 1.00 0.00 C ATOM 163 O ASP A 12 14.225 43.758 3.695 1.00 0.00 O ATOM 164 CB ASP A 12 15.205 45.698 1.134 1.00 0.00 C ATOM 165 CG ASP A 12 15.806 45.584 -0.262 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.564 44.578 -0.910 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.501 46.501 -0.663 1.00 0.00 O1- ATOM 0 H ASP A 12 13.143 45.334 -0.121 1.00 0.00 H new ATOM 0 HA ASP A 12 14.871 43.573 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.631 46.621 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.999 45.747 1.879 1.00 0.00 H new ATOM 172 N GLU A 13 12.868 45.453 3.103 1.00 0.00 N ATOM 173 CA GLU A 13 12.296 45.572 4.436 1.00 0.00 C ATOM 174 C GLU A 13 11.505 44.312 4.754 1.00 0.00 C ATOM 175 O GLU A 13 11.554 43.792 5.869 1.00 0.00 O ATOM 176 CB GLU A 13 11.389 46.802 4.502 1.00 0.00 C ATOM 177 CG GLU A 13 12.242 48.069 4.416 1.00 0.00 C ATOM 178 CD GLU A 13 11.366 49.310 4.562 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.159 49.153 4.639 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.918 50.399 4.598 1.00 0.00 O ATOM 0 H GLU A 13 12.497 46.110 2.417 1.00 0.00 H new ATOM 0 HA GLU A 13 13.093 45.689 5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.668 46.780 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.818 46.797 5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.001 48.058 5.198 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.768 48.097 3.462 1.00 0.00 H new ATOM 187 N TRP A 14 10.787 43.819 3.753 1.00 0.00 N ATOM 188 CA TRP A 14 10.000 42.616 3.915 1.00 0.00 C ATOM 189 C TRP A 14 10.927 41.467 4.289 1.00 0.00 C ATOM 190 O TRP A 14 10.626 40.686 5.191 1.00 0.00 O ATOM 191 CB TRP A 14 9.265 42.324 2.611 1.00 0.00 C ATOM 192 CG TRP A 14 7.998 41.573 2.869 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.643 40.451 2.217 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.915 41.867 3.807 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.412 40.028 2.685 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.923 40.865 3.666 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.690 42.887 4.756 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.756 40.877 4.436 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.518 42.895 5.530 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.554 41.893 5.370 1.00 0.00 C ATOM 0 H TRP A 14 10.737 44.237 2.824 1.00 0.00 H new ATOM 0 HA TRP A 14 9.263 42.742 4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.040 43.259 2.098 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.908 41.744 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.225 39.960 1.452 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.925 39.198 2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.425 43.667 4.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.014 40.103 4.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.359 43.680 6.254 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.655 41.906 5.969 1.00 0.00 H new ATOM 211 N ASN A 15 12.072 41.383 3.615 1.00 0.00 N ATOM 212 CA ASN A 15 13.039 40.338 3.920 1.00 0.00 C ATOM 213 C ASN A 15 13.396 40.382 5.397 1.00 0.00 C ATOM 214 O ASN A 15 13.527 39.348 6.047 1.00 0.00 O ATOM 215 CB ASN A 15 14.314 40.541 3.098 1.00 0.00 C ATOM 216 CG ASN A 15 14.032 40.341 1.614 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.925 39.764 1.241 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.845 40.721 0.772 1.00 0.00 N flip ATOM 0 H ASN A 15 12.348 42.017 2.865 1.00 0.00 H new ATOM 0 HA ASN A 15 12.596 39.373 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.707 41.544 3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.080 39.839 3.426 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.711 41.172 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.653 40.585 -0.220 1.00 0.00 H new ATOM 225 N GLN A 16 13.544 41.591 5.925 1.00 0.00 N ATOM 226 CA GLN A 16 13.880 41.747 7.335 1.00 0.00 C ATOM 227 C GLN A 16 12.769 41.166 8.196 1.00 0.00 C ATOM 228 O GLN A 16 13.028 40.451 9.165 1.00 0.00 O ATOM 229 CB GLN A 16 14.083 43.224 7.680 1.00 0.00 C ATOM 230 CG GLN A 16 15.509 43.642 7.317 1.00 0.00 C ATOM 231 CD GLN A 16 15.664 43.707 5.802 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.716 42.672 5.137 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.739 44.869 5.213 1.00 0.00 N ATOM 0 H GLN A 16 13.439 42.464 5.409 1.00 0.00 H new ATOM 0 HA GLN A 16 14.809 41.213 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.364 43.837 7.137 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.904 43.388 8.743 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.735 44.614 7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.222 42.931 7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.696 45.725 5.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.841 44.921 4.199 1.00 0.00 H new ATOM 242 N LEU A 17 11.527 41.478 7.837 1.00 0.00 N ATOM 243 CA LEU A 17 10.383 40.976 8.587 1.00 0.00 C ATOM 244 C LEU A 17 10.359 39.451 8.562 1.00 0.00 C ATOM 245 O LEU A 17 10.040 38.809 9.562 1.00 0.00 O ATOM 246 CB LEU A 17 9.079 41.517 7.987 1.00 0.00 C ATOM 247 CG LEU A 17 7.887 41.055 8.833 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.795 41.889 10.113 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.592 41.226 8.032 1.00 0.00 C ATOM 0 H LEU A 17 11.290 42.069 7.040 1.00 0.00 H new ATOM 0 HA LEU A 17 10.473 41.315 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.110 42.606 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.967 41.166 6.961 1.00 0.00 H new ATOM 0 HG LEU A 17 8.027 40.006 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.945 41.552 10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.711 41.770 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.663 42.940 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.745 40.897 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.463 42.276 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.645 40.627 7.123 1.00 0.00 H new ATOM 261 N LYS A 18 10.697 38.873 7.410 1.00 0.00 N ATOM 262 CA LYS A 18 10.708 37.420 7.265 1.00 0.00 C ATOM 263 C LYS A 18 11.690 36.755 8.225 1.00 0.00 C ATOM 264 O LYS A 18 11.345 35.782 8.896 1.00 0.00 O ATOM 265 CB LYS A 18 11.099 37.058 5.838 1.00 0.00 C ATOM 266 CG LYS A 18 10.030 37.562 4.875 1.00 0.00 C ATOM 267 CD LYS A 18 10.421 37.185 3.449 1.00 0.00 C ATOM 268 CE LYS A 18 9.421 37.796 2.472 1.00 0.00 C ATOM 269 NZ LYS A 18 8.631 36.708 1.830 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.965 39.385 6.570 1.00 0.00 H new ATOM 0 HA LYS A 18 9.706 37.059 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.064 37.500 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.209 35.978 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.063 37.127 5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.926 38.643 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.427 37.543 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.438 36.101 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.756 38.483 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.945 38.377 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.776 37.110 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.207 36.247 1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.358 36.007 2.548 1.00 0.00 H new ATOM 283 N GLN A 19 12.915 37.271 8.286 1.00 0.00 N ATOM 284 CA GLN A 19 13.913 36.683 9.172 1.00 0.00 C ATOM 285 C GLN A 19 13.418 36.740 10.606 1.00 0.00 C ATOM 286 O GLN A 19 13.594 35.789 11.367 1.00 0.00 O ATOM 287 CB GLN A 19 15.255 37.419 9.046 1.00 0.00 C ATOM 288 CG GLN A 19 15.950 37.032 7.734 1.00 0.00 C ATOM 289 CD GLN A 19 14.929 36.542 6.709 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.320 37.344 6.007 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.706 35.263 6.579 1.00 0.00 N ATOM 0 H GLN A 19 13.235 38.075 7.746 1.00 0.00 H new ATOM 0 HA GLN A 19 14.067 35.643 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.091 38.496 9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.895 37.171 9.892 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.490 