USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 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 (180deg=0) USER MOD Set 1.2: A 51 HIS : no HD1:sc= -8.39! C(o=-8.4!,f=-9.7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.85 USER MOD Single : A 15 ASN :FLIP amide:sc= -4.26! C(o=-5.4!,f=-4.3!) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.115 F(o=-1.6!,f=-0.12) USER MOD Single : A 19 GLN :FLIP amide:sc= -7.78! C(o=-8.8!,f=-7.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -9.08! C(o=-15!,f=-9.1!) USER MOD Single : A 30 GLN : amide:sc= -0.0932 X(o=-0.093,f=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.622 (180deg=-1.02) USER MOD Single : A 45 ASN : amide:sc= -6.08! C(o=-6.1!,f=-8.4!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0162 F(o=-0.68,f=-0.016) USER MOD Single : A 52 LYS NZ :NH3+ -116:sc= -0.5 (180deg=-2.18!) USER MOD Single : A 57 HIS : no HD1:sc= -0.322 X(o=-0.32,f=0.022) USER MOD Single : A 60 MET CE :methyl 158:sc= 0 (180deg=-0.12) USER MOD Single : A 61 CYS SG : rot -82:sc= -0.912 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -148:sc= -2.77! USER MOD Single : A 67 LYS NZ :NH3+ 129:sc= 0.121 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.38) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0311 K(o=-0.031,f=-1.9!) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.96! C(o=-3.7!,f=-3!) USER MOD Single : A 79 ASN : amide:sc= -5.91! C(o=-5.9!,f=-9.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.884 51.687 1.897 1.00 0.00 N ATOM 93 CA LYS A 8 4.685 50.291 2.265 1.00 0.00 C ATOM 94 C LYS A 8 6.023 49.641 2.594 1.00 0.00 C ATOM 95 O LYS A 8 7.067 50.292 2.543 1.00 0.00 O ATOM 96 CB LYS A 8 4.018 49.533 1.116 1.00 0.00 C ATOM 97 CG LYS A 8 4.950 49.524 -0.098 1.00 0.00 C ATOM 98 CD LYS A 8 4.264 48.805 -1.264 1.00 0.00 C ATOM 99 CE LYS A 8 4.933 47.449 -1.511 1.00 0.00 C ATOM 100 NZ LYS A 8 3.926 46.494 -2.055 1.00 0.00 N1+ ATOM 0 HA LYS A 8 4.040 50.251 3.143 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.793 48.512 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.070 50.005 0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.202 50.545 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.885 49.023 0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.206 48.663 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.322 49.417 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.760 47.561 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.352 47.063 -0.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.377 45.572 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.151 46.380 -1.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.546 46.863 -2.950 1.00 0.00 H new ATOM 114 N PHE A 9 5.995 48.355 2.927 1.00 0.00 N ATOM 115 CA PHE A 9 7.225 47.645 3.255 1.00 0.00 C ATOM 116 C PHE A 9 7.984 47.289 1.984 1.00 0.00 C ATOM 117 O PHE A 9 7.402 46.792 1.019 1.00 0.00 O ATOM 118 CB PHE A 9 6.916 46.359 4.023 1.00 0.00 C ATOM 119 CG PHE A 9 6.419 46.691 5.411 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.333 46.930 6.446 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.046 46.750 5.662 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.867 47.229 7.733 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.581 47.048 6.948 1.00 0.00 C ATOM 124 CZ PHE A 9 5.491 47.289 7.984 1.00 0.00 C ATOM 0 H PHE A 9 5.147 47.790 2.977 1.00 0.00 H new ATOM 0 HA PHE A 9 7.835 48.300 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.164 45.778 3.488 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.811 45.740 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.394 46.884 6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.343 46.566 4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.570 47.413 8.532 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.519 47.092 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.132 47.521 8.976 1.00 0.00 H new ATOM 134 N THR A 10 9.288 47.535 1.996 1.00 0.00 N ATOM 135 CA THR A 10 10.120 47.225 0.843 1.00 0.00 C ATOM 136 C THR A 10 10.568 45.771 0.907 1.00 0.00 C ATOM 137 O THR A 10 10.496 45.144 1.962 1.00 0.00 O ATOM 138 CB THR A 10 11.341 48.146 0.814 1.00 0.00 C ATOM 139 OG1 THR A 10 12.056 48.023 2.036 1.00 0.00 O ATOM 140 CG2 THR A 10 10.886 49.595 0.627 1.00 0.00 C ATOM 0 H THR A 10 9.788 47.945 2.785 1.00 0.00 H new ATOM 0 HA THR A 10 9.539 47.381 -0.066 1.00 0.00 H new ATOM 0 HB THR A 10 11.990 47.863 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.839 48.612 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.757 50.250 0.607 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.341 49.687 -0.312 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.236 49.882 1.453 1.00 0.00 H new ATOM 148 N ASP A 11 11.020 45.235 -0.219 1.00 0.00 N ATOM 149 CA ASP A 11 11.464 43.851 -0.249 1.00 0.00 C ATOM 150 C ASP A 11 12.516 43.623 0.829 1.00 0.00 C ATOM 151 O ASP A 11 12.513 42.593 1.502 1.00 0.00 O ATOM 152 CB ASP A 11 12.045 43.517 -1.624 1.00 0.00 C ATOM 153 CG ASP A 11 10.942 43.556 -2.679 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.784 43.508 -2.299 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.272 43.631 -3.851 1.00 0.00 O ATOM 0 H ASP A 11 11.088 45.729 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 11 10.611 43.200 -0.059 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.830 44.229 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.506 42.529 -1.603 1.00 0.00 H new ATOM 160 N ASP A 12 13.408 44.595 1.000 1.00 0.00 N ATOM 161 CA ASP A 12 14.450 44.482 2.013 1.00 0.00 C ATOM 162 C ASP A 12 13.837 44.473 3.407 1.00 0.00 C ATOM 163 O ASP A 12 14.147 43.608 4.224 1.00 0.00 O ATOM 164 CB ASP A 12 15.428 45.651 1.890 1.00 0.00 C ATOM 165 CG ASP A 12 16.171 45.568 0.560 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.169 44.501 -0.031 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.730 46.573 0.151 1.00 0.00 O ATOM 0 H ASP A 12 13.430 45.458 0.458 1.00 0.00 H new ATOM 0 HA ASP A 12 14.985 43.545 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.889 46.596 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.139 45.630 2.716 1.00 0.00 H new ATOM 172 N GLU A 13 12.946 45.423 3.668 1.00 0.00 N ATOM 173 CA GLU A 13 12.288 45.489 4.964 1.00 0.00 C ATOM 174 C GLU A 13 11.439 44.246 5.165 1.00 0.00 C ATOM 175 O GLU A 13 11.381 43.679 6.255 1.00 0.00 O ATOM 176 CB GLU A 13 11.395 46.724 5.033 1.00 0.00 C ATOM 177 CG GLU A 13 12.259 47.986 5.058 1.00 0.00 C ATOM 178 CD GLU A 13 11.376 49.216 5.229 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.166 49.064 5.187 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.923 50.293 5.402 1.00 0.00 O1- ATOM 0 H GLU A 13 12.666 46.149 3.008 1.00 0.00 H new ATOM 0 HA GLU A 13 13.046 45.549 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.725 46.748 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.769 46.683 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.979 47.928 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.831 48.064 4.133 1.00 0.00 H new ATOM 187 N TRP A 14 10.783 43.829 4.094 1.00 0.00 N ATOM 188 CA TRP A 14 9.942 42.655 4.140 1.00 0.00 C ATOM 189 C TRP A 14 10.794 41.430 4.437 1.00 0.00 C ATOM 190 O TRP A 14 10.481 40.650 5.333 1.00 0.00 O ATOM 191 CB TRP A 14 9.226 42.510 2.799 1.00 0.00 C ATOM 192 CG TRP A 14 7.980 41.700 2.955 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.671 40.628 2.196 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.875 41.874 3.894 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.444 40.131 2.601 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.915 40.864 3.644 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.605 42.800 4.926 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.739 40.771 4.388 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.422 42.705 5.673 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.493 41.695 5.407 1.00 0.00 C ATOM 0 H TRP A 14 10.820 44.289 3.185 1.00 0.00 H new ATOM 0 HA TRP A 14 9.198 42.752 4.930 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.979 43.495 2.404 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.888 42.033 2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.281 40.224 1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.987 39.322 2.180 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.314 43.586 5.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.023 39.990 4.