USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=11 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+ 180:sc= -0.321 (180deg=-0.455) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -7.26! C(o=-7.6!,f=-13!) USER MOD Set 2.1: A 28 ASN : amide:sc= -12! C(o=-27!,f=-27!) USER MOD Set 2.2: A 30 GLN : amide:sc= -10.1! C(o=-27!,f=-27!) USER MOD Set 2.3: A 75 ASN : amide:sc= -5.33! C(o=-27!,f=-30!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.275 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.13 F(o=-4!,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.93) USER MOD Single : A 19 GLN :FLIP amide:sc= -9.01! C(o=-11!,f=-9!) USER MOD Single : A 23 SER OG : rot 80:sc= 0.293 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.97! C(o=-3!,f=-3.9!) USER MOD Single : A 46 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.7) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.474 X(o=-0.47,f=-0.019) USER MOD Single : A 60 MET CE :methyl -123:sc= -0.951 (180deg=-5.91!) USER MOD Single : A 61 CYS SG : rot -71:sc= -1.96! USER MOD Single : A 63 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.524) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -90:sc= -3.89! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.3) USER MOD Single : A 79 ASN : amide:sc= -0.733 K(o=-0.73,f=-6.4!) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.368 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.343 50.529 1.223 1.00 0.00 N ATOM 93 CA LYS A 8 3.590 49.208 1.785 1.00 0.00 C ATOM 94 C LYS A 8 5.070 49.039 2.107 1.00 0.00 C ATOM 95 O LYS A 8 5.875 49.940 1.871 1.00 0.00 O ATOM 96 CB LYS A 8 3.139 48.128 0.802 1.00 0.00 C ATOM 97 CG LYS A 8 1.617 48.197 0.650 1.00 0.00 C ATOM 98 CD LYS A 8 1.126 47.034 -0.215 1.00 0.00 C ATOM 99 CE LYS A 8 -0.397 47.100 -0.334 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.851 46.198 -1.429 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.018 49.107 2.708 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.621 48.274 -0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.437 47.143 1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.143 48.158 1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.331 49.146 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.582 47.084 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.427 46.084 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.859 46.806 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.712 48.123 -0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.887 46.244 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.421 46.498 -2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.563 45.222 -1.216 1.00 0.00 H new ATOM 114 N PHE A 9 5.418 47.888 2.664 1.00 0.00 N ATOM 115 CA PHE A 9 6.801 47.619 3.030 1.00 0.00 C ATOM 116 C PHE A 9 7.637 47.282 1.800 1.00 0.00 C ATOM 117 O PHE A 9 7.115 46.797 0.796 1.00 0.00 O ATOM 118 CB PHE A 9 6.844 46.470 4.033 1.00 0.00 C ATOM 119 CG PHE A 9 6.388 46.984 5.378 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.319 47.527 6.267 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.033 46.924 5.724 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.897 48.011 7.510 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.610 47.408 6.966 1.00 0.00 C ATOM 124 CZ PHE A 9 5.541 47.950 7.859 1.00 0.00 C ATOM 0 H PHE A 9 4.767 47.130 2.871 1.00 0.00 H new ATOM 0 HA PHE A 9 7.225 48.514 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.200 45.655 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.855 46.069 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.363 47.573 5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.316 46.505 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.615 48.431 8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.565 47.363 7.236 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.214 48.322 8.819 1.00 0.00 H new ATOM 134 N THR A 10 8.941 47.545 1.890 1.00 0.00 N ATOM 135 CA THR A 10 9.853 47.270 0.782 1.00 0.00 C ATOM 136 C THR A 10 10.330 45.826 0.836 1.00 0.00 C ATOM 137 O THR A 10 10.279 45.193 1.889 1.00 0.00 O ATOM 138 CB THR A 10 11.063 48.203 0.865 1.00 0.00 C ATOM 139 OG1 THR A 10 11.799 47.921 2.049 1.00 0.00 O ATOM 140 CG2 THR A 10 10.593 49.659 0.889 1.00 0.00 C ATOM 0 H THR A 10 9.387 47.946 2.715 1.00 0.00 H new ATOM 0 HA THR A 10 9.322 47.437 -0.155 1.00 0.00 H new ATOM 0 HB THR A 10 11.700 48.046 -0.006 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.654 48.400 2.025 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.458 50.320 0.948 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.033 49.875 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.953 49.821 1.757 1.00 0.00 H new ATOM 148 N ASP A 11 10.793 45.301 -0.296 1.00 0.00 N ATOM 149 CA ASP A 11 11.269 43.927 -0.335 1.00 0.00 C ATOM 150 C ASP A 11 12.337 43.711 0.731 1.00 0.00 C ATOM 151 O ASP A 11 12.362 42.674 1.393 1.00 0.00 O ATOM 152 CB ASP A 11 11.851 43.613 -1.715 1.00 0.00 C ATOM 153 CG ASP A 11 10.745 43.635 -2.765 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.591 43.706 -2.375 1.00 0.00 O ATOM 155 OD2 ASP A 11 11.065 43.582 -3.939 1.00 0.00 O1- ATOM 0 H ASP A 11 10.847 45.800 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 11 10.429 43.261 -0.139 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.620 44.343 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.332 42.635 -1.702 1.00 0.00 H new ATOM 160 N ASP A 12 13.213 44.698 0.897 1.00 0.00 N ATOM 161 CA ASP A 12 14.274 44.594 1.893 1.00 0.00 C ATOM 162 C ASP A 12 13.689 44.574 3.300 1.00 0.00 C ATOM 163 O ASP A 12 14.049 43.728 4.117 1.00 0.00 O ATOM 164 CB ASP A 12 15.244 45.767 1.760 1.00 0.00 C ATOM 165 CG ASP A 12 15.976 45.685 0.425 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.840 44.672 -0.242 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.663 46.637 0.090 1.00 0.00 O1- ATOM 0 H ASP A 12 13.210 45.567 0.363 1.00 0.00 H new ATOM 0 HA ASP A 12 14.812 43.662 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.701 46.709 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.962 45.752 2.580 1.00 0.00 H new ATOM 172 N GLU A 13 12.772 45.495 3.571 1.00 0.00 N ATOM 173 CA GLU A 13 12.136 45.552 4.879 1.00 0.00 C ATOM 174 C GLU A 13 11.335 44.286 5.112 1.00 0.00 C ATOM 175 O GLU A 13 11.308 43.738 6.214 1.00 0.00 O ATOM 176 CB GLU A 13 11.205 46.758 4.951 1.00 0.00 C ATOM 177 CG GLU A 13 12.025 48.046 5.049 1.00 0.00 C ATOM 178 CD GLU A 13 11.089 49.241 5.172 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.897 49.020 5.332 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.575 50.361 5.114 1.00 0.00 O ATOM 0 H GLU A 13 12.456 46.205 2.910 1.00 0.00 H new ATOM 0 HA GLU A 13 12.906 45.644 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.568 46.789 4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.547 46.669 5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.689 48.001 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.656 48.155 4.167 1.00 0.00 H new ATOM 187 N TRP A 14 10.686 43.825 4.054 1.00 0.00 N ATOM 188 CA TRP A 14 9.889 42.626 4.130 1.00 0.00 C ATOM 189 C TRP A 14 10.784 41.446 4.461 1.00 0.00 C ATOM 190 O TRP A 14 10.485 40.657 5.356 1.00 0.00 O ATOM 191 CB TRP A 14 9.186 42.422 2.793 1.00 0.00 C ATOM 192 CG TRP A 14 7.936 41.636 2.983 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.618 40.523 2.290 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.828 41.883 3.902 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.383 40.068 2.718 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.859 40.872 3.711 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.566 42.877 4.873 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.677 40.843 4.453 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.379 42.847 5.622 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.435 41.833 5.410 1.00 0.00 C ATOM 0 H TRP A 14 10.700 44.268 3.135 1.00 0.00 H new ATOM 0 HA TRP A 14 9.138 42.714 4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.952 43.388 2.346 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.849 41.903 2.101 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.227 40.063 1.526 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.917 39.241 2.346 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.285 43.666 5.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.953 40.059 4.