37.891 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.687 36.251 7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.211 34.595 7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.026 34.931 5.895 1.00 0.00 H new ATOM 300 N ASP A 20 12.794 37.855 10.971 1.00 0.00 N ATOM 301 CA ASP A 20 12.278 38.009 12.320 1.00 0.00 C ATOM 302 C ASP A 20 11.225 36.943 12.611 1.00 0.00 C ATOM 303 O ASP A 20 11.257 36.296 13.659 1.00 0.00 O ATOM 304 CB ASP A 20 11.652 39.398 12.468 1.00 0.00 C ATOM 305 CG ASP A 20 12.704 40.477 12.226 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.877 40.179 12.375 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.318 41.586 11.894 1.00 0.00 O ATOM 0 H ASP A 20 12.636 38.655 10.358 1.00 0.00 H new ATOM 0 HA ASP A 20 13.099 37.895 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.832 39.513 11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.228 39.510 13.466 1.00 0.00 H new ATOM 312 N PHE A 21 10.292 36.757 11.678 1.00 0.00 N ATOM 313 CA PHE A 21 9.237 35.763 11.858 1.00 0.00 C ATOM 314 C PHE A 21 9.835 34.370 11.949 1.00 0.00 C ATOM 315 O PHE A 21 9.503 33.597 12.845 1.00 0.00 O ATOM 316 CB PHE A 21 8.250 35.816 10.691 1.00 0.00 C ATOM 317 CG PHE A 21 7.290 36.968 10.876 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.652 38.075 11.655 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.031 36.932 10.260 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.761 39.140 11.816 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.140 38.000 10.421 1.00 0.00 C ATOM 322 CZ PHE A 21 5.505 39.104 11.200 1.00 0.00 C ATOM 0 H PHE A 21 10.245 37.275 10.800 1.00 0.00 H new ATOM 0 HA PHE A 21 8.709 35.990 12.784 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.791 35.930 9.752 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.698 34.878 10.629 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.621 38.105 12.132 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.748 36.079 9.661 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.042 39.992 12.417 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.171 37.972 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.818 39.928 11.326 1.00 0.00 H new ATOM 332 N ILE A 22 10.736 34.065 11.027 1.00 0.00 N ATOM 333 CA ILE A 22 11.382 32.765 11.034 1.00 0.00 C ATOM 334 C ILE A 22 12.070 32.567 12.375 1.00 0.00 C ATOM 335 O ILE A 22 11.927 31.528 13.017 1.00 0.00 O ATOM 336 CB ILE A 22 12.397 32.671 9.893 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.654 32.773 8.560 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.127 31.327 9.963 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.660 32.936 7.420 1.00 0.00 C ATOM 0 H ILE A 22 11.032 34.690 10.277 1.00 0.00 H new ATOM 0 HA ILE A 22 10.637 31.983 10.888 1.00 0.00 H new ATOM 0 HB ILE A 22 13.122 33.480 9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.050 31.880 8.400 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.970 33.621 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.849 31.262 9.149 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.647 31.245 10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.405 30.516 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.127 33.008 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.245 33.842 7.578 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.326 32.074 7.397 1.00 0.00 H new ATOM 351 N SER A 23 12.817 33.583 12.788 1.00 0.00 N ATOM 352 CA SER A 23 13.528 33.531 14.055 1.00 0.00 C ATOM 353 C SER A 23 12.558 33.265 15.209 1.00 0.00 C ATOM 354 O SER A 23 12.862 32.502 16.117 1.00 0.00 O ATOM 355 CB SER A 23 14.269 34.850 14.282 1.00 0.00 C ATOM 356 OG SER A 23 15.161 35.075 13.197 1.00 0.00 O ATOM 0 H SER A 23 12.945 34.449 12.265 1.00 0.00 H new ATOM 0 HA SER A 23 14.248 32.714 14.020 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.558 35.672 14.361 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.821 34.815 15.221 1.00 0.00 H new ATOM 0 HG SER A 23 14.746 35.688 12.554 1.00 0.00 H new ATOM 362 N GLY A 24 11.394 33.906 15.181 1.00 0.00 N ATOM 363 CA GLY A 24 10.410 33.722 16.252 1.00 0.00 C ATOM 364 C GLY A 24 9.760 32.337 16.218 1.00 0.00 C ATOM 365 O GLY A 24 9.455 31.770 17.267 1.00 0.00 O ATOM 0 H GLY A 24 11.108 34.549 14.442 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.896 33.868 17.217 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.637 34.485 16.166 1.00 0.00 H new ATOM 369 N ILE A 25 9.545 31.788 15.021 1.00 0.00 N ATOM 370 CA ILE A 25 8.925 30.466 14.916 1.00 0.00 C ATOM 371 C ILE A 25 9.862 29.405 15.473 1.00 0.00 C ATOM 372 O ILE A 25 9.422 28.444 16.098 1.00 0.00 O ATOM 373 CB ILE A 25 8.594 30.135 13.457 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.528 31.101 12.919 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.072 28.699 13.364 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.295 31.085 13.824 1.00 0.00 C ATOM 0 H ILE A 25 9.784 32.225 14.131 1.00 0.00 H new ATOM 0 HA ILE A 25 8.001 30.478 15.493 1.00 0.00 H new ATOM 0 HB ILE A 25 9.499 30.238 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.936 32.111 12.865 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.247 30.816 11.905 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.837 28.464 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.834 28.010 13.728 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.173 28.599 13.972 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.547 31.774 13.432 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.880 30.078 13.855 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.579 31.392 14.831 1.00 0.00 H new ATOM 388 N LEU A 26 11.159 29.592 15.261 1.00 0.00 N ATOM 389 CA LEU A 26 12.142 28.646 15.774 1.00 0.00 C ATOM 390 C LEU A 26 12.442 28.975 17.233 1.00 0.00 C ATOM 391 O LEU A 26 12.912 28.130 17.994 1.00 0.00 O ATOM 392 CB LEU A 26 13.419 28.710 14.933 1.00 0.00 C ATOM 393 CG LEU A 26 14.374 29.748 15.522 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.150 29.140 16.696 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.360 30.203 14.443 1.00 0.00 C ATOM 0 H LEU A 26 11.551 30.379 14.744 1.00 0.00 H new ATOM 0 HA LEU A 26 11.744 27.633 15.713 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.900 27.732 14.910 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.175 28.970 13.903 1.00 0.00 H new ATOM 0 HG LEU A 26 13.798 30.602 15.878 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.828 29.887 17.110 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.450 28.819 17.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.724 28.282 16.347 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.042 30.943 14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.930 29.345 14.086 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.811 30.645 13.611 1.00 0.00 H new ATOM 407 N GLU A 27 12.142 30.216 17.613 1.00 0.00 N ATOM 408 CA GLU A 27 12.356 30.669 18.982 1.00 0.00 C ATOM 409 C GLU A 27 11.331 30.018 19.903 1.00 0.00 C ATOM 410 O GLU A 27 11.634 29.668 21.044 1.00 0.00 O ATOM 411 CB GLU A 27 12.219 32.195 19.056 1.00 0.00 C ATOM 412 CG GLU A 27 12.679 32.687 20.426 1.00 0.00 C ATOM 413 CD GLU A 27 12.447 34.189 20.547 1.00 0.00 C ATOM 414 OE1 GLU A 27 12.567 34.869 19.540 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 12.169 34.639 21.645 1.00 0.00 O ATOM 0 H GLU A 27 11.751 30.923 16.991 1.00 0.00 H new ATOM 0 HA GLU A 27 13.360 30.385 19.298 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.815 32.662 18.272 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.183 32.486 18.884 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.135 32.162 21.211 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.736 32.462 20.566 1.00 0.00 H new ATOM 422 N ASN A 28 10.119 29.847 19.385 1.00 0.00 N ATOM 423 CA ASN A 28 9.050 29.222 20.151 1.00 0.00 C ATOM 424 C ASN A 28 9.004 27.723 19.847 1.00 0.00 C ATOM 425 O ASN A 28 9.439 27.283 18.782 1.00 0.00 O ATOM 426 CB ASN A 28 7.711 29.893 19.820 1.00 0.00 C ATOM 427 CG ASN A 28 7.286 29.574 18.391 