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.227 43.418 6.460 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.586 41.629 5.989 1.00 0.00 H new ATOM 211 N ASN A 15 11.883 41.279 3.692 1.00 0.00 N ATOM 212 CA ASN A 15 12.786 40.153 3.892 1.00 0.00 C ATOM 213 C ASN A 15 13.257 40.095 5.342 1.00 0.00 C ATOM 214 O ASN A 15 13.372 39.019 5.931 1.00 0.00 O ATOM 215 CB ASN A 15 13.992 40.305 2.969 1.00 0.00 C ATOM 216 CG ASN A 15 13.554 40.189 1.512 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.976 41.065 0.641 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 12.800 39.281 1.159 1.00 0.00 N flip ATOM 0 H ASN A 15 12.161 41.919 2.948 1.00 0.00 H new ATOM 0 HA ASN A 15 12.255 39.229 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.470 41.270 3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.733 39.539 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.471 38.597 1.841 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.505 39.213 0.185 1.00 0.00 H new ATOM 225 N GLN A 16 13.507 41.263 5.917 1.00 0.00 N ATOM 226 CA GLN A 16 13.941 41.334 7.307 1.00 0.00 C ATOM 227 C GLN A 16 12.832 40.790 8.199 1.00 0.00 C ATOM 228 O GLN A 16 13.080 40.027 9.134 1.00 0.00 O ATOM 229 CB GLN A 16 14.256 42.785 7.680 1.00 0.00 C ATOM 230 CG GLN A 16 15.495 43.250 6.911 1.00 0.00 C ATOM 231 CD GLN A 16 15.626 44.768 6.995 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.500 45.483 5.911 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 15.847 45.314 8.076 1.00 0.00 N flip ATOM 0 H GLN A 16 13.418 42.165 5.450 1.00 0.00 H new ATOM 0 HA GLN A 16 14.843 40.738 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.406 43.425 7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.428 42.867 8.753 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.387 42.777 7.323 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.423 42.941 5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.945 44.751 8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.932 46.329 8.127 1.00 0.00 H new ATOM 242 N LEU A 17 11.603 41.179 7.880 1.00 0.00 N ATOM 243 CA LEU A 17 10.440 40.723 8.630 1.00 0.00 C ATOM 244 C LEU A 17 10.322 39.206 8.549 1.00 0.00 C ATOM 245 O LEU A 17 9.946 38.550 9.521 1.00 0.00 O ATOM 246 CB LEU A 17 9.171 41.364 8.057 1.00 0.00 C ATOM 247 CG LEU A 17 7.941 40.867 8.824 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.848 41.578 10.175 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.680 41.163 8.006 1.00 0.00 C ATOM 0 H LEU A 17 11.387 41.809 7.107 1.00 0.00 H new ATOM 0 HA LEU A 17 10.559 41.016 9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.239 42.450 8.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.075 41.117 7.000 1.00 0.00 H new ATOM 0 HG LEU A 17 8.030 39.793 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.971 41.220 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.744 41.369 10.759 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.762 42.653 10.015 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.803 40.811 8.549 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.597 42.237 7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.741 40.652 7.045 1.00 0.00 H new ATOM 261 N LYS A 18 10.637 38.653 7.380 1.00 0.00 N ATOM 262 CA LYS A 18 10.550 37.212 7.188 1.00 0.00 C ATOM 263 C LYS A 18 11.453 36.486 8.174 1.00 0.00 C ATOM 264 O LYS A 18 11.050 35.497 8.783 1.00 0.00 O ATOM 265 CB LYS A 18 10.967 36.843 5.763 1.00 0.00 C ATOM 266 CG LYS A 18 10.043 37.537 4.762 1.00 0.00 C ATOM 267 CD LYS A 18 10.326 37.005 3.360 1.00 0.00 C ATOM 268 CE LYS A 18 9.621 37.880 2.327 1.00 0.00 C ATOM 269 NZ LYS A 18 8.890 37.014 1.357 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.951 39.175 6.562 1.00 0.00 H new ATOM 0 HA LYS A 18 9.517 36.909 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.000 37.142 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.920 35.762 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.001 37.358 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.199 38.615 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.400 36.998 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.981 35.975 3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.925 38.557 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.348 38.499 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.410 37.610 0.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.565 36.385 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.185 36.442 1.865 1.00 0.00 H new ATOM 283 N GLN A 19 12.678 36.979 8.327 1.00 0.00 N ATOM 284 CA GLN A 19 13.617 36.351 9.246 1.00 0.00 C ATOM 285 C GLN A 19 13.093 36.406 10.674 1.00 0.00 C ATOM 286 O GLN A 19 13.204 35.434 11.418 1.00 0.00 O ATOM 287 CB GLN A 19 14.982 37.038 9.167 1.00 0.00 C ATOM 288 CG GLN A 19 15.741 36.533 7.936 1.00 0.00 C ATOM 289 CD GLN A 19 14.769 36.253 6.794 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.214 35.076 6.695 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 14.512 37.128 5.969 1.00 0.00 N flip ATOM 0 H GLN A 19 13.038 37.797 7.836 1.00 0.00 H new ATOM 0 HA GLN A 19 13.728 35.306 8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.854 38.119 9.109 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.556 36.833 10.070 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.476 37.275 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.291 35.625 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.947 38.047 6.048 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.864 36.935 5.205 1.00 0.00 H new ATOM 300 N ASP A 20 12.520 37.542 11.062 1.00 0.00 N ATOM 301 CA ASP A 20 11.994 37.685 12.411 1.00 0.00 C ATOM 302 C ASP A 20 10.919 36.640 12.683 1.00 0.00 C ATOM 303 O ASP A 20 10.900 36.025 13.748 1.00 0.00 O ATOM 304 CB ASP A 20 11.398 39.080 12.591 1.00 0.00 C ATOM 305 CG ASP A 20 12.503 40.128 12.541 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.651 39.759 12.729 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.187 41.285 12.313 1.00 0.00 O1- ATOM 0 H ASP A 20 12.410 38.365 10.469 1.00 0.00 H new ATOM 0 HA ASP A 20 12.813 37.541 13.115 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.665 39.275 11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.871 39.140 13.544 1.00 0.00 H new ATOM 312 N PHE A 21 10.033 36.437 11.716 1.00 0.00 N ATOM 313 CA PHE A 21 8.973 35.453 11.877 1.00 0.00 C ATOM 314 C PHE A 21 9.585 34.064 11.956 1.00 0.00 C ATOM 315 O PHE A 21 9.272 33.277 12.850 1.00 0.00 O ATOM 316 CB PHE A 21 7.997 35.530 10.701 1.00 0.00 C ATOM 317 CG PHE A 21 7.090 36.737 10.846 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.460 37.817 11.664 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.873 36.776 10.154 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.615 38.928 11.783 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.029 37.887 10.277 1.00 0.00 C ATOM 322 CZ PHE A 21 5.400 38.962 11.092 1.00 0.00 C ATOM 0 H PHE A 21 10.027 36.933 10.825 1.00 0.00 H new ATOM 0 HA PHE A 21 8.425 35.661 12.796 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.551 35.593 9.764 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.398 34.620 10.657 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.396 37.791 12.202 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.585 35.947 9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.902 39.759 12.409 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.091 37.914 9.742 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.748 39.818 11.187 1.00 0.00 H new ATOM 332 N ILE A 22 10.489 33.784 11.024 1.00 0.00 N ATOM 333 CA ILE A 22 11.175 32.503 11.006 1.00 0.00 C ATOM 334 C ILE A 22 11.927 32.312 12.322 1.00 0.00 C ATOM 335 O ILE A 22 11.889 31.239 12.925 1.00 0.00 O ATOM 336 CB ILE A 22 12.138 32.437 9.813 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.329 32.495 8.509 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.921 31.127 9.865 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.276 32.604 7.307 1.00 0.00 C ATOM 0 H ILE A 22 10.761 34.423 10.277 1.00 0.00 H new ATOM 0 HA ILE A 22 10.446 31.700 10.897 1.00 0.00 H new ATOM 0 HB ILE A 22 12.831 33.277 9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.711 31.602 8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.653 33.350 8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.606 31.078 9.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.489 31.079 10.794 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.228 30.287 9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.693 32.644 6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.875 33.510 7.397 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.934 31.735 7.282 1.00 0.00 H new ATOM 351 N SER A 23 12.598 33.374 12.761 1.00 0.00 N ATOM 352 CA SER A 23 13.347 33.339 14.013 1.00 0.00 C ATOM 353 C SER A 23 12.426 32.971 15.172 1.00 0.00 C ATOM 354 O SER A 23 12.759 32.121 15.996 1.00 0.00 O ATOM 355 CB SER A 23 13.974 34.706 14.288 1.00 0.00 C ATOM 356 OG SER A 23 14.717 34.645 15.499 1.00 0.00 O ATOM 0 H SER A 23 12.638 34.267 12.269 1.00 0.00 H new ATOM 0 HA SER A 23 14.132 32.588 13.