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 28 ASN : amide:sc= -12.8! C(o=-17!,f=-19!) USER MOD Set 1.2: A 30 GLN : amide:sc= -3.19! C(o=-17!,f=-20!) USER MOD Set 1.3: A 75 ASN : amide:sc= -1.29 K(o=-17,f=-19!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 161:sc= 1.03 (180deg=-0.773) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -4.39 K(o=-3.4,f=-9.6!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 15 ASN :FLIP amide:sc= -1.22 F(o=-4.4!,f=-1.2) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.629 F(o=-2.3,f=-0.63) USER MOD Single : A 19 GLN : amide:sc= -7.7! C(o=-7.7!,f=-15!) USER MOD Single : A 23 SER OG : rot 90:sc= 1.22 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -7.47! C(o=-7.5!,f=-9.2!) USER MOD Single : A 46 GLN : amide:sc= -2.18 K(o=-2.2,f=-2.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.296! C(o=-0.3!,f=-5.1!) USER MOD Single : A 60 MET CE :methyl -116:sc= -0.14 (180deg=-1.25) USER MOD Single : A 61 CYS SG : rot -70:sc= -3.31! USER MOD Single : A 63 LYS NZ :NH3+ -158:sc= -0.164 (180deg=-0.843) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -170:sc= -1.32 USER MOD Single : A 67 LYS NZ :NH3+ -129:sc= -4.29! (180deg=-12!) USER MOD Single : A 72 HIS : no HE2:sc= 0.998 K(o=1,f=-4.7!) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -0.187 (180deg=-0.693) USER MOD Single : A 77 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.9) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.09 F(o=-2.5!,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0724) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.384 50.821 1.895 1.00 0.00 N ATOM 93 CA LYS A 8 4.444 49.420 2.281 1.00 0.00 C ATOM 94 C LYS A 8 5.886 49.012 2.538 1.00 0.00 C ATOM 95 O LYS A 8 6.817 49.779 2.282 1.00 0.00 O ATOM 96 CB LYS A 8 3.869 48.547 1.165 1.00 0.00 C ATOM 97 CG LYS A 8 4.779 48.629 -0.065 1.00 0.00 C ATOM 98 CD LYS A 8 4.207 47.754 -1.183 1.00 0.00 C ATOM 99 CE LYS A 8 3.022 48.468 -1.832 1.00 0.00 C ATOM 100 NZ LYS A 8 1.795 47.638 -1.679 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.859 49.283 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.787 47.514 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.863 48.880 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.860 49.662 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.785 48.298 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.975 47.550 -1.929 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.890 46.792 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.874 49.443 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.225 48.644 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.989 48.125 -2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.939 46.717 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.599 47.491 -0.668 1.00 0.00 H new ATOM 114 N PHE A 9 6.069 47.796 3.027 1.00 0.00 N ATOM 115 CA PHE A 9 7.404 47.291 3.297 1.00 0.00 C ATOM 116 C PHE A 9 8.072 46.893 1.982 1.00 0.00 C ATOM 117 O PHE A 9 7.414 46.382 1.076 1.00 0.00 O ATOM 118 CB PHE A 9 7.315 46.084 4.236 1.00 0.00 C ATOM 119 CG PHE A 9 6.869 46.549 5.604 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.786 47.158 6.470 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.538 46.381 6.007 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.376 47.592 7.738 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.127 46.817 7.274 1.00 0.00 C ATOM 124 CZ PHE A 9 6.045 47.425 8.139 1.00 0.00 C ATOM 0 H PHE A 9 5.315 47.144 3.244 1.00 0.00 H new ATOM 0 HA PHE A 9 8.001 48.066 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.611 45.352 3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.284 45.590 4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.812 47.293 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.828 45.915 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.087 48.055 8.406 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.101 46.684 7.584 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.727 47.764 9.114 1.00 0.00 H new ATOM 134 N THR A 10 9.375 47.135 1.878 1.00 0.00 N ATOM 135 CA THR A 10 10.114 46.802 0.662 1.00 0.00 C ATOM 136 C THR A 10 10.542 45.341 0.687 1.00 0.00 C ATOM 137 O THR A 10 10.554 44.715 1.747 1.00 0.00 O ATOM 138 CB THR A 10 11.346 47.701 0.548 1.00 0.00 C ATOM 139 OG1 THR A 10 12.172 47.513 1.688 1.00 0.00 O ATOM 140 CG2 THR A 10 10.906 49.164 0.466 1.00 0.00 C ATOM 0 H THR A 10 9.939 47.558 2.615 1.00 0.00 H new ATOM 0 HA THR A 10 9.467 46.962 -0.200 1.00 0.00 H new ATOM 0 HB THR A 10 11.905 47.443 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.963 48.087 1.617 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.784 49.804 0.385 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.272 49.305 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.347 49.427 1.364 1.00 0.00 H new ATOM 148 N ASP A 11 10.882 44.790 -0.476 1.00 0.00 N ATOM 149 CA ASP A 11 11.293 43.394 -0.535 1.00 0.00 C ATOM 150 C ASP A 11 12.401 43.133 0.473 1.00 0.00 C ATOM 151 O ASP A 11 12.398 42.113 1.165 1.00 0.00 O ATOM 152 CB ASP A 11 11.809 43.050 -1.935 1.00 0.00 C ATOM 153 CG ASP A 11 10.676 43.123 -2.955 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.533 43.222 -2.539 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 10.969 43.075 -4.139 1.00 0.00 O ATOM 0 H ASP A 11 10.881 45.278 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 11 10.428 42.773 -0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.604 43.741 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.241 42.049 -1.934 1.00 0.00 H new ATOM 160 N ASP A 12 13.347 44.061 0.555 1.00 0.00 N ATOM 161 CA ASP A 12 14.458 43.918 1.486 1.00 0.00 C ATOM 162 C ASP A 12 13.957 43.941 2.924 1.00 0.00 C ATOM 163 O ASP A 12 14.319 43.087 3.734 1.00 0.00 O ATOM 164 CB ASP A 12 15.457 45.059 1.278 1.00 0.00 C ATOM 165 CG ASP A 12 16.108 44.947 -0.098 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.331 43.831 -0.538 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.379 45.980 -0.688 1.00 0.00 O1- ATOM 0 H ASP A 12 13.367 44.912 -0.006 1.00 0.00 H new ATOM 0 HA ASP A 12 14.947 42.962 1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.948 46.019 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.222 45.028 2.054 1.00 0.00 H new ATOM 172 N GLU A 13 13.112 44.910 3.232 1.00 0.00 N ATOM 173 CA GLU A 13 12.559 45.019 4.572 1.00 0.00 C ATOM 174 C GLU A 13 11.678 43.820 4.865 1.00 0.00 C ATOM 175 O GLU A 13 11.666 43.288 5.974 1.00 0.00 O ATOM 176 CB GLU A 13 11.729 46.291 4.681 1.00 0.00 C ATOM 177 CG GLU A 13 12.648 47.509 4.601 1.00 0.00 C ATOM 178 CD GLU A 13 11.829 48.786 4.747 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.614 48.695 4.691 1.00 0.00 O ATOM 180 OE2 GLU A 13 12.428 49.834 4.914 1.00 0.00 O1- ATOM 0 H GLU A 13 12.796 45.627 2.579 1.00 0.00 H new ATOM 0 HA GLU A 13 13.376 45.052 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.991 46.326 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.178 46.299 5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.402 47.459 5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.179 47.513 3.649 1.00 0.00 H new ATOM 187 N TRP A 14 10.937 43.405 3.850 1.00 0.00 N ATOM 188 CA TRP A 14 10.046 42.277 3.981 1.00 0.00 C ATOM 189 C TRP A 14 10.846 41.030 4.325 1.00 0.00 C ATOM 190 O TRP A 14 10.484 40.282 5.228 1.00 0.00 O ATOM 191 CB TRP A 14 9.298 42.093 2.666 1.00 0.00 C ATOM 192 CG TRP A 14 7.992 41.418 2.911 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.581 40.300 2.281 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.922 41.794 3.829 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.326 39.957 2.754 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.883 40.844 3.710 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.754 42.850 4.748 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.720 40.937 4.467 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.579 42.948 5.512 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.565 41.989 5.375 1.00 0.00 C ATOM 0 H TRP A 14 10.939 43.838 2.926 1.00 0.00 H new ATOM 0 HA TRP A 14 9.328 42.452 4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.133 43.061 2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.899 41.500 1.976 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.139 39.760 1.530 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.795 39.147 2.434 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.533 43.588 4.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 3.939 40.199 4.