USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=15 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 72 HIS :FLIP no HD1:sc= 0.383 F(o=-2.2,f=0.81) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -129:sc= 0.424 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -2.13! C(o=-3.8!,f=-14!) USER MOD Set 2.2: A 75 ASN :FLIP amide:sc= -1.67 F(o=-6.1!,f=-3.8) USER MOD Single : A 8 LYS NZ :NH3+ -118:sc= 0 (180deg=-1.37!) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.552 USER MOD Single : A 15 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.7) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.626 F(o=-2.5!,f=-0.63) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.27) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 LYS NZ :NH3+ -137:sc= 0.263 (180deg=-0.0195) USER MOD Single : A 45 ASN : amide:sc= -12.8! C(o=-13!,f=-19!) USER MOD Single : A 46 GLN : amide:sc= -4.12! C(o=-4.1!,f=-5.1!) USER MOD Single : A 51 HIS : no HE2:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -2.01! C(o=-2!,f=-12!) USER MOD Single : A 60 MET CE :methyl -120:sc= -0.363 (180deg=-1.25) USER MOD Single : A 61 CYS SG : rot -82:sc= 0.284 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 152:sc= 0.867 (180deg=-0.744) USER MOD Single : A 66 SER OG : rot -139:sc= -1.52 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 79 ASN : amide:sc= -4.36! C(o=-4.4!,f=-5.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.764 50.862 2.313 1.00 0.00 N ATOM 93 CA LYS A 8 4.004 49.430 2.414 1.00 0.00 C ATOM 94 C LYS A 8 5.484 49.146 2.654 1.00 0.00 C ATOM 95 O LYS A 8 6.335 50.016 2.470 1.00 0.00 O ATOM 96 CB LYS A 8 3.553 48.730 1.132 1.00 0.00 C ATOM 97 CG LYS A 8 4.505 49.097 -0.008 1.00 0.00 C ATOM 98 CD LYS A 8 4.009 48.472 -1.313 1.00 0.00 C ATOM 99 CE LYS A 8 4.181 46.952 -1.252 1.00 0.00 C ATOM 100 NZ LYS A 8 3.991 46.379 -2.613 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.430 49.048 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.542 47.650 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.535 49.028 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.564 50.180 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.511 48.743 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.961 48.723 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.566 48.878 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.173 46.702 -0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.458 46.520 -0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.175 45.734 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.820 47.148 -3.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.845 45.855 -2.891 1.00 0.00 H new ATOM 114 N PHE A 9 5.779 47.919 3.069 1.00 0.00 N ATOM 115 CA PHE A 9 7.154 47.516 3.337 1.00 0.00 C ATOM 116 C PHE A 9 7.890 47.188 2.047 1.00 0.00 C ATOM 117 O PHE A 9 7.311 46.639 1.109 1.00 0.00 O ATOM 118 CB PHE A 9 7.165 46.291 4.252 1.00 0.00 C ATOM 119 CG PHE A 9 6.776 46.707 5.648 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.761 47.139 6.544 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.435 46.661 6.050 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.407 47.528 7.839 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.081 47.051 7.348 1.00 0.00 C ATOM 124 CZ PHE A 9 6.068 47.483 8.243 1.00 0.00 C ATOM 0 H PHE A 9 5.086 47.188 3.227 1.00 0.00 H new ATOM 0 HA PHE A 9 7.662 48.348 3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.471 45.538 3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.156 45.837 4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.795 47.172 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.675 46.325 5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.168 47.864 8.528 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.047 47.019 7.659 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.796 47.781 9.245 1.00 0.00 H new ATOM 134 N THR A 10 9.176 47.517 2.014 1.00 0.00 N ATOM 135 CA THR A 10 9.990 47.241 0.839 1.00 0.00 C ATOM 136 C THR A 10 10.492 45.810 0.890 1.00 0.00 C ATOM 137 O THR A 10 10.506 45.189 1.951 1.00 0.00 O ATOM 138 CB THR A 10 11.190 48.187 0.791 1.00 0.00 C ATOM 139 OG1 THR A 10 12.019 47.949 1.919 1.00 0.00 O ATOM 140 CG2 THR A 10 10.705 49.637 0.798 1.00 0.00 C ATOM 0 H THR A 10 9.673 47.971 2.780 1.00 0.00 H new ATOM 0 HA THR A 10 9.378 47.389 -0.051 1.00 0.00 H new ATOM 0 HB THR A 10 11.759 48.009 -0.121 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.791 48.552 1.891 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.563 50.308 0.764 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.072 49.813 -0.072 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.134 49.825 1.707 1.00 0.00 H new ATOM 148 N ASP A 11 10.910 45.290 -0.253 1.00 0.00 N ATOM 149 CA ASP A 11 11.418 43.930 -0.300 1.00 0.00 C ATOM 150 C ASP A 11 12.544 43.764 0.713 1.00 0.00 C ATOM 151 O ASP A 11 12.643 42.731 1.375 1.00 0.00 O ATOM 152 CB ASP A 11 11.917 43.602 -1.709 1.00 0.00 C ATOM 153 CG ASP A 11 10.730 43.453 -2.656 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.613 43.390 -2.168 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.954 43.404 -3.854 1.00 0.00 O1- ATOM 0 H ASP A 11 10.908 45.781 -1.147 1.00 0.00 H new ATOM 0 HA ASP A 11 10.613 43.240 -0.048 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.580 44.392 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.499 42.681 -1.693 1.00 0.00 H new ATOM 160 N ASP A 12 13.380 44.795 0.842 1.00 0.00 N ATOM 161 CA ASP A 12 14.485 44.755 1.794 1.00 0.00 C ATOM 162 C ASP A 12 13.953 44.681 3.216 1.00 0.00 C ATOM 163 O ASP A 12 14.388 43.851 4.011 1.00 0.00 O ATOM 164 CB ASP A 12 15.364 46.000 1.639 1.00 0.00 C ATOM 165 CG ASP A 12 16.170 45.915 0.347 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.288 44.822 -0.182 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.664 46.941 -0.090 1.00 0.00 O ATOM 0 H ASP A 12 13.313 45.659 0.304 1.00 0.00 H new ATOM 0 HA ASP A 12 15.083 43.867 1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.742 46.895 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.037 46.088 2.492 1.00 0.00 H new ATOM 172 N GLU A 13 12.994 45.543 3.522 1.00 0.00 N ATOM 173 CA GLU A 13 12.391 45.555 4.847 1.00 0.00 C ATOM 174 C GLU A 13 11.600 44.278 5.057 1.00 0.00 C ATOM 175 O GLU A 13 11.573 43.710 6.148 1.00 0.00 O ATOM 176 CB GLU A 13 11.448 46.745 4.970 1.00 0.00 C ATOM 177 CG GLU A 13 12.249 48.047 4.967 1.00 0.00 C ATOM 178 CD GLU A 13 13.243 48.054 6.124 1.00 0.00 C ATOM 179 OE1 GLU A 13 13.020 47.324 7.076 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.215 48.786 6.038 1.00 0.00 O1- ATOM 0 H GLU A 13 12.619 46.238 2.877 1.00 0.00 H new ATOM 0 HA GLU A 13 13.179 45.630 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.737 46.743 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.868 46.667 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.780 48.154 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.574 48.899 5.052 1.00 0.00 H new ATOM 187 N TRP A 14 10.952 43.836 3.994 1.00 0.00 N ATOM 188 CA TRP A 14 10.157 42.634 4.047 1.00 0.00 C ATOM 189 C TRP A 14 11.044 41.442 4.358 1.00 0.00 C ATOM 190 O TRP A 14 10.744 40.662 5.258 1.00 0.00 O ATOM 191 CB TRP A 14 9.463 42.446 2.702 1.00 0.00 C ATOM 192 CG TRP A 14 8.210 41.654 2.868 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.913 40.544 2.161 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.084 41.887 3.767 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.668 40.083 2.555 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.122 40.875 3.544 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.800 42.868 4.738 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.926 40.834 4.258 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.596 42.826 5.458 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.662 41.811 5.219 1.00 0.00 C ATOM 0 H TRP A 14 10.964 44.297 3.084 1.00 0.00 H new ATOM 0 HA TRP A 14 9.407 42.717 4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.231 43.418 2.267 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.133 41.938 2.008 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.543 40.089 1.411 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.211 39.260 2.163 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.513 43.657 4.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.207 40.050 4.