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.625 34.994 13.462 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.197 35.467 14.362 1.00 0.00 H new ATOM 0 HG SER A 23 15.122 35.519 15.679 1.00 0.00 H new ATOM 362 N GLY A 24 11.265 33.616 15.223 1.00 0.00 N ATOM 363 CA GLY A 24 10.300 33.353 16.282 1.00 0.00 C ATOM 364 C GLY A 24 9.880 31.888 16.284 1.00 0.00 C ATOM 365 O GLY A 24 9.584 31.318 17.333 1.00 0.00 O ATOM 0 H GLY A 24 10.971 34.321 14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.734 33.612 17.248 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.423 33.987 16.146 1.00 0.00 H new ATOM 369 N ILE A 25 9.858 31.283 15.103 1.00 0.00 N ATOM 370 CA ILE A 25 9.472 29.883 14.981 1.00 0.00 C ATOM 371 C ILE A 25 10.542 28.973 15.570 1.00 0.00 C ATOM 372 O ILE A 25 10.245 28.114 16.399 1.00 0.00 O ATOM 373 CB ILE A 25 9.253 29.542 13.506 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.008 30.274 12.996 1.00 0.00 C ATOM 375 CG2 ILE A 25 9.065 28.036 13.341 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.812 29.974 11.510 1.00 0.00 C ATOM 0 H ILE A 25 10.101 31.736 14.222 1.00 0.00 H new ATOM 0 HA ILE A 25 8.547 29.726 15.535 1.00 0.00 H new ATOM 0 HB ILE A 25 10.124 29.856 12.931 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.131 29.958 13.560 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.116 31.348 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.910 27.802 12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.953 27.517 13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.198 27.712 13.916 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.926 30.495 11.147 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.685 30.312 10.952 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.685 28.901 11.369 1.00 0.00 H new ATOM 388 N LEU A 26 11.788 29.171 15.155 1.00 0.00 N ATOM 389 CA LEU A 26 12.887 28.362 15.672 1.00 0.00 C ATOM 390 C LEU A 26 13.125 28.694 17.140 1.00 0.00 C ATOM 391 O LEU A 26 13.528 27.838 17.929 1.00 0.00 O ATOM 392 CB LEU A 26 14.162 28.622 14.856 1.00 0.00 C ATOM 393 CG LEU A 26 15.029 29.675 15.555 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.772 29.034 16.730 1.00 0.00 C ATOM 395 CD2 LEU A 26 16.043 30.240 14.558 1.00 0.00 C ATOM 0 H LEU A 26 12.061 29.876 14.470 1.00 0.00 H new ATOM 0 HA LEU A 26 12.626 27.307 15.585 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.724 27.695 14.740 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.899 28.963 13.855 1.00 0.00 H new ATOM 0 HG LEU A 26 14.393 30.479 15.926 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.387 29.785 17.225 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.050 28.631 17.440 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.408 28.229 16.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.661 30.989 15.053 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.677 29.434 14.187 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.515 30.700 13.723 1.00 0.00 H new ATOM 407 N GLU A 27 12.865 29.947 17.495 1.00 0.00 N ATOM 408 CA GLU A 27 13.044 30.400 18.867 1.00 0.00 C ATOM 409 C GLU A 27 11.919 29.890 19.761 1.00 0.00 C ATOM 410 O GLU A 27 12.161 29.463 20.890 1.00 0.00 O ATOM 411 CB GLU A 27 13.076 31.928 18.914 1.00 0.00 C ATOM 412 CG GLU A 27 12.970 32.393 20.367 1.00 0.00 C ATOM 413 CD GLU A 27 11.506 32.604 20.745 1.00 0.00 C ATOM 414 OE1 GLU A 27 10.720 32.887 19.857 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 11.195 32.481 21.918 1.00 0.00 O ATOM 0 H GLU A 27 12.530 30.665 16.853 1.00 0.00 H new ATOM 0 HA GLU A 27 13.990 30.002 19.233 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.000 32.297 18.469 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.253 32.338 18.328 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.421 31.653 21.028 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.526 33.321 20.501 1.00 0.00 H new ATOM 422 N ASN A 28 10.687 29.947 19.260 1.00 0.00 N ATOM 423 CA ASN A 28 9.543 29.496 20.040 1.00 0.00 C ATOM 424 C ASN A 28 9.287 28.007 19.834 1.00 0.00 C ATOM 425 O ASN A 28 9.786 27.398 18.889 1.00 0.00 O ATOM 426 CB ASN A 28 8.294 30.310 19.676 1.00 0.00 C ATOM 427 CG ASN A 28 7.772 29.936 18.289 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.316 28.954 17.626 1.00 0.00 O flip ATOM 429 ND2 ASN A 28 6.835 30.565 17.795 1.00 0.00 N flip ATOM 0 H ASN A 28 10.459 30.297 18.329 1.00 0.00 H new ATOM 0 HA ASN A 28 9.771 29.654 21.094 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.515 30.137 20.419 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.530 31.374 19.703 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.408 31.334 18.312 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.486 30.317 16.869 1.00 0.00 H new ATOM 436 N GLU A 29 8.512 27.428 20.739 1.00 0.00 N ATOM 437 CA GLU A 29 8.193 26.008 20.674 1.00 0.00 C ATOM 438 C GLU A 29 7.406 25.670 19.407 1.00 0.00 C ATOM 439 O GLU A 29 7.437 24.536 18.930 1.00 0.00 O ATOM 440 CB GLU A 29 7.385 25.617 21.911 1.00 0.00 C ATOM 441 CG GLU A 29 7.253 24.095 21.981 1.00 0.00 C ATOM 442 CD GLU A 29 6.692 23.685 23.340 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.680 24.240 23.736 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.289 22.825 23.967 1.00 0.00 O1- ATOM 0 H GLU A 29 8.092 27.919 21.528 1.00 0.00 H new ATOM 0 HA GLU A 29 9.126 25.445 20.645 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.875 25.991 22.810 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.397 26.076 21.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.598 23.741 21.185 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.226 23.629 21.824 1.00 0.00 H new ATOM 451 N GLN A 30 6.695 26.655 18.869 1.00 0.00 N ATOM 452 CA GLN A 30 5.898 26.433 17.665 1.00 0.00 C ATOM 453 C GLN A 30 6.756 25.857 16.540 1.00 0.00 C ATOM 454 O GLN A 30 6.237 25.479 15.491 1.00 0.00 O ATOM 455 CB GLN A 30 5.275 27.747 17.191 1.00 0.00 C ATOM 456 CG GLN A 30 4.554 28.430 18.355 1.00 0.00 C ATOM 457 CD GLN A 30 3.527 27.482 18.964 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.733 26.878 18.242 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.495 27.315 20.258 1.00 0.00 N ATOM 0 H GLN A 30 6.653 27.604 19.241 1.00 0.00 H new ATOM 0 HA GLN A 30 5.112 25.721 17.915 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.049 28.405 16.795 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.573 27.555 16.379 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.276 28.732 19.113 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.061 29.337 18.005 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.154 27.817 20.853 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.811 26.683 20.674 1.00 0.00 H new ATOM 468 N LYS A 31 8.067 25.798 16.764 1.00 0.00 N ATOM 469 CA LYS A 31 8.985 25.270 15.757 1.00 0.00 C ATOM 470 C LYS A 31 8.501 23.918 15.247 1.00 0.00 C ATOM 471 O LYS A 31 8.787 23.529 14.114 1.00 0.00 O ATOM 472 CB LYS A 31 10.381 25.102 16.355 1.00 0.00 C ATOM 473 CG LYS A 31 11.357 24.701 15.247 1.00 0.00 C ATOM 474 CD LYS A 31 12.737 24.432 15.848 1.00 0.00 C ATOM 475 CE LYS A 31 13.723 24.104 14.726 1.00 0.00 C ATOM 476 NZ LYS A 31 12.973 23.618 13.532 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.515 26.107 17.627 1.00 0.00 H new ATOM 0 HA LYS A 31 9.021 25.977 14.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.704 26.032 16.822 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.366 24.342 17.136 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.994 23.811 14.734 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.422 25.494 14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.080 25.304 16.405 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.683 23.603 16.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 14.305 24.989 14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.430 23.344 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.642 23.236 12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.309 22.871 13.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.444 24.407 13.109 1.00 0.00 H new ATOM 490 N ASP A 32 7.778 23.199 16.096 1.00 0.00 N ATOM 491 CA ASP A 32 7.268 21.887 15.726 1.00 0.00 C ATOM 492 C ASP A 32 6.364 21.983 14.499 1.00 0.00 C ATOM 493 O ASP A 32 6.363 21.095 13.650 1.00 0.00 O ATOM 494 CB ASP A 32 6.486 21.282 16.894 1.00 0.00 C ATOM 495 CG ASP A 32 7.424 21.011 18.066 1.00 0.00 C ATOM 496 OD1 ASP A 32 8.623 21.142 17.882 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.930 20.673 19.129 1.00 0.00 O1- ATOM 0 H ASP A 32 7.533 23.500 17.039 1.00 0.00 H new ATOM 0 HA ASP A 32 8.116 21.246 15.485 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.693 21.963 17.203 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.006 20.355 16.580 1.00 0.00 H new ATOM 502 N LEU A 33 5.598 23.067 14.409 1.00 0.00 N ATOM 503 CA LEU A 33 4.698 23.254 13.274 1.00 0.00 C ATOM 504 C LEU A 33 5.469 23.188 11.962 1.00 0.00 C ATOM 505 O LEU A 33 5.009 22.582 10.994 1.00 0.00 O ATOM 506 CB LEU A 33 3.976 24.596 13.391 1.00 0.00 C ATOM 507 CG LEU A 33 2.817 24.461 14.381 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.331 23.874 15.696 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.205 25.839 14.639 1.00 0.00 C ATOM 0 H LEU A 33 5.581 23.820 15.097 1.00 0.00 H new ATOM 0 HA LEU A 33 3.960 22.452 13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.669 25.367 13.