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.004 28.892 17.667 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.155 30.043 17.936 1.00 0.00 N ATOM 0 H ASN A 28 9.855 30.132 18.442 1.00 0.00 H new ATOM 0 HA ASN A 28 9.241 29.350 21.216 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.946 29.552 20.517 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.799 30.972 19.946 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.868 29.842 16.978 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.559 30.610 18.539 1.00 0.00 H new ATOM 436 N GLU A 29 8.502 26.938 20.794 1.00 0.00 N ATOM 437 CA GLU A 29 8.435 25.487 20.617 1.00 0.00 C ATOM 438 C GLU A 29 7.535 25.107 19.450 1.00 0.00 C ATOM 439 O GLU A 29 7.680 24.035 18.864 1.00 0.00 O ATOM 440 CB GLU A 29 7.906 24.826 21.884 1.00 0.00 C ATOM 441 CG GLU A 29 8.015 23.309 21.733 1.00 0.00 C ATOM 442 CD GLU A 29 7.428 22.617 22.955 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.813 23.298 23.758 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.609 21.416 23.075 1.00 0.00 O1- ATOM 0 H GLU A 29 8.138 27.275 21.685 1.00 0.00 H new ATOM 0 HA GLU A 29 9.446 25.138 20.407 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.477 25.161 22.750 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.869 25.114 22.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.488 22.987 20.835 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.059 23.022 21.610 1.00 0.00 H new ATOM 451 N GLN A 30 6.598 25.982 19.130 1.00 0.00 N ATOM 452 CA GLN A 30 5.668 25.726 18.041 1.00 0.00 C ATOM 453 C GLN A 30 6.409 25.293 16.781 1.00 0.00 C ATOM 454 O GLN A 30 5.822 24.682 15.889 1.00 0.00 O ATOM 455 CB GLN A 30 4.872 26.992 17.749 1.00 0.00 C ATOM 456 CG GLN A 30 4.001 27.336 18.957 1.00 0.00 C ATOM 457 CD GLN A 30 3.325 28.682 18.733 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.644 29.382 17.772 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.412 29.089 19.568 1.00 0.00 N ATOM 0 H GLN A 30 6.460 26.874 19.606 1.00 0.00 H new ATOM 0 HA GLN A 30 4.997 24.921 18.341 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.549 27.817 17.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.248 26.847 16.867 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.250 26.561 19.109 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.611 27.370 19.860 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.151 28.505 20.363 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.958 29.991 19.427 1.00 0.00 H new ATOM 468 N LYS A 31 7.694 25.628 16.708 1.00 0.00 N ATOM 469 CA LYS A 31 8.494 25.281 15.541 1.00 0.00 C ATOM 470 C LYS A 31 8.387 23.789 15.240 1.00 0.00 C ATOM 471 O LYS A 31 8.614 23.359 14.107 1.00 0.00 O ATOM 472 CB LYS A 31 9.959 25.708 15.756 1.00 0.00 C ATOM 473 CG LYS A 31 10.869 24.511 16.073 1.00 0.00 C ATOM 474 CD LYS A 31 10.560 23.985 17.478 1.00 0.00 C ATOM 475 CE LYS A 31 11.137 22.575 17.637 1.00 0.00 C ATOM 476 NZ LYS A 31 12.090 22.297 16.527 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.198 26.134 17.436 1.00 0.00 H new ATOM 0 HA LYS A 31 8.108 25.820 14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.324 26.213 14.862 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.010 26.428 16.573 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.717 23.721 15.337 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.915 24.810 16.008 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.987 24.650 18.228 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.483 23.969 17.642 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.645 22.485 18.597 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.333 21.839 17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.593 21.407 16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.566 22.215 15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.777 23.075 16.456 1.00 0.00 H new ATOM 490 N ASP A 32 8.026 22.999 16.244 1.00 0.00 N ATOM 491 CA ASP A 32 7.884 21.564 16.038 1.00 0.00 C ATOM 492 C ASP A 32 6.830 21.297 14.970 1.00 0.00 C ATOM 493 O ASP A 32 6.967 20.381 14.159 1.00 0.00 O ATOM 494 CB ASP A 32 7.493 20.867 17.343 1.00 0.00 C ATOM 495 CG ASP A 32 7.579 19.356 17.163 1.00 0.00 C ATOM 496 OD1 ASP A 32 7.476 18.909 16.033 1.00 0.00 O ATOM 497 OD2 ASP A 32 7.753 18.670 18.156 1.00 0.00 O1- ATOM 0 H ASP A 32 7.830 23.320 17.192 1.00 0.00 H new ATOM 0 HA ASP A 32 8.842 21.164 15.707 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.154 21.185 18.149 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.481 21.152 17.630 1.00 0.00 H new ATOM 502 N LEU A 33 5.786 22.119 14.960 1.00 0.00 N ATOM 503 CA LEU A 33 4.725 21.975 13.972 1.00 0.00 C ATOM 504 C LEU A 33 5.269 22.259 12.575 1.00 0.00 C ATOM 505 O LEU A 33 4.814 21.678 11.590 1.00 0.00 O ATOM 506 CB LEU A 33 3.572 22.933 14.284 1.00 0.00 C ATOM 507 CG LEU A 33 2.784 22.405 15.491 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.518 22.767 16.785 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.377 23.021 15.519 1.00 0.00 C ATOM 0 H LEU A 33 5.653 22.886 15.619 1.00 0.00 H new ATOM 0 HA LEU A 33 4.352 20.951 14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.960 23.929 14.496 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.916 23.024 13.419 1.00 0.00 H new ATOM 0 HG LEU A 33 2.699 21.322 15.406 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.956 22.391 17.640 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.511 22.318 16.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.610 23.850 16.860 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.829 22.638 16.380 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.456 24.106 15.593 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.846 22.757 14.604 1.00 0.00 H new ATOM 521 N VAL A 34 6.246 23.160 12.501 1.00 0.00 N ATOM 522 CA VAL A 34 6.847 23.516 11.222 1.00 0.00 C ATOM 523 C VAL A 34 7.553 22.308 10.613 1.00 0.00 C ATOM 524 O VAL A 34 7.407 22.025 9.423 1.00 0.00 O ATOM 525 CB VAL A 34 7.831 24.678 11.417 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.279 24.183 11.336 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.594 25.724 10.327 1.00 0.00 C ATOM 0 H VAL A 34 6.634 23.652 13.305 1.00 0.00 H new ATOM 0 HA VAL A 34 6.062 23.833 10.535 1.00 0.00 H new ATOM 0 HB VAL A 34 7.667 25.115 12.402 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.959 25.023 11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.454 23.440 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.456 23.733 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.290 26.552 10.460 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.751 25.271 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.571 26.095 10.395 1.00 0.00 H new ATOM 537 N ALA A 35 8.304 21.593 11.442 1.00 0.00 N ATOM 538 CA ALA A 35 9.009 20.409 10.977 1.00 0.00 C ATOM 539 C ALA A 35 7.989 19.398 10.481 1.00 0.00 C ATOM 540 O ALA A 35 8.181 18.746 9.454 1.00 0.00 O ATOM 541 CB ALA A 35 9.824 19.804 12.120 1.00 0.00 C ATOM 0 H ALA A 35 8.439 21.811 12.429 1.00 0.00 H new ATOM 0 HA ALA A 35 9.689 20.679 10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.349 18.918 11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.549 20.536 12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.156 19.527 12.936 1.00 0.00 H new ATOM 689 N ASN A 45 11.847 26.808 8.354 1.00 0.00 N ATOM 690 CA ASN A 45 10.477 27.290 8.478 1.00 0.00 C ATOM 691 C ASN A 45 9.800 27.362 7.120 1.00 0.00 C ATOM 692 O ASN A 45 8.938 28.210 6.889 1.00 0.00 O ATOM 693 CB ASN A 45 10.479 28.670 9.126 1.00 0.00 C ATOM 694 CG ASN A 45 11.025 28.562 10.543 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.308 29.573 11.189 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.183 27.383 11.074 1.00 0.00 N ATOM 0 HA ASN A 45 9.920 26.591 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.089 29.358 8.541 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.468 29.077 9.144 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.541 27.296 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.949 26.547 10.539 1.00 0.00 H new ATOM 