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.389 43.582 6.201 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.738 41.784 5.778 1.00 0.00 H new ATOM 211 N ASN A 15 12.143 41.305 3.620 1.00 0.00 N ATOM 212 CA ASN A 15 13.056 40.191 3.845 1.00 0.00 C ATOM 213 C ASN A 15 13.491 40.159 5.302 1.00 0.00 C ATOM 214 O ASN A 15 13.603 39.095 5.910 1.00 0.00 O ATOM 215 CB ASN A 15 14.291 40.346 2.963 1.00 0.00 C ATOM 216 CG ASN A 15 13.907 40.270 1.489 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.855 39.730 1.146 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.704 40.782 0.592 1.00 0.00 N ATOM 0 H ASN A 15 12.419 41.942 2.872 1.00 0.00 H new ATOM 0 HA ASN A 15 12.540 39.263 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.776 41.300 3.170 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.013 39.564 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.456 40.736 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.575 41.229 0.879 1.00 0.00 H new ATOM 225 N GLN A 16 13.717 41.339 5.854 1.00 0.00 N ATOM 226 CA GLN A 16 14.120 41.448 7.246 1.00 0.00 C ATOM 227 C GLN A 16 12.991 40.916 8.116 1.00 0.00 C ATOM 228 O GLN A 16 13.216 40.168 9.069 1.00 0.00 O ATOM 229 CB GLN A 16 14.408 42.912 7.580 1.00 0.00 C ATOM 230 CG GLN A 16 15.614 43.383 6.765 1.00 0.00 C ATOM 231 CD GLN A 16 15.734 44.901 6.833 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.492 45.610 5.763 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.051 45.455 7.886 1.00 0.00 N flip ATOM 0 H GLN A 16 13.629 42.229 5.364 1.00 0.00 H new ATOM 0 HA GLN A 16 15.025 40.868 7.428 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.537 43.528 7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.608 43.022 8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.524 42.921 7.148 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.508 43.065 5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.239 44.897 8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.125 46.472 7.925 1.00 0.00 H new ATOM 242 N LEU A 17 11.769 41.300 7.760 1.00 0.00 N ATOM 243 CA LEU A 17 10.594 40.848 8.487 1.00 0.00 C ATOM 244 C LEU A 17 10.481 39.334 8.408 1.00 0.00 C ATOM 245 O LEU A 17 10.081 38.682 9.373 1.00 0.00 O ATOM 246 CB LEU A 17 9.324 41.470 7.897 1.00 0.00 C ATOM 247 CG LEU A 17 8.105 40.990 8.694 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.066 41.690 10.051 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.825 41.313 7.922 1.00 0.00 C ATOM 0 H LEU A 17 11.570 41.921 6.975 1.00 0.00 H new ATOM 0 HA LEU A 17 10.699 41.158 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.389 42.558 7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.221 41.189 6.849 1.00 0.00 H new ATOM 0 HG LEU A 17 8.179 39.913 8.843 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.198 41.346 10.613 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.974 41.457 10.607 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.998 42.768 9.903 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.961 40.971 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.755 42.390 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.846 40.809 6.956 1.00 0.00 H new ATOM 261 N LYS A 18 10.825 38.774 7.252 1.00 0.00 N ATOM 262 CA LYS A 18 10.743 37.335 7.074 1.00 0.00 C ATOM 263 C LYS A 18 11.625 36.632 8.094 1.00 0.00 C ATOM 264 O LYS A 18 11.215 35.652 8.712 1.00 0.00 O ATOM 265 CB LYS A 18 11.194 36.941 5.663 1.00 0.00 C ATOM 266 CG LYS A 18 10.305 37.622 4.622 1.00 0.00 C ATOM 267 CD LYS A 18 10.595 37.031 3.245 1.00 0.00 C ATOM 268 CE LYS A 18 9.941 37.892 2.167 1.00 0.00 C ATOM 269 NZ LYS A 18 9.784 37.090 0.920 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.158 39.289 6.437 1.00 0.00 H new ATOM 0 HA LYS A 18 9.706 37.032 7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.234 37.230 5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.143 35.859 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.255 37.481 4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.490 38.696 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.671 36.980 3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.215 36.011 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.969 38.246 2.509 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.551 38.774 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.339 37.675 0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.718 36.773 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.185 36.262 1.113 1.00 0.00 H new ATOM 283 N GLN A 19 12.843 37.135 8.264 1.00 0.00 N ATOM 284 CA GLN A 19 13.766 36.531 9.210 1.00 0.00 C ATOM 285 C GLN A 19 13.195 36.577 10.620 1.00 0.00 C ATOM 286 O GLN A 19 13.273 35.594 11.355 1.00 0.00 O ATOM 287 CB GLN A 19 15.109 37.261 9.177 1.00 0.00 C ATOM 288 CG GLN A 19 15.724 37.126 7.786 1.00 0.00 C ATOM 289 CD GLN A 19 15.873 35.653 7.432 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.491 34.894 8.178 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.334 35.198 6.337 1.00 0.00 N ATOM 0 H GLN A 19 13.208 37.947 7.766 1.00 0.00 H new ATOM 0 HA GLN A 19 13.915 35.490 8.924 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.970 38.313 9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.781 36.843 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.094 37.625 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.697 37.617 7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.822 35.829 5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.424 34.211 6.096 1.00 0.00 H new ATOM 300 N ASP A 20 12.619 37.716 10.993 1.00 0.00 N ATOM 301 CA ASP A 20 12.042 37.859 12.322 1.00 0.00 C ATOM 302 C ASP A 20 10.937 36.834 12.540 1.00 0.00 C ATOM 303 O ASP A 20 10.856 36.210 13.598 1.00 0.00 O ATOM 304 CB ASP A 20 11.469 39.265 12.491 1.00 0.00 C ATOM 305 CG ASP A 20 12.596 40.292 12.545 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.709 39.906 12.862 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.327 41.452 12.278 1.00 0.00 O ATOM 0 H ASP A 20 12.541 38.543 10.401 1.00 0.00 H new ATOM 0 HA ASP A 20 12.829 37.693 13.058 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.798 39.494 11.663 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.877 39.316 13.404 1.00 0.00 H new ATOM 312 N PHE A 21 10.092 36.659 11.532 1.00 0.00 N ATOM 313 CA PHE A 21 8.999 35.701 11.627 1.00 0.00 C ATOM 314 C PHE A 21 9.558 34.294 11.744 1.00 0.00 C ATOM 315 O PHE A 21 9.153 33.513 12.603 1.00 0.00 O ATOM 316 CB PHE A 21 8.111 35.807 10.388 1.00 0.00 C ATOM 317 CG PHE A 21 7.161 36.975 10.534 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.544 38.121 11.246 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.890 36.908 9.955 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.657 39.195 11.374 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.003 37.982 10.083 1.00 0.00 C ATOM 322 CZ PHE A 21 5.386 39.125 10.793 1.00 0.00 C ATOM 0 H PHE A 21 10.141 37.163 10.647 1.00 0.00 H new ATOM 0 HA PHE A 21 8.403 35.922 12.513 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.727 35.937 9.498 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.548 34.884 10.253 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.524 38.174 11.696 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.593 36.026 9.408 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.953 40.078 11.921 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.022 37.929 9.634 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.700 39.954 10.893 1.00 0.00 H new ATOM 332 N ILE A 22 10.514 33.995 10.885 1.00 0.00 N ATOM 333 CA ILE A 22 11.157 32.697 10.902 1.00 0.00 C ATOM 334 C ILE A 22 11.787 32.460 12.276 1.00 0.00 C ATOM 335 O ILE A 22 11.601 31.406 12.885 1.00 0.00 O ATOM 336 CB ILE A 22 12.212 32.652 9.798 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.514 32.772 8.438 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.970 31.330 9.864 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.528 33.168 7.361 1.00 0.00 C ATOM 0 H ILE A 22 10.861 34.633 10.168 1.00 0.00 H new ATOM 0 HA ILE A 22 10.427 31.908 10.721 1.00 0.00 H new ATOM 0 HB ILE A 22 12.915 33.474 9.929 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.045 31.824 8.176 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.720 33.516 8.492 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.722 31.302 9.075 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.459 31.239 10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.272 30.503 9.