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.602 24.907 12.416 1.00 0.00 H new ATOM 0 HG LEU A 33 2.058 23.799 13.963 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.504 23.779 16.400 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.765 22.891 15.511 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.091 24.533 16.116 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.379 25.744 15.344 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.964 26.502 15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.836 26.254 13.701 1.00 0.00 H new ATOM 521 N VAL A 34 6.651 23.792 11.938 1.00 0.00 N ATOM 522 CA VAL A 34 7.477 23.771 10.742 1.00 0.00 C ATOM 523 C VAL A 34 7.984 22.356 10.490 1.00 0.00 C ATOM 524 O VAL A 34 7.971 21.869 9.361 1.00 0.00 O ATOM 525 CB VAL A 34 8.655 24.740 10.908 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.949 24.106 10.390 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.373 26.015 10.115 1.00 0.00 C ATOM 0 H VAL A 34 7.054 24.298 12.727 1.00 0.00 H new ATOM 0 HA VAL A 34 6.882 24.087 9.885 1.00 0.00 H new ATOM 0 HB VAL A 34 8.773 24.971 11.967 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.774 24.808 10.516 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.158 23.196 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.837 23.863 9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.207 26.707 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.249 25.768 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.461 26.481 10.488 1.00 0.00 H new ATOM 537 N ALA A 35 8.425 21.703 11.556 1.00 0.00 N ATOM 538 CA ALA A 35 8.935 20.345 11.445 1.00 0.00 C ATOM 539 C ALA A 35 7.841 19.395 10.965 1.00 0.00 C ATOM 540 O ALA A 35 8.086 18.522 10.143 1.00 0.00 O ATOM 541 CB ALA A 35 9.478 19.878 12.796 1.00 0.00 C ATOM 0 H ALA A 35 8.440 22.088 12.500 1.00 0.00 H new ATOM 0 HA ALA A 35 9.743 20.339 10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.858 18.860 12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.285 20.539 13.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.679 19.901 13.537 1.00 0.00 H new ATOM 689 N ASN A 45 12.351 26.701 7.692 1.00 0.00 N ATOM 690 CA ASN A 45 11.027 27.073 8.167 1.00 0.00 C ATOM 691 C ASN A 45 10.088 27.348 6.999 1.00 0.00 C ATOM 692 O ASN A 45 9.262 28.259 7.058 1.00 0.00 O ATOM 693 CB ASN A 45 11.127 28.314 9.057 1.00 0.00 C ATOM 694 CG ASN A 45 12.238 28.118 10.081 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.348 28.620 9.898 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.011 27.407 11.150 1.00 0.00 N ATOM 0 HA ASN A 45 10.622 26.242 8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.330 29.195 8.449 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.178 28.488 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.753 27.266 11.836 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.092 26.992 11.301 1.00 0.00 H new ATOM 703 N GLN A 46 10.217 26.546 5.944 1.00 0.00 N ATOM 704 CA GLN A 46 9.365 26.693 4.767 1.00 0.00 C ATOM 705 C GLN A 46 9.600 28.029 4.068 1.00 0.00 C ATOM 706 O GLN A 46 8.647 28.718 3.712 1.00 0.00 O ATOM 707 CB GLN A 46 7.896 26.623 5.184 1.00 0.00 C ATOM 708 CG GLN A 46 7.608 25.306 5.899 1.00 0.00 C ATOM 709 CD GLN A 46 6.140 25.269 6.300 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.822 25.138 7.558 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.262 25.380 5.446 1.00 0.00 N flip ATOM 0 H GLN A 46 10.900 25.791 5.880 1.00 0.00 H new ATOM 0 HA GLN A 46 9.613 25.885 4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.657 27.460 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.257 26.714 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.841 24.465 5.246 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.241 25.210 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.516 25.482 4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.280 25.370 5.720 1.00 0.00 H new ATOM 720 N LEU A 47 10.853 28.410 3.881 1.00 0.00 N ATOM 721 CA LEU A 47 11.144 29.689 3.245 1.00 0.00 C ATOM 722 C LEU A 47 10.219 29.964 2.053 1.00 0.00 C ATOM 723 O LEU A 47 9.573 31.009 2.005 1.00 0.00 O ATOM 724 CB LEU A 47 12.609 29.736 2.799 1.00 0.00 C ATOM 725 CG LEU A 47 13.499 30.064 4.003 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.935 29.613 3.725 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.487 31.576 4.249 1.00 0.00 C ATOM 0 H LEU A 47 11.672 27.866 4.153 1.00 0.00 H new ATOM 0 HA LEU A 47 10.965 30.470 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.900 28.778 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.740 30.488 2.021 1.00 0.00 H new ATOM 0 HG LEU A 47 13.118 29.543 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.563 29.849 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.951 28.538 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.315 30.131 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.120 31.810 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.866 32.091 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.467 31.904 4.451 1.00 0.00 H new ATOM 739 N ASP A 48 10.176 29.053 1.083 1.00 0.00 N ATOM 740 CA ASP A 48 9.342 29.263 -0.105 1.00 0.00 C ATOM 741 C ASP A 48 7.851 29.377 0.230 1.00 0.00 C ATOM 742 O ASP A 48 7.208 30.365 -0.128 1.00 0.00 O ATOM 743 CB ASP A 48 9.539 28.120 -1.101 1.00 0.00 C ATOM 744 CG ASP A 48 8.870 28.476 -2.424 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.540 29.637 -2.604 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 8.697 27.585 -3.238 1.00 0.00 O ATOM 0 H ASP A 48 10.698 28.176 1.091 1.00 0.00 H new ATOM 0 HA ASP A 48 9.661 30.209 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.602 27.939 -1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.113 27.199 -0.702 1.00 0.00 H new ATOM 751 N LEU A 49 7.294 28.372 0.901 1.00 0.00 N ATOM 752 CA LEU A 49 5.870 28.414 1.238 1.00 0.00 C ATOM 753 C LEU A 49 5.583 29.507 2.259 1.00 0.00 C ATOM 754 O LEU A 49 4.601 30.237 2.130 1.00 0.00 O ATOM 755 CB LEU A 49 5.392 27.063 1.774 1.00 0.00 C ATOM 756 CG LEU A 49 5.459 26.014 0.663 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.925 24.679 1.189 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.599 26.470 -0.517 1.00 0.00 C ATOM 0 H LEU A 49 7.790 27.538 1.216 1.00 0.00 H new ATOM 0 HA LEU A 49 5.323 28.639 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.012 26.755 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.371 27.149 2.145 1.00 0.00 H new ATOM 0 HG LEU A 49 6.493 25.893 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.972 23.931 0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.531 24.352 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.891 24.802 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.645 25.724 -1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.566 26.589 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.972 27.423 -0.893 1.00 0.00 H new ATOM 770 N LEU A 50 6.433 29.618 3.276 1.00 0.00 N ATOM 771 CA LEU A 50 6.225 30.635 4.299 1.00 0.00 C ATOM 772 C LEU A 50 6.210 32.005 3.637 1.00 0.00 C ATOM 773 O LEU A 50 5.393 32.858 3.979 1.00 0.00 O ATOM 774 CB LEU A 50 7.342 30.581 5.350 1.00 0.00 C ATOM 775 CG LEU A 50 6.811 31.051 6.709 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.979 31.208 7.686 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.100 32.394 6.549 1.00 0.00 C ATOM 0 H LEU A 50 7.255 29.030 3.412 1.00 0.00 H new ATOM 0 HA LEU A 50 5.274 30.450 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.725 29.564 5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.175 31.211 5.039 1.00 0.00 H new ATOM 0 HG LEU A 50 6.107 30.314 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.602 31.542 8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.485 30.250 7.805 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.683 31.944 7.297 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.724 32.724 7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.801 33.133 6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.267 32.284 5.855 1.00 0.00 H new ATOM 789 N HIS A 51 7.118 32.210 2.682 1.00 0.00 N ATOM 790 CA HIS A 51 7.197 33.477 1.974 1.00 