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.192 43.609 6.365 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.521 41.816 5.986 1.00 0.00 H new ATOM 211 N ASN A 15 11.900 41.342 3.751 1.00 0.00 N ATOM 212 CA ASN A 15 12.847 40.269 4.000 1.00 0.00 C ATOM 213 C ASN A 15 13.315 40.312 5.451 1.00 0.00 C ATOM 214 O ASN A 15 13.475 39.278 6.096 1.00 0.00 O ATOM 215 CB ASN A 15 14.048 40.414 3.068 1.00 0.00 C ATOM 216 CG ASN A 15 13.633 40.140 1.627 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.365 40.065 1.324 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.487 40.002 0.750 1.00 0.00 N flip ATOM 0 H ASN A 15 12.168 41.983 3.004 1.00 0.00 H new ATOM 0 HA ASN A 15 12.358 39.313 3.812 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.462 41.419 3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.834 39.720 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.477 40.061 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.204 39.829 -0.215 1.00 0.00 H new ATOM 225 N GLN A 16 13.510 41.523 5.966 1.00 0.00 N ATOM 226 CA GLN A 16 13.937 41.687 7.350 1.00 0.00 C ATOM 227 C GLN A 16 12.868 41.115 8.270 1.00 0.00 C ATOM 228 O GLN A 16 13.166 40.401 9.230 1.00 0.00 O ATOM 229 CB GLN A 16 14.138 43.172 7.658 1.00 0.00 C ATOM 230 CG GLN A 16 15.348 43.697 6.889 1.00 0.00 C ATOM 231 CD GLN A 16 15.234 45.206 6.725 1.00 0.00 C ATOM 232 OE1 GLN A 16 14.764 45.897 7.630 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.633 45.764 5.616 1.00 0.00 N ATOM 0 H GLN A 16 13.381 42.395 5.452 1.00 0.00 H new ATOM 0 HA GLN A 16 14.879 41.161 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.247 43.735 7.381 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.285 43.315 8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.266 43.447 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.406 43.218 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.022 45.190 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.556 46.774 5.497 1.00 0.00 H new ATOM 242 N LEU A 17 11.619 41.431 7.955 1.00 0.00 N ATOM 243 CA LEU A 17 10.492 40.945 8.737 1.00 0.00 C ATOM 244 C LEU A 17 10.434 39.421 8.706 1.00 0.00 C ATOM 245 O LEU A 17 10.126 38.781 9.711 1.00 0.00 O ATOM 246 CB LEU A 17 9.193 41.517 8.164 1.00 0.00 C ATOM 247 CG LEU A 17 7.996 40.933 8.915 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.002 41.432 10.358 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.704 41.381 8.234 1.00 0.00 C ATOM 0 H LEU A 17 11.362 42.021 7.164 1.00 0.00 H new ATOM 0 HA LEU A 17 10.616 41.268 9.771 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.194 42.604 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.118 41.282 7.102 1.00 0.00 H new ATOM 0 HG LEU A 17 8.060 39.845 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.148 41.014 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.924 41.118 10.848 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.938 42.520 10.367 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.849 40.966 8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.645 42.469 8.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.695 41.028 7.203 1.00 0.00 H new ATOM 261 N LYS A 18 10.722 38.845 7.545 1.00 0.00 N ATOM 262 CA LYS A 18 10.691 37.397 7.399 1.00 0.00 C ATOM 263 C LYS A 18 11.675 36.732 8.352 1.00 0.00 C ATOM 264 O LYS A 18 11.334 35.764 9.028 1.00 0.00 O ATOM 265 CB LYS A 18 11.043 37.010 5.962 1.00 0.00 C ATOM 266 CG LYS A 18 9.944 37.489 5.020 1.00 0.00 C ATOM 267 CD LYS A 18 10.281 37.064 3.588 1.00 0.00 C ATOM 268 CE LYS A 18 9.363 37.797 2.607 1.00 0.00 C ATOM 269 NZ LYS A 18 8.683 36.812 1.716 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.977 39.354 6.699 1.00 0.00 H new ATOM 0 HA LYS A 18 9.684 37.055 7.638 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.998 37.453 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.158 35.929 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.984 37.068 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.848 38.573 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.324 37.292 3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.160 35.986 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.621 38.378 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.942 38.501 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.061 37.316 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.397 36.276 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.116 36.157 2.291 1.00 0.00 H new ATOM 283 N GLN A 19 12.896 37.249 8.407 1.00 0.00 N ATOM 284 CA GLN A 19 13.901 36.671 9.287 1.00 0.00 C ATOM 285 C GLN A 19 13.438 36.734 10.737 1.00 0.00 C ATOM 286 O GLN A 19 13.629 35.783 11.495 1.00 0.00 O ATOM 287 CB GLN A 19 15.237 37.409 9.135 1.00 0.00 C ATOM 288 CG GLN A 19 15.922 36.985 7.831 1.00 0.00 C ATOM 289 CD GLN A 19 14.886 36.602 6.778 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.343 35.416 6.807 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 14.569 37.401 5.900 1.00 0.00 N flip ATOM 0 H GLN A 19 13.210 38.053 7.863 1.00 0.00 H new ATOM 0 HA GLN A 19 14.041 35.627 9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.069 38.486 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.883 37.188 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.542 37.800 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.585 36.141 8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.993 38.328 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.882 37.137 5.194 1.00 0.00 H new ATOM 300 N ASP A 20 12.836 37.856 11.121 1.00 0.00 N ATOM 301 CA ASP A 20 12.362 38.023 12.488 1.00 0.00 C ATOM 302 C ASP A 20 11.293 36.989 12.826 1.00 0.00 C ATOM 303 O ASP A 20 11.328 36.373 13.889 1.00 0.00 O ATOM 304 CB ASP A 20 11.780 39.426 12.667 1.00 0.00 C ATOM 305 CG ASP A 20 12.838 40.476 12.351 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.992 40.240 12.668 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.479 41.499 11.789 1.00 0.00 O1- ATOM 0 H ASP A 20 12.667 38.655 10.510 1.00 0.00 H new ATOM 0 HA ASP A 20 13.209 37.883 13.160 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.919 39.557 12.012 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.424 39.553 13.690 1.00 0.00 H new ATOM 312 N PHE A 21 10.341 36.797 11.919 1.00 0.00 N ATOM 313 CA PHE A 21 9.279 35.831 12.158 1.00 0.00 C ATOM 314 C PHE A 21 9.857 34.420 12.193 1.00 0.00 C ATOM 315 O PHE A 21 9.540 33.631 13.082 1.00 0.00 O ATOM 316 CB PHE A 21 8.208 35.937 11.070 1.00 0.00 C ATOM 317 CG PHE A 21 7.315 37.137 11.329 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.766 38.208 12.121 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.031 37.185 10.767 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.936 39.313 12.346 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.204 38.291 10.996 1.00 0.00 C ATOM 322 CZ PHE A 21 5.656 39.356 11.783 1.00 0.00 C ATOM 0 H PHE A 21 10.284 37.289 11.027 1.00 0.00 H new ATOM 0 HA PHE A 21 8.817 36.048 13.121 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.680 36.030 10.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.609 35.027 11.049 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.754 38.178 12.556 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.679 36.367 10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.285 40.134 12.955 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.215 38.322 10.564 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.018 40.210 11.956 1.00 0.00 H new ATOM 332 N ILE A 22 10.725 34.112 11.233 1.00 0.00 N ATOM 333 CA ILE A 22 11.348 32.794 11.193 1.00 0.00 C ATOM 334 C ILE A 22 12.100 32.531 12.499 1.00 0.00 C ATOM 335 O ILE A 22 11.925 31.486 13.125 1.00 0.00 O ATOM 336 CB ILE A 22 12.306 32.683 10.003 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.518 32.834 8.697 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.968 31.303 10.028 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.487 33.049 7.531 1.00 0.00 C ATOM 0 H ILE A 22 11.009 34.745 10.485 1.00 0.00 H new ATOM 0 HA ILE A 22 10.565 32.045 11.075 1.00 0.00 H new ATOM 0 HB ILE A 22 13.063 33.465 10.066 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.914 31.944 8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.831 33.677 8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.653 31.213 9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.521 31.182 10.959 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.202 30.531 9.958 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.923 33.156 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 22 13.072 33.952 7.706 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.156 32.192 7.452 1.00 0.00 H new ATOM 351 N SER A 23 12.933 33.486 12.909 1.00 0.00 N ATOM 352 CA SER A 23 13.689 33.338 14.148 1.00 0.00 C ATOM 353 C SER A 23 12.739 33.083 15.310 1.00 0.00 C ATOM 354 O SER A 23 13.022 32.270 16.189 1.00 0.00 O ATOM 355 CB SER A 23 14.520 34.593 14.424 1.00 0.00 C ATOM 356 OG SER A 23 15.576 34.671 13.476 1.00 0.00 O ATOM 0 H SER A 23 13.099 34.359 12.408 1.00 0.00 H new ATOM 0 HA SER A 23 14.364 32.489 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.892 35.481 