703 N GLN A 46 10.192 26.472 6.222 1.00 0.00 N ATOM 704 CA GLN A 46 9.601 26.454 4.895 1.00 0.00 C ATOM 705 C GLN A 46 9.759 27.822 4.241 1.00 0.00 C ATOM 706 O GLN A 46 8.798 28.379 3.708 1.00 0.00 O ATOM 707 CB GLN A 46 8.108 26.105 4.981 1.00 0.00 C ATOM 708 CG GLN A 46 7.765 25.451 6.330 1.00 0.00 C ATOM 709 CD GLN A 46 6.987 26.435 7.194 1.00 0.00 C ATOM 710 OE1 GLN A 46 7.553 27.050 8.097 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.718 26.626 6.966 1.00 0.00 N ATOM 0 H GLN A 46 10.907 25.762 6.385 1.00 0.00 H new ATOM 0 HA GLN A 46 10.112 25.699 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.513 27.009 4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.843 25.429 4.168 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.175 24.549 6.168 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.679 25.147 6.841 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.252 26.115 6.217 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.191 27.287 7.537 1.00 0.00 H new ATOM 720 N LEU A 47 10.965 28.370 4.310 1.00 0.00 N ATOM 721 CA LEU A 47 11.226 29.687 3.747 1.00 0.00 C ATOM 722 C LEU A 47 10.353 29.948 2.518 1.00 0.00 C ATOM 723 O LEU A 47 9.667 30.967 2.447 1.00 0.00 O ATOM 724 CB LEU A 47 12.706 29.823 3.368 1.00 0.00 C ATOM 725 CG LEU A 47 13.469 30.494 4.517 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.947 30.103 4.450 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.343 32.016 4.399 1.00 0.00 C ATOM 0 H LEU A 47 11.773 27.926 4.747 1.00 0.00 H new ATOM 0 HA LEU A 47 10.979 30.427 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.131 28.841 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.806 30.413 2.457 1.00 0.00 H new ATOM 0 HG LEU A 47 13.047 30.166 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.487 30.581 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.041 29.021 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.367 30.429 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.886 32.490 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.762 32.343 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.292 32.299 4.449 1.00 0.00 H new ATOM 739 N ASP A 48 10.402 29.042 1.547 1.00 0.00 N ATOM 740 CA ASP A 48 9.633 29.208 0.311 1.00 0.00 C ATOM 741 C ASP A 48 8.125 29.311 0.576 1.00 0.00 C ATOM 742 O ASP A 48 7.470 30.260 0.128 1.00 0.00 O ATOM 743 CB ASP A 48 9.904 28.019 -0.613 1.00 0.00 C ATOM 744 CG ASP A 48 11.364 28.027 -1.055 1.00 0.00 C ATOM 745 OD1 ASP A 48 12.019 29.032 -0.841 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.805 27.027 -1.598 1.00 0.00 O ATOM 0 H ASP A 48 10.961 28.190 1.587 1.00 0.00 H new ATOM 0 HA ASP A 48 9.951 30.140 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.677 27.087 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.251 28.068 -1.484 1.00 0.00 H new ATOM 751 N LEU A 49 7.572 28.346 1.304 1.00 0.00 N ATOM 752 CA LEU A 49 6.141 28.367 1.601 1.00 0.00 C ATOM 753 C LEU A 49 5.798 29.513 2.538 1.00 0.00 C ATOM 754 O LEU A 49 4.774 30.175 2.376 1.00 0.00 O ATOM 755 CB LEU A 49 5.701 27.051 2.239 1.00 0.00 C ATOM 756 CG LEU A 49 5.574 25.965 1.171 1.00 0.00 C ATOM 757 CD1 LEU A 49 6.914 25.252 1.001 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.508 24.959 1.609 1.00 0.00 C ATOM 0 H LEU A 49 8.081 27.552 1.694 1.00 0.00 H new ATOM 0 HA LEU A 49 5.613 28.505 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.424 26.745 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.746 27.186 2.747 1.00 0.00 H new ATOM 0 HG LEU A 49 5.287 26.415 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.820 24.478 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.673 25.972 0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.206 24.796 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.410 24.180 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.800 24.509 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.553 25.470 1.729 1.00 0.00 H new ATOM 770 N LEU A 50 6.645 29.723 3.533 1.00 0.00 N ATOM 771 CA LEU A 50 6.399 30.773 4.506 1.00 0.00 C ATOM 772 C LEU A 50 6.274 32.118 3.802 1.00 0.00 C ATOM 773 O LEU A 50 5.390 32.914 4.119 1.00 0.00 O ATOM 774 CB LEU A 50 7.560 30.822 5.502 1.00 0.00 C ATOM 775 CG LEU A 50 7.210 31.724 6.688 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.295 31.587 7.752 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.142 33.185 6.242 1.00 0.00 C ATOM 0 H LEU A 50 7.499 29.187 3.687 1.00 0.00 H new ATOM 0 HA LEU A 50 5.470 30.562 5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.786 29.816 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.457 31.194 5.007 1.00 0.00 H new ATOM 0 HG LEU A 50 6.241 31.425 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.054 32.226 8.601 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.351 30.550 8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.256 31.887 7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.892 33.815 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.108 33.488 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.377 33.296 5.473 1.00 0.00 H new ATOM 789 N HIS A 51 7.158 32.370 2.842 1.00 0.00 N ATOM 790 CA HIS A 51 7.125 33.626 2.110 1.00 0.00 C ATOM 791 C HIS A 51 5.787 33.824 1.404 1.00 0.00 C ATOM 792 O HIS A 51 5.189 34.897 1.500 1.00 0.00 O ATOM 793 CB HIS A 51 8.247 33.673 1.075 1.00 0.00 C ATOM 794 CG HIS A 51 9.567 33.869 1.760 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.668 34.390 1.098 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.985 33.616 3.042 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.684 34.435 1.978 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.323 33.975 3.176 1.00 0.00 N ATOM 0 H HIS A 51 7.897 31.728 2.557 1.00 0.00 H new ATOM 0 HA HIS A 51 7.261 34.427 2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.261 32.748 0.499 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.069 34.485 0.370 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.701 34.685 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.370 33.202 3.827 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.673 34.800 1.743 1.00 0.00 H new ATOM 807 N LYS A 52 5.313 32.797 0.695 1.00 0.00 N ATOM 808 CA LYS A 52 4.037 32.923 -0.011 1.00 0.00 C ATOM 809 C LYS A 52 2.923 33.255 0.972 1.00 0.00 C ATOM 810 O LYS A 52 2.123 34.159 0.737 1.00 0.00 O ATOM 811 CB LYS A 52 3.692 31.621 -0.739 1.00 0.00 C ATOM 812 CG LYS A 52 4.662 31.401 -1.899 1.00 0.00 C ATOM 813 CD LYS A 52 4.168 30.234 -2.755 1.00 0.00 C ATOM 814 CE LYS A 52 5.306 29.751 -3.651 1.00 0.00 C ATOM 815 NZ LYS A 52 6.409 29.230 -2.800 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.777 31.894 0.595 1.00 0.00 H new ATOM 0 HA LYS A 52 4.132 33.727 -0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.744 30.782 -0.046 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.669 31.663 -1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.735 32.305 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.661 31.190 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.821 29.421 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.319 30.547 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.950 28.971 -4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.667 30.569 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.928 28.492 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.058 30.006 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.013 28.827 -1.927 1.00 0.00 H new ATOM 829 N TRP A 53 2.884 32.523 2.077 1.00 0.00 N ATOM 830 CA TRP A 53 1.869 32.750 3.100 1.00 0.00 C ATOM 831 C TRP A 53 1.944 34.188 3.601 1.00 0.00 C ATOM 832 O TRP A 53 0.947 34.913 3.628 1.00 0.00 O ATOM 833 CB TRP A 53 2.127 31.790 4.261 1.00 0.00 C ATOM 834 CG TRP A 53 0.948 31.745 5.182 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.048 30.834 5.121 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.633 32.620 6.306 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.948 31.083 6.144 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.574 32.175 6.897 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.271 33.740 6.865 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.128 32.816 8.002 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.713 34.391 7.979 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.487 33.928 8.547 1.00 0.00 C ATOM 0 H TRP A 53 3.539 31.770 2.289 1.00 0.00 H new ATOM 0 HA TRP A 53 0.878 32.577 2.680 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.332 30.791 3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.013 32.107 4.811 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.129 30.041 4.393 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.785 30.527 6.319 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.194 34.102 6.