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.456 43.765 6.208 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.666 42.063 5.969 1.00 0.00 H new ATOM 211 N ASN A 15 11.948 40.828 3.618 1.00 0.00 N ATOM 212 CA ASN A 15 12.800 39.679 3.881 1.00 0.00 C ATOM 213 C ASN A 15 13.268 39.696 5.331 1.00 0.00 C ATOM 214 O ASN A 15 13.354 38.661 5.985 1.00 0.00 O ATOM 215 CB ASN A 15 14.015 39.716 2.959 1.00 0.00 C ATOM 216 CG ASN A 15 13.592 39.495 1.511 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.330 39.582 1.181 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.437 39.248 0.651 1.00 0.00 N flip ATOM 0 H ASN A 15 12.270 41.437 2.866 1.00 0.00 H new ATOM 0 HA ASN A 15 12.229 38.769 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.522 40.676 3.054 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.729 38.948 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.422 39.180 0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.153 39.111 -0.319 1.00 0.00 H new ATOM 225 N GLN A 16 13.567 40.890 5.827 1.00 0.00 N ATOM 226 CA GLN A 16 14.022 41.035 7.203 1.00 0.00 C ATOM 227 C GLN A 16 12.913 40.592 8.149 1.00 0.00 C ATOM 228 O GLN A 16 13.153 39.868 9.116 1.00 0.00 O ATOM 229 CB GLN A 16 14.407 42.493 7.464 1.00 0.00 C ATOM 230 CG GLN A 16 15.584 42.861 6.557 1.00 0.00 C ATOM 231 CD GLN A 16 15.774 44.373 6.535 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.683 45.015 5.401 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.010 44.983 7.578 1.00 0.00 N flip ATOM 0 H GLN A 16 13.504 41.763 5.303 1.00 0.00 H new ATOM 0 HA GLN A 16 14.899 40.410 7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.559 43.149 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.679 42.630 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.493 42.377 6.914 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.403 42.494 5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.080 44.476 8.460 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.136 45.995 7.560 1.00 0.00 H new ATOM 242 N LEU A 17 11.691 41.012 7.849 1.00 0.00 N ATOM 243 CA LEU A 17 10.550 40.625 8.668 1.00 0.00 C ATOM 244 C LEU A 17 10.388 39.108 8.651 1.00 0.00 C ATOM 245 O LEU A 17 10.080 38.496 9.673 1.00 0.00 O ATOM 246 CB LEU A 17 9.270 41.276 8.133 1.00 0.00 C ATOM 247 CG LEU A 17 8.071 40.833 8.982 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.021 41.640 10.279 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.778 41.061 8.196 1.00 0.00 C ATOM 0 H LEU A 17 11.466 41.612 7.056 1.00 0.00 H new ATOM 0 HA LEU A 17 10.725 40.962 9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.365 42.362 8.158 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.115 40.994 7.092 1.00 0.00 H new ATOM 0 HG LEU A 17 8.177 39.775 9.221 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.167 41.319 10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.939 41.478 10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.921 42.700 10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.926 40.747 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.681 42.119 7.954 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.805 40.480 7.274 1.00 0.00 H new ATOM 261 N LYS A 18 10.588 38.503 7.480 1.00 0.00 N ATOM 262 CA LYS A 18 10.450 37.053 7.352 1.00 0.00 C ATOM 263 C LYS A 18 11.385 36.334 8.307 1.00 0.00 C ATOM 264 O LYS A 18 10.996 35.367 8.960 1.00 0.00 O ATOM 265 CB LYS A 18 10.778 36.615 5.927 1.00 0.00 C ATOM 266 CG LYS A 18 9.736 37.185 4.976 1.00 0.00 C ATOM 267 CD LYS A 18 10.069 36.759 3.547 1.00 0.00 C ATOM 268 CE LYS A 18 9.452 37.741 2.548 1.00 0.00 C ATOM 269 NZ LYS A 18 8.143 37.211 2.069 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.842 38.986 6.618 1.00 0.00 H new ATOM 0 HA LYS A 18 9.419 36.796 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.772 36.963 5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.791 35.527 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.743 36.830 5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.717 38.272 5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.150 36.723 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.691 35.754 3.361 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.312 38.714 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.126 37.889 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.583 37.986 1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.307 36.484 1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.625 36.793 2.868 1.00 0.00 H new ATOM 283 N GLN A 19 12.624 36.803 8.383 1.00 0.00 N ATOM 284 CA GLN A 19 13.590 36.170 9.263 1.00 0.00 C ATOM 285 C GLN A 19 13.160 36.299 10.717 1.00 0.00 C ATOM 286 O GLN A 19 13.296 35.355 11.486 1.00 0.00 O ATOM 287 CB GLN A 19 14.980 36.771 9.055 1.00 0.00 C ATOM 288 CG GLN A 19 15.698 35.997 7.945 1.00 0.00 C ATOM 289 CD GLN A 19 14.749 35.769 6.772 1.00 0.00 C ATOM 290 OE1 GLN A 19 13.877 36.595 6.510 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.867 34.689 6.049 1.00 0.00 N ATOM 0 H GLN A 19 12.976 37.603 7.857 1.00 0.00 H new ATOM 0 HA GLN A 19 13.635 35.109 9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.898 37.824 8.787 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.554 36.721 9.980 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.575 36.552 7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.053 35.040 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.591 34.005 6.268 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.235 34.529 5.265 1.00 0.00 H new ATOM 300 N ASP A 20 12.637 37.460 11.097 1.00 0.00 N ATOM 301 CA ASP A 20 12.200 37.651 12.471 1.00 0.00 C ATOM 302 C ASP A 20 11.071 36.681 12.822 1.00 0.00 C ATOM 303 O ASP A 20 11.075 36.083 13.896 1.00 0.00 O ATOM 304 CB ASP A 20 11.736 39.088 12.685 1.00 0.00 C ATOM 305 CG ASP A 20 12.926 40.035 12.584 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.014 39.559 12.305 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.730 41.223 12.776 1.00 0.00 O ATOM 0 H ASP A 20 12.508 38.266 10.486 1.00 0.00 H new ATOM 0 HA ASP A 20 13.047 37.449 13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.985 39.352 11.940 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.264 39.186 13.663 1.00 0.00 H new ATOM 312 N PHE A 21 10.116 36.510 11.906 1.00 0.00 N ATOM 313 CA PHE A 21 9.012 35.584 12.146 1.00 0.00 C ATOM 314 C PHE A 21 9.573 34.177 12.251 1.00 0.00 C ATOM 315 O PHE A 21 9.280 33.431 13.185 1.00 0.00 O ATOM 316 CB PHE A 21 8.010 35.642 10.989 1.00 0.00 C ATOM 317 CG PHE A 21 7.135 36.871 11.102 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.525 37.959 11.902 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.924 36.921 10.401 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.704 39.089 11.992 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.106 38.051 10.492 1.00 0.00 C ATOM 322 CZ PHE A 21 5.494 39.136 11.287 1.00 0.00 C ATOM 0 H PHE A 21 10.085 36.992 11.007 1.00 0.00 H new ATOM 0 HA PHE A 21 8.501 35.860 13.068 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.544 35.656 10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.390 34.746 10.993 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.457 37.923 12.447 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.621 36.085 9.789 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.004 39.926 12.606 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.174 38.087 9.948 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.861 40.008 11.357 1.00 0.00 H new ATOM 332 N ILE A 22 10.411 33.844 11.284 1.00 0.00 N ATOM 333 CA ILE A 22 11.060 32.548 11.250 1.00 0.00 C ATOM 334 C ILE A 22 11.879 32.334 12.513 1.00 0.00 C ATOM 335 O ILE A 22 11.777 31.300 13.173 1.00 0.00 O ATOM 336 CB ILE A 22 11.966 32.477 10.031 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.106 32.406 8.773 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.847 31.243 10.124 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.009 32.422 7.544 1.00 0.00 C ATOM 0 H ILE A 22 10.658 34.459 10.508 1.00 0.00 H new ATOM 0 HA ILE A 22 10.301 31.768 11.192 1.00 0.00 H new ATOM 0 HB ILE A 22 12.599 33.364 9.989 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.501 31.499 8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.416 33.249 8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.496 31.193 9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.457 31.298 11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.221 30.351 10.163 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.398 32.371 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.594 33.342 7.534 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.681 31.565 7.575 1.00 0.00 H new ATOM 351 N SER A 23 12.702 33.324 12.833 1.00 0.00 N ATOM 352 CA SER A 23 13.550 33.249 14.010 1.00 0.00 C ATOM 353 C SER A 23 12.709 32.949 15.243 1.00 0.00 C ATOM 354 O SER A 23 13.087 32.127 16.074 1.00 0.00 O ATOM 355 CB SER A 23 14.286 34.578 14.207 1.00 0.00 C ATOM 356 OG SER A 23 15.150 34.808 