14.360 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.925 34.561 15.436 1.00 0.00 H new ATOM 0 HG SER A 23 15.232 35.032 12.632 1.00 0.00 H new ATOM 362 N GLY A 24 11.597 33.761 15.295 1.00 0.00 N ATOM 363 CA GLY A 24 10.607 33.571 16.345 1.00 0.00 C ATOM 364 C GLY A 24 10.150 32.118 16.371 1.00 0.00 C ATOM 365 O GLY A 24 9.862 31.563 17.430 1.00 0.00 O ATOM 0 H GLY A 24 11.337 34.438 14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.032 33.845 17.311 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.753 34.227 16.175 1.00 0.00 H new ATOM 369 N ILE A 25 10.097 31.500 15.193 1.00 0.00 N ATOM 370 CA ILE A 25 9.680 30.103 15.091 1.00 0.00 C ATOM 371 C ILE A 25 10.751 29.179 15.657 1.00 0.00 C ATOM 372 O ILE A 25 10.455 28.279 16.440 1.00 0.00 O ATOM 373 CB ILE A 25 9.424 29.730 13.628 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.330 30.630 13.032 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.986 28.269 13.545 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.156 30.759 14.008 1.00 0.00 C ATOM 0 H ILE A 25 10.335 31.939 14.304 1.00 0.00 H new ATOM 0 HA ILE A 25 8.762 29.985 15.666 1.00 0.00 H new ATOM 0 HB ILE A 25 10.344 29.871 13.060 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.740 31.616 12.814 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.982 30.213 12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.803 28.002 12.504 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.771 27.630 13.951 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.071 28.130 14.121 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.389 31.399 13.572 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.736 29.772 14.205 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.506 31.197 14.943 1.00 0.00 H new ATOM 388 N LEU A 26 11.998 29.412 15.269 1.00 0.00 N ATOM 389 CA LEU A 26 13.096 28.596 15.765 1.00 0.00 C ATOM 390 C LEU A 26 13.316 28.889 17.244 1.00 0.00 C ATOM 391 O LEU A 26 13.793 28.044 18.001 1.00 0.00 O ATOM 392 CB LEU A 26 14.368 28.869 14.951 1.00 0.00 C ATOM 393 CG LEU A 26 15.274 29.852 15.692 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.993 29.127 16.830 1.00 0.00 C ATOM 395 CD2 LEU A 26 16.309 30.418 14.715 1.00 0.00 C ATOM 0 H LEU A 26 12.272 30.150 14.620 1.00 0.00 H new ATOM 0 HA LEU A 26 12.848 27.541 15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.902 27.935 14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.103 29.274 13.975 1.00 0.00 H new ATOM 0 HG LEU A 26 14.673 30.664 16.103 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.639 29.829 17.358 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.258 28.719 17.523 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.596 28.316 16.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.958 31.120 15.239 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.909 29.604 14.308 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.798 30.934 13.902 1.00 0.00 H new ATOM 407 N GLU A 27 12.930 30.094 17.643 1.00 0.00 N ATOM 408 CA GLU A 27 13.045 30.515 19.029 1.00 0.00 C ATOM 409 C GLU A 27 11.969 29.835 19.883 1.00 0.00 C ATOM 410 O GLU A 27 12.160 29.615 21.078 1.00 0.00 O ATOM 411 CB GLU A 27 12.903 32.040 19.116 1.00 0.00 C ATOM 412 CG GLU A 27 13.023 32.486 20.572 1.00 0.00 C ATOM 413 CD GLU A 27 14.464 32.330 21.045 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.353 32.725 20.308 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.658 31.805 22.129 1.00 0.00 O1- ATOM 0 H GLU A 27 12.533 30.798 17.021 1.00 0.00 H new ATOM 0 HA GLU A 27 14.024 30.223 19.410 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.673 32.522 18.513 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.940 32.349 18.709 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.709 33.525 20.670 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.359 31.892 21.199 1.00 0.00 H new ATOM 422 N ASN A 28 10.829 29.524 19.261 1.00 0.00 N ATOM 423 CA ASN A 28 9.719 28.887 19.971 1.00 0.00 C ATOM 424 C ASN A 28 9.524 27.427 19.549 1.00 0.00 C ATOM 425 O ASN A 28 9.869 27.024 18.437 1.00 0.00 O ATOM 426 CB ASN A 28 8.428 29.662 19.705 1.00 0.00 C ATOM 427 CG ASN A 28 8.019 29.506 18.245 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.571 28.670 17.533 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.086 30.272 17.755 1.00 0.00 N ATOM 0 H ASN A 28 10.651 29.702 18.272 1.00 0.00 H new ATOM 0 HA ASN A 28 9.961 28.899 21.034 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.633 29.296 20.355 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.572 30.716 19.940 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.811 30.179 16.777 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.630 30.965 18.349 1.00 0.00 H new ATOM 436 N GLU A 29 8.943 26.646 20.456 1.00 0.00 N ATOM 437 CA GLU A 29 8.673 25.234 20.199 1.00 0.00 C ATOM 438 C GLU A 29 7.674 25.076 19.055 1.00 0.00 C ATOM 439 O GLU A 29 7.579 24.015 18.440 1.00 0.00 O ATOM 440 CB GLU A 29 8.093 24.587 21.453 1.00 0.00 C ATOM 441 CG GLU A 29 8.077 23.070 21.280 1.00 0.00 C ATOM 442 CD GLU A 29 9.500 22.532 21.370 1.00 0.00 C ATOM 443 OE1 GLU A 29 10.314 23.176 22.011 1.00 0.00 O ATOM 444 OE2 GLU A 29 9.755 21.487 20.797 1.00 0.00 O1- ATOM 0 H GLU A 29 8.649 26.968 21.378 1.00 0.00 H new ATOM 0 HA GLU A 29 9.610 24.749 19.925 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.689 24.858 22.324 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.082 24.954 21.631 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.455 22.612 22.049 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.638 22.808 20.317 1.00 0.00 H new ATOM 451 N GLN A 30 6.913 26.134 18.790 1.00 0.00 N ATOM 452 CA GLN A 30 5.906 26.093 17.732 1.00 0.00 C ATOM 453 C GLN A 30 6.485 25.519 16.447 1.00 0.00 C ATOM 454 O GLN A 30 5.743 25.027 15.596 1.00 0.00 O ATOM 455 CB GLN A 30 5.378 27.496 17.442 1.00 0.00 C ATOM 456 CG GLN A 30 4.581 28.018 18.639 1.00 0.00 C ATOM 457 CD GLN A 30 4.080 29.425 18.337 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.602 30.090 17.442 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.091 29.919 19.027 1.00 0.00 N ATOM 0 H GLN A 30 6.972 27.023 19.287 1.00 0.00 H new ATOM 0 HA GLN A 30 5.094 25.454 18.080 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.209 28.168 17.228 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.746 27.478 16.554 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.740 27.357 18.846 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.207 28.026 19.531 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.660 29.366 19.768 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.748 30.858 18.826 1.00 0.00 H new ATOM 468 N LYS A 31 7.804 25.595 16.299 1.00 0.00 N ATOM 469 CA LYS A 31 8.447 25.078 15.098 1.00 0.00 C ATOM 470 C LYS A 31 7.958 23.665 14.796 1.00 0.00 C ATOM 471 O LYS A 31 8.056 23.183 13.667 1.00 0.00 O ATOM 472 CB LYS A 31 9.968 25.085 15.282 1.00 0.00 C ATOM 473 CG LYS A 31 10.383 24.061 16.343 1.00 0.00 C ATOM 474 CD LYS A 31 11.888 24.195 16.605 1.00 0.00 C ATOM 475 CE LYS A 31 12.398 22.960 17.348 1.00 0.00 C ATOM 476 NZ LYS A 31 12.284 23.183 18.814 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.439 26.003 16.985 1.00 0.00 H new ATOM 0 HA LYS A 31 8.186 25.718 14.255 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.456 24.855 14.335 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.300 26.080 15.578 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.824 24.226 17.264 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.148 23.052 16.004 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.422 24.309 15.661 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.085 25.091 17.193 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.821 22.083 17.057 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.436 22.763 17.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.631 22.344 19.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.853 24.010 19.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.288 23.351 19.063 1.00 0.00 H new ATOM 490 N ASP A 32 7.437 23.005 15.818 1.00 0.00 N ATOM 491 CA ASP A 32 6.937 21.641 15.671 1.00 0.00 C ATOM 492 C ASP A 32 5.877 21.551 14.575 1.00 0.00 C ATOM 493 O ASP A 32 5.850 20.586 13.810 1.00 0.00 O ATOM 494 CB ASP A 32 6.335 21.162 16.992 1.00 0.00 C ATOM 495 CG ASP A 32 6.359 19.639 17.050 1.00 0.00 C ATOM 496 OD1 ASP A 32 6.365 19.023 15.996 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.374 19.109 18.151 1.00 0.00 O1- ATOM 0 H ASP A 32 7.348 23.388 16.759 1.00 0.00 H new ATOM 0 HA ASP A 32 7.778 21.007 15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.897 21.576 17.829 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.311 21.522 17.087 1.00 0.00 H new ATOM 502 N LEU A 33 4.997 22.546 14.499 1.00 0.00 N ATOM 503 CA LEU A 33 3.948 22.525 13.484 1.00 0.00 C ATOM 504 C LEU A 33 4.552 22.523 12.086 1.00 0.00 C ATOM 505 O LEU A 33 4.025 21.881 11.178 1.00 0.00 O ATOM 506 CB LEU A 33 2.997 23.715 13.644 1.00 0.00 C ATOM 507 CG LEU A 33 2.094 23.482 14.857 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.842 23.878 16.129 1.00 0.00 C ATOM 509 CD2 LEU A 33 0.824 24.327 14.723 1.00 0.00 C ATOM 0 H LEU A 33 4.988 23.360 15.113 1.00 0.00 H new ATOM 0 HA LEU A 33 3.374 21.608 13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.566 24.636 13.772 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.393 23.836 12.745 1.00 0.00 H new ATOM 0 HG LEU A 33 1.820 22.428 14.909 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.201 23.713 16.