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.023 33.251 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.977 34.127 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.307 32.408 7.298 1.00 0.00 H new ATOM 351 N SER A 23 12.529 33.455 12.760 1.00 0.00 N ATOM 352 CA SER A 23 13.174 33.351 14.068 1.00 0.00 C ATOM 353 C SER A 23 12.135 33.087 15.157 1.00 0.00 C ATOM 354 O SER A 23 12.346 32.260 16.043 1.00 0.00 O ATOM 355 CB SER A 23 13.924 34.646 14.391 1.00 0.00 C ATOM 356 OG SER A 23 14.574 34.512 15.648 1.00 0.00 O ATOM 0 H SER A 23 12.698 34.334 12.272 1.00 0.00 H new ATOM 0 HA SER A 23 13.879 32.520 14.036 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.655 34.860 13.612 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.229 35.486 14.416 1.00 0.00 H new ATOM 0 HG SER A 23 15.056 35.339 15.857 1.00 0.00 H new ATOM 362 N GLY A 24 11.012 33.796 15.080 1.00 0.00 N ATOM 363 CA GLY A 24 9.943 33.633 16.060 1.00 0.00 C ATOM 364 C GLY A 24 9.424 32.200 16.077 1.00 0.00 C ATOM 365 O GLY A 24 9.076 31.669 17.132 1.00 0.00 O ATOM 0 H GLY A 24 10.819 34.485 14.353 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.310 33.901 17.051 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.126 34.316 15.827 1.00 0.00 H new ATOM 369 N ILE A 25 9.367 31.580 14.904 1.00 0.00 N ATOM 370 CA ILE A 25 8.877 30.210 14.803 1.00 0.00 C ATOM 371 C ILE A 25 9.872 29.226 15.411 1.00 0.00 C ATOM 372 O ILE A 25 9.471 28.261 16.059 1.00 0.00 O ATOM 373 CB ILE A 25 8.617 29.856 13.337 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.529 30.779 12.775 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.160 28.402 13.226 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.166 30.427 13.390 1.00 0.00 C ATOM 0 H ILE A 25 9.651 31.998 14.018 1.00 0.00 H new ATOM 0 HA ILE A 25 7.944 30.138 15.362 1.00 0.00 H new ATOM 0 HB ILE A 25 9.537 29.986 12.768 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.776 31.818 12.991 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.483 30.681 11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.977 28.157 12.180 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.935 27.746 13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.242 28.265 13.797 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.401 31.089 12.983 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.915 29.393 13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.213 30.548 14.472 1.00 0.00 H new ATOM 388 N LEU A 26 11.167 29.476 15.224 1.00 0.00 N ATOM 389 CA LEU A 26 12.182 28.593 15.793 1.00 0.00 C ATOM 390 C LEU A 26 12.395 28.928 17.263 1.00 0.00 C ATOM 391 O LEU A 26 12.815 28.081 18.051 1.00 0.00 O ATOM 392 CB LEU A 26 13.503 28.688 15.012 1.00 0.00 C ATOM 393 CG LEU A 26 14.456 29.712 15.649 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.040 29.161 16.956 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.602 29.990 14.671 1.00 0.00 C ATOM 0 H LEU A 26 11.533 30.267 14.694 1.00 0.00 H new ATOM 0 HA LEU A 26 11.829 27.565 15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.983 27.710 14.984 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.298 28.972 13.980 1.00 0.00 H new ATOM 0 HG LEU A 26 13.905 30.627 15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.712 29.899 17.394 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.231 28.948 17.655 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.592 28.244 16.750 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.287 30.716 15.110 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.138 29.063 14.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.198 30.389 13.741 1.00 0.00 H new ATOM 407 N GLU A 27 12.095 30.169 17.629 1.00 0.00 N ATOM 408 CA GLU A 27 12.246 30.605 19.010 1.00 0.00 C ATOM 409 C GLU A 27 11.178 29.957 19.889 1.00 0.00 C ATOM 410 O GLU A 27 11.441 29.589 21.034 1.00 0.00 O ATOM 411 CB GLU A 27 12.125 32.129 19.086 1.00 0.00 C ATOM 412 CG GLU A 27 12.358 32.591 20.524 1.00 0.00 C ATOM 413 CD GLU A 27 11.027 32.690 21.261 1.00 0.00 C ATOM 414 OE1 GLU A 27 10.175 33.438 20.808 1.00 0.00 O ATOM 415 OE2 GLU A 27 10.878 32.018 22.267 1.00 0.00 O1- ATOM 0 H GLU A 27 11.748 30.886 16.992 1.00 0.00 H new ATOM 0 HA GLU A 27 13.229 30.302 19.370 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.852 32.595 18.421 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.137 32.443 18.748 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.017 31.891 21.038 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.858 33.560 20.527 1.00 0.00 H new ATOM 422 N ASN A 28 9.974 29.814 19.340 1.00 0.00 N ATOM 423 CA ASN A 28 8.873 29.202 20.079 1.00 0.00 C ATOM 424 C ASN A 28 8.848 27.694 19.858 1.00 0.00 C ATOM 425 O ASN A 28 9.275 27.198 18.816 1.00 0.00 O ATOM 426 CB ASN A 28 7.537 29.798 19.629 1.00 0.00 C ATOM 427 CG ASN A 28 7.471 31.273 19.993 1.00 0.00 C ATOM 428 OD1 ASN A 28 7.963 31.677 21.047 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.888 32.107 19.180 1.00 0.00 N ATOM 0 H ASN A 28 9.737 30.111 18.393 1.00 0.00 H new ATOM 0 HA ASN A 28 9.025 29.405 21.139 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.420 29.676 18.552 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.714 29.262 20.101 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.838 33.098 19.416 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.481 31.769 18.308 1.00 0.00 H new ATOM 436 N GLU A 29 8.336 26.969 20.842 1.00 0.00 N ATOM 437 CA GLU A 29 8.250 25.520 20.736 1.00 0.00 C ATOM 438 C GLU A 29 7.442 25.142 19.499 1.00 0.00 C ATOM 439 O GLU A 29 7.536 24.023 18.993 1.00 0.00 O ATOM 440 CB GLU A 29 7.563 24.953 21.974 1.00 0.00 C ATOM 441 CG GLU A 29 7.698 23.430 21.983 1.00 0.00 C ATOM 442 CD GLU A 29 6.895 22.846 23.140 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.132 23.587 23.738 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.058 21.669 23.416 1.00 0.00 O1- ATOM 0 H GLU A 29 7.977 27.356 21.715 1.00 0.00 H new ATOM 0 HA GLU A 29 9.256 25.109 20.656 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.010 25.373 22.875 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.510 25.235 21.979 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.343 23.019 21.038 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.747 23.149 22.078 1.00 0.00 H new ATOM 451 N GLN A 30 6.633 26.086 19.036 1.00 0.00 N ATOM 452 CA GLN A 30 5.784 25.863 17.872 1.00 0.00 C ATOM 453 C GLN A 30 6.613 25.478 16.650 1.00 0.00 C ATOM 454 O GLN A 30 6.072 24.994 15.656 1.00 0.00 O ATOM 455 CB GLN A 30 4.981 27.129 17.588 1.00 0.00 C ATOM 456 CG GLN A 30 4.136 27.453 18.822 1.00 0.00 C ATOM 457 CD GLN A 30 3.391 28.765 18.626 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.757 29.569 17.770 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.361 29.029 19.378 1.00 0.00 N ATOM 0 H GLN A 30 6.546 27.015 19.449 1.00 0.00 H new ATOM 0 HA GLN A 30 5.106 25.037 18.085 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.650 27.958 17.358 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.341 26.985 16.718 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.425 26.648 19.005 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.776 27.519 19.702 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.062 28.359 20.086 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.854 29.906 19.259 1.00 0.00 H new ATOM 468 N LYS A 31 7.923 25.683 16.733 1.00 0.00 N ATOM 469 CA LYS A 31 8.808 25.333 15.629 1.00 0.00 C ATOM 470 C LYS A 31 8.552 23.886 15.227 1.00 0.00 C ATOM 471 O LYS A 31 8.741 23.494 14.075 1.00 0.00 O ATOM 472 CB LYS A 31 10.266 25.498 16.067 1.00 0.00 C ATOM 473 CG LYS A 31 10.714 24.262 16.855 1.00 0.00 C ATOM 474 CD LYS A 31 12.122 24.488 17.417 1.00 0.00 C ATOM 475 CE LYS A 31 12.037 25.323 18.698 1.00 0.00 C ATOM 476 NZ LYS A 31 13.403 25.504 19.268 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.392 26.086 17.545 1.00 0.00 H new ATOM 0 HA LYS A 31 8.615 25.989 14.780 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.904 25.635 15.194 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.372 26.391 16.683 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.015 24.064 17.668 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.707 23.385 16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.599 23.530 17.626 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.741 24.998 16.679 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.590 26.294 18.483 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.391 24.829 19.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.369 25.371 20.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.049 24.805 18.