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.049 32.454 8.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.209 35.252 8.401 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.911 34.432 9.403 1.00 0.00 H new ATOM 853 N LEU A 54 3.142 34.587 4.002 1.00 0.00 N ATOM 854 CA LEU A 54 3.349 35.930 4.513 1.00 0.00 C ATOM 855 C LEU A 54 2.865 36.951 3.488 1.00 0.00 C ATOM 856 O LEU A 54 2.093 37.855 3.817 1.00 0.00 O ATOM 857 CB LEU A 54 4.835 36.151 4.806 1.00 0.00 C ATOM 858 CG LEU A 54 5.016 37.465 5.569 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.554 37.292 7.017 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.493 37.869 5.551 1.00 0.00 C ATOM 0 H LEU A 54 3.979 34.004 3.983 1.00 0.00 H new ATOM 0 HA LEU A 54 2.782 36.054 5.436 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.228 35.321 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.400 36.179 3.874 1.00 0.00 H new ATOM 0 HG LEU A 54 4.419 38.242 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.685 38.231 7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.501 37.009 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.146 36.513 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.621 38.805 6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.089 37.089 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.822 38.000 4.520 1.00 0.00 H new ATOM 872 N ASP A 55 3.317 36.803 2.247 1.00 0.00 N ATOM 873 CA ASP A 55 2.924 37.722 1.186 1.00 0.00 C ATOM 874 C ASP A 55 1.404 37.794 1.019 1.00 0.00 C ATOM 875 O ASP A 55 0.849 38.881 0.862 1.00 0.00 O ATOM 876 CB ASP A 55 3.572 37.301 -0.135 1.00 0.00 C ATOM 877 CG ASP A 55 5.067 37.602 -0.094 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.473 38.368 0.764 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.784 37.066 -0.924 1.00 0.00 O ATOM 0 H ASP A 55 3.952 36.061 1.953 1.00 0.00 H new ATOM 0 HA ASP A 55 3.271 38.716 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.410 36.237 -0.308 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.107 37.833 -0.965 1.00 0.00 H new ATOM 884 N ARG A 56 0.729 36.645 1.054 1.00 0.00 N ATOM 885 CA ARG A 56 -0.727 36.621 0.896 1.00 0.00 C ATOM 886 C ARG A 56 -1.418 37.438 1.984 1.00 0.00 C ATOM 887 O ARG A 56 -2.477 38.018 1.746 1.00 0.00 O ATOM 888 CB ARG A 56 -1.244 35.176 0.942 1.00 0.00 C ATOM 889 CG ARG A 56 -2.764 35.146 0.713 1.00 0.00 C ATOM 890 CD ARG A 56 -3.073 35.217 -0.785 1.00 0.00 C ATOM 891 NE ARG A 56 -4.512 35.095 -1.008 1.00 0.00 N ATOM 892 CZ ARG A 56 -5.091 33.898 -1.125 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.371 32.814 -1.051 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.381 33.808 -1.316 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.159 35.730 1.188 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.960 37.064 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.743 34.579 0.180 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.006 34.728 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.185 34.234 1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.234 35.983 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.713 36.161 -1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.547 34.420 -1.311 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.083 35.938 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.364 32.880 -0.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.815 31.900 -1.141 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.948 34.654 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.821 32.892 -1.405 1.00 0.00 H new ATOM 908 N HIS A 57 -0.835 37.476 3.180 1.00 0.00 N ATOM 909 CA HIS A 57 -1.450 38.227 4.271 1.00 0.00 C ATOM 910 C HIS A 57 -0.548 39.358 4.755 1.00 0.00 C ATOM 911 O HIS A 57 -0.678 39.807 5.888 1.00 0.00 O ATOM 912 CB HIS A 57 -1.779 37.292 5.436 1.00 0.00 C ATOM 913 CG HIS A 57 -2.534 36.105 4.906 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.896 36.148 4.640 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.125 34.844 4.553 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.251 34.948 4.146 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.208 34.116 4.072 1.00 0.00 N ATOM 0 H HIS A 57 0.040 37.008 3.415 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.369 38.670 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.863 36.967 5.929 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.375 37.816 6.183 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.114 34.473 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.256 34.689 3.846 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.206 33.153 3.735 1.00 0.00 H new ATOM 926 N ARG A 58 0.354 39.822 3.894 1.00 0.00 N ATOM 927 CA ARG A 58 1.256 40.914 4.257 1.00 0.00 C ATOM 928 C ARG A 58 0.474 42.131 4.749 1.00 0.00 C ATOM 929 O ARG A 58 0.915 42.851 5.645 1.00 0.00 O ATOM 930 CB ARG A 58 2.087 41.319 3.048 1.00 0.00 C ATOM 931 CG ARG A 58 1.166 41.859 1.954 1.00 0.00 C ATOM 932 CD ARG A 58 1.962 41.989 0.661 1.00 0.00 C ATOM 933 NE ARG A 58 3.280 42.558 0.944 1.00 0.00 N ATOM 934 CZ ARG A 58 4.029 43.080 -0.016 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.591 43.113 -1.247 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.203 43.567 0.276 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.480 39.463 2.948 1.00 0.00 H new ATOM 0 HA ARG A 58 1.905 40.562 5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.816 42.078 3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.648 40.462 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.319 41.189 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.760 42.828 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.071 41.012 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.426 42.624 -0.044 1.00 0.00 H new ATOM 0 HE ARG A 58 3.630 42.553 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.670 42.736 -1.471 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.170 43.516 -1.984 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.539 43.544 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.785 43.970 -0.458 1.00 0.00 H new ATOM 950 N ASP A 59 -0.691 42.341 4.152 1.00 0.00 N ATOM 951 CA ASP A 59 -1.543 43.465 4.525 1.00 0.00 C ATOM 952 C ASP A 59 -1.885 43.395 6.003 1.00 0.00 C ATOM 953 O ASP A 59 -2.060 44.421 6.664 1.00 0.00 O ATOM 954 CB ASP A 59 -2.830 43.453 3.705 1.00 0.00 C ATOM 955 CG ASP A 59 -2.526 43.807 2.255 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.366 44.023 1.952 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -3.454 43.852 1.468 1.00 0.00 O ATOM 0 H ASP A 59 -1.068 41.751 3.410 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.000 44.388 4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.296 42.469 3.758 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.543 44.166 4.120 1.00 0.00 H new ATOM 962 N MET A 60 -1.987 42.176 6.509 1.00 0.00 N ATOM 963 CA MET A 60 -2.318 41.959 7.908 1.00 0.00 C ATOM 964 C MET A 60 -1.305 42.650 8.814 1.00 0.00 C ATOM 965 O MET A 60 -1.619 43.022 9.939 1.00 0.00 O ATOM 966 CB MET A 60 -2.318 40.463 8.213 1.00 0.00 C ATOM 967 CG MET A 60 -0.884 39.992 8.478 1.00 0.00 C ATOM 968 SD MET A 60 -0.785 38.206 8.184 1.00 0.00 S ATOM 969 CE MET A 60 1.005 38.095 7.928 1.00 0.00 C ATOM 0 H MET A 60 -1.845 41.321 5.971 1.00 0.00 H new ATOM 0 HA MET A 60 -3.307 42.377 8.095 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.945 40.259 9.081 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.744 39.911 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.188 40.520 7.826 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.596 40.221 9.