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.743 23.273 16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.117 24.932 16.077 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.182 24.159 15.588 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.093 25.382 14.670 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.291 24.042 13.816 1.00 0.00 H new ATOM 521 N VAL A 34 5.664 23.227 11.912 1.00 0.00 N ATOM 522 CA VAL A 34 6.312 23.264 10.615 1.00 0.00 C ATOM 523 C VAL A 34 6.849 21.887 10.267 1.00 0.00 C ATOM 524 O VAL A 34 6.797 21.460 9.115 1.00 0.00 O ATOM 525 CB VAL A 34 7.453 24.280 10.613 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.383 23.964 9.450 1.00 0.00 C ATOM 527 CG2 VAL A 34 6.886 25.687 10.428 1.00 0.00 C ATOM 0 H VAL A 34 6.126 23.770 12.641 1.00 0.00 H new ATOM 0 HA VAL A 34 5.577 23.565 9.869 1.00 0.00 H new ATOM 0 HB VAL A 34 7.995 24.229 11.557 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.204 24.681 9.435 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.783 22.957 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.829 24.027 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.701 26.411 10.427 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.351 25.742 9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.201 25.914 11.245 1.00 0.00 H new ATOM 537 N ALA A 35 7.357 21.188 11.274 1.00 0.00 N ATOM 538 CA ALA A 35 7.890 19.852 11.053 1.00 0.00 C ATOM 539 C ALA A 35 6.786 18.927 10.565 1.00 0.00 C ATOM 540 O ALA A 35 7.001 18.093 9.689 1.00 0.00 O ATOM 541 CB ALA A 35 8.489 19.291 12.340 1.00 0.00 C ATOM 0 H ALA A 35 7.411 21.518 12.238 1.00 0.00 H new ATOM 0 HA ALA A 35 8.674 19.917 10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.882 18.292 12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.296 19.941 12.679 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.717 19.240 13.108 1.00 0.00 H new ATOM 689 N ASN A 45 12.274 26.581 8.141 1.00 0.00 N ATOM 690 CA ASN A 45 10.938 27.023 8.522 1.00 0.00 C ATOM 691 C ASN A 45 10.034 27.148 7.303 1.00 0.00 C ATOM 692 O ASN A 45 9.234 28.078 7.211 1.00 0.00 O ATOM 693 CB ASN A 45 11.017 28.364 9.247 1.00 0.00 C ATOM 694 CG ASN A 45 11.816 28.200 10.536 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.257 27.841 11.574 1.00 0.00 O ATOM 696 ND2 ASN A 45 13.099 28.432 10.527 1.00 0.00 N ATOM 0 HA ASN A 45 10.512 26.275 9.190 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.489 29.108 8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.014 28.727 9.472 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.644 28.317 11.381 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.558 28.729 9.666 1.00 0.00 H new ATOM 703 N GLN A 46 10.197 26.230 6.356 1.00 0.00 N ATOM 704 CA GLN A 46 9.408 26.258 5.130 1.00 0.00 C ATOM 705 C GLN A 46 9.445 27.654 4.517 1.00 0.00 C ATOM 706 O GLN A 46 8.420 28.225 4.146 1.00 0.00 O ATOM 707 CB GLN A 46 7.965 25.810 5.391 1.00 0.00 C ATOM 708 CG GLN A 46 7.259 26.774 6.348 1.00 0.00 C ATOM 709 CD GLN A 46 5.768 26.475 6.369 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.004 27.054 5.600 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.314 25.597 7.212 1.00 0.00 N ATOM 0 H GLN A 46 10.865 25.461 6.413 1.00 0.00 H new ATOM 0 HA GLN A 46 9.845 25.555 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.419 25.761 4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.963 24.805 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.674 26.675 7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.429 27.804 6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.955 25.121 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.317 25.384 7.239 1.00 0.00 H new ATOM 720 N LEU A 47 10.656 28.194 4.424 1.00 0.00 N ATOM 721 CA LEU A 47 10.858 29.524 3.868 1.00 0.00 C ATOM 722 C LEU A 47 9.999 29.739 2.626 1.00 0.00 C ATOM 723 O LEU A 47 9.346 30.772 2.485 1.00 0.00 O ATOM 724 CB LEU A 47 12.329 29.719 3.493 1.00 0.00 C ATOM 725 CG LEU A 47 13.051 30.495 4.596 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.561 30.276 4.465 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.742 31.987 4.450 1.00 0.00 C ATOM 0 H LEU A 47 11.512 27.729 4.727 1.00 0.00 H new ATOM 0 HA LEU A 47 10.567 30.249 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.807 28.750 3.346 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.404 30.258 2.549 1.00 0.00 H new ATOM 0 HG LEU A 47 12.713 30.144 5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.078 30.828 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.784 29.213 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.897 30.631 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.255 32.543 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.084 32.336 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.667 32.146 4.536 1.00 0.00 H new ATOM 739 N ASP A 48 10.043 28.778 1.713 1.00 0.00 N ATOM 740 CA ASP A 48 9.301 28.886 0.462 1.00 0.00 C ATOM 741 C ASP A 48 7.801 29.096 0.711 1.00 0.00 C ATOM 742 O ASP A 48 7.198 30.044 0.189 1.00 0.00 O ATOM 743 CB ASP A 48 9.515 27.603 -0.350 1.00 0.00 C ATOM 744 CG ASP A 48 11.002 27.410 -0.636 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.759 28.334 -0.383 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 11.364 26.336 -1.090 1.00 0.00 O ATOM 0 H ASP A 48 10.582 27.918 1.813 1.00 0.00 H new ATOM 0 HA ASP A 48 9.669 29.753 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.127 26.745 0.200 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.960 27.658 -1.286 1.00 0.00 H new ATOM 751 N LEU A 49 7.212 28.224 1.524 1.00 0.00 N ATOM 752 CA LEU A 49 5.788 28.344 1.838 1.00 0.00 C ATOM 753 C LEU A 49 5.540 29.564 2.719 1.00 0.00 C ATOM 754 O LEU A 49 4.530 30.250 2.574 1.00 0.00 O ATOM 755 CB LEU A 49 5.273 27.088 2.549 1.00 0.00 C ATOM 756 CG LEU A 49 5.215 25.911 1.570 1.00 0.00 C ATOM 757 CD1 LEU A 49 3.997 26.075 0.659 1.00 0.00 C ATOM 758 CD2 LEU A 49 6.488 25.879 0.721 1.00 0.00 C ATOM 0 H LEU A 49 7.686 27.439 1.971 1.00 0.00 H new ATOM 0 HA LEU A 49 5.249 28.460 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.926 26.842 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.282 27.276 2.962 1.00 0.00 H new ATOM 0 HG LEU A 49 5.135 24.978 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.950 25.240 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.090 26.093 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.081 27.009 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.441 25.040 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.575 26.810 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.356 25.764 1.371 1.00 0.00 H new ATOM 770 N LEU A 50 6.456 29.809 3.650 1.00 0.00 N ATOM 771 CA LEU A 50 6.311 30.930 4.568 1.00 0.00 C ATOM 772 C LEU A 50 6.223 32.244 3.804 1.00 0.00 C ATOM 773 O LEU A 50 5.390 33.093 4.118 1.00 0.00 O ATOM 774 CB LEU A 50 7.521 30.990 5.501 1.00 0.00 C ATOM 775 CG LEU A 50 7.094 31.459 6.896 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.342 31.794 7.719 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.213 32.707 6.785 1.00 0.00 C ATOM 0 H LEU A 50 7.299 29.251 3.787 1.00 0.00 H new ATOM 0 HA LEU A 50 5.396 30.784 5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.987 30.007 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.269 31.670 5.094 1.00 0.00 H new ATOM 0 HG LEU A 50 6.528 30.665 7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.044 32.128 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.968 30.906 7.808 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.903 32.586 7.223 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.915 33.032 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.772 33.504 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.324 32.474 6.199 1.00 0.00 H new ATOM 789 N HIS A 51 7.097 32.415 2.813 1.00 0.00 N ATOM 790 CA HIS A 51 7.124 33.642 2.023 1.00 0.00 C ATOM 791 C HIS A 51 5.810 33.878 1.295 1.00 0.00 C ATOM 792 O HIS A 51 5.240 34.963 1.389 1.00 0.00 O ATOM 793 CB HIS A 51 8.265 