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.744 26.463 19.053 1.00 0.00 H new ATOM 490 N ASP A 32 8.109 23.103 16.197 1.00 0.00 N ATOM 491 CA ASP A 32 7.807 21.700 15.966 1.00 0.00 C ATOM 492 C ASP A 32 6.773 21.549 14.855 1.00 0.00 C ATOM 493 O ASP A 32 6.813 20.593 14.081 1.00 0.00 O ATOM 494 CB ASP A 32 7.270 21.079 17.257 1.00 0.00 C ATOM 495 CG ASP A 32 8.400 20.923 18.269 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.539 21.150 17.896 1.00 0.00 O ATOM 497 OD2 ASP A 32 8.109 20.580 19.403 1.00 0.00 O1- ATOM 0 H ASP A 32 7.950 23.416 17.155 1.00 0.00 H new ATOM 0 HA ASP A 32 8.720 21.188 15.661 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.482 21.708 17.673 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.824 20.107 17.045 1.00 0.00 H new ATOM 502 N LEU A 33 5.845 22.498 14.790 1.00 0.00 N ATOM 503 CA LEU A 33 4.796 22.463 13.780 1.00 0.00 C ATOM 504 C LEU A 33 5.385 22.557 12.378 1.00 0.00 C ATOM 505 O LEU A 33 4.978 21.823 11.479 1.00 0.00 O ATOM 506 CB LEU A 33 3.830 23.630 13.991 1.00 0.00 C ATOM 507 CG LEU A 33 3.363 23.661 15.447 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.425 24.852 15.654 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.618 22.365 15.777 1.00 0.00 C ATOM 0 H LEU A 33 5.799 23.297 15.422 1.00 0.00 H new ATOM 0 HA LEU A 33 4.266 21.516 13.879 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.320 24.570 13.737 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.972 23.528 13.327 1.00 0.00 H new ATOM 0 HG LEU A 33 4.229 23.757 16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.091 24.876 16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.954 25.776 15.422 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.561 24.753 14.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.287 22.390 16.815 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.752 22.266 15.122 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.284 21.515 15.629 1.00 0.00 H new ATOM 521 N VAL A 34 6.335 23.469 12.187 1.00 0.00 N ATOM 522 CA VAL A 34 6.938 23.634 10.873 1.00 0.00 C ATOM 523 C VAL A 34 7.693 22.379 10.457 1.00 0.00 C ATOM 524 O VAL A 34 7.705 22.021 9.279 1.00 0.00 O ATOM 525 CB VAL A 34 7.869 24.858 10.828 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.106 24.646 11.709 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.314 25.075 9.382 1.00 0.00 C ATOM 0 H VAL A 34 6.696 24.092 12.910 1.00 0.00 H new ATOM 0 HA VAL A 34 6.127 23.802 10.164 1.00 0.00 H new ATOM 0 HB VAL A 34 7.328 25.727 11.204 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.745 25.527 11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.794 24.484 12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.659 23.776 11.356 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.976 25.940 9.331 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.844 24.191 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.440 25.249 8.755 1.00 0.00 H new ATOM 537 N ALA A 35 8.322 21.716 11.420 1.00 0.00 N ATOM 538 CA ALA A 35 9.076 20.506 11.121 1.00 0.00 C ATOM 539 C ALA A 35 8.151 19.429 10.574 1.00 0.00 C ATOM 540 O ALA A 35 8.499 18.725 9.621 1.00 0.00 O ATOM 541 CB ALA A 35 9.776 19.997 12.384 1.00 0.00 C ATOM 0 H ALA A 35 8.325 21.991 12.402 1.00 0.00 H new ATOM 0 HA ALA A 35 9.827 20.742 10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.337 19.092 12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.459 20.761 12.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.031 19.774 13.148 1.00 0.00 H new ATOM 689 N ASN A 45 11.555 26.213 8.230 1.00 0.00 N ATOM 690 CA ASN A 45 10.677 27.350 8.466 1.00 0.00 C ATOM 691 C ASN A 45 9.746 27.552 7.281 1.00 0.00 C ATOM 692 O ASN A 45 8.911 28.451 7.288 1.00 0.00 O ATOM 693 CB ASN A 45 11.505 28.615 8.705 1.00 0.00 C ATOM 694 CG ASN A 45 12.063 29.133 7.386 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.320 29.293 6.418 1.00 0.00 O ATOM 696 ND2 ASN A 45 13.336 29.404 7.289 1.00 0.00 N ATOM 0 HA ASN A 45 10.076 27.149 9.353 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.886 29.381 9.173 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.321 28.400 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.718 29.750 6.409 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.949 29.270 8.093 1.00 0.00 H new ATOM 703 N GLN A 46 9.888 26.696 6.274 1.00 0.00 N ATOM 704 CA GLN A 46 9.047 26.775 5.089 1.00 0.00 C ATOM 705 C GLN A 46 9.273 28.078 4.346 1.00 0.00 C ATOM 706 O GLN A 46 8.323 28.746 3.953 1.00 0.00 O ATOM 707 CB GLN A 46 7.579 26.675 5.485 1.00 0.00 C ATOM 708 CG GLN A 46 7.330 25.324 6.144 1.00 0.00 C ATOM 709 CD GLN A 46 5.994 25.342 6.877 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.804 24.602 7.841 1.00 0.00 O ATOM 711 NE2 GLN A 46 5.047 26.142 6.471 1.00 0.00 N ATOM 0 H GLN A 46 10.576 25.943 6.256 1.00 0.00 H new ATOM 0 HA GLN A 46 9.312 25.946 4.433 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.319 27.481 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.944 26.787 4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.330 24.537 5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.135 25.097 6.843 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.205 26.755 5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.148 26.154 6.953 1.00 0.00 H new ATOM 720 N LEU A 47 10.527 28.439 4.149 1.00 0.00 N ATOM 721 CA LEU A 47 10.822 29.672 3.439 1.00 0.00 C ATOM 722 C LEU A 47 9.910 29.780 2.220 1.00 0.00 C ATOM 723 O LEU A 47 9.273 30.805 1.991 1.00 0.00 O ATOM 724 CB LEU A 47 12.288 29.686 2.994 1.00 0.00 C ATOM 725 CG LEU A 47 13.205 29.689 4.222 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.643 29.394 3.792 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.157 31.062 4.897 1.00 0.00 C ATOM 0 H LEU A 47 11.342 27.911 4.462 1.00 0.00 H new ATOM 0 HA LEU A 47 10.650 30.520 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.498 28.814 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.483 30.566 2.381 1.00 0.00 H new ATOM 0 HG LEU A 47 12.867 28.924 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.292 29.397 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.686 28.417 3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.977 30.158 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.810 31.061 5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.492 31.825 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.135 31.279 5.208 1.00 0.00 H new ATOM 739 N ASP A 48 9.858 28.707 1.444 1.00 0.00 N ATOM 740 CA ASP A 48 9.038 28.674 0.238 1.00 0.00 C ATOM 741 C ASP A 48 7.560 28.953 0.526 1.00 0.00 C ATOM 742 O ASP A 48 7.002 29.937 0.036 1.00 0.00 O ATOM 743 CB ASP A 48 9.160 27.295 -0.409 1.00 0.00 C ATOM 744 CG ASP A 48 8.295 27.231 -1.662 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.632 28.213 -1.949 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.306 26.200 -2.314 1.00 0.00 O1- ATOM 0 H ASP A 48 10.374 27.846 1.627 1.00 0.00 H new ATOM 0 HA ASP A 48 9.401 29.458 -0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.201 27.094 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.851 26.524 0.297 1.00 0.00 H new ATOM 751 N LEU A 49 6.929 28.090 1.315 1.00 0.00 N ATOM 752 CA LEU A 49 5.512 28.276 1.631 1.00 0.00 C ATOM 753 C LEU A 49 5.310 29.478 2.548 1.00 0.00 C ATOM 754 O LEU A 49 4.342 30.224 2.399 1.00 0.00 O ATOM 755 CB LEU A 49 4.923 27.023 2.286 1.00 0.00 C ATOM 756 CG LEU A 49 5.245 25.795 1.435 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.537 24.572 2.021 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.762 26.023 0.000 1.00 0.00 C ATOM 0 H LEU A 49 7.362 27.271 1.741 1.00 0.00 H new ATOM 0 HA LEU A 49 4.991 28.458 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.332 26.899 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.844 27.130 2.393 1.00 0.00 H new ATOM 0 HG LEU A 49 6.322 25.628 1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.765 23.695 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.880 24.407 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.460 24.741 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.993 25.146 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.685 26.190 0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.264 26.895 -0.419 1.00 0.00 H new ATOM 770 N LEU A 50 6.218 29.658 3.505 1.00 0.00 N ATOM 771 CA LEU A 50 6.099 30.772 4.438 1.00 0.00 C ATOM 772 C LEU A 50 6.118 32.088 3.675 1.00 0.00 C ATOM 773 O LEU A 50 5.301 32.971 3.929 1.00 0.00 O ATOM 774 CB LEU A 50 7.260 30.748 5.440 1.00 0.00 C ATOM 775 CG LEU A 50 6.908 31.596 6.669 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.027 31.488 7.707 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.745 33.063 6.267 1.00 0.00 C ATOM 0 H LEU A 50 7.030 29.058 3.652 1.00 0.00 H new ATOM 0 HA LEU A 50 5.157 30.678 4.978 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.469 29.722 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.165 31.132 4.970 1.00 0.00 H new ATOM 0 HG LEU A 50 5.973 31.229 7.091 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.774 32.091 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.145 30.447 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.960 31.849 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.495 33.656 7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.677 33.428 5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.946 33.152 5.531 1.00 0.00 H new ATOM 789 N HIS A 51 7.056 32.221 2.743 1.00 0.00 N ATOM 790 CA HIS A 51 7.168 33.438 1.962 1.00 0.00 C ATOM 791 C HIS A 51 5.875 33.730 1.216 1.00 0.00 C ATOM 792 O HIS A 51 5.354 34.843 1.277 1.00 0.00 