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.271 37.073 7.659 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.300 38.771 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.522 38.375 8.846 1.00 0.00 H new ATOM 979 N CYS A 61 -0.084 42.803 8.314 1.00 0.00 N ATOM 980 CA CYS A 61 0.990 43.426 9.085 1.00 0.00 C ATOM 981 C CYS A 61 0.650 44.862 9.482 1.00 0.00 C ATOM 982 O CYS A 61 1.145 45.366 10.490 1.00 0.00 O ATOM 983 CB CYS A 61 2.276 43.438 8.257 1.00 0.00 C ATOM 984 SG CYS A 61 2.223 44.813 7.079 1.00 0.00 S ATOM 0 H CYS A 61 0.189 42.505 7.378 1.00 0.00 H new ATOM 0 HA CYS A 61 1.121 42.840 9.995 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.142 43.539 8.912 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.387 42.493 7.725 1.00 0.00 H new ATOM 0 HG CYS A 61 1.540 44.460 6.031 1.00 0.00 H new ATOM 990 N GLU A 62 -0.168 45.523 8.678 1.00 0.00 N ATOM 991 CA GLU A 62 -0.533 46.910 8.949 1.00 0.00 C ATOM 992 C GLU A 62 -1.507 47.024 10.126 1.00 0.00 C ATOM 993 O GLU A 62 -1.754 48.124 10.622 1.00 0.00 O ATOM 994 CB GLU A 62 -1.161 47.533 7.696 1.00 0.00 C ATOM 995 CG GLU A 62 -0.156 47.474 6.542 1.00 0.00 C ATOM 996 CD GLU A 62 -0.765 48.081 5.282 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.948 48.374 5.301 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.041 48.242 4.316 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.590 45.128 7.838 1.00 0.00 H new ATOM 0 HA GLU A 62 0.377 47.447 9.217 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.072 46.998 7.428 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.445 48.567 7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.752 48.014 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.132 46.440 6.354 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.072 45.900 10.564 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.028 45.915 11.673 1.00 0.00 C ATOM 1007 C LYS A 63 -2.339 45.827 13.035 1.00 0.00 C ATOM 1008 O LYS A 63 -2.970 45.460 14.026 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.003 44.745 11.533 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.876 44.956 10.293 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.960 43.876 10.226 1.00 0.00 C ATOM 1012 CE LYS A 63 -7.104 44.226 11.184 1.00 0.00 C ATOM 1013 NZ LYS A 63 -8.161 44.976 10.450 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.888 44.976 10.174 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.560 46.865 11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.453 43.807 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.628 44.670 12.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.336 45.943 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.260 44.921 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.340 43.792 9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.537 42.907 10.490 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.522 43.316 11.614 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.727 44.826 12.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.936 45.212 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.758 45.852 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.528 44.389 9.674 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.067 46.188 13.098 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.356 46.156 14.373 1.00 0.00 C ATOM 1029 C TRP A 64 1.011 46.819 14.271 1.00 0.00 C ATOM 1030 O TRP A 64 1.448 47.476 15.212 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.184 44.717 14.863 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.585 43.768 13.788 1.00 0.00 C ATOM 1033 CD1 TRP A 64 0.055 43.621 12.611 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.694 42.831 13.772 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.595 42.656 11.867 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.679 42.139 12.538 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.704 42.520 14.694 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.631 41.169 12.232 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.665 41.542 14.390 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.629 40.872 13.159 1.00 0.00 C ATOM 0 H TRP A 64 -0.512 46.501 12.301 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.960 46.714 15.089 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.853 44.541 15.148 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.791 44.551 15.753 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.933 44.168 12.300 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.307 42.362 10.934 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.743 43.035 15.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.596 40.652 11.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.436 41.305 15.108 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.375 40.125 12.929 1.00 0.00 H new ATOM 1051 N LYS A 65 1.694 46.622 13.147 1.00 0.00 N ATOM 1052 CA LYS A 65 3.027 47.194 12.974 1.00 0.00 C ATOM 1053 C LYS A 65 3.998 46.527 13.939 1.00 0.00 C ATOM 1054 O LYS A 65 5.193 46.417 13.664 1.00 0.00 O ATOM 1055 CB LYS A 65 3.002 48.701 13.240 1.00 0.00 C ATOM 1056 CG LYS A 65 4.364 49.309 12.903 1.00 0.00 C ATOM 1057 CD LYS A 65 4.345 50.796 13.268 1.00 0.00 C ATOM 1058 CE LYS A 65 5.733 51.403 13.048 1.00 0.00 C ATOM 1059 NZ LYS A 65 5.678 52.370 11.916 1.00 0.00 N1+ ATOM 0 H LYS A 65 1.354 46.079 12.353 1.00 0.00 H new ATOM 0 HA LYS A 65 3.350 47.022 11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.224 49.173 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.757 48.891 14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.153 48.796 13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.581 49.184 11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.608 51.320 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.045 50.920 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.069 51.906 13.954 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.456 50.616 12.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.621 52.783 11.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.375 51.876 11.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.000 53.127 12.138 1.00 0.00 H new ATOM 1073 N SER A 66 3.469 46.077 15.074 1.00 0.00 N ATOM 1074 CA SER A 66 4.289 45.418 16.075 1.00 0.00 C ATOM 1075 C SER A 66 4.461 43.952 15.711 1.00 0.00 C ATOM 1076 O SER A 66 3.490 43.259 15.394 1.00 0.00 O ATOM 1077 CB SER A 66 3.623 45.524 17.443 1.00 0.00 C ATOM 1078 OG SER A 66 2.619 44.524 17.550 1.00 0.00 O ATOM 0 H SER A 66 2.482 46.158 15.318 1.00 0.00 H new ATOM 0 HA SER A 66 5.265 45.902 16.110 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.364 45.399 18.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.184 46.513 17.572 1.00 0.00 H new ATOM 0 HG SER A 66 2.495 44.091 16.680 1.00 0.00 H new ATOM 1084 N LYS A 67 5.699 43.487 15.739 1.00 0.00 N ATOM 1085 CA LYS A 67 5.977 42.107 15.391 1.00 0.00 C ATOM 1086 C LYS A 67 5.389 41.147 16.421 1.00 0.00 C ATOM 1087 O LYS A 67 4.892 40.084 16.063 1.00 0.00 O ATOM 1088 CB LYS A 67 7.489 41.884 15.268 1.00 0.00 C ATOM 1089 CG LYS A 67 8.154 42.052 16.635 1.00 0.00 C ATOM 1090 CD LYS A 67 9.669 41.880 16.487 1.00 0.00 C ATOM 1091 CE LYS A 67 10.010 40.392 16.387 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.749 39.968 17.609 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.518 44.039 15.996 1.00 0.00 H new ATOM 0 HA LYS A 67 5.506 41.903 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.687 40.886 14.878 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.913 42.594 14.558 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.927 43.036 17.044 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.760 41.317 17.336 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.019 42.404 15.598 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.181 42.324 17.341 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.098 39.805 16.279 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.615 40.206 15.