13.100 1.00 0.00 O ATOM 0 H SER A 23 12.799 34.185 12.294 1.00 0.00 H new ATOM 0 HA SER A 23 14.277 32.449 13.868 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.569 35.394 14.298 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.861 34.554 15.133 1.00 0.00 H new ATOM 0 HG SER A 23 14.666 35.300 12.404 1.00 0.00 H new ATOM 362 N GLY A 24 11.564 33.611 15.351 1.00 0.00 N ATOM 363 CA GLY A 24 10.675 33.399 16.486 1.00 0.00 C ATOM 364 C GLY A 24 10.195 31.954 16.549 1.00 0.00 C ATOM 365 O GLY A 24 9.996 31.405 17.633 1.00 0.00 O ATOM 0 H GLY A 24 11.231 34.295 14.671 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.194 33.653 17.410 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.817 34.067 16.409 1.00 0.00 H new ATOM 369 N ILE A 25 10.009 31.342 15.381 1.00 0.00 N ATOM 370 CA ILE A 25 9.546 29.959 15.320 1.00 0.00 C ATOM 371 C ILE A 25 10.667 28.987 15.677 1.00 0.00 C ATOM 372 O ILE A 25 10.432 27.966 16.321 1.00 0.00 O ATOM 373 CB ILE A 25 9.033 29.644 13.917 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.860 30.572 13.591 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.573 28.187 13.858 1.00 0.00 C ATOM 376 CD1 ILE A 25 7.436 30.373 12.135 1.00 0.00 C ATOM 0 H ILE A 25 10.170 31.778 14.473 1.00 0.00 H new ATOM 0 HA ILE A 25 8.740 29.842 16.044 1.00 0.00 H new ATOM 0 HB ILE A 25 9.830 29.797 13.189 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.022 30.363 14.256 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.148 31.610 13.758 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.207 27.961 12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.411 27.531 14.094 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.773 28.028 14.581 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.601 31.035 11.906 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.274 30.604 11.477 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.131 29.338 11.983 1.00 0.00 H new ATOM 388 N LEU A 26 11.885 29.314 15.256 1.00 0.00 N ATOM 389 CA LEU A 26 13.031 28.463 15.541 1.00 0.00 C ATOM 390 C LEU A 26 13.480 28.652 16.987 1.00 0.00 C ATOM 391 O LEU A 26 14.060 27.754 17.595 1.00 0.00 O ATOM 392 CB LEU A 26 14.179 28.789 14.573 1.00 0.00 C ATOM 393 CG LEU A 26 15.230 29.670 15.260 1.00 0.00 C ATOM 394 CD1 LEU A 26 16.116 28.803 16.164 1.00 0.00 C ATOM 395 CD2 LEU A 26 16.099 30.353 14.197 1.00 0.00 C ATOM 0 H LEU A 26 12.101 30.155 14.721 1.00 0.00 H new ATOM 0 HA LEU A 26 12.743 27.421 15.403 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.642 27.866 14.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.787 29.300 13.694 1.00 0.00 H new ATOM 0 HG LEU A 26 14.729 30.428 15.862 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.862 29.430 16.652 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.499 28.318 16.921 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.617 28.044 15.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.846 30.979 14.685 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.599 29.595 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.471 30.971 13.556 1.00 0.00 H new ATOM 407 N GLU A 27 13.198 29.831 17.528 1.00 0.00 N ATOM 408 CA GLU A 27 13.566 30.143 18.901 1.00 0.00 C ATOM 409 C GLU A 27 12.661 29.400 19.886 1.00 0.00 C ATOM 410 O GLU A 27 13.112 28.942 20.936 1.00 0.00 O ATOM 411 CB GLU A 27 13.440 31.650 19.132 1.00 0.00 C ATOM 412 CG GLU A 27 14.505 32.114 20.125 1.00 0.00 C ATOM 413 CD GLU A 27 14.197 31.560 21.508 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.109 31.032 21.681 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 15.048 31.670 22.371 1.00 0.00 O ATOM 0 H GLU A 27 12.717 30.584 17.037 1.00 0.00 H new ATOM 0 HA GLU A 27 14.596 29.826 19.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.554 32.182 18.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.447 31.887 19.513 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.490 31.778 19.800 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.535 33.203 20.158 1.00 0.00 H new ATOM 422 N ASN A 28 11.379 29.299 19.544 1.00 0.00 N ATOM 423 CA ASN A 28 10.409 28.632 20.409 1.00 0.00 C ATOM 424 C ASN A 28 10.214 27.166 20.032 1.00 0.00 C ATOM 425 O ASN A 28 10.692 26.696 18.998 1.00 0.00 O ATOM 426 CB ASN A 28 9.065 29.353 20.322 1.00 0.00 C ATOM 427 CG ASN A 28 8.505 29.226 18.910 1.00 0.00 C ATOM 428 OD1 ASN A 28 9.066 28.503 18.086 1.00 0.00 O ATOM 429 ND2 ASN A 28 7.430 29.888 18.577 1.00 0.00 N ATOM 0 H ASN A 28 10.989 29.669 18.677 1.00 0.00 H new ATOM 0 HA ASN A 28 10.799 28.668 21.426 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.365 28.927 21.041 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.188 30.404 20.582 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.053 29.807 17.633 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.967 30.486 19.261 1.00 0.00 H new ATOM 436 N GLU A 29 9.486 26.458 20.887 1.00 0.00 N ATOM 437 CA GLU A 29 9.193 25.046 20.665 1.00 0.00 C ATOM 438 C GLU A 29 8.299 24.883 19.437 1.00 0.00 C ATOM 439 O GLU A 29 8.230 23.811 18.833 1.00 0.00 O ATOM 440 CB GLU A 29 8.473 24.477 21.887 1.00 0.00 C ATOM 441 CG GLU A 29 8.480 22.948 21.830 1.00 0.00 C ATOM 442 CD GLU A 29 7.686 22.380 23.004 1.00 0.00 C ATOM 443 OE1 GLU A 29 7.129 23.166 23.754 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 7.645 21.168 23.134 1.00 0.00 O ATOM 0 H GLU A 29 9.086 26.840 21.744 1.00 0.00 H new ATOM 0 HA GLU A 29 10.129 24.511 20.503 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.962 24.818 22.800 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.447 24.844 21.919 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.047 22.609 20.889 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.505 22.579 21.861 1.00 0.00 H new ATOM 451 N GLN A 30 7.604 25.958 19.090 1.00 0.00 N ATOM 452 CA GLN A 30 6.696 25.944 17.947 1.00 0.00 C ATOM 453 C GLN A 30 7.403 25.427 16.700 1.00 0.00 C ATOM 454 O GLN A 30 6.757 25.048 15.727 1.00 0.00 O ATOM 455 CB GLN A 30 6.165 27.348 17.679 1.00 0.00 C ATOM 456 CG GLN A 30 5.449 27.864 18.927 1.00 0.00 C ATOM 457 CD GLN A 30 4.854 29.240 18.655 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.925 29.736 17.530 1.00 0.00 O ATOM 459 NE2 GLN A 30 4.271 29.891 19.624 1.00 0.00 N ATOM 0 H GLN A 30 7.650 26.850 19.582 1.00 0.00 H new ATOM 0 HA GLN A 30 5.866 25.279 18.185 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.985 28.015 17.414 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.479 27.334 16.832 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.661 27.169 19.218 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.149 27.920 19.761 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.214 29.477 20.555 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.872 30.814 19.451 1.00 0.00 H new ATOM 468 N LYS A 31 8.729 25.421 16.729 1.00 0.00 N ATOM 469 CA LYS A 31 9.488 24.949 15.580 1.00 0.00 C ATOM 470 C LYS A 31 8.943 23.599 15.122 1.00 0.00 C ATOM 471 O LYS A 31 9.107 23.213 13.972 1.00 0.00 O ATOM 472 CB LYS A 31 10.969 24.818 15.940 1.00 0.00 C ATOM 473 CG LYS A 31 11.793 24.676 14.658 1.00 0.00 C ATOM 474 CD LYS A 31 13.278 24.578 15.008 1.00 0.00 C ATOM 475 CE LYS A 31 13.534 23.289 15.790 1.00 0.00 C ATOM 476 NZ LYS A 31 14.737 22.601 15.242 1.00 0.00 N1+ ATOM 0 H LYS A 31 9.293 25.732 17.520 1.00 0.00 H new ATOM 0 HA LYS A 31 9.388 25.671 14.770 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.297 25.693 16.501 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.123 23.951 16.582 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.479 23.788 14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.619 25.532 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.878 24.589 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.581 25.441 15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.682 23.516 16.846 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.666 22.633 15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.909 21.725 15.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.579 22.371 14.