O ATOM 793 CB HIS A 51 8.311 33.284 0.961 1.00 0.00 C ATOM 794 CG HIS A 51 9.615 33.246 1.705 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.808 33.958 2.873 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.802 32.603 1.455 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.070 33.738 3.279 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.719 32.916 2.452 1.00 0.00 N ATOM 0 H HIS A 51 7.744 31.503 2.514 1.00 0.00 H new ATOM 0 HA HIS A 51 7.367 34.270 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.182 32.370 0.381 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.306 34.113 0.254 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.118 34.544 3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.994 31.954 0.613 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.506 34.173 4.166 1.00 0.00 H new ATOM 807 N LYS A 52 5.361 32.733 0.506 1.00 0.00 N ATOM 808 CA LYS A 52 4.130 32.930 -0.246 1.00 0.00 C ATOM 809 C LYS A 52 2.984 33.298 0.701 1.00 0.00 C ATOM 810 O LYS A 52 2.227 34.233 0.440 1.00 0.00 O ATOM 811 CB LYS A 52 3.784 31.664 -1.033 1.00 0.00 C ATOM 812 CG LYS A 52 4.954 31.306 -1.956 1.00 0.00 C ATOM 813 CD LYS A 52 5.214 32.459 -2.927 1.00 0.00 C ATOM 814 CE LYS A 52 5.794 31.908 -4.232 1.00 0.00 C ATOM 815 NZ LYS A 52 6.394 33.021 -5.024 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.767 31.800 0.436 1.00 0.00 H new ATOM 0 HA LYS A 52 4.276 33.749 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.581 30.841 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.879 31.822 -1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.848 31.106 -1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.728 30.395 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.287 32.996 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.906 33.174 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.551 31.154 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.011 31.417 -4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.787 32.644 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.661 33.726 -5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.152 33.470 -4.472 1.00 0.00 H new ATOM 829 N TRP A 53 2.875 32.559 1.804 1.00 0.00 N ATOM 830 CA TRP A 53 1.834 32.805 2.805 1.00 0.00 C ATOM 831 C TRP A 53 1.935 34.233 3.334 1.00 0.00 C ATOM 832 O TRP A 53 0.952 34.977 3.367 1.00 0.00 O ATOM 833 CB TRP A 53 2.050 31.815 3.954 1.00 0.00 C ATOM 834 CG TRP A 53 0.888 31.792 4.897 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.190 30.986 4.777 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.684 32.565 6.117 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.033 31.198 5.853 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.540 32.164 6.704 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.438 33.556 6.771 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.001 32.730 7.893 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.976 34.128 7.969 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.240 33.713 8.530 1.00 0.00 C ATOM 0 H TRP A 53 3.496 31.782 2.029 1.00 0.00 H new ATOM 0 HA TRP A 53 0.847 32.674 2.361 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.207 30.816 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.955 32.084 4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.365 30.289 3.971 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.912 30.701 5.999 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.378 33.880 6.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.941 32.410 8.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.561 34.891 8.460 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.588 34.153 9.453 1.00 0.00 H new ATOM 853 N LEU A 54 3.136 34.590 3.765 1.00 0.00 N ATOM 854 CA LEU A 54 3.376 35.917 4.316 1.00 0.00 C ATOM 855 C LEU A 54 2.945 36.988 3.319 1.00 0.00 C ATOM 856 O LEU A 54 2.208 37.912 3.664 1.00 0.00 O ATOM 857 CB LEU A 54 4.868 36.089 4.610 1.00 0.00 C ATOM 858 CG LEU A 54 5.103 37.388 5.380 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.825 37.160 6.867 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.559 37.815 5.199 1.00 0.00 C ATOM 0 H LEU A 54 3.956 33.984 3.744 1.00 0.00 H new ATOM 0 HA LEU A 54 2.799 36.022 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.233 35.242 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.432 36.103 3.677 1.00 0.00 H new ATOM 0 HG LEU A 54 4.437 38.164 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.993 38.087 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.791 36.843 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.493 36.387 7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.737 38.742 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.217 37.036 5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.763 37.973 4.140 1.00 0.00 H new ATOM 872 N ASP A 55 3.415 36.856 2.082 1.00 0.00 N ATOM 873 CA ASP A 55 3.089 37.821 1.039 1.00 0.00 C ATOM 874 C ASP A 55 1.581 37.978 0.866 1.00 0.00 C ATOM 875 O ASP A 55 1.079 39.091 0.720 1.00 0.00 O ATOM 876 CB ASP A 55 3.707 37.377 -0.284 1.00 0.00 C ATOM 877 CG ASP A 55 5.225 37.312 -0.150 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.703 37.349 0.973 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.887 37.215 -1.169 1.00 0.00 O ATOM 0 H ASP A 55 4.020 36.093 1.779 1.00 0.00 H new ATOM 0 HA ASP A 55 3.497 38.786 1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.316 36.400 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.432 38.074 -1.076 1.00 0.00 H new ATOM 884 N ARG A 56 0.863 36.863 0.883 1.00 0.00 N ATOM 885 CA ARG A 56 -0.587 36.891 0.724 1.00 0.00 C ATOM 886 C ARG A 56 -1.261 37.641 1.864 1.00 0.00 C ATOM 887 O ARG A 56 -2.297 38.276 1.674 1.00 0.00 O ATOM 888 CB ARG A 56 -1.126 35.463 0.676 1.00 0.00 C ATOM 889 CG ARG A 56 -2.652 35.491 0.576 1.00 0.00 C ATOM 890 CD ARG A 56 -3.181 34.066 0.406 1.00 0.00 C ATOM 891 NE ARG A 56 -3.012 33.311 1.645 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.662 32.167 1.844 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.447 31.693 0.917 1.00 0.00 N ATOM 894 NH2 ARG A 56 -3.510 31.516 2.965 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.258 35.930 1.005 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.810 37.411 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.706 34.934 -0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.820 34.918 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.077 35.943 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.960 36.107 -0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.235 34.093 0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.651 33.569 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.387 33.666 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.563 32.199 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.945 30.816 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.893 31.884 3.689 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.008 30.639 3.117 1.00 0.00 H new ATOM 908 N HIS A 57 -0.676 37.548 3.050 1.00 0.00 N ATOM 909 CA HIS A 57 -1.244 38.206 4.219 1.00 0.00 C ATOM 910 C HIS A 57 -0.347 39.333 4.700 1.00 0.00 C ATOM 911 O HIS A 57 -0.480 39.804 5.828 1.00 0.00 O ATOM 912 CB HIS A 57 -1.447 37.185 5.338 1.00 0.00 C ATOM 913 CG HIS A 57 -2.324 36.076 4.828 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.633 36.296 4.430 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.092 34.738 4.627 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.133 35.119 4.010 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.235 34.136 4.108 1.00 0.00 N ATOM 0 H HIS A 57 0.184 37.029 3.228 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.206 38.635 3.939 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.486 36.787 5.664 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.906 37.661 6.205 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.128 37.188 4.451 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.163 34.229 4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.138 34.986 3.639 1.00 0.00 H new ATOM 926 N ARG A 58 0.555 39.772 3.833 1.00 0.00 N ATOM 927 CA ARG A 58 1.456 40.861 4.172 1.00 0.00 C ATOM 928 C ARG A 58 0.658 42.055 4.674 1.00 0.00 C ATOM 929 O ARG A 58 1.106 42.797 5.547 1.00 0.00 O ATOM 930 CB ARG A 58 2.267 41.265 2.946 1.00 0.00 C ATOM 931 CG ARG A 58 1.337 41.834 1.880 1.00 0.00 C ATOM 932 CD ARG A 58 2.105 41.950 0.565 1.00 0.00 C ATOM 933 NE ARG A 58 3.335 42.709 0.769 1.00 0.00 N ATOM 934 CZ ARG A 58 3.910 43.375 -0.227 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.375 43.365 -1.417 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.012 44.040 -0.015 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.681 39.392 2.895 1.00 0.00 H new ATOM 0 HA