0.00 C ATOM 791 C HIS A 51 5.883 33.789 1.270 1.00 0.00 C ATOM 792 O HIS A 51 5.346 34.888 1.407 1.00 0.00 O ATOM 793 CB HIS A 51 8.326 33.410 0.946 1.00 0.00 C ATOM 794 CG HIS A 51 9.648 33.473 1.658 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.747 33.839 2.989 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.934 33.250 1.234 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.053 33.834 3.314 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.819 33.480 2.281 1.00 0.00 N ATOM 0 H HIS A 51 7.804 31.515 2.386 1.00 0.00 H new ATOM 0 HA HIS A 51 7.396 34.269 2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.254 32.488 0.369 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.240 34.236 0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 51 11.216 32.942 0.238 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.435 34.086 4.292 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.835 33.396 2.263 1.00 0.00 H new ATOM 807 N LYS A 52 5.362 32.819 0.522 1.00 0.00 N ATOM 808 CA LYS A 52 4.105 33.027 -0.184 1.00 0.00 C ATOM 809 C LYS A 52 3.000 33.326 0.822 1.00 0.00 C ATOM 810 O LYS A 52 2.220 34.260 0.640 1.00 0.00 O ATOM 811 CB LYS A 52 3.751 31.787 -1.011 1.00 0.00 C ATOM 812 CG LYS A 52 4.774 31.622 -2.140 1.00 0.00 C ATOM 813 CD LYS A 52 4.425 30.386 -2.976 1.00 0.00 C ATOM 814 CE LYS A 52 3.209 30.683 -3.857 1.00 0.00 C ATOM 815 NZ LYS A 52 1.967 30.263 -3.151 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.783 31.899 0.392 1.00 0.00 H new ATOM 0 HA LYS A 52 4.209 33.874 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.747 30.901 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.748 31.886 -1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.780 32.510 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.776 31.520 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.275 30.104 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.214 29.541 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.166 31.747 -4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.297 30.154 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.508 29.495 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.207 29.928 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.317 31.072 -3.081 1.00 0.00 H new ATOM 829 N TRP A 53 2.952 32.538 1.890 1.00 0.00 N ATOM 830 CA TRP A 53 1.954 32.736 2.934 1.00 0.00 C ATOM 831 C TRP A 53 2.014 34.181 3.424 1.00 0.00 C ATOM 832 O TRP A 53 1.016 34.900 3.420 1.00 0.00 O ATOM 833 CB TRP A 53 2.272 31.782 4.092 1.00 0.00 C ATOM 834 CG TRP A 53 1.097 31.636 5.002 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.087 30.754 4.828 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.805 32.356 6.234 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.809 30.889 5.873 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.412 31.865 6.765 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.468 33.381 6.935 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.949 32.372 7.949 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.930 33.891 8.127 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.276 33.388 8.633 1.00 0.00 C ATOM 0 H TRP A 53 3.590 31.759 2.055 1.00 0.00 H new ATOM 0 HA TRP A 53 0.955 32.534 2.548 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.554 30.806 3.697 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.127 32.158 4.654 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.005 30.058 4.007 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.660 30.335 5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.397 33.778 6.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.879 31.982 8.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.449 34.676 8.657 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.685 33.785 9.550 1.00 0.00 H new ATOM 853 N LEU A 54 3.202 34.580 3.857 1.00 0.00 N ATOM 854 CA LEU A 54 3.406 35.929 4.372 1.00 0.00 C ATOM 855 C LEU A 54 2.971 36.967 3.340 1.00 0.00 C ATOM 856 O LEU A 54 2.229 37.897 3.654 1.00 0.00 O ATOM 857 CB LEU A 54 4.882 36.156 4.695 1.00 0.00 C ATOM 858 CG LEU A 54 5.019 37.388 5.591 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.729 36.999 7.041 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.442 37.938 5.493 1.00 0.00 C ATOM 0 H LEU A 54 4.036 33.993 3.863 1.00 0.00 H new ATOM 0 HA LEU A 54 2.807 36.036 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.296 35.280 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.450 36.296 3.775 1.00 0.00 H new ATOM 0 HG LEU A 54 4.310 38.150 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.827 37.877 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.715 36.606 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.438 36.236 7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.538 38.816 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.150 37.175 5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.654 38.216 4.461 1.00 0.00 H new ATOM 872 N ASP A 55 3.445 36.806 2.109 1.00 0.00 N ATOM 873 CA ASP A 55 3.110 37.739 1.040 1.00 0.00 C ATOM 874 C ASP A 55 1.600 37.868 0.871 1.00 0.00 C ATOM 875 O ASP A 55 1.079 38.970 0.707 1.00 0.00 O ATOM 876 CB ASP A 55 3.729 37.262 -0.274 1.00 0.00 C ATOM 877 CG ASP A 55 5.247 37.275 -0.166 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.788 38.318 0.165 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 5.848 36.243 -0.417 1.00 0.00 O ATOM 0 H ASP A 55 4.059 36.042 1.828 1.00 0.00 H new ATOM 0 HA ASP A 55 3.511 38.717 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.381 36.255 -0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.408 37.907 -1.092 1.00 0.00 H new ATOM 884 N ARG A 56 0.900 36.740 0.908 1.00 0.00 N ATOM 885 CA ARG A 56 -0.551 36.738 0.755 1.00 0.00 C ATOM 886 C ARG A 56 -1.233 37.478 1.899 1.00 0.00 C ATOM 887 O ARG A 56 -2.284 38.092 1.717 1.00 0.00 O ATOM 888 CB ARG A 56 -1.055 35.292 0.702 1.00 0.00 C ATOM 889 CG ARG A 56 -2.573 35.280 0.510 1.00 0.00 C ATOM 890 CD ARG A 56 -3.062 33.835 0.390 1.00 0.00 C ATOM 891 NE ARG A 56 -4.467 33.813 0.002 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.991 32.766 -0.628 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.255 31.719 -0.884 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.245 32.785 -0.987 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.312 35.817 1.042 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.797 37.254 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.571 34.758 -0.116 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.791 34.771 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.060 35.771 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.841 35.841 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.464 33.301 -0.348 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.931 33.318 1.341 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.059 34.615 0.218 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.275 31.703 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.660 30.917 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.821 33.602 -0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.649 31.983 -1.470 1.00 0.00 H new ATOM 908 N HIS A 57 -0.639 37.398 3.083 1.00 0.00 N ATOM 909 CA HIS A 57 -1.209 38.045 4.260 1.00 0.00 C ATOM 910 C HIS A 57 -0.369 39.240 4.697 1.00 0.00 C ATOM 911 O HIS A 57 -0.488 39.701 5.828 1.00 0.00 O ATOM 912 CB HIS A 57 -1.290 37.040 5.411 1.00 0.00 C ATOM 913 CG HIS A 57 -2.033 35.813 4.957 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.389 35.832 4.669 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.621 34.523 4.730 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.741 34.590 4.289 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.700 33.752 4.308 1.00 0.00 N ATOM 0 H HIS A 57 0.232 36.895 3.254 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.206 38.400 4.000 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.287 36.769 5.742 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.797 37.489 6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.612 34.161 4.859 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.743 34.305 4.003 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.697 32.761 4.066 1.00 0.00 H new ATOM 926 N ARG A 58 0.473 39.740 3.803 1.00 0.00 N ATOM 927 CA ARG A 58 1.317 40.884 4.127 1.00 0.00 C ATOM 928 C ARG A 58 0.478 42.057 4.628 1.00 0.00 C ATOM 929 O ARG A 58 0.903 42.807 5.509 1.00 0.00 O ATOM 930 CB ARG A 58 2.087 41.313 2.886 1.00 0.00 C ATOM 931 CG ARG A 58 1.099 41.857 1.855 1.00 0.00 C ATOM 932 CD ARG A 58 1.793 41.992 0.503 1.00 0.00 C ATOM 933 NE ARG A 58 3.071 42.685 0.652 1.00 0.00 N ATOM 934 CZ ARG A 58 4.089 42.422 -0.160 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.950 41.537 -1.108 