33.575 1.011 1.00 0.00 C ATOM 794 CG HIS A 51 9.566 33.821 1.725 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.631 34.460 1.115 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.985 33.521 2.997 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.633 34.522 2.012 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.292 33.963 3.177 1.00 0.00 N ATOM 0 H HIS A 51 7.793 31.721 2.540 1.00 0.00 H new ATOM 0 HA HIS A 51 7.278 34.475 2.709 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.281 32.600 0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.118 34.319 0.228 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.653 34.818 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.390 33.018 3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.596 34.969 1.814 1.00 0.00 H new ATOM 807 N LYS A 52 5.322 32.875 0.566 1.00 0.00 N ATOM 808 CA LYS A 52 4.066 33.058 -0.154 1.00 0.00 C ATOM 809 C LYS A 52 2.954 33.370 0.838 1.00 0.00 C ATOM 810 O LYS A 52 2.157 34.287 0.631 1.00 0.00 O ATOM 811 CB LYS A 52 3.714 31.799 -0.952 1.00 0.00 C ATOM 812 CG LYS A 52 4.772 31.568 -2.032 1.00 0.00 C ATOM 813 CD LYS A 52 4.370 30.369 -2.891 1.00 0.00 C ATOM 814 CE LYS A 52 5.491 30.051 -3.885 1.00 0.00 C ATOM 815 NZ LYS A 52 4.913 29.871 -5.249 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.759 31.960 0.460 1.00 0.00 H new ATOM 0 HA LYS A 52 4.177 33.888 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.663 30.937 -0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.730 31.908 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.872 32.457 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.744 31.390 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.176 29.504 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.446 30.586 -3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.224 30.858 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.016 29.146 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.675 29.655 -5.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.230 29.087 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.431 30.745 -5.540 1.00 0.00 H new ATOM 829 N TRP A 53 2.916 32.608 1.924 1.00 0.00 N ATOM 830 CA TRP A 53 1.912 32.809 2.956 1.00 0.00 C ATOM 831 C TRP A 53 1.979 34.244 3.469 1.00 0.00 C ATOM 832 O TRP A 53 0.999 34.983 3.422 1.00 0.00 O ATOM 833 CB TRP A 53 2.197 31.832 4.106 1.00 0.00 C ATOM 834 CG TRP A 53 1.021 31.708 5.023 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.030 30.798 4.891 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.714 32.480 6.224 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.864 30.954 5.933 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.487 31.981 6.782 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.357 33.551 6.881 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.038 32.527 7.942 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.802 34.103 8.052 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.392 33.589 8.581 1.00 0.00 C ATOM 0 H TRP A 53 3.569 31.847 2.111 1.00 0.00 H new ATOM 0 HA TRP A 53 0.917 32.629 2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.448 30.852 3.699 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.065 32.175 4.670 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.050 30.068 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.699 30.383 6.061 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.279 33.949 6.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.959 32.131 8.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.298 34.926 8.545 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.811 34.014 9.481 1.00 0.00 H new ATOM 853 N LEU A 54 3.148 34.627 3.963 1.00 0.00 N ATOM 854 CA LEU A 54 3.320 35.973 4.494 1.00 0.00 C ATOM 855 C LEU A 54 2.947 37.014 3.446 1.00 0.00 C ATOM 856 O LEU A 54 2.189 37.942 3.723 1.00 0.00 O ATOM 857 CB LEU A 54 4.769 36.199 4.919 1.00 0.00 C ATOM 858 CG LEU A 54 4.839 37.467 5.770 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.426 37.143 7.207 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.265 38.005 5.765 1.00 0.00 C ATOM 0 H LEU A 54 3.979 34.037 4.008 1.00 0.00 H new ATOM 0 HA LEU A 54 2.665 36.076 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.134 35.343 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.409 36.297 4.042 1.00 0.00 H new ATOM 0 HG LEU A 54 4.164 38.217 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.476 38.048 7.813 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.406 36.758 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.101 36.393 7.619 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.315 38.909 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.939 37.254 6.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.563 38.237 4.742 1.00 0.00 H new ATOM 872 N ASP A 55 3.489 36.861 2.241 1.00 0.00 N ATOM 873 CA ASP A 55 3.209 37.805 1.163 1.00 0.00 C ATOM 874 C ASP A 55 1.708 37.933 0.910 1.00 0.00 C ATOM 875 O ASP A 55 1.202 39.030 0.678 1.00 0.00 O ATOM 876 CB ASP A 55 3.909 37.346 -0.119 1.00 0.00 C ATOM 877 CG ASP A 55 5.416 37.529 0.021 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.827 38.183 0.966 1.00 0.00 O ATOM 879 OD2 ASP A 55 6.137 37.016 -0.819 1.00 0.00 O1- ATOM 0 H ASP A 55 4.119 36.100 1.988 1.00 0.00 H new ATOM 0 HA ASP A 55 3.587 38.782 1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.677 36.299 -0.316 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.541 37.919 -0.970 1.00 0.00 H new ATOM 884 N ARG A 56 1.011 36.803 0.945 1.00 0.00 N ATOM 885 CA ARG A 56 -0.429 36.781 0.707 1.00 0.00 C ATOM 886 C ARG A 56 -1.196 37.527 1.795 1.00 0.00 C ATOM 887 O ARG A 56 -2.253 38.103 1.537 1.00 0.00 O ATOM 888 CB ARG A 56 -0.920 35.333 0.639 1.00 0.00 C ATOM 889 CG ARG A 56 -2.397 35.316 0.250 1.00 0.00 C ATOM 890 CD ARG A 56 -2.912 33.876 0.221 1.00 0.00 C ATOM 891 NE ARG A 56 -4.257 33.842 -0.344 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.732 32.742 -0.917 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.012 31.653 -0.932 1.00 0.00 N ATOM 894 NH2 ARG A 56 -5.917 32.750 -1.467 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.420 35.888 1.136 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.615 37.285 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.334 34.773 -0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.781 34.845 1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.976 35.904 0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.530 35.778 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.243 33.253 -0.372 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.921 33.463 1.230 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.842 34.676 -0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.086 31.648 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.375 30.807 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.478 33.602 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.281 31.905 -1.907 1.00 0.00 H new ATOM 908 N HIS A 57 -0.678 37.494 3.013 1.00 0.00 N ATOM 909 CA HIS A 57 -1.344 38.154 4.126 1.00 0.00 C ATOM 910 C HIS A 57 -0.544 39.353 4.616 1.00 0.00 C ATOM 911 O HIS A 57 -0.786 39.858 5.706 1.00 0.00 O ATOM 912 CB HIS A 57 -1.537 37.152 5.268 1.00 0.00 C ATOM 913 CG HIS A 57 -2.360 35.993 4.773 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.745 36.008 4.805 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.011 34.788 4.217 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.174 34.847 4.279 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.161 34.068 3.903 1.00 0.00 N ATOM 0 H HIS A 57 0.193 37.022 3.255 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.313 38.516 3.784 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.570 36.800 5.627 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.034 37.633 6.110 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.999 34.450 4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.215 34.578 4.174 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.216 33.143 3.477 1.00 0.00 H new ATOM 926 N ARG A 58 0.402 39.810 3.805 1.00 0.00 N ATOM 927 CA ARG A 58 1.229 40.954 4.171 1.00 0.00 C ATOM 928 C ARG A 58 0.379 42.126 4.649 1.00 0.00 C ATOM 929 O ARG A 58 0.791 42.888 5.524 1.00 0.00 O ATOM 930 CB ARG A 58 2.057 41.385 2.971 1.00 0.00 C ATOM 931 CG ARG A 58 1.122 41.893 1.874 1.00 0.00 C ATOM 932 CD ARG A 58 1.890 41.995 0.560 1.00 0.00 C ATOM 933 NE ARG A 58 3.106 42.787 0.741 1.00 0.00 N ATOM 934 CZ ARG A 58 4.272 42.380 0.247 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.356 41.249 -0.397 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.338 43.114 0.413 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.616 39.408 2.892 1.00 0.00 H new ATOM 0 HA ARG A 58 1.882 40.652 