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.564 23.226 15.328 1.00 0.00 H new ATOM 490 N ASP A 32 8.281 22.886 16.031 1.00 0.00 N ATOM 491 CA ASP A 32 7.708 21.589 15.691 1.00 0.00 C ATOM 492 C ASP A 32 6.679 21.751 14.577 1.00 0.00 C ATOM 493 O ASP A 32 6.523 20.871 13.730 1.00 0.00 O ATOM 494 CB ASP A 32 7.023 20.977 16.915 1.00 0.00 C ATOM 495 CG ASP A 32 5.710 21.701 17.189 1.00 0.00 C ATOM 496 OD1 ASP A 32 5.764 22.839 17.628 1.00 0.00 O ATOM 497 OD2 ASP A 32 4.671 21.109 16.949 1.00 0.00 O1- ATOM 0 H ASP A 32 8.130 23.181 16.996 1.00 0.00 H new ATOM 0 HA ASP A 32 8.512 20.932 15.358 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.836 19.917 16.746 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.677 21.050 17.784 1.00 0.00 H new ATOM 502 N LEU A 33 5.976 22.883 14.595 1.00 0.00 N ATOM 503 CA LEU A 33 4.952 23.166 13.591 1.00 0.00 C ATOM 504 C LEU A 33 5.510 22.985 12.182 1.00 0.00 C ATOM 505 O LEU A 33 4.957 22.230 11.382 1.00 0.00 O ATOM 506 CB LEU A 33 4.435 24.601 13.762 1.00 0.00 C ATOM 507 CG LEU A 33 3.267 24.626 14.753 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.733 24.141 16.127 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.743 26.058 14.876 1.00 0.00 C ATOM 0 H LEU A 33 6.097 23.617 15.292 1.00 0.00 H new ATOM 0 HA LEU A 33 4.130 22.464 13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.239 25.245 14.119 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.113 24.997 12.799 1.00 0.00 H new ATOM 0 HG LEU A 33 2.477 23.968 14.391 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.895 24.163 16.824 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.110 23.122 16.044 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.526 24.793 16.493 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.911 26.082 15.580 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.541 26.708 15.235 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.403 26.406 13.901 1.00 0.00 H new ATOM 521 N VAL A 34 6.616 23.664 11.887 1.00 0.00 N ATOM 522 CA VAL A 34 7.239 23.541 10.571 1.00 0.00 C ATOM 523 C VAL A 34 7.744 22.120 10.377 1.00 0.00 C ATOM 524 O VAL A 34 7.711 21.579 9.274 1.00 0.00 O ATOM 525 CB VAL A 34 8.408 24.525 10.443 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.319 24.394 11.659 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.222 24.202 9.186 1.00 0.00 C ATOM 0 H VAL A 34 7.093 24.296 12.530 1.00 0.00 H new ATOM 0 HA VAL A 34 6.498 23.772 9.806 1.00 0.00 H new ATOM 0 HB VAL A 34 8.012 25.539 10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.150 25.093 11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.753 24.618 12.563 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.706 23.377 11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.051 24.904 9.099 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.612 23.186 9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.583 24.286 8.307 1.00 0.00 H new ATOM 537 N ALA A 35 8.208 21.522 11.465 1.00 0.00 N ATOM 538 CA ALA A 35 8.718 20.161 11.425 1.00 0.00 C ATOM 539 C ALA A 35 7.647 19.199 10.918 1.00 0.00 C ATOM 540 O ALA A 35 7.851 18.495 9.929 1.00 0.00 O ATOM 541 CB ALA A 35 9.160 19.741 12.828 1.00 0.00 C ATOM 0 H ALA A 35 8.241 21.959 12.386 1.00 0.00 H new ATOM 0 HA ALA A 35 9.568 20.126 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.542 18.721 12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.944 20.412 13.179 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.309 19.790 13.507 1.00 0.00 H new ATOM 689 N ASN A 45 11.939 26.366 8.092 1.00 0.00 N ATOM 690 CA ASN A 45 11.020 27.360 8.627 1.00 0.00 C ATOM 691 C ASN A 45 9.883 27.632 7.656 1.00 0.00 C ATOM 692 O ASN A 45 9.144 28.601 7.815 1.00 0.00 O ATOM 693 CB ASN A 45 11.773 28.655 8.906 1.00 0.00 C ATOM 694 CG ASN A 45 12.868 28.393 9.930 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.946 28.980 9.856 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.652 27.533 10.885 1.00 0.00 N ATOM 0 HA ASN A 45 10.596 26.971 9.553 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.207 29.042 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.086 29.415 9.278 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.379 27.344 11.575 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.756 27.049 10.942 1.00 0.00 H new ATOM 703 N GLN A 46 9.762 26.781 6.645 1.00 0.00 N ATOM 704 CA GLN A 46 8.717 26.948 5.644 1.00 0.00 C ATOM 705 C GLN A 46 8.930 28.241 4.864 1.00 0.00 C ATOM 706 O GLN A 46 7.981 28.972 4.606 1.00 0.00 O ATOM 707 CB GLN A 46 7.331 26.975 6.311 1.00 0.00 C ATOM 708 CG GLN A 46 7.060 25.646 7.013 1.00 0.00 C ATOM 709 CD GLN A 46 5.594 25.549 7.423 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.197 24.590 8.083 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.755 26.481 7.068 1.00 0.00 N ATOM 0 H GLN A 46 10.369 25.975 6.497 1.00 0.00 H new ATOM 0 HA GLN A 46 8.766 26.103 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.281 27.792 7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.562 27.163 5.562 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.314 24.819 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.697 25.556 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.080 27.278 6.521 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.774 26.413 7.338 1.00 0.00 H new ATOM 720 N LEU A 47 10.183 28.537 4.504 1.00 0.00 N ATOM 721 CA LEU A 47 10.482 29.764 3.769 1.00 0.00 C ATOM 722 C LEU A 47 9.587 29.934 2.546 1.00 0.00 C ATOM 723 O LEU A 47 8.916 30.954 2.399 1.00 0.00 O ATOM 724 CB LEU A 47 11.939 29.751 3.298 1.00 0.00 C ATOM 725 CG LEU A 47 12.874 30.008 4.478 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.194 29.273 4.240 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.150 31.507 4.590 1.00 0.00 C ATOM 0 H LEU A 47 10.994 27.952 4.707 1.00 0.00 H new ATOM 0 HA LEU A 47 10.302 30.594 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.173 28.789 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.089 30.512 2.533 1.00 0.00 H new ATOM 0 HG LEU A 47 12.410 29.651 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.867 29.452 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.004 28.204 4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.654 29.639 3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.817 31.692 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.618 31.860 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.212 32.039 4.747 1.00 0.00 H new ATOM 739 N ASP A 48 9.598 28.942 1.661 1.00 0.00 N ATOM 740 CA ASP A 48 8.806 29.025 0.441 1.00 0.00 C ATOM 741 C ASP A 48 7.344 29.288 0.767 1.00 0.00 C ATOM 742 O ASP A 48 6.730 30.191 0.190 1.00 0.00 O ATOM 743 CB ASP A 48 8.935 27.727 -0.355 1.00 0.00 C ATOM 744 CG ASP A 48 8.215 27.860 -1.695 1.00 0.00 C ATOM 745 OD1 ASP A 48 7.551 28.864 -1.892 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 8.338 26.955 -2.506 1.00 0.00 O ATOM 0 H ASP A 48 10.139 28.083 1.764 1.00 0.00 H new ATOM 0 HA ASP A 48 9.183 29.854 -0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.987 27.495 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.512 26.899 0.214 1.00 0.00 H new ATOM 751 N LEU A 49 6.790 28.524 1.702 1.00 0.00 N ATOM 752 CA LEU A 49 5.404 28.725 2.089 1.00 0.00 C ATOM 753 C LEU A 49 5.264 30.061 2.818 1.00 0.00 C ATOM 754 O LEU A 49 4.273 30.769 2.650 1.00 0.00 O ATOM 755 CB LEU A 49 4.927 27.588 2.994 1.00 0.00 C ATOM 756 CG LEU A 49 4.769 26.295 2.187 1.00 0.00 C ATOM 757 CD1 LEU A 49 3.454 26.330 1.412 1.00 0.00 C ATOM 758 CD2 LEU A 49 5.934 26.152 1.207 1.00 0.00 C ATOM 0 H LEU A 49 7.271 27.773 2.197 1.00 0.00 H new ATOM 0 HA LEU A 49 4.787 28.734 1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.641 27.434 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.976 27.856 3.455 1.00 0.00 H new ATOM 0 HG LEU A 49 4.765 25.446 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.345 25.409 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.622 26.424 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.455 27.182 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.818 25.231 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.943 27.003 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.873 26.119 1.760 1.00 0.00 H new ATOM 770 N LEU A 50 6.266 30.395 3.639 1.00 0.00 N ATOM 771 CA LEU A 50 6.228 31.648 4.389 1.00 0.00 C ATOM 772 C LEU A 50 6.139 32.831 3.434 1.00 0.00 C ATOM 773 O LEU A 50 5.324 33.730 3.642 1.00 0.00 O ATOM 774 CB LEU A 50 7.477 31.804 5.266 1.00 0.00 C ATOM 775 CG LEU A 50 7.185 31.338 6.698 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.434 31.536 7.559 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.042 32.167 7.292 1.00 0.00 C ATOM 0 H LEU A 50 7.097 29.825 3.797 1.00 0.00 H new ATOM 0 HA LEU A 50 5.347 31.625 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.298 31.222 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.796 32.846 5.274 1.00 0.00 H new ATOM 0 HG LEU A 50 6.903 30.285 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.230 31.206 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.257 30.952 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.706 32.591 7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.839 31.831 8.309 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.325 33.219 7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.147 32.041 6.683 1.00 0.00 H new ATOM 789 N HIS A 51 6.968 32.839 2.387 1.00 0.00 N ATOM 790 CA HIS A 51 6.938 33.939 1.433 1.00 0.00 C ATOM 791 C HIS A 51 5.543 