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.226 43.046 -0.016 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.590 39.377 2.857 1.00 0.00 H new ATOM 0 HA ARG A 58 2.009 40.589 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.822 42.076 3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.637 40.468 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.242 41.189 1.770 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.718 42.826 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.956 41.005 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.153 42.541 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 58 3.183 43.380 1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.062 41.049 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.730 41.333 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.337 43.740 0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.004 42.840 -0.643 1.00 0.00 H new ATOM 950 N ASP A 59 -0.706 42.214 4.048 1.00 0.00 N ATOM 951 CA ASP A 59 -1.601 43.305 4.421 1.00 0.00 C ATOM 952 C ASP A 59 -1.953 43.234 5.902 1.00 0.00 C ATOM 953 O ASP A 59 -2.231 44.252 6.534 1.00 0.00 O ATOM 954 CB ASP A 59 -2.888 43.232 3.595 1.00 0.00 C ATOM 955 CG ASP A 59 -3.743 42.058 4.064 1.00 0.00 C ATOM 956 OD1 ASP A 59 -4.507 42.245 4.998 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.624 40.991 3.484 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.069 41.601 3.318 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.088 44.246 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.447 44.162 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.646 43.117 2.538 1.00 0.00 H new ATOM 962 N MET A 60 -1.947 42.024 6.446 1.00 0.00 N ATOM 963 CA MET A 60 -2.278 41.828 7.850 1.00 0.00 C ATOM 964 C MET A 60 -1.346 42.638 8.745 1.00 0.00 C ATOM 965 O MET A 60 -1.739 43.070 9.825 1.00 0.00 O ATOM 966 CB MET A 60 -2.163 40.348 8.206 1.00 0.00 C ATOM 967 CG MET A 60 -0.697 40.005 8.468 1.00 0.00 C ATOM 968 SD MET A 60 -0.442 38.228 8.224 1.00 0.00 S ATOM 969 CE MET A 60 1.354 38.269 7.994 1.00 0.00 C ATOM 0 H MET A 60 -1.718 41.169 5.940 1.00 0.00 H new ATOM 0 HA MET A 60 -3.301 42.168 8.012 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.764 40.126 9.088 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.552 39.735 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.054 40.572 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.422 40.287 9.484 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.771 37.286 8.214 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.583 38.538 6.963 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.790 39.007 8.667 1.00 0.00 H new ATOM 979 N CYS A 61 -0.116 42.843 8.284 1.00 0.00 N ATOM 980 CA CYS A 61 0.871 43.604 9.049 1.00 0.00 C ATOM 981 C CYS A 61 0.373 45.020 9.292 1.00 0.00 C ATOM 982 O CYS A 61 0.753 45.667 10.266 1.00 0.00 O ATOM 983 CB CYS A 61 2.197 43.655 8.290 1.00 0.00 C ATOM 984 SG CYS A 61 2.031 44.747 6.856 1.00 0.00 S ATOM 0 H CYS A 61 0.222 42.495 7.387 1.00 0.00 H new ATOM 0 HA CYS A 61 1.022 43.108 10.008 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.990 44.016 8.945 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.482 42.654 7.967 1.00 0.00 H new ATOM 0 HG CYS A 61 1.483 44.094 5.874 1.00 0.00 H new ATOM 990 N GLU A 62 -0.470 45.496 8.393 1.00 0.00 N ATOM 991 CA GLU A 62 -1.012 46.840 8.504 1.00 0.00 C ATOM 992 C GLU A 62 -2.069 46.909 9.607 1.00 0.00 C ATOM 993 O GLU A 62 -2.469 47.996 10.023 1.00 0.00 O ATOM 994 CB GLU A 62 -1.628 47.249 7.164 1.00 0.00 C ATOM 995 CG GLU A 62 -0.569 47.122 6.065 1.00 0.00 C ATOM 996 CD GLU A 62 -1.125 47.608 4.730 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.300 47.937 4.683 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.368 47.645 3.773 1.00 0.00 O ATOM 0 H GLU A 62 -0.794 44.974 7.579 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.205 47.526 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.485 46.615 6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.995 48.274 7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.313 47.704 6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.250 46.083 5.977 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.525 45.748 10.080 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.540 45.705 11.129 1.00 0.00 C ATOM 1007 C LYS A 63 -2.905 45.758 12.519 1.00 0.00 C ATOM 1008 O LYS A 63 -3.545 45.398 13.507 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.350 44.412 11.021 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.061 44.338 9.670 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.906 43.061 9.624 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.927 43.087 10.765 1.00 0.00 C ATOM 1013 NZ LYS A 63 -8.159 42.355 10.357 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.210 44.834 9.756 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.185 46.573 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.691 43.552 11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.082 44.366 11.827 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.694 45.214 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.332 44.337 8.860 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.418 42.984 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.265 42.184 9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.500 42.630 11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.173 44.117 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.849 42.376 11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.571 42.810 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.919 41.368 10.134 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.665 46.230 12.603 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.002 46.340 13.900 1.00 0.00 C ATOM 1029 C TRP A 64 0.320 47.101 13.805 1.00 0.00 C ATOM 1030 O TRP A 64 0.654 47.886 14.692 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.748 44.957 14.515 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.905 43.876 13.492 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.178 43.763 12.359 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.822 42.742 13.504 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.587 42.631 11.676 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.602 41.972 12.338 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.815 42.315 14.403 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.337 40.815 12.076 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.558 41.151 14.142 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.320 40.404 12.979 1.00 0.00 C ATOM 0 H TRP A 64 -1.107 46.537 11.806 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.678 46.901 14.544 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.257 44.921 14.935 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.443 44.788 15.337 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.596 44.445 12.039 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.186 42.321 10.790 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.008 42.885 15.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.147 40.241 11.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.316 40.830 14.841 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.896 39.512 12.782 1.00 0.00 H new ATOM 1051 N LYS A 65 1.080 46.850 12.746 1.00 0.00 N ATOM 1052 CA LYS A 65 2.370 47.509 12.583 1.00 0.00 C ATOM 1053 C LYS A 65 3.302 47.087 13.720 1.00 0.00 C ATOM 1054 O LYS A 65 4.458 47.506 13.786 1.00 0.00 O ATOM 1055 CB LYS A 65 2.186 49.028 12.595 1.00 0.00 C ATOM 1056 CG LYS A 65 3.442 49.703 12.041 1.00 0.00 C ATOM 1057 CD LYS A 65 3.252 51.223 12.044 1.00 0.00 C ATOM 1058 CE LYS A 65 3.132 51.715 13.487 1.00 0.00 C ATOM 1059 NZ LYS A 65 3.453 53.169 13.549 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.831 46.204 11.997 1.00 0.00 H new ATOM 0 HA LYS A 65 2.808 47.216 11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.319 49.304 11.995 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.994 49.373 13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.308 49.433 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.638 49.353 11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.095 51.707 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.358 51.490 11.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.123 51.539 13.859 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.811 51.155 14.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.371 53.501 14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.424 53.325 13.