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.758 42.168 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.649 40.547 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.275 41.217 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.718 42.867 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.148 40.998 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.260 42.453 -0.202 1.00 0.00 H new ATOM 0 HE ARG A 58 3.059 43.667 1.255 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.525 40.672 -0.524 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.253 40.942 -0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.275 43.997 0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.234 42.805 0.036 1.00 0.00 H new ATOM 950 N ASP A 59 -0.800 42.275 4.059 1.00 0.00 N ATOM 951 CA ASP A 59 -1.698 43.369 4.424 1.00 0.00 C ATOM 952 C ASP A 59 -1.968 43.358 5.930 1.00 0.00 C ATOM 953 O ASP A 59 -2.188 44.403 6.552 1.00 0.00 O ATOM 954 CB ASP A 59 -3.012 43.234 3.655 1.00 0.00 C ATOM 955 CG ASP A 59 -2.758 43.426 2.163 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.608 43.594 1.794 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.717 43.407 1.414 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.157 41.658 3.330 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.225 44.316 4.164 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.451 42.253 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.729 43.974 4.010 1.00 0.00 H new ATOM 962 N MET A 60 -1.934 42.168 6.516 1.00 0.00 N ATOM 963 CA MET A 60 -2.160 42.029 7.946 1.00 0.00 C ATOM 964 C MET A 60 -1.156 42.871 8.724 1.00 0.00 C ATOM 965 O MET A 60 -1.466 43.388 9.794 1.00 0.00 O ATOM 966 CB MET A 60 -2.011 40.566 8.356 1.00 0.00 C ATOM 967 CG MET A 60 -0.555 40.130 8.167 1.00 0.00 C ATOM 968 SD MET A 60 0.292 40.096 9.768 1.00 0.00 S ATOM 969 CE MET A 60 1.990 40.178 9.143 1.00 0.00 C ATOM 0 H MET A 60 -1.753 41.292 6.026 1.00 0.00 H new ATOM 0 HA MET A 60 -3.169 42.372 8.172 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.309 40.436 9.397 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.671 39.940 7.755 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.519 39.143 7.706 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.046 40.817 7.491 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.554 39.320 9.508 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.977 40.167 8.053 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.462 41.097 9.491 1.00 0.00 H new ATOM 979 N CYS A 61 0.045 43.013 8.172 1.00 0.00 N ATOM 980 CA CYS A 61 1.088 43.799 8.820 1.00 0.00 C ATOM 981 C CYS A 61 0.693 45.262 8.842 1.00 0.00 C ATOM 982 O CYS A 61 1.030 45.995 9.766 1.00 0.00 O ATOM 983 CB CYS A 61 2.415 43.638 8.071 1.00 0.00 C ATOM 984 SG CYS A 61 2.389 44.641 6.567 1.00 0.00 S ATOM 0 H CYS A 61 0.319 42.596 7.282 1.00 0.00 H new ATOM 0 HA CYS A 61 1.210 43.442 9.842 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.244 43.944 8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.577 42.590 7.818 1.00 0.00 H new ATOM 0 HG CYS A 61 1.577 44.107 5.703 1.00 0.00 H new ATOM 990 N GLU A 62 -0.042 45.666 7.825 1.00 0.00 N ATOM 991 CA GLU A 62 -0.499 47.038 7.726 1.00 0.00 C ATOM 992 C GLU A 62 -1.529 47.298 8.814 1.00 0.00 C ATOM 993 O GLU A 62 -1.708 48.430 9.262 1.00 0.00 O ATOM 994 CB GLU A 62 -1.125 47.266 6.351 1.00 0.00 C ATOM 995 CG GLU A 62 -0.102 46.917 5.264 1.00 0.00 C ATOM 996 CD GLU A 62 1.046 47.921 5.271 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.831 49.035 5.723 1.00 0.00 O ATOM 998 OE2 GLU A 62 2.126 47.562 4.823 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.336 45.064 7.056 1.00 0.00 H new ATOM 0 HA GLU A 62 0.342 47.720 7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.017 46.650 6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.440 48.305 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.285 45.912 5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.586 46.915 4.287 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.203 46.231 9.237 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.218 46.347 10.284 1.00 0.00 C ATOM 1007 C LYS A 63 -2.566 46.458 11.667 1.00 0.00 C ATOM 1008 O LYS A 63 -2.941 47.309 12.475 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.134 45.125 10.270 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.649 44.885 8.852 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.322 46.153 8.336 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.281 45.795 7.200 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.606 44.866 6.251 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.068 45.286 8.877 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.798 47.248 10.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.592 44.248 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.972 45.278 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.824 44.605 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.357 44.056 8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.865 46.644 9.144 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.570 46.859 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.180 45.329 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.596 46.699 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.098 44.887 5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.618 45.162 6.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.630 43.900 6.635 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.600 45.579 11.935 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.909 45.562 13.227 1.00 0.00 C ATOM 1029 C TRP A 64 0.582 45.312 13.009 1.00 0.00 C ATOM 1030 O TRP A 64 1.141 44.347 13.529 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.485 44.442 14.114 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.740 43.228 13.276 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -1.090 42.938 12.131 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.690 42.137 13.489 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.581 41.758 11.616 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.568 41.222 12.416 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.633 41.856 14.493 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.357 40.076 12.337 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.430 40.701 14.417 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.290 39.814 13.341 1.00 0.00 C ATOM 0 H TRP A 64 -1.278 44.870 11.276 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.052 46.524 13.718 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.788 44.204 14.917 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.411 44.774 14.584 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.308 43.536 11.687 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.254 41.333 10.748 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.746 42.532 15.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.247 39.396 11.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.154 40.496 15.192 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.904 38.927 13.289 1.00 0.00 H new ATOM 1051 N LYS A 65 1.201 46.187 12.216 1.00 0.00 N ATOM 1052 CA LYS A 65 2.625 46.083 11.887 1.00 0.00 C ATOM 1053 C LYS A 65 3.515 45.919 13.120 1.00 0.00 C ATOM 1054 O LYS A 65 4.729 46.113 13.038 1.00 0.00 O ATOM 1055 CB LYS A 65 3.063 47.334 11.123 1.00 0.00 C ATOM 1056 CG LYS A 65 2.884 48.561 12.016 1.00 0.00 C ATOM 1057 CD LYS A 65 3.041 49.825 11.168 1.00 0.00 C ATOM 1058 CE LYS A 65 3.259 51.035 12.081 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.945 51.501 12.614 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.733 46.984 11.785 1.00 0.00 H new ATOM 0 HA LYS A 65 2.744 45.187 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.105 47.241 10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.473 47.443 10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.901 48.544 12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.621 48.553 12.819 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.884 49.715 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.153 49.976 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.923 50.768 12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.744 51.839 11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.094 52.323 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.326 51.771 11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.499 50.734 13.157 1.00 0.00 H new ATOM 1073 N SER A 66 2.933 45.544 14.253 1.00 0.00 N ATOM 1074 CA SER A 66 3.727 45.349 15.459 1.00 0.00 C ATOM 1075 C SER A 66 4.460 44.016 15.368 1.00 0.00 C ATOM 1076 O SER A 66 4.080 43.144 14.591 1.00 0.00 O ATOM 1077 CB SER A 66 2.824 45.367 16.689 1.00 0.00 C