ARG A 58 2.135 40.528 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.017 42.007 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.803 40.402 2.552 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.468 41.188 1.754 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.965 42.812 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.340 40.957 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.485 42.441 -0.185 1.00 0.00 H new ATOM 0 HE ARG A 58 3.762 42.729 1.695 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.513 42.845 -1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.818 43.877 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.432 44.049 0.915 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.454 44.551 -0.779 1.00 0.00 H new ATOM 950 N ASP A 59 -0.530 42.228 4.106 1.00 0.00 N ATOM 951 CA ASP A 59 -1.403 43.329 4.487 1.00 0.00 C ATOM 952 C ASP A 59 -1.741 43.257 5.973 1.00 0.00 C ATOM 953 O ASP A 59 -2.021 44.274 6.606 1.00 0.00 O ATOM 954 CB ASP A 59 -2.694 43.286 3.667 1.00 0.00 C ATOM 955 CG ASP A 59 -3.512 42.055 4.047 1.00 0.00 C ATOM 956 OD1 ASP A 59 -2.920 41.088 4.500 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.719 42.095 3.876 1.00 0.00 O ATOM 0 H ASP A 59 -0.909 41.620 3.381 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.879 44.264 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.277 44.190 3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.458 43.262 2.603 1.00 0.00 H new ATOM 962 N MET A 60 -1.718 42.046 6.523 1.00 0.00 N ATOM 963 CA MET A 60 -2.031 41.844 7.932 1.00 0.00 C ATOM 964 C MET A 60 -1.104 42.662 8.825 1.00 0.00 C ATOM 965 O MET A 60 -1.492 43.072 9.914 1.00 0.00 O ATOM 966 CB MET A 60 -1.899 40.361 8.286 1.00 0.00 C ATOM 967 CG MET A 60 -0.423 40.014 8.471 1.00 0.00 C ATOM 968 SD MET A 60 -0.164 38.261 8.103 1.00 0.00 S ATOM 969 CE MET A 60 1.603 38.369 7.734 1.00 0.00 C ATOM 0 H MET A 60 -1.486 41.193 6.015 1.00 0.00 H new ATOM 0 HA MET A 60 -3.056 42.176 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.453 40.143 9.199 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.332 39.747 7.496 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.191 40.629 7.813 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.113 40.232 9.493 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.782 38.038 6.711 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.935 39.401 7.844 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.158 37.733 8.424 1.00 0.00 H new ATOM 979 N CYS A 61 0.117 42.899 8.363 1.00 0.00 N ATOM 980 CA CYS A 61 1.077 43.663 9.148 1.00 0.00 C ATOM 981 C CYS A 61 0.555 45.071 9.405 1.00 0.00 C ATOM 982 O CYS A 61 0.893 45.694 10.412 1.00 0.00 O ATOM 983 CB CYS A 61 2.416 43.734 8.413 1.00 0.00 C ATOM 984 SG CYS A 61 2.293 44.886 7.022 1.00 0.00 S ATOM 0 H CYS A 61 0.463 42.577 7.459 1.00 0.00 H new ATOM 0 HA CYS A 61 1.219 43.161 10.105 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.200 44.058 9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.697 42.744 8.053 1.00 0.00 H new ATOM 0 HG CYS A 61 1.745 44.285 6.008 1.00 0.00 H new ATOM 990 N GLU A 62 -0.269 45.560 8.490 1.00 0.00 N ATOM 991 CA GLU A 62 -0.837 46.895 8.620 1.00 0.00 C ATOM 992 C GLU A 62 -1.917 46.940 9.705 1.00 0.00 C ATOM 993 O GLU A 62 -2.343 48.022 10.109 1.00 0.00 O ATOM 994 CB GLU A 62 -1.419 47.358 7.279 1.00 0.00 C ATOM 995 CG GLU A 62 -0.276 47.695 6.318 1.00 0.00 C ATOM 996 CD GLU A 62 -0.838 48.229 5.003 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.045 48.173 4.830 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.054 48.690 4.190 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.559 45.055 7.652 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.034 47.571 8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.048 46.576 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.053 48.232 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.382 48.437 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.327 46.806 6.131 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.369 45.772 10.173 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.408 45.718 11.207 1.00 0.00 C ATOM 1007 C LYS A 63 -2.816 45.842 12.615 1.00 0.00 C ATOM 1008 O LYS A 63 -3.473 45.495 13.598 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.173 44.393 11.116 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.979 44.334 9.817 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.863 43.083 9.832 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.631 42.978 8.514 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.417 41.629 7.919 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.037 44.861 9.857 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.079 46.559 11.033 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.474 43.558 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.841 44.291 11.971 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.594 45.228 9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.308 44.310 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.249 42.194 9.978 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.561 43.129 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.694 43.147 8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.294 43.750 7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.940 41.558 7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.403 41.485 7.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.759 40.901 8.578 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.596 46.362 12.714 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.968 46.550 14.023 1.00 0.00 C ATOM 1029 C TRP A 64 0.342 47.316 13.898 1.00 0.00 C ATOM 1030 O TRP A 64 0.626 48.209 14.696 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.715 45.207 14.706 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.907 44.104 13.727 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.178 43.928 12.604 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.877 43.023 13.762 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.638 42.803 11.947 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.690 42.213 12.619 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.895 42.674 14.665 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.485 41.090 12.383 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.697 41.546 14.431 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.493 40.757 13.291 1.00 0.00 C ATOM 0 H TRP A 64 -1.028 46.657 11.920 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.657 47.133 14.634 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.298 45.177 15.108 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.396 45.082 15.548 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.631 44.562 12.274 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.248 42.451 11.073 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.062 43.278 15.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.322 40.483 11.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.475 41.285 15.133 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.115 39.892 13.114 1.00 0.00 H new ATOM 1051 N LYS A 65 1.144 46.956 12.901 1.00 0.00 N ATOM 1052 CA LYS A 65 2.428 47.614 12.694 1.00 0.00 C ATOM 1053 C LYS A 65 3.417 47.191 13.781 1.00 0.00 C ATOM 1054 O LYS A 65 4.576 47.608 13.782 1.00 0.00 O ATOM 1055 CB LYS A 65 2.230 49.131 12.728 1.00 0.00 C ATOM 1056 CG LYS A 65 2.868 49.771 11.489 1.00 0.00 C ATOM 1057 CD LYS A 65 1.988 49.509 10.260 1.00 0.00 C ATOM 1058 CE LYS A 65 2.621 50.154 9.022 1.00 0.00 C ATOM 1059 NZ LYS A 65 2.878 49.103 7.994 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.930 46.219 12.229 1.00 0.00 H new ATOM 0 HA LYS A 65 2.831 47.322 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.166 49.367 12.