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.788 53.697 12.948 1.00 0.00 H new ATOM 1073 N SER A 66 2.774 46.247 14.608 1.00 0.00 N ATOM 1074 CA SER A 66 3.534 45.744 15.749 1.00 0.00 C ATOM 1075 C SER A 66 4.378 44.540 15.342 1.00 0.00 C ATOM 1076 O SER A 66 4.240 44.025 14.235 1.00 0.00 O ATOM 1077 CB SER A 66 2.575 45.342 16.865 1.00 0.00 C ATOM 1078 OG SER A 66 1.753 44.275 16.407 1.00 0.00 O ATOM 0 H SER A 66 1.817 45.899 14.558 1.00 0.00 H new ATOM 0 HA SER A 66 4.198 46.533 16.102 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.134 45.034 17.749 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.959 46.193 17.157 1.00 0.00 H new ATOM 0 HG SER A 66 0.871 44.336 16.831 1.00 0.00 H new ATOM 1084 N LYS A 67 5.260 44.102 16.238 1.00 0.00 N ATOM 1085 CA LYS A 67 6.126 42.961 15.944 1.00 0.00 C ATOM 1086 C LYS A 67 5.718 41.699 16.708 1.00 0.00 C ATOM 1087 O LYS A 67 5.289 40.703 16.116 1.00 0.00 O ATOM 1088 CB LYS A 67 7.577 43.306 16.288 1.00 0.00 C ATOM 1089 CG LYS A 67 8.455 42.073 16.060 1.00 0.00 C ATOM 1090 CD LYS A 67 9.920 42.428 16.331 1.00 0.00 C ATOM 1091 CE LYS A 67 10.834 41.357 15.723 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.163 41.961 15.421 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.394 44.513 17.162 1.00 0.00 H new ATOM 0 HA LYS A 67 6.023 42.752 14.879 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.923 44.133 15.669 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.650 43.632 17.325 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.139 41.263 16.717 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.340 41.717 15.036 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.153 43.403 15.904 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.094 42.501 17.405 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.949 40.524 16.416 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.388 40.955 14.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.914 41.371 15.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.292 42.018 14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.211 42.916 15.829 1.00 0.00 H new ATOM 1106 N GLU A 68 5.886 41.739 18.024 1.00 0.00 N ATOM 1107 CA GLU A 68 5.570 40.585 18.862 1.00 0.00 C ATOM 1108 C GLU A 68 4.095 40.204 18.777 1.00 0.00 C ATOM 1109 O GLU A 68 3.755 39.020 18.754 1.00 0.00 O ATOM 1110 CB GLU A 68 5.929 40.889 20.316 1.00 0.00 C ATOM 1111 CG GLU A 68 5.672 39.648 21.173 1.00 0.00 C ATOM 1112 CD GLU A 68 6.713 38.578 20.863 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.774 38.935 20.379 1.00 0.00 O ATOM 1114 OE2 GLU A 68 6.434 37.417 21.117 1.00 0.00 O1- ATOM 0 H GLU A 68 6.236 42.551 18.533 1.00 0.00 H new ATOM 0 HA GLU A 68 6.157 39.743 18.495 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.975 41.185 20.390 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.335 41.726 20.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.712 39.911 22.230 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.672 39.262 20.978 1.00 0.00 H new ATOM 1121 N ASP A 69 3.219 41.198 18.743 1.00 0.00 N ATOM 1122 CA ASP A 69 1.790 40.911 18.674 1.00 0.00 C ATOM 1123 C ASP A 69 1.453 40.147 17.401 1.00 0.00 C ATOM 1124 O ASP A 69 0.688 39.183 17.436 1.00 0.00 O ATOM 1125 CB ASP A 69 0.976 42.203 18.745 1.00 0.00 C ATOM 1126 CG ASP A 69 1.010 42.763 20.164 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.689 42.181 20.994 1.00 0.00 O ATOM 1128 OD2 ASP A 69 0.347 43.760 20.404 1.00 0.00 O1- ATOM 0 H ASP A 69 3.462 42.188 18.761 1.00 0.00 H new ATOM 0 HA ASP A 69 1.530 40.288 19.530 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.379 42.936 18.046 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.054 42.011 18.446 1.00 0.00 H new ATOM 1133 N ILE A 70 2.027 40.566 16.279 1.00 0.00 N ATOM 1134 CA ILE A 70 1.765 39.880 15.019 1.00 0.00 C ATOM 1135 C ILE A 70 2.160 38.415 15.134 1.00 0.00 C ATOM 1136 O ILE A 70 1.444 37.531 14.666 1.00 0.00 O ATOM 1137 CB ILE A 70 2.545 40.525 13.872 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.102 41.978 13.705 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.270 39.753 12.579 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.881 42.618 12.552 1.00 0.00 C ATOM 0 H ILE A 70 2.664 41.360 16.215 1.00 0.00 H new ATOM 0 HA ILE A 70 0.699 39.959 14.806 1.00 0.00 H new ATOM 0 HB ILE A 70 3.612 40.498 14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.032 42.023 13.504 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.277 42.531 14.628 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.824 40.209 11.758 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.587 38.717 12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.203 39.783 12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.566 43.655 12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.948 42.586 12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.684 42.069 11.631 1.00 0.00 H new ATOM 1152 N LEU A 71 3.305 38.165 15.761 1.00 0.00 N ATOM 1153 CA LEU A 71 3.784 36.798 15.929 1.00 0.00 C ATOM 1154 C LEU A 71 2.753 35.935 16.648 1.00 0.00 C ATOM 1155 O LEU A 71 2.533 34.783 16.278 1.00 0.00 O ATOM 1156 CB LEU A 71 5.077 36.801 16.737 1.00 0.00 C ATOM 1157 CG LEU A 71 6.185 37.487 15.939 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.476 37.480 16.757 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.413 36.727 14.632 1.00 0.00 C ATOM 0 H LEU A 71 3.912 38.882 16.157 1.00 0.00 H new ATOM 0 HA LEU A 71 3.959 36.380 14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.924 37.319 17.684 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.369 35.779 16.977 1.00 0.00 H new ATOM 0 HG LEU A 71 5.895 38.514 15.720 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.268 37.969 16.190 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.316 38.015 17.693 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.765 36.451 16.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.203 37.214 14.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.706 35.701 14.854 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.493 36.723 14.048 1.00 0.00 H new ATOM 1171 N HIS A 72 2.123 36.495 17.674 1.00 0.00 N ATOM 1172 CA HIS A 72 1.119 35.754 18.430 1.00 0.00 C ATOM 1173 C HIS A 72 -0.045 35.363 17.527 1.00 0.00 C ATOM 1174 O HIS A 72 -0.538 34.234 17.583 1.00 0.00 O ATOM 1175 CB HIS A 72 0.601 36.598 19.598 1.00 0.00 C ATOM 1176 CG HIS A 72 1.571 36.520 20.745 1.00 0.00 C ATOM 1177 ND1 HIS A 72 2.885 36.116 20.573 1.00 0.00 N ATOM 1178 CD2 HIS A 72 1.434 36.790 22.085 1.00 0.00 C ATOM 1179 CE1 HIS A 72 3.482 36.152 21.778 1.00 0.00 C ATOM 1180 NE2 HIS A 72 2.643 36.556 22.735 1.00 0.00 N ATOM 0 H HIS A 72 2.286 37.448 17.999 1.00 0.00 H new ATOM 0 HA HIS A 72 1.585 34.850 18.822 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.476 37.634 19.284 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.379 36.240 19.912 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.527 37.132 22.562 1.00 0.00 H new ATOM 0 HE1 HIS A 72 4.515 35.886 21.950 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.844 36.669 23.729 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.475 36.306 16.693 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.580 36.051 15.778 1.00 0.00 C ATOM 1191 C LYS A 73 -1.226 34.906 14.841 1.00 0.00 C ATOM 1192 O LYS A 73 -1.998 33.962 14.674 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.872 37.304 14.952 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.098 38.496 15.884 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.295 38.224 16.794 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.778 39.539 17.413 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.958 39.365 18.882 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.079 37.244 16.633 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.462 35.784 16.360 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.040 37.509 14.279 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.753 37.144 14.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.206 38.673 16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.273 39.399 15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.100 37.761 16.224 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.016 37.522 17.579 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.056 40.332 17.216 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.719 39.844 16.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.286 40.259 19.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.662 38.621 19.