34.076 0.838 1.00 0.00 C ATOM 792 O HIS A 51 4.982 35.170 0.802 1.00 0.00 O ATOM 793 CB HIS A 51 7.940 33.696 0.296 1.00 0.00 C ATOM 794 CG HIS A 51 9.357 33.801 0.801 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.949 35.017 1.110 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.320 32.847 1.025 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.214 34.764 1.501 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.491 33.458 1.469 1.00 0.00 N ATOM 0 H HIS A 51 7.653 32.111 2.185 1.00 0.00 H new ATOM 0 HA HIS A 51 7.207 34.853 1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.775 32.709 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.778 34.423 -0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.189 31.785 0.879 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.918 35.525 1.803 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.371 33.005 1.716 1.00 0.00 H new ATOM 807 N LYS A 52 4.987 32.958 0.375 1.00 0.00 N ATOM 808 CA LYS A 52 3.653 32.980 -0.212 1.00 0.00 C ATOM 809 C LYS A 52 2.613 33.386 0.831 1.00 0.00 C ATOM 810 O LYS A 52 1.831 34.309 0.609 1.00 0.00 O ATOM 811 CB LYS A 52 3.308 31.598 -0.784 1.00 0.00 C ATOM 812 CG LYS A 52 4.271 31.256 -1.930 1.00 0.00 C ATOM 813 CD LYS A 52 3.821 29.953 -2.611 1.00 0.00 C ATOM 814 CE LYS A 52 4.839 29.547 -3.684 1.00 0.00 C ATOM 815 NZ LYS A 52 4.223 28.550 -4.611 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.432 32.041 0.395 1.00 0.00 H new ATOM 0 HA LYS A 52 3.642 33.714 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.376 30.843 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.280 31.590 -1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.292 32.069 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.285 31.146 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.725 29.160 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.838 30.089 -3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.163 30.425 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.726 29.122 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.916 28.277 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.935 27.708 -4.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.389 28.970 -5.069 1.00 0.00 H new ATOM 829 N TRP A 53 2.614 32.686 1.965 1.00 0.00 N ATOM 830 CA TRP A 53 1.670 32.963 3.049 1.00 0.00 C ATOM 831 C TRP A 53 1.834 34.397 3.559 1.00 0.00 C ATOM 832 O TRP A 53 0.874 35.175 3.591 1.00 0.00 O ATOM 833 CB TRP A 53 1.936 31.967 4.184 1.00 0.00 C ATOM 834 CG TRP A 53 0.788 31.904 5.147 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.250 31.039 5.059 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.562 32.691 6.353 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.092 31.239 6.137 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.636 32.248 6.960 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.275 33.734 6.973 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.108 32.814 8.142 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.802 34.307 8.164 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.388 33.848 8.748 1.00 0.00 C ATOM 0 H TRP A 53 3.260 31.920 2.158 1.00 0.00 H new ATOM 0 HA TRP A 53 0.649 32.855 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.114 30.977 3.765 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.842 32.256 4.716 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.396 30.311 4.274 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.946 30.706 6.303 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.191 34.096 6.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.024 32.456 8.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.357 35.106 8.633 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.747 34.293 9.664 1.00 0.00 H new ATOM 853 N LEU A 54 3.050 34.734 3.977 1.00 0.00 N ATOM 854 CA LEU A 54 3.318 36.069 4.505 1.00 0.00 C ATOM 855 C LEU A 54 2.946 37.146 3.486 1.00 0.00 C ATOM 856 O LEU A 54 2.233 38.095 3.815 1.00 0.00 O ATOM 857 CB LEU A 54 4.796 36.206 4.872 1.00 0.00 C ATOM 858 CG LEU A 54 5.011 37.510 5.648 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.612 37.312 7.112 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.482 37.917 5.585 1.00 0.00 C ATOM 0 H LEU A 54 3.857 34.111 3.962 1.00 0.00 H new ATOM 0 HA LEU A 54 2.707 36.205 5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.112 35.355 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.408 36.202 3.970 1.00 0.00 H new ATOM 0 HG LEU A 54 4.396 38.291 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.766 38.241 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.561 37.028 7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.224 36.525 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.627 38.845 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.096 37.132 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.774 38.066 4.545 1.00 0.00 H new ATOM 872 N ASP A 55 3.430 37.001 2.254 1.00 0.00 N ATOM 873 CA ASP A 55 3.134 37.977 1.208 1.00 0.00 C ATOM 874 C ASP A 55 1.626 38.126 1.002 1.00 0.00 C ATOM 875 O ASP A 55 1.128 39.236 0.801 1.00 0.00 O ATOM 876 CB ASP A 55 3.793 37.554 -0.107 1.00 0.00 C ATOM 877 CG ASP A 55 5.310 37.622 0.029 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.773 38.237 0.975 1.00 0.00 O ATOM 879 OD2 ASP A 55 5.988 37.056 -0.814 1.00 0.00 O1- ATOM 0 H ASP A 55 4.023 36.226 1.958 1.00 0.00 H new ATOM 0 HA ASP A 55 3.535 38.940 1.524 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.487 36.541 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.462 38.205 -0.916 1.00 0.00 H new ATOM 884 N ARG A 56 0.907 37.006 1.045 1.00 0.00 N ATOM 885 CA ARG A 56 -0.545 37.021 0.853 1.00 0.00 C ATOM 886 C ARG A 56 -1.247 37.806 1.963 1.00 0.00 C ATOM 887 O ARG A 56 -2.291 38.419 1.734 1.00 0.00 O ATOM 888 CB ARG A 56 -1.082 35.580 0.807 1.00 0.00 C ATOM 889 CG ARG A 56 -2.576 35.587 0.463 1.00 0.00 C ATOM 890 CD ARG A 56 -3.091 34.146 0.355 1.00 0.00 C ATOM 891 NE ARG A 56 -3.066 33.498 1.664 1.00 0.00 N ATOM 892 CZ ARG A 56 -2.964 32.173 1.780 1.00 0.00 C ATOM 893 NH1 ARG A 56 -2.888 31.427 0.713 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.934 31.620 2.961 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.302 36.080 1.210 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.755 37.518 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.532 35.002 0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.924 35.094 1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.133 36.125 1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.740 36.113 -0.478 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.107 34.145 -0.039 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.475 33.585 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.128 34.070 2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.906 31.857 -0.212 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.810 30.414 0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.989 32.201 3.798 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.856 30.607 3.048 1.00 0.00 H new ATOM 908 N HIS A 57 -0.678 37.780 3.165 1.00 0.00 N ATOM 909 CA HIS A 57 -1.274 38.491 4.301 1.00 0.00 C ATOM 910 C HIS A 57 -0.395 39.656 4.745 1.00 0.00 C ATOM 911 O HIS A 57 -0.500 40.119 5.880 1.00 0.00 O ATOM 912 CB HIS A 57 -1.462 37.531 5.473 1.00 0.00 C ATOM 913 CG HIS A 57 -2.323 36.381 5.040 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.533 36.566 4.396 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.158 35.024 5.147 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.048 35.352 4.141 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.248 34.375 4.577 1.00 0.00 N ATOM 0 H HIS A 57 0.185 37.281 3.380 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.239 38.884 3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.494 37.166 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.924 38.050 6.313 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.958 37.462 4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.311 34.534 5.604 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.993 35.186 3.645 1.00 0.00 H new ATOM 926 N ARG A 58 0.474 40.118 3.859 1.00 0.00 N ATOM 927 CA ARG A 58 1.378 41.221 4.179 1.00 0.00 C ATOM 928 C ARG A 58 0.630 42.452 4.700 1.00 0.00 C ATOM 929 O ARG A 58 1.137 43.172 5.557 1.00 0.00 O ATOM 930 CB ARG A 58 2.193 41.587 2.938 1.00 0.00 C ATOM 931 CG ARG A 58 1.246 41.992 1.813 1.00 0.00 C ATOM 932 CD ARG A 58 2.012 42.023 0.490 1.00 0.00 C ATOM 933 NE ARG A 58 3.132 42.956 0.569 1.00 0.00 N ATOM 934 CZ ARG A 58 3.671 43.468 -0.532 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.188 43.147 -1.703 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.680 44.294 -0.440 