ATOM 1078 OG SER A 66 1.953 44.249 16.636 1.00 0.00 O ATOM 0 H SER A 66 1.934 45.372 14.362 1.00 0.00 H new ATOM 0 HA SER A 66 4.453 46.157 15.549 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.425 45.334 17.598 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.248 46.292 16.721 1.00 0.00 H new ATOM 0 HG SER A 66 1.131 44.497 16.163 1.00 0.00 H new ATOM 1084 N LYS A 67 5.536 43.870 16.122 1.00 0.00 N ATOM 1085 CA LYS A 67 6.319 42.643 16.056 1.00 0.00 C ATOM 1086 C LYS A 67 5.734 41.519 16.907 1.00 0.00 C ATOM 1087 O LYS A 67 5.306 40.492 16.384 1.00 0.00 O ATOM 1088 CB LYS A 67 7.753 42.918 16.503 1.00 0.00 C ATOM 1089 CG LYS A 67 8.562 41.625 16.413 1.00 0.00 C ATOM 1090 CD LYS A 67 10.014 41.899 16.799 1.00 0.00 C ATOM 1091 CE LYS A 67 10.799 40.585 16.820 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.043 40.769 17.619 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.885 44.570 16.776 1.00 0.00 H new ATOM 0 HA LYS A 67 6.298 42.312 15.018 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.202 43.687 15.874 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.762 43.297 17.525 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.136 40.871 17.075 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.514 41.224 15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.465 42.592 16.088 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.056 42.375 17.779 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.190 39.791 17.251 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.047 40.280 15.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.580 39.878 17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.625 41.516 17.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.794 41.042 18.591 1.00 0.00 H new ATOM 1106 N GLU A 68 5.756 41.701 18.220 1.00 0.00 N ATOM 1107 CA GLU A 68 5.266 40.675 19.134 1.00 0.00 C ATOM 1108 C GLU A 68 3.782 40.378 18.936 1.00 0.00 C ATOM 1109 O GLU A 68 3.354 39.227 19.034 1.00 0.00 O ATOM 1110 CB GLU A 68 5.483 41.128 20.578 1.00 0.00 C ATOM 1111 CG GLU A 68 5.103 39.991 21.527 1.00 0.00 C ATOM 1112 CD GLU A 68 5.152 40.479 22.971 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.472 41.638 23.174 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 4.868 39.687 23.855 1.00 0.00 O ATOM 0 H GLU A 68 6.105 42.544 18.676 1.00 0.00 H new ATOM 0 HA GLU A 68 5.825 39.764 18.921 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.525 41.411 20.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.879 42.010 20.789 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.103 39.628 21.291 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.786 39.152 21.395 1.00 0.00 H new ATOM 1121 N ASP A 69 2.996 41.415 18.686 1.00 0.00 N ATOM 1122 CA ASP A 69 1.557 41.233 18.518 1.00 0.00 C ATOM 1123 C ASP A 69 1.246 40.343 17.320 1.00 0.00 C ATOM 1124 O ASP A 69 0.484 39.385 17.435 1.00 0.00 O ATOM 1125 CB ASP A 69 0.878 42.592 18.342 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.346 42.712 19.251 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.523 41.859 20.108 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.088 43.664 19.082 1.00 0.00 O ATOM 0 H ASP A 69 3.321 42.378 18.596 1.00 0.00 H new ATOM 0 HA ASP A 69 1.173 40.744 19.413 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.586 43.389 18.571 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.578 42.721 17.302 1.00 0.00 H new ATOM 1133 N ILE A 70 1.832 40.660 16.173 1.00 0.00 N ATOM 1134 CA ILE A 70 1.590 39.872 14.970 1.00 0.00 C ATOM 1135 C ILE A 70 2.029 38.425 15.168 1.00 0.00 C ATOM 1136 O ILE A 70 1.341 37.502 14.732 1.00 0.00 O ATOM 1137 CB ILE A 70 2.336 40.470 13.780 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.886 41.916 13.559 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.021 39.658 12.521 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.751 42.543 12.469 1.00 0.00 C ATOM 0 H ILE A 70 2.470 41.446 16.049 1.00 0.00 H new ATOM 0 HA ILE A 70 0.519 39.891 14.771 1.00 0.00 H new ATOM 0 HB ILE A 70 3.407 40.445 13.983 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.836 41.944 13.269 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.976 42.484 14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.553 40.084 11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.337 38.625 12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.948 39.686 12.329 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.438 43.574 12.304 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.796 42.526 12.779 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.638 41.977 11.544 1.00 0.00 H new ATOM 1152 N LEU A 71 3.170 38.222 15.827 1.00 0.00 N ATOM 1153 CA LEU A 71 3.665 36.871 16.064 1.00 0.00 C ATOM 1154 C LEU A 71 2.612 36.034 16.779 1.00 0.00 C ATOM 1155 O LEU A 71 2.400 34.873 16.444 1.00 0.00 O ATOM 1156 CB LEU A 71 4.938 36.924 16.912 1.00 0.00 C ATOM 1157 CG LEU A 71 6.088 37.510 16.088 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.323 37.658 16.975 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.411 36.573 14.921 1.00 0.00 C ATOM 0 H LEU A 71 3.760 38.966 16.200 1.00 0.00 H new ATOM 0 HA LEU A 71 3.887 36.411 15.101 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.769 37.532 17.800 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.198 35.923 17.256 1.00 0.00 H new ATOM 0 HG LEU A 71 5.796 38.486 15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.143 38.075 16.390 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.095 38.324 17.807 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.613 36.681 17.361 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.230 36.991 14.335 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.703 35.597 15.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.530 36.463 14.288 1.00 0.00 H new ATOM 1171 N HIS A 72 1.950 36.635 17.754 1.00 0.00 N ATOM 1172 CA HIS A 72 0.914 35.924 18.494 1.00 0.00 C ATOM 1173 C HIS A 72 -0.228 35.511 17.569 1.00 0.00 C ATOM 1174 O HIS A 72 -0.717 34.378 17.627 1.00 0.00 O ATOM 1175 CB HIS A 72 0.376 36.814 19.615 1.00 0.00 C ATOM 1176 CG HIS A 72 1.311 36.759 20.790 1.00 0.00 C ATOM 1177 ND1 HIS A 72 2.553 37.373 20.781 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.199 36.161 22.023 1.00 0.00 C ATOM 1179 CE1 HIS A 72 3.135 37.132 21.971 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.351 36.398 22.766 1.00 0.00 N ATOM 0 H HIS A 72 2.106 37.599 18.050 1.00 0.00 H new ATOM 0 HA HIS A 72 1.353 35.023 18.923 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.277 37.841 19.263 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.619 36.482 19.912 1.00 0.00 H new ATOM 0 HD1 HIS A 72 2.954 37.910 20.012 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.346 35.593 22.363 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.116 37.488 22.249 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.652 36.436 16.716 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.742 36.153 15.792 1.00 0.00 C ATOM 1191 C LYS A 73 -1.376 35.000 14.865 1.00 0.00 C ATOM 1192 O LYS A 73 -2.128 34.033 14.731 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.048 37.396 14.958 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.263 38.587 15.891 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.356 38.249 16.906 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.892 39.540 17.528 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.806 39.447 19.015 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.263 37.376 16.645 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.621 35.873 16.372 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.226 37.600 14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.937 37.230 14.349 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.335 38.830 16.408 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.547 39.468 15.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.165 37.705 16.418 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.957 37.597 17.683 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.316 40.394 17.172 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.925 39.702 17.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.170 40.324 19.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.374 38.641 19.