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.677 49.544 13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.986 50.844 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.865 49.361 11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.874 48.436 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.990 49.915 10.423 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.959 50.920 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.553 50.650 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.846 49.529 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.816 48.684 8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.151 48.362 8.066 1.00 0.00 H new ATOM 1073 N SER A 66 2.942 46.352 14.701 1.00 0.00 N ATOM 1074 CA SER A 66 3.777 45.862 15.795 1.00 0.00 C ATOM 1075 C SER A 66 4.604 44.658 15.346 1.00 0.00 C ATOM 1076 O SER A 66 4.629 44.318 14.162 1.00 0.00 O ATOM 1077 CB SER A 66 2.902 45.480 16.990 1.00 0.00 C ATOM 1078 OG SER A 66 1.982 44.472 16.596 1.00 0.00 O ATOM 0 H SER A 66 1.985 45.999 14.710 1.00 0.00 H new ATOM 0 HA SER A 66 4.460 46.658 16.091 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.524 45.121 17.810 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.365 46.355 17.357 1.00 0.00 H new ATOM 0 HG SER A 66 1.106 44.655 16.995 1.00 0.00 H new ATOM 1084 N LYS A 67 5.300 44.028 16.294 1.00 0.00 N ATOM 1085 CA LYS A 67 6.143 42.877 15.969 1.00 0.00 C ATOM 1086 C LYS A 67 5.739 41.618 16.740 1.00 0.00 C ATOM 1087 O LYS A 67 5.332 40.620 16.149 1.00 0.00 O ATOM 1088 CB LYS A 67 7.600 43.202 16.291 1.00 0.00 C ATOM 1089 CG LYS A 67 8.468 41.989 15.959 1.00 0.00 C ATOM 1090 CD LYS A 67 9.931 42.303 16.282 1.00 0.00 C ATOM 1091 CE LYS A 67 10.808 41.110 15.894 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.222 41.394 16.268 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.298 44.291 17.280 1.00 0.00 H new ATOM 0 HA LYS A 67 6.014 42.676 14.906 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.928 44.068 15.716 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.703 43.461 17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.136 41.123 16.532 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.364 41.732 14.905 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.251 43.194 15.741 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.042 42.519 17.345 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.460 40.209 16.400 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.734 40.923 14.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.820 40.585 16.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.550 42.244 15.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.285 41.552 17.294 1.00 0.00 H new ATOM 1106 N GLU A 68 5.886 41.662 18.059 1.00 0.00 N ATOM 1107 CA GLU A 68 5.561 40.507 18.895 1.00 0.00 C ATOM 1108 C GLU A 68 4.080 40.147 18.806 1.00 0.00 C ATOM 1109 O GLU A 68 3.717 38.966 18.779 1.00 0.00 O ATOM 1110 CB GLU A 68 5.924 40.801 20.353 1.00 0.00 C ATOM 1111 CG GLU A 68 7.445 40.925 20.488 1.00 0.00 C ATOM 1112 CD GLU A 68 7.830 41.074 21.957 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.368 42.018 22.578 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.581 40.242 22.440 1.00 0.00 O1- ATOM 0 H GLU A 68 6.225 42.476 18.571 1.00 0.00 H new ATOM 0 HA GLU A 68 6.141 39.660 18.529 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.443 41.723 20.679 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.555 40.004 20.998 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.929 40.045 20.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.799 41.786 19.922 1.00 0.00 H new ATOM 1121 N ASP A 69 3.222 41.157 18.763 1.00 0.00 N ATOM 1122 CA ASP A 69 1.790 40.893 18.684 1.00 0.00 C ATOM 1123 C ASP A 69 1.449 40.153 17.395 1.00 0.00 C ATOM 1124 O ASP A 69 0.684 39.189 17.409 1.00 0.00 O ATOM 1125 CB ASP A 69 0.992 42.195 18.771 1.00 0.00 C ATOM 1126 CG ASP A 69 1.008 42.717 20.204 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.657 42.098 21.032 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.375 43.730 20.454 1.00 0.00 O ATOM 0 H ASP A 69 3.482 42.143 18.781 1.00 0.00 H new ATOM 0 HA ASP A 69 1.517 40.263 19.530 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.419 42.939 18.099 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.035 42.025 18.448 1.00 0.00 H new ATOM 1133 N ILE A 70 2.024 40.598 16.284 1.00 0.00 N ATOM 1134 CA ILE A 70 1.764 39.951 15.002 1.00 0.00 C ATOM 1135 C ILE A 70 2.108 38.469 15.076 1.00 0.00 C ATOM 1136 O ILE A 70 1.362 37.618 14.595 1.00 0.00 O ATOM 1137 CB ILE A 70 2.603 40.586 13.897 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.263 42.073 13.775 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.303 39.883 12.572 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.087 42.687 12.641 1.00 0.00 C ATOM 0 H ILE A 70 2.664 41.391 16.243 1.00 0.00 H new ATOM 0 HA ILE A 70 0.705 40.077 14.777 1.00 0.00 H new ATOM 0 HB ILE A 70 3.661 40.481 14.139 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.199 42.200 13.577 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.476 42.585 14.713 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.900 40.333 11.778 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.551 38.825 12.657 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.244 39.990 12.335 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.848 43.747 12.550 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.149 42.572 12.859 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.852 42.181 11.705 1.00 0.00 H new ATOM 1152 N LEU A 71 3.253 38.181 15.683 1.00 0.00 N ATOM 1153 CA LEU A 71 3.713 36.807 15.826 1.00 0.00 C ATOM 1154 C LEU A 71 2.656 35.982 16.543 1.00 0.00 C ATOM 1155 O LEU A 71 2.421 34.823 16.206 1.00 0.00 O ATOM 1156 CB LEU A 71 5.017 36.766 16.627 1.00 0.00 C ATOM 1157 CG LEU A 71 6.238 37.086 15.745 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.792 35.787 15.168 1.00 0.00 C ATOM 1159 CD2 LEU A 71 5.872 38.027 14.591 1.00 0.00 C ATOM 0 H LEU A 71 3.879 38.880 16.083 1.00 0.00 H new ATOM 0 HA LEU A 71 3.889 36.393 14.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.963 37.482 17.447 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.139 35.779 17.073 1.00 0.00 H new ATOM 0 HG LEU A 71 6.983 37.583 16.367 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.657 36.007 14.542 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.091 35.126 15.981 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.024 35.299 14.567 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.759 38.229 13.991 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.111 37.558 13.967 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.485 38.963 14.994 1.00 0.00 H new ATOM 1171 N HIS A 72 2.017 36.591 17.530 1.00 0.00 N ATOM 1172 CA HIS A 72 0.980 35.901 18.287 1.00 0.00 C ATOM 1173 C HIS A 72 -0.169 35.466 17.374 1.00 0.00 C ATOM 1174 O HIS A 72 -0.642 34.326 17.440 1.00 0.00 O ATOM 1175 CB HIS A 72 0.436 36.826 19.376 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.543 36.073 20.227 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.910 36.143 20.329 1.00 0.00 N flip ATOM 1178 CD2 HIS A 72 -0.143 35.104 21.132 1.00 0.00 C flip ATOM 1179 CE1 HIS A 72 -2.355 35.235 21.283 1.00 0.00 C flip ATOM 1180 NE2 HIS A 72 -1.250 34.635 21.738 1.00 0.00 N flip ATOM 0 H HIS A 72 2.194 37.551 17.825 1.00 0.00 H new ATOM 0 HA HIS A 72 1.422 35.013 18.738 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.254 37.203 19.990 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.049 37.692 18.924 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.871 34.783 21.318 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.374 35.053 21.591 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.246 33.911 22.456 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.606 36.377 16.514 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.700 36.067 15.587 1.00 0.00 C ATOM 1191 C LYS A 73 -1.287 34.954 14.634 1.00 0.00 C ATOM 1192 O LYS A 73 -2.032 33.997 14.423 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.115 37.314 14.795 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.946 38.244 15.690 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.354 38.282 17.101 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.064 39.358 17.923 1.00 0.00 C ATOM 1197 NZ LYS A 73 -2.991 39.011 19.371 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.231 37.322 16.435 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.556 35.731 16.172 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.230 37.837 14.433 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.695 37.024 13.919 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.963 39.249 15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.978 37.897 15.729 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.467 37.310 17.580 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.285 38.492 17.053 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.600 40.329 17.748 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.105 39.441 17.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.943 39.056 19.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.611 38.049 19.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.368 39.686 19.859 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.105 35.084 14.052 1.00 0.00 N ATOM 1212 CA LEU A 74 0.376 34.075 13.121 1.00 0.00 C ATOM 1213 C LEU A 74 0.449 32.710 13.799 1.00 0.00 C ATOM 1214 O LEU A 74 0.143 31.691 13.183 1.00 0.00 O ATOM 1215 CB LEU A 74 1.758 34.456 12.589 1.00 0.00 C ATOM 1216 CG LEU A 74 1.622 35.484 11.464 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.410 36.880 12.055 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.903 35.471 10.629 1.00 0.00 C ATOM 0 H LEU A 74 0.531 35.866 14.204 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.326 34.021 12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.367 34.866 13.395 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.272 33.568 12.221 1.00 0.00 H new ATOM 0 HG LEU A 74 0.765 35.232 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.314 37.606 11.