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.575 39.750 2.913 1.00 0.00 H new ATOM 0 HA ARG A 58 2.041 40.888 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.876 42.405 3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.804 40.739 2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.417 41.287 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.816 42.972 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.379 41.025 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.342 42.317 -0.318 1.00 0.00 H new ATOM 0 HE ARG A 58 3.506 43.218 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.399 42.505 -1.770 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.600 43.539 -2.550 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.052 44.544 0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.095 44.688 -1.284 1.00 0.00 H new ATOM 950 N ASP A 59 -0.567 42.687 4.182 1.00 0.00 N ATOM 951 CA ASP A 59 -1.359 43.841 4.613 1.00 0.00 C ATOM 952 C ASP A 59 -1.661 43.772 6.107 1.00 0.00 C ATOM 953 O ASP A 59 -1.836 44.801 6.775 1.00 0.00 O ATOM 954 CB ASP A 59 -2.669 43.914 3.822 1.00 0.00 C ATOM 955 CG ASP A 59 -3.552 42.711 4.138 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.426 42.171 5.223 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.354 42.358 3.290 1.00 0.00 O ATOM 0 H ASP A 59 -1.011 42.105 3.472 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.773 44.740 4.420 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.198 44.835 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.454 43.944 2.754 1.00 0.00 H new ATOM 962 N MET A 60 -1.732 42.560 6.638 1.00 0.00 N ATOM 963 CA MET A 60 -2.027 42.388 8.049 1.00 0.00 C ATOM 964 C MET A 60 -1.039 43.174 8.899 1.00 0.00 C ATOM 965 O MET A 60 -1.409 43.726 9.932 1.00 0.00 O ATOM 966 CB MET A 60 -1.959 40.903 8.415 1.00 0.00 C ATOM 967 CG MET A 60 -0.499 40.493 8.619 1.00 0.00 C ATOM 968 SD MET A 60 -0.314 38.716 8.324 1.00 0.00 S ATOM 969 CE MET A 60 1.428 38.739 7.824 1.00 0.00 C ATOM 0 H MET A 60 -1.591 41.693 6.120 1.00 0.00 H new ATOM 0 HA MET A 60 -3.032 42.763 8.244 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.531 40.715 9.324 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.409 40.302 7.625 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.144 41.053 7.939 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.181 40.738 9.633 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.513 38.417 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.822 39.751 7.923 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.998 38.064 8.462 1.00 0.00 H new ATOM 979 N CYS A 61 0.211 43.234 8.454 1.00 0.00 N ATOM 980 CA CYS A 61 1.233 43.958 9.196 1.00 0.00 C ATOM 981 C CYS A 61 0.880 45.433 9.300 1.00 0.00 C ATOM 982 O CYS A 61 1.164 46.083 10.305 1.00 0.00 O ATOM 983 CB CYS A 61 2.589 43.807 8.502 1.00 0.00 C ATOM 984 SG CYS A 61 2.577 44.723 6.941 1.00 0.00 S ATOM 0 H CYS A 61 0.537 42.795 7.593 1.00 0.00 H new ATOM 0 HA CYS A 61 1.287 43.538 10.200 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.383 44.180 9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.798 42.754 8.316 1.00 0.00 H new ATOM 0 HG CYS A 61 1.800 44.120 6.090 1.00 0.00 H new ATOM 990 N GLU A 62 0.257 45.956 8.259 1.00 0.00 N ATOM 991 CA GLU A 62 -0.132 47.357 8.250 1.00 0.00 C ATOM 992 C GLU A 62 -1.359 47.578 9.122 1.00 0.00 C ATOM 993 O GLU A 62 -1.661 48.708 9.515 1.00 0.00 O ATOM 994 CB GLU A 62 -0.427 47.807 6.823 1.00 0.00 C ATOM 995 CG GLU A 62 0.844 47.687 5.982 1.00 0.00 C ATOM 996 CD GLU A 62 1.943 48.578 6.553 1.00 0.00 C ATOM 997 OE1 GLU A 62 1.618 49.473 7.317 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 3.094 48.356 6.214 1.00 0.00 O ATOM 0 H GLU A 62 0.011 45.438 7.415 1.00 0.00 H new ATOM 0 HA GLU A 62 0.693 47.946 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.220 47.195 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.782 48.837 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.180 46.650 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.634 47.972 4.951 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.076 46.498 9.416 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.282 46.599 10.237 1.00 0.00 C ATOM 1007 C LYS A 63 -2.952 46.766 11.719 1.00 0.00 C ATOM 1008 O LYS A 63 -3.393 47.727 12.347 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.137 45.348 10.055 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.649 45.290 8.620 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.604 44.109 8.471 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.958 43.939 6.995 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.316 45.266 6.422 1.00 0.00 N1+ ATOM 0 H LYS A 63 -1.849 45.554 9.104 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.827 47.484 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.551 44.457 10.280 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.975 45.362 10.752 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.159 46.219 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.813 45.186 7.928 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.141 43.200 8.854 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.507 44.279 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.115 43.511 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.792 43.245 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.898 45.131 5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.852 45.814 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.448 45.781 6.170 1.00 0.00 H new ATOM 1027 N TRP A 64 -2.167 45.847 12.280 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.810 45.965 13.691 1.00 0.00 C ATOM 1029 C TRP A 64 -0.625 46.900 13.854 1.00 0.00 C ATOM 1030 O TRP A 64 -0.602 47.730 14.760 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.484 44.606 14.320 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.717 43.502 13.345 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -1.023 43.319 12.204 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.684 42.411 13.414 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.495 42.184 11.569 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.519 41.592 12.274 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.675 42.056 14.347 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.308 40.462 12.065 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.472 40.919 14.138 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.286 40.124 13.001 1.00 0.00 C ATOM 0 H TRP A 64 -1.777 45.038 11.797 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.677 46.372 14.211 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.445 44.593 14.650 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.102 44.452 15.205 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.228 43.955 11.844 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -1.129 41.829 10.686 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.824 42.661 15.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.163 39.853 11.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.233 40.656 14.858 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.900 39.249 12.848 1.00 0.00 H new ATOM 1051 N LYS A 65 0.356 46.771 12.969 1.00 0.00 N ATOM 1052 CA LYS A 65 1.527 47.627 13.038 1.00 0.00 C ATOM 1053 C LYS A 65 2.302 47.348 14.327 1.00 0.00 C ATOM 1054 O LYS A 65 2.779 48.268 14.989 1.00 0.00 O ATOM 1055 CB LYS A 65 1.070 49.090 12.988 1.00 0.00 C ATOM 1056 CG LYS A 65 2.259 50.013 12.707 1.00 0.00 C ATOM 1057 CD LYS A 65 1.780 51.468 12.748 1.00 0.00 C ATOM 1058 CE LYS A 65 2.852 52.392 12.172 1.00 0.00 C ATOM 1059 NZ LYS A 65 3.455 53.196 13.274 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.363 46.092 12.208 1.00 0.00 H new ATOM 0 HA LYS A 65 2.188 47.426 12.195 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.314 49.215 12.213 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.605 49.364 13.935 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.043 49.853 13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.690 49.786 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.856 51.571 12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.555 51.756 13.775 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.622 51.806 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.415 53.052 11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.185 53.826 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.716 53.765 13.