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.981 38.956 17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.627 40.519 17.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.156 40.132 18.448 1.00 0.00 H new ATOM 1106 N GLU A 68 5.455 41.506 17.699 1.00 0.00 N ATOM 1107 CA GLU A 68 4.937 40.622 18.736 1.00 0.00 C ATOM 1108 C GLU A 68 3.449 40.348 18.526 1.00 0.00 C ATOM 1109 O GLU A 68 2.994 39.217 18.702 1.00 0.00 O ATOM 1110 CB GLU A 68 5.175 41.236 20.120 1.00 0.00 C ATOM 1111 CG GLU A 68 6.669 41.529 20.286 1.00 0.00 C ATOM 1112 CD GLU A 68 6.988 41.845 21.743 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.062 41.904 22.534 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.158 42.021 22.049 1.00 0.00 O1- ATOM 0 H GLU A 68 5.853 42.383 18.036 1.00 0.00 H new ATOM 0 HA GLU A 68 5.469 39.673 18.674 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.597 42.154 20.229 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.837 40.552 20.898 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.254 40.670 19.957 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.954 42.370 19.654 1.00 0.00 H new ATOM 1121 N ASP A 69 2.693 41.369 18.129 1.00 0.00 N ATOM 1122 CA ASP A 69 1.266 41.183 17.885 1.00 0.00 C ATOM 1123 C ASP A 69 1.062 40.220 16.722 1.00 0.00 C ATOM 1124 O ASP A 69 0.295 39.261 16.819 1.00 0.00 O ATOM 1125 CB ASP A 69 0.605 42.525 17.557 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.914 42.403 17.652 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.395 41.285 17.755 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.574 43.428 17.623 1.00 0.00 O ATOM 0 H ASP A 69 3.037 42.316 17.972 1.00 0.00 H new ATOM 0 HA ASP A 69 0.809 40.771 18.784 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.959 43.291 18.247 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.889 42.843 16.554 1.00 0.00 H new ATOM 1133 N ILE A 70 1.754 40.489 15.618 1.00 0.00 N ATOM 1134 CA ILE A 70 1.643 39.646 14.432 1.00 0.00 C ATOM 1135 C ILE A 70 2.012 38.204 14.747 1.00 0.00 C ATOM 1136 O ILE A 70 1.350 37.275 14.294 1.00 0.00 O ATOM 1137 CB ILE A 70 2.561 40.153 13.322 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.131 41.552 12.889 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.461 39.207 12.126 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.233 42.180 12.033 1.00 0.00 C ATOM 0 H ILE A 70 2.393 41.278 15.520 1.00 0.00 H new ATOM 0 HA ILE A 70 0.605 39.689 14.102 1.00 0.00 H new ATOM 0 HB ILE A 70 3.587 40.190 13.689 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.201 41.500 12.323 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.937 42.172 13.764 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.113 39.560 11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.767 38.205 12.428 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.432 39.180 11.769 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.928 43.179 11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.153 42.246 12.615 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.405 41.563 11.151 1.00 0.00 H new ATOM 1152 N LEU A 71 3.076 38.017 15.518 1.00 0.00 N ATOM 1153 CA LEU A 71 3.514 36.675 15.867 1.00 0.00 C ATOM 1154 C LEU A 71 2.395 35.898 16.550 1.00 0.00 C ATOM 1155 O LEU A 71 2.186 34.719 16.270 1.00 0.00 O ATOM 1156 CB LEU A 71 4.718 36.734 16.809 1.00 0.00 C ATOM 1157 CG LEU A 71 5.968 37.195 16.059 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.158 37.173 17.017 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.243 36.252 14.888 1.00 0.00 C ATOM 0 H LEU A 71 3.644 38.769 15.909 1.00 0.00 H new ATOM 0 HA LEU A 71 3.793 36.169 14.943 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.509 37.417 17.632 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.892 35.751 17.247 1.00 0.00 H new ATOM 0 HG LEU A 71 5.815 38.205 15.679 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.055 37.500 16.491 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.963 37.843 17.854 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.306 36.160 17.390 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.135 36.583 14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.400 35.241 15.264 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.391 36.258 14.208 1.00 0.00 H new ATOM 1171 N HIS A 72 1.689 36.559 17.458 1.00 0.00 N ATOM 1172 CA HIS A 72 0.610 35.905 18.185 1.00 0.00 C ATOM 1173 C HIS A 72 -0.523 35.481 17.254 1.00 0.00 C ATOM 1174 O HIS A 72 -0.957 34.330 17.283 1.00 0.00 O ATOM 1175 CB HIS A 72 0.070 36.832 19.270 1.00 0.00 C ATOM 1176 CG HIS A 72 -1.012 36.123 20.028 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.313 36.056 19.560 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.002 35.432 21.212 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -3.027 35.348 20.451 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.276 34.943 21.479 1.00 0.00 N ATOM 0 H HIS A 72 1.842 37.536 17.707 1.00 0.00 H new ATOM 0 HA HIS A 72 1.020 35.006 18.645 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.872 37.126 19.947 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.321 37.746 18.823 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.136 35.289 21.842 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.080 35.132 20.349 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.573 34.394 22.286 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.992 36.408 16.425 1.00 0.00 N ATOM 1190 CA LYS A 73 -2.067 36.089 15.490 1.00 0.00 C ATOM 1191 C LYS A 73 -1.632 34.954 14.577 1.00 0.00 C ATOM 1192 O LYS A 73 -2.346 33.966 14.411 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.441 37.329 14.668 1.00 0.00 C ATOM 1194 CG LYS A 73 -3.388 38.220 15.484 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.836 38.420 16.901 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.799 39.294 17.709 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.646 40.717 17.294 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.653 37.369 16.380 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.947 35.772 16.050 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.543 37.885 14.400 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.920 37.029 13.736 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.505 39.185 14.992 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.377 37.764 15.532 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.706 37.455 17.391 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.853 38.889 16.856 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.826 38.966 17.549 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.594 39.191 18.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.527 41.233 17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.863 41.151 17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.441 40.761 16.275 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.454 35.101 13.989 1.00 0.00 N ATOM 1212 CA LEU A 74 0.068 34.075 13.100 1.00 0.00 C ATOM 1213 C LEU A 74 0.211 32.738 13.817 1.00 0.00 C ATOM 1214 O LEU A 74 -0.052 31.695 13.226 1.00 0.00 O ATOM 1215 CB LEU A 74 1.415 34.500 12.520 1.00 0.00 C ATOM 1216 CG LEU A 74 1.194 35.388 11.292 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.105 36.432 11.561 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.498 36.095 10.925 1.00 0.00 C ATOM 0 H LEU A 74 0.153 35.912 14.110 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.647 33.952 12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.991 35.040 13.272 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.996 33.620 12.244 1.00 0.00 H new ATOM 0 HG LEU A 74 0.872 34.755 10.465 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.033 37.050 10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.831 35.928 11.801 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.404 37.062 12.399 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.336 36.726 