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.502 36.886 12.658 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.263 37.144 12.681 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.819 36.200 9.823 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.753 35.726 11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.051 34.478 10.206 1.00 0.00 H new ATOM 1230 N ASN A 75 0.853 32.689 15.067 1.00 0.00 N ATOM 1231 CA ASN A 75 0.953 31.428 15.795 1.00 0.00 C ATOM 1232 C ASN A 75 -0.396 30.713 15.827 1.00 0.00 C ATOM 1233 O ASN A 75 -0.476 29.516 15.558 1.00 0.00 O ATOM 1234 CB ASN A 75 1.436 31.679 17.226 1.00 0.00 C ATOM 1235 CG ASN A 75 2.871 32.201 17.211 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.483 32.364 16.072 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.448 32.469 18.266 1.00 0.00 N flip ATOM 0 H ASN A 75 1.112 33.516 15.604 1.00 0.00 H new ATOM 0 HA ASN A 75 1.673 30.794 15.278 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.783 32.401 17.717 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.382 30.756 17.803 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.968 32.341 19.157 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.406 32.819 18.249 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.454 31.449 16.155 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.787 30.847 16.212 1.00 0.00 C ATOM 1246 C GLU A 76 -3.242 30.393 14.824 1.00 0.00 C ATOM 1247 O GLU A 76 -3.872 29.342 14.675 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.798 31.842 16.786 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.129 31.127 17.033 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.165 32.116 17.559 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.839 33.288 17.656 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.267 31.687 17.860 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.420 32.443 16.382 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.733 29.975 16.864 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.421 32.264 17.717 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.941 32.672 16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.484 30.674 16.108 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.989 30.319 17.751 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.898 31.171 13.802 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.272 30.804 12.441 1.00 0.00 C ATOM 1261 C GLN A 77 -2.423 29.633 11.955 1.00 0.00 C ATOM 1262 O GLN A 77 -2.931 28.718 11.311 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.161 32.009 11.498 1.00 0.00 C ATOM 1264 CG GLN A 77 -4.489 32.777 11.535 1.00 0.00 C ATOM 1265 CD GLN A 77 -4.502 33.900 10.503 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -3.382 34.320 9.985 1.00 0.00 O flip ATOM 1267 NE2 GLN A 77 -5.568 34.415 10.166 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.372 32.041 13.886 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.315 30.486 12.441 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.340 32.657 11.805 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.943 31.677 10.483 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.315 32.092 11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.645 33.192 12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.444 34.086 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.575 35.171 9.481 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.140 29.635 12.306 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.262 28.530 11.932 1.00 0.00 C ATOM 1278 C TRP A 78 -0.829 27.231 12.499 1.00 0.00 C ATOM 1279 O TRP A 78 -0.842 26.198 11.831 1.00 0.00 O ATOM 1280 CB TRP A 78 1.137 28.764 12.510 1.00 0.00 C ATOM 1281 CG TRP A 78 2.173 28.079 11.670 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.269 26.739 11.467 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.277 28.684 10.936 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.362 26.495 10.647 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.013 27.660 10.299 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.705 30.014 10.763 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.138 27.942 9.518 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.837 30.303 9.980 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.553 29.269 9.359 1.00 0.00 C ATOM 0 H TRP A 78 -0.690 30.378 12.841 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.198 28.467 10.846 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.345 29.833 12.554 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.182 28.388 13.532 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.607 25.990 11.875 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.649 25.566 10.339 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.160 30.818 11.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.683 27.141 9.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.157 31.327 9.856 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.422 29.496 8.760 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.291 27.304 13.750 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.857 26.143 14.431 1.00 0.00 C ATOM 1302 C ASN A 79 -3.074 25.605 13.683 1.00 0.00 C ATOM 1303 O ASN A 79 -3.246 24.393 13.562 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.270 26.522 15.857 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.071 27.064 16.632 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -1.185 28.072 17.329 1.00 0.00 O ATOM 1307 ND2 ASN A 79 0.078 26.453 16.553 1.00 0.00 N ATOM 0 H ASN A 79 -1.283 28.157 14.310 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.093 25.366 14.460 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.060 27.272 15.826 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.678 25.650 16.368 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.882 26.810 17.069 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.173 25.618 15.975 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.923 26.505 13.191 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.122 26.077 12.467 1.00 0.00 C ATOM 1316 C LYS A 80 -4.845 25.886 10.976 1.00 0.00 C ATOM 1317 O LYS A 80 -5.622 25.234 10.278 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.235 27.111 12.627 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.720 27.136 14.077 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.131 27.729 14.130 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.083 29.233 13.844 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.229 29.606 12.968 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.809 27.515 13.276 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.429 25.122 12.893 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.871 28.097 12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.064 26.871 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.722 26.127 14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.041 27.729 14.689 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.770 27.233 13.399 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.571 27.552 15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.127 29.794 14.778 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.141 29.493 13.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.199 30.627 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.167 29.080 12.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.122 29.372 13.446 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.748 26.456 10.490 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.409 26.333 9.075 1.00 0.00 C ATOM 1338 C ASP A 81 -1.984 25.821 8.903 1.00 0.00 C ATOM 1339 O ASP A 81 -1.066 26.596 9.117 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.555 27.691 8.385 1.00 0.00 C ATOM 1341 CG ASP A 81 -5.012 28.139 8.420 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -5.872 27.281 8.544 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -5.247 29.332 8.321 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.832 24.663 8.553 1.00 0.00 O ATOM 0 H ASP A 81 -3.087 27.000 11.044 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.093 25.617 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.927 28.430 8.882 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.212 27.623 7.353 1.00 0.00 H new