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.051 39.093 19.313 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.057 35.007 14.220 1.00 0.00 N ATOM 1212 CA LEU A 74 0.385 33.977 13.290 1.00 0.00 C ATOM 1213 C LEU A 74 0.415 32.613 13.968 1.00 0.00 C ATOM 1214 O LEU A 74 -0.004 31.620 13.379 1.00 0.00 O ATOM 1215 CB LEU A 74 1.778 34.303 12.747 1.00 0.00 C ATOM 1216 CG LEU A 74 1.676 35.315 11.602 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.483 36.720 12.167 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.966 35.278 10.781 1.00 0.00 C ATOM 0 H LEU A 74 0.595 35.782 14.342 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.325 33.949 12.464 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.402 34.707 13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.261 33.392 12.395 1.00 0.00 H new ATOM 0 HG LEU A 74 0.825 35.059 10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.411 37.435 11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.568 36.752 12.758 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.332 36.978 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.898 35.997 9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.811 35.533 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.109 34.278 10.373 1.00 0.00 H new ATOM 1230 N ASN A 75 0.906 32.558 15.201 1.00 0.00 N ATOM 1231 CA ASN A 75 0.971 31.285 15.911 1.00 0.00 C ATOM 1232 C ASN A 75 -0.401 30.620 15.958 1.00 0.00 C ATOM 1233 O ASN A 75 -0.526 29.429 15.672 1.00 0.00 O ATOM 1234 CB ASN A 75 1.487 31.495 17.335 1.00 0.00 C ATOM 1235 CG ASN A 75 2.953 31.908 17.302 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.614 31.770 16.272 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.507 32.403 18.374 1.00 0.00 N ATOM 0 H ASN A 75 1.258 33.361 15.721 1.00 0.00 H new ATOM 0 HA ASN A 75 1.659 30.634 15.372 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.896 32.262 17.836 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.372 30.577 17.911 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.490 32.677 18.360 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.958 32.516 19.226 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.430 31.388 16.307 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.782 30.833 16.373 1.00 0.00 C ATOM 1246 C GLU A 76 -3.295 30.484 14.979 1.00 0.00 C ATOM 1247 O GLU A 76 -3.950 29.458 14.786 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.746 31.821 17.026 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.104 31.137 17.214 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.148 32.145 17.679 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.789 33.293 17.880 1.00 0.00 O ATOM 1252 OE2 GLU A 76 -7.295 31.754 17.818 1.00 0.00 O1- ATOM 0 H GLU A 76 -1.359 32.377 16.545 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.733 29.927 16.976 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.354 32.151 17.988 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.854 32.710 16.404 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.422 30.682 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.015 30.333 17.945 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.999 31.342 14.007 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.445 31.103 12.638 1.00 0.00 C ATOM 1261 C GLN A 77 -2.711 29.895 12.070 1.00 0.00 C ATOM 1262 O GLN A 77 -3.301 29.050 11.399 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.175 32.344 11.781 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.952 32.244 10.466 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.886 33.574 9.720 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -4.943 34.340 9.680 1.00 0.00 O flip ATOM 1267 NE2 GLN A 77 -2.848 33.925 9.162 1.00 0.00 N flip ATOM 0 H GLN A 77 -2.460 32.198 14.138 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.516 30.902 12.632 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.472 33.243 12.322 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.108 32.432 11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.536 31.449 9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.991 31.981 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.024 33.325 9.194 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.811 34.816 8.667 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.419 29.819 12.369 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.593 28.709 11.915 1.00 0.00 C ATOM 1278 C TRP A 78 -1.214 27.388 12.368 1.00 0.00 C ATOM 1279 O TRP A 78 -1.227 26.406 11.628 1.00 0.00 O ATOM 1280 CB TRP A 78 0.811 28.847 12.512 1.00 0.00 C ATOM 1281 CG TRP A 78 1.823 28.164 11.648 1.00 0.00 C ATOM 1282 CD1 TRP A 78 1.798 26.859 11.286 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.023 28.732 11.047 1.00 0.00 C ATOM 1284 NE1 TRP A 78 2.904 26.595 10.495 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.687 27.719 10.319 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.588 30.021 11.057 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 4.878 27.971 9.632 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.786 30.279 10.368 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.429 29.257 9.655 1.00 0.00 C ATOM 0 H TRP A 78 -0.921 30.515 12.925 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.531 28.722 10.827 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.066 29.902 12.614 1.00 0.00 H new ATOM 0 HB3 TRP A 78 0.830 28.416 13.513 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.041 26.142 11.568 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.114 25.682 10.092 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.098 30.817 11.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.370 27.179 9.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.214 31.270 10.388 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.347 29.462 9.125 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.724 27.379 13.600 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.342 26.180 14.162 1.00 0.00 C ATOM 1302 C ASN A 79 -3.604 25.791 13.394 1.00 0.00 C ATOM 1303 O ASN A 79 -3.821 24.614 13.103 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.704 26.425 15.627 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.461 26.814 16.418 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -1.429 27.873 17.044 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.429 26.016 16.429 1.00 0.00 N ATOM 0 H ASN A 79 -1.721 28.185 14.225 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.623 25.364 14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.451 27.216 15.697 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.150 25.527 16.054 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.406 26.269 16.957 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.457 25.139 15.910 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.437 26.780 13.072 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.677 26.509 12.343 1.00 0.00 C ATOM 1316 C LYS A 80 -5.414 26.456 10.844 1.00 0.00 C ATOM 1317 O LYS A 80 -6.288 26.085 10.061 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.707 27.609 12.610 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.060 27.666 14.095 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.167 28.705 14.297 1.00 0.00 C ATOM 1321 CE LYS A 80 -8.402 28.931 15.790 1.00 0.00 C ATOM 1322 NZ LYS A 80 -9.467 29.960 15.972 1.00 0.00 N1+ ATOM 0 H LYS A 80 -4.280 27.762 13.300 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.060 25.549 12.688 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.311 28.572 12.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.607 27.422 12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.392 26.688 14.442 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.181 27.931 14.682 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.889 29.644 13.818 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.088 28.365 13.822 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.697 27.997 16.269 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.479 29.257 16.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.629 30.116 16.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.168 30.852 15.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.348 29.631 15.527 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.206 26.837 10.454 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.833 26.842 9.047 1.00 0.00 C ATOM 1338 C ASP A 81 -2.765 25.790 8.773 1.00 0.00 C ATOM 1339 O ASP A 81 -2.365 25.663 7.628 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.302 28.224 8.660 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.038 28.277 7.160 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.646 27.498 6.444 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -2.227 29.090 6.750 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -2.361 25.127 9.714 1.00 0.00 O ATOM 0 H ASP A 81 -3.470 27.146 11.089 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.716 26.609 8.452 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.024 28.992 8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.384 28.437 9.207 1.00 0.00 H new