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.814 39.311 19.298 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.227 35.115 14.212 1.00 0.00 N ATOM 1212 CA LEU A 74 0.210 34.076 13.288 1.00 0.00 C ATOM 1213 C LEU A 74 0.292 32.729 13.981 1.00 0.00 C ATOM 1214 O LEU A 74 -0.045 31.711 13.390 1.00 0.00 O ATOM 1215 CB LEU A 74 1.564 34.422 12.669 1.00 0.00 C ATOM 1216 CG LEU A 74 1.365 35.358 11.471 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.541 36.579 11.877 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.729 35.817 10.950 1.00 0.00 C ATOM 0 H LEU A 74 0.412 35.905 14.302 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.533 34.016 12.492 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.202 34.899 13.412 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.071 33.512 12.350 1.00 0.00 H new ATOM 0 HG LEU A 74 0.832 34.817 10.689 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.410 37.232 11.015 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.435 36.255 12.239 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.060 37.121 12.667 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.588 36.482 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.261 36.347 11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.311 34.949 10.640 1.00 0.00 H new ATOM 1230 N ASN A 75 0.725 32.715 15.232 1.00 0.00 N ATOM 1231 CA ASN A 75 0.813 31.459 15.954 1.00 0.00 C ATOM 1232 C ASN A 75 -0.556 30.791 15.982 1.00 0.00 C ATOM 1233 O ASN A 75 -0.672 29.591 15.723 1.00 0.00 O ATOM 1234 CB ASN A 75 1.319 31.702 17.375 1.00 0.00 C ATOM 1235 CG ASN A 75 2.738 32.252 17.311 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.453 32.007 16.339 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.188 32.989 18.285 1.00 0.00 N ATOM 0 H ASN A 75 1.015 33.540 15.758 1.00 0.00 H new ATOM 0 HA ASN A 75 1.519 30.801 15.447 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.666 32.405 17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.301 30.773 17.945 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.135 33.365 18.244 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.593 33.190 19.089 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.600 31.572 16.264 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.949 31.012 16.277 1.00 0.00 C ATOM 1246 C GLU A 76 -3.343 30.584 14.869 1.00 0.00 C ATOM 1247 O GLU A 76 -3.964 29.541 14.678 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.969 32.022 16.809 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.735 32.251 18.300 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.861 33.100 18.878 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.569 33.722 18.103 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -5.000 33.117 20.091 1.00 0.00 O ATOM 0 H GLU A 76 -1.541 32.567 16.481 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.947 30.148 16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.879 32.964 16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.981 31.654 16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.685 31.294 18.820 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.777 32.748 18.454 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.964 31.388 13.882 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.278 31.060 12.497 1.00 0.00 C ATOM 1261 C GLN A 77 -2.445 29.863 12.069 1.00 0.00 C ATOM 1262 O GLN A 77 -2.902 29.002 11.319 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.975 32.257 11.587 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.263 32.728 10.903 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.168 33.409 11.922 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.683 34.086 12.828 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -6.463 33.275 11.827 1.00 0.00 N ATOM 0 H GLN A 77 -2.447 32.258 14.011 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.338 30.820 12.414 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.544 33.070 12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.235 31.977 10.837 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.025 33.420 10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.779 31.879 10.454 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.864 32.714 11.076 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.074 33.732 12.504 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.218 29.811 12.569 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.327 28.710 12.250 1.00 0.00 C ATOM 1278 C TRP A 78 -1.004 27.397 12.616 1.00 0.00 C ATOM 1279 O TRP A 78 -0.969 26.433 11.855 1.00 0.00 O ATOM 1280 CB TRP A 78 0.983 28.854 13.025 1.00 0.00 C ATOM 1281 CG TRP A 78 2.103 28.297 12.212 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.313 26.985 11.978 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.168 29.015 11.526 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.448 26.845 11.199 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.011 28.071 10.892 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.484 30.380 11.398 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.129 28.472 10.159 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.608 30.784 10.661 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.427 29.832 10.041 1.00 0.00 C ATOM 0 H TRP A 78 -0.821 30.514 13.192 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.104 28.721 11.183 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.171 29.903 13.252 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.914 28.329 13.978 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.696 26.176 12.340 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.823 25.949 10.889 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.857 31.122 11.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.761 27.735 9.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.843 31.834 10.572 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.288 30.149 9.472 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.642 27.381 13.788 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.353 26.196 14.250 1.00 0.00 C ATOM 1302 C ASN A 79 -3.535 25.904 13.324 1.00 0.00 C ATOM 1303 O ASN A 79 -3.853 24.746 13.047 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.861 26.419 15.679 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.691 26.737 16.604 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.592 26.219 16.413 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.862 27.560 17.603 1.00 0.00 N ATOM 0 H ASN A 79 -1.679 28.173 14.429 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.671 25.346 14.239 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.581 27.238 15.694 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.383 25.529 16.031 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.084 27.774 18.226 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.774 27.989 17.760 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.178 26.968 12.851 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.324 26.832 11.952 1.00 0.00 C ATOM 1316 C LYS A 80 -4.921 26.187 10.631 1.00 0.00 C ATOM 1317 O LYS A 80 -5.703 25.460 10.018 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.936 28.204 11.662 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.564 28.769 12.933 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.303 30.064 12.597 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.189 30.455 13.777 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.005 29.276 14.182 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.927 27.931 13.073 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.054 26.194 12.450 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.169 28.884 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.690 28.118 10.880 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.254 28.044 13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.793 28.960 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.589 30.859 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.908 29.930 11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.576 30.793 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.839 31.286 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.895 29.601 14.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.216 28.696 13.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.475 28.708 14.873 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.710 26.484 10.183 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.228 25.952 8.922 1.00 0.00 C ATOM 1338 C ASP A 81 -1.843 25.332 9.079 1.00 0.00 C ATOM 1339 O ASP A 81 -1.774 24.141 9.327 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.178 27.086 7.906 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.496 28.303 8.521 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.550 28.115 9.270 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.925 29.407 8.234 1.00 0.00 O ATOM 1344 OXT ASP A 81 -0.869 26.055 8.944 1.00 0.00 O ATOM 0 H ASP A 81 -3.048 27.087 10.672 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.905 25.168 8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.636 26.765 7.016 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.188 27.346 7.588 1.00 0.00 H new