10.051 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.826 36.712 11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.264 35.352 10.700 1.00 0.00 H new ATOM 1230 N ASN A 75 0.624 32.760 15.081 1.00 0.00 N ATOM 1231 CA ASN A 75 0.779 31.513 15.821 1.00 0.00 C ATOM 1232 C ASN A 75 -0.528 30.736 15.788 1.00 0.00 C ATOM 1233 O ASN A 75 -0.547 29.533 15.524 1.00 0.00 O ATOM 1234 CB ASN A 75 1.148 31.792 17.279 1.00 0.00 C ATOM 1235 CG ASN A 75 2.475 32.537 17.369 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.220 32.604 16.391 1.00 0.00 O ATOM 1237 ND2 ASN A 75 2.817 33.101 18.495 1.00 0.00 N ATOM 0 H ASN A 75 0.852 33.606 15.604 1.00 0.00 H new ATOM 0 HA ASN A 75 1.576 30.934 15.355 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.362 32.382 17.751 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.215 30.853 17.828 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.704 33.599 18.567 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.197 33.043 19.303 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.626 31.442 16.057 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.942 30.816 16.056 1.00 0.00 C ATOM 1246 C GLU A 76 -3.346 30.409 14.643 1.00 0.00 C ATOM 1247 O GLU A 76 -3.915 29.338 14.436 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.986 31.779 16.623 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.638 32.135 18.070 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.786 32.925 18.694 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.551 33.509 17.944 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -4.879 32.935 19.910 1.00 0.00 O ATOM 0 H GLU A 76 -1.628 32.438 16.276 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.892 29.924 16.681 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.025 32.684 16.017 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.975 31.323 16.580 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.454 31.227 18.644 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.720 32.723 18.100 1.00 0.00 H new ATOM 1259 N GLN A 77 -3.040 31.260 13.667 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.374 30.945 12.281 1.00 0.00 C ATOM 1261 C GLN A 77 -2.519 29.783 11.798 1.00 0.00 C ATOM 1262 O GLN A 77 -3.001 28.886 11.107 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.134 32.155 11.373 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.185 33.238 11.632 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.968 34.408 10.675 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.195 34.296 9.724 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.603 35.533 10.869 1.00 0.00 N ATOM 0 H GLN A 77 -2.571 32.155 13.805 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.429 30.676 12.238 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.137 32.558 11.551 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.172 31.846 10.328 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.185 32.827 11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.119 33.583 12.664 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.244 35.628 11.657 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.458 36.317 10.233 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.248 29.802 12.177 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.328 28.742 11.789 1.00 0.00 C ATOM 1278 C TRP A 78 -0.896 27.383 12.197 1.00 0.00 C ATOM 1279 O TRP A 78 -0.839 26.421 11.433 1.00 0.00 O ATOM 1280 CB TRP A 78 1.026 28.964 12.469 1.00 0.00 C ATOM 1281 CG TRP A 78 2.124 28.365 11.650 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.271 27.048 11.387 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.238 29.042 10.997 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.404 26.873 10.614 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.032 28.073 10.346 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.631 30.389 10.906 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.176 28.425 9.630 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.784 30.749 10.185 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.555 29.766 9.549 1.00 0.00 C ATOM 0 H TRP A 78 -0.832 30.536 12.750 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.196 28.760 10.707 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.203 30.031 12.601 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.019 28.516 13.463 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.612 26.262 11.725 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.736 25.967 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.043 31.153 11.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.766 27.664 9.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.076 31.787 10.121 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.440 30.046 8.997 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.447 27.312 13.409 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.025 26.066 13.899 1.00 0.00 C ATOM 1302 C ASN A 79 -3.294 25.714 13.124 1.00 0.00 C ATOM 1303 O ASN A 79 -3.557 24.543 12.855 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.328 26.179 15.394 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.027 26.376 16.167 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.006 25.778 15.828 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.000 27.183 17.191 1.00 0.00 N ATOM 0 H ASN A 79 -1.504 28.094 14.061 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.301 25.266 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.001 27.016 15.576 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.836 25.280 15.741 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.133 27.319 17.711 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.846 27.679 17.472 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.069 26.731 12.751 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.293 26.494 11.990 1.00 0.00 C ATOM 1316 C LYS A 80 -4.957 26.399 10.508 1.00 0.00 C ATOM 1317 O LYS A 80 -5.813 26.081 9.681 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.299 27.627 12.221 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.610 27.729 13.716 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.807 28.659 13.944 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.435 30.099 13.570 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.067 30.408 14.074 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.876 27.711 12.959 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.741 25.559 12.326 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.892 28.570 11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.214 27.437 11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.827 26.739 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.739 28.107 14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.655 28.327 13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.118 28.615 14.988 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.472 30.226 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.157 30.795 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.836 31.400 13.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.033 30.254 15.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.376 29.786 13.608 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.696 26.669 10.184 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.238 26.604 8.804 1.00 0.00 C ATOM 1338 C ASP A 81 -3.119 25.152 8.362 1.00 0.00 C ATOM 1339 O ASP A 81 -4.036 24.394 8.639 1.00 0.00 O ATOM 1340 CB ASP A 81 -1.879 27.293 8.673 1.00 0.00 C ATOM 1341 CG ASP A 81 -1.451 27.323 7.210 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -2.207 26.841 6.385 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -0.373 27.826 6.938 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -2.117 24.816 7.755 1.00 0.00 O ATOM 0 H ASP A 81 -2.977 26.934 10.857 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.962 27.113 8.168 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.937 28.309 9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.134 26.764 9.268 1.00 0.00 H new