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.885 52.558 13.974 1.00 0.00 H new ATOM 1073 N SER A 66 2.415 46.061 14.670 1.00 0.00 N ATOM 1074 CA SER A 66 3.126 45.643 15.880 1.00 0.00 C ATOM 1075 C SER A 66 3.724 44.245 15.678 1.00 0.00 C ATOM 1076 O SER A 66 3.014 43.301 15.348 1.00 0.00 O ATOM 1077 CB SER A 66 2.158 45.624 17.063 1.00 0.00 C ATOM 1078 OG SER A 66 0.961 44.962 16.676 1.00 0.00 O ATOM 0 H SER A 66 2.023 45.292 14.127 1.00 0.00 H new ATOM 0 HA SER A 66 3.932 46.349 16.083 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.612 45.113 17.912 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.937 46.642 17.384 1.00 0.00 H new ATOM 0 HG SER A 66 0.281 45.083 17.371 1.00 0.00 H new ATOM 1084 N LYS A 67 5.036 44.128 15.844 1.00 0.00 N ATOM 1085 CA LYS A 67 5.728 42.852 15.634 1.00 0.00 C ATOM 1086 C LYS A 67 5.228 41.705 16.525 1.00 0.00 C ATOM 1087 O LYS A 67 4.802 40.668 16.018 1.00 0.00 O ATOM 1088 CB LYS A 67 7.224 43.051 15.874 1.00 0.00 C ATOM 1089 CG LYS A 67 7.972 41.749 15.601 1.00 0.00 C ATOM 1090 CD LYS A 67 9.476 41.994 15.751 1.00 0.00 C ATOM 1091 CE LYS A 67 10.254 40.893 15.031 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.238 41.155 13.563 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.645 44.897 16.123 1.00 0.00 H new ATOM 0 HA LYS A 67 5.516 42.556 14.607 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.603 43.841 15.226 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.397 43.371 16.901 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.646 40.975 16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.748 41.390 14.596 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.738 42.968 15.337 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.747 42.013 16.807 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.281 40.861 15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.810 39.920 15.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.930 40.298 13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.580 41.933 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.193 41.417 13.247 1.00 0.00 H new ATOM 1106 N GLU A 68 5.326 41.862 17.841 1.00 0.00 N ATOM 1107 CA GLU A 68 4.931 40.789 18.762 1.00 0.00 C ATOM 1108 C GLU A 68 3.450 40.422 18.655 1.00 0.00 C ATOM 1109 O GLU A 68 3.089 39.240 18.748 1.00 0.00 O ATOM 1110 CB GLU A 68 5.253 41.201 20.200 1.00 0.00 C ATOM 1111 CG GLU A 68 6.773 41.272 20.377 1.00 0.00 C ATOM 1112 CD GLU A 68 7.116 41.728 21.791 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.207 42.129 22.500 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.282 41.670 22.144 1.00 0.00 O1- ATOM 0 H GLU A 68 5.670 42.708 18.295 1.00 0.00 H new ATOM 0 HA GLU A 68 5.500 39.904 18.479 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.804 42.169 20.423 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.827 40.483 20.901 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.215 40.294 20.185 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.200 41.963 19.650 1.00 0.00 H new ATOM 1121 N ASP A 69 2.590 41.408 18.462 1.00 0.00 N ATOM 1122 CA ASP A 69 1.162 41.116 18.359 1.00 0.00 C ATOM 1123 C ASP A 69 0.889 40.256 17.135 1.00 0.00 C ATOM 1124 O ASP A 69 0.118 39.298 17.189 1.00 0.00 O ATOM 1125 CB ASP A 69 0.351 42.407 18.270 1.00 0.00 C ATOM 1126 CG ASP A 69 -1.135 42.081 18.373 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.450 40.930 18.628 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.934 42.982 18.190 1.00 0.00 O ATOM 0 H ASP A 69 2.841 42.393 18.375 1.00 0.00 H new ATOM 0 HA ASP A 69 0.860 40.574 19.255 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.641 43.088 19.070 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.558 42.915 17.328 1.00 0.00 H new ATOM 1133 N ILE A 70 1.530 40.607 16.031 1.00 0.00 N ATOM 1134 CA ILE A 70 1.356 39.861 14.797 1.00 0.00 C ATOM 1135 C ILE A 70 1.789 38.413 14.971 1.00 0.00 C ATOM 1136 O ILE A 70 1.123 37.502 14.486 1.00 0.00 O ATOM 1137 CB ILE A 70 2.146 40.519 13.671 1.00 0.00 C ATOM 1138 CG1 ILE A 70 1.556 41.899 13.408 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.035 39.678 12.398 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.506 42.712 12.529 1.00 0.00 C ATOM 0 H ILE A 70 2.171 41.398 15.965 1.00 0.00 H new ATOM 0 HA ILE A 70 0.297 39.869 14.538 1.00 0.00 H new ATOM 0 HB ILE A 70 3.195 40.600 13.957 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.587 41.802 12.919 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.386 42.417 14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.602 40.153 11.597 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.436 38.682 12.584 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.988 39.599 12.104 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.078 43.697 12.345 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.465 42.822 13.035 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.653 42.197 11.579 1.00 0.00 H new ATOM 1152 N LEU A 71 2.904 38.194 15.664 1.00 0.00 N ATOM 1153 CA LEU A 71 3.382 36.835 15.878 1.00 0.00 C ATOM 1154 C LEU A 71 2.321 36.008 16.587 1.00 0.00 C ATOM 1155 O LEU A 71 2.102 34.840 16.250 1.00 0.00 O ATOM 1156 CB LEU A 71 4.664 36.846 16.710 1.00 0.00 C ATOM 1157 CG LEU A 71 5.776 37.574 15.949 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.095 37.432 16.709 1.00 0.00 C ATOM 1159 CD2 LEU A 71 5.929 36.973 14.549 1.00 0.00 C ATOM 0 H LEU A 71 3.482 38.925 16.079 1.00 0.00 H new ATOM 0 HA LEU A 71 3.593 36.389 14.906 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.483 37.339 17.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.972 35.824 16.932 1.00 0.00 H new ATOM 0 HG LEU A 71 5.516 38.629 15.862 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.885 37.951 16.166 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.991 37.868 17.703 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.350 36.376 16.801 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.722 37.496 14.013 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.183 35.916 14.632 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.991 37.079 14.003 1.00 0.00 H new ATOM 1171 N HIS A 72 1.654 36.616 17.562 1.00 0.00 N ATOM 1172 CA HIS A 72 0.602 35.915 18.293 1.00 0.00 C ATOM 1173 C HIS A 72 -0.463 35.430 17.323 1.00 0.00 C ATOM 1174 O HIS A 72 -0.924 34.282 17.397 1.00 0.00 O ATOM 1175 CB HIS A 72 -0.052 36.852 19.309 1.00 0.00 C ATOM 1176 CG HIS A 72 0.841 37.013 20.501 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.765 38.039 20.604 1.00 0.00 N ATOM 1178 CD2 HIS A 72 0.949 36.290 21.662 1.00 0.00 C ATOM 1179 CE1 HIS A 72 2.385 37.908 21.792 1.00 0.00 C ATOM 1180 NE2 HIS A 72 1.925 36.855 22.477 1.00 0.00 N ATOM 0 H HIS A 72 1.818 37.577 17.862 1.00 0.00 H new ATOM 0 HA HIS A 72 1.049 35.067 18.813 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.242 37.823 18.852 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.017 36.451 19.618 1.00 0.00 H new ATOM 0 HD1 HIS A 72 1.943 38.762 19.907 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.365 35.415 21.906 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.159 38.572 22.148 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.839 36.311 16.405 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.843 35.977 15.404 1.00 0.00 C ATOM 1191 C LYS A 73 -1.349 34.826 14.535 1.00 0.00 C ATOM 1192 O LYS A 73 -2.072 33.858 14.298 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.141 37.208 14.548 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.553 38.378 15.454 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.693 37.941 16.384 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.310 39.169 17.061 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.762 39.247 16.731 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.466 37.258 16.333 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.761 35.663 15.901 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.261 37.479 13.964 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.938 36.986 13.839 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.699 38.712 16.043 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.872 39.225 14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.454 37.407 15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.315 37.250 17.138 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.175 39.107 18.141 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.802 40.074 16.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.102 40.217 16.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.906 38.987 15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.292 38.591 17.340 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.112 34.932 14.072 1.00 0.00 N ATOM 1212 CA LEU A 74 0.464 33.879 13.242 1.00 0.00 C ATOM 1213 C LEU A 74 0.452 32.545 13.974 1.00 0.00 C ATOM 1214 O LEU A 74 0.162 31.516 13.380 1.00 0.00 O ATOM 1215 CB LEU A 74 1.902 34.217 12.841 1.00 0.00 C ATOM 1216 CG LEU A 74 1.912 35.154 11.628 1.00 0.00 C ATOM 1217 CD1 LEU A 74 1.611 36.587 12.063 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.293 35.098 10.973 1.00 0.00 C ATOM 0 H LEU A 74 0.506 35.723 14.252 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.148 33.804 12.343 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.418 34.689 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.446 33.302 12.606 1.00 0.00 H new ATOM 0 HG LEU A 74 1.147 34.837 10.919 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.621 37.242 11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.629 36.626 12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.368 36.918 12.774 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.313 35.761 10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.049 35.416 11.691 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.503 34.077 10.653 1.00 0.00 H new ATOM 1230 N ASN A 75 0.767 32.558 15.264 1.00 0.00 N ATOM 1231 CA ASN A 75 0.784 31.317 16.033 1.00 0.00 C ATOM 1232 C ASN A 75 -0.562 30.606 15.947 1.00 0.00 C ATOM 1233 O ASN A 75 -0.626 29.407 15.664 1.00 0.00 O ATOM 1234 CB ASN A 75 1.105 31.609 17.498 1.00 0.00 C ATOM 1235 CG ASN A 75 2.529 32.138 17.633 1.00 0.00 C ATOM 1236 OD1 ASN A 75 2.929 32.572 18.712 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.324 32.132 16.598 1.00 0.00 N ATOM 0 H ASN A 75 1.010 33.396 15.792 1.00 0.00 H new ATOM 0 HA ASN A 75 1.553 30.671 15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.399 32.340 17.893 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.989 30.701 18.091 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.276 32.487 16.684 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.993 31.772 15.703 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.639 31.350 16.178 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.973 30.769 16.112 1.00 0.00 C ATOM 1246 C GLU A 76 -3.303 30.351 14.684 1.00 0.00 C ATOM 1247 O GLU A 76 -3.887 29.290 14.449 1.00 0.00 O ATOM 1248 CB GLU A 76 -4.008 31.787 16.594 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.383 31.120 16.652 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.462 32.165 16.905 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -6.121 33.332 16.993 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -7.617 31.782 17.000 1.00 0.00 O ATOM 0 H GLU A 76 -1.615 32.343 16.409 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.998 29.889 16.754 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.732 32.165 17.579 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.034 32.643 15.920 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.583 30.599 15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.399 30.371 17.443 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.912 31.187 13.731 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.165 30.891 12.334 1.00 0.00 C ATOM 1261 C GLN A 77 -2.285 29.732 11.871 1.00 0.00 C ATOM 1262 O GLN A 77 -2.729 28.882 11.109 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.915 32.133 11.479 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.949 33.208 11.830 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.664 34.485 11.048 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.506 34.853 10.864 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.659 35.186 10.576 1.00 0.00 N ATOM 0 H GLN A 77 -2.423 32.066 13.901 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.208 30.597 12.219 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.908 32.511 11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.982 31.879 10.421 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.952 32.848 11.600 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.922 33.414 12.900 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.619 34.877 10.731 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.477 36.042 10.053 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.041 29.695 12.343 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.130 28.617 11.969 1.00 0.00 C ATOM 1278 C TRP A 78 -0.745 27.267 12.341 1.00 0.00 C ATOM 1279 O TRP A 78 -0.700 26.320 11.559 1.00 0.00 O ATOM 1280 CB TRP A 78 1.223 28.785 12.681 1.00 0.00 C ATOM 1281 CG TRP A 78 2.322 28.196 11.844 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.525 26.874 11.651 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.375 28.885 11.099 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.629 26.704 10.833 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.189 27.914 10.466 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.696 30.242 10.914 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.283 28.280 9.676 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.795 30.612 10.121 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.587 29.634 9.503 1.00 0.00 C ATOM 0 H TRP A 78 -0.645 30.389 12.977 1.00 0.00 H new ATOM 0 HA TRP A 78 0.034 28.656 10.892 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.419 29.842 12.862 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.194 28.295 13.654 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.924 26.079 12.067 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.986 25.796 10.537 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.093 31.005 11.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.889 27.522 9.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.031 31.657 9.986 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.430 29.926 8.895 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.325 27.192 13.543 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.951 25.955 14.004 1.00 0.00 C ATOM 1302 C ASN A 79 -3.160 25.600 13.141 1.00 0.00 C ATOM 1303 O ASN A 79 -3.413 24.424 12.868 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.400 26.098 15.466 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.187 26.271 16.372 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.155 25.483 16.227 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -1.183 27.138 17.246 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.373 27.966 14.206 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.212 25.158 13.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.065 26.956 15.568 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.967 25.217 15.768 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.989 27.753 17.358 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.373 27.242 17.858 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.913 26.614 12.730 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.101 26.384 11.912 1.00 0.00 C ATOM 1316 C LYS A 80 -4.809 26.609 10.432 1.00 0.00 C ATOM 1317 O LYS A 80 -5.653 26.340 9.576 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.221 27.319 12.367 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.507 27.058 13.846 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.823 27.722 14.251 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.703 29.240 14.088 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.425 29.667 12.856 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.726 27.593 12.946 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.409 25.346 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.930 28.359 12.216 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.119 27.150 11.773 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.560 25.985 14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.692 27.446 14.456 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.638 27.343 13.635 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.064 27.475 15.285 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.120 29.744 14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.654 29.528 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.987 30.532 12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.370 28.912 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.422 29.855 13.085 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.617 27.105 10.139 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.225 27.373 8.764 1.00 0.00 C ATOM 1338 C ASP A 81 -1.745 27.058 8.565 1.00 0.00 C ATOM 1339 O ASP A 81 -1.142 27.671 7.700 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.488 28.846 8.439 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.615 29.045 6.931 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.074 28.234 6.195 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -4.251 30.006 6.531 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -1.237 26.212 9.282 1.00 0.00 O ATOM 0 H ASP A 81 -2.905 27.330 10.834 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.810 26.740 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.401 29.176 8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.675 29.461 8.826 1.00 0.00 H new