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+ 177:sc= -1.02 (180deg=-1) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -7.46! C(o=-8.5!,f=-8.8!) USER MOD Set 2.1: A 28 ASN : amide:sc= -3.46! C(o=-13!,f=-16!) USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -3.32! C(o=-19!,f=-13!) USER MOD Set 2.3: A 75 ASN : amide:sc= -4.15! C(o=-13!,f=-24!) USER MOD Set 2.4: A 79 ASN : amide:sc= -2.24 K(o=-13,f=-17!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 15 ASN :FLIP amide:sc= -4.68! C(o=-5.4!,f=-4.7!) USER MOD Single : A 16 GLN :FLIP amide:sc= -5.3! C(o=-7!,f=-5.3!) USER MOD Single : A 19 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.5!) USER MOD Single : A 23 SER OG : rot 81:sc= 1.16 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= -3.04! C(o=-6.2!,f=-3!) USER MOD Single : A 46 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= -0.927 (180deg=-1.08) USER MOD Single : A 57 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.0039) USER MOD Single : A 60 MET CE :methyl -140:sc= -0.0115 (180deg=-2.52!) USER MOD Single : A 61 CYS SG : rot -70:sc= -2.49! USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -1.1 (180deg=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -160:sc= -1.95 USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= -3.08! (180deg=-3.29!) USER MOD Single : A 72 HIS : no HD1:sc= -0.0954 K(o=-0.095,f=-0.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.084 51.021 1.805 1.00 0.00 N ATOM 93 CA LYS A 8 4.168 49.615 2.202 1.00 0.00 C ATOM 94 C LYS A 8 5.613 49.195 2.467 1.00 0.00 C ATOM 95 O LYS A 8 6.550 49.931 2.161 1.00 0.00 O ATOM 96 CB LYS A 8 3.596 48.721 1.107 1.00 0.00 C ATOM 97 CG LYS A 8 2.138 49.091 0.846 1.00 0.00 C ATOM 98 CD LYS A 8 1.461 47.948 0.092 1.00 0.00 C ATOM 99 CE LYS A 8 1.837 48.014 -1.386 1.00 0.00 C ATOM 100 NZ LYS A 8 2.034 46.631 -1.903 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.591 49.503 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.178 48.833 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.668 47.675 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.623 49.278 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.082 50.011 0.264 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.767 46.990 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.379 48.015 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.053 48.518 -1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.749 48.597 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.290 46.670 -2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.796 46.166 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.153 46.090 -1.791 1.00 0.00 H new ATOM 114 N PHE A 9 5.783 47.995 3.032 1.00 0.00 N ATOM 115 CA PHE A 9 7.121 47.483 3.333 1.00 0.00 C ATOM 116 C PHE A 9 7.854 47.081 2.055 1.00 0.00 C ATOM 117 O PHE A 9 7.265 46.509 1.138 1.00 0.00 O ATOM 118 CB PHE A 9 7.033 46.257 4.251 1.00 0.00 C ATOM 119 CG PHE A 9 6.608 46.677 5.634 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.452 47.490 6.398 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.381 46.247 6.158 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.071 47.877 7.687 1.00 0.00 C ATOM 123 CE2 PHE A 9 5.000 46.636 7.449 1.00 0.00 C ATOM 124 CZ PHE A 9 5.845 47.451 8.213 1.00 0.00 C ATOM 0 H PHE A 9 5.020 47.368 3.287 1.00 0.00 H new ATOM 0 HA PHE A 9 7.672 48.281 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.320 45.539 3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.000 45.756 4.295 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.398 47.819 5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.731 45.618 5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.723 48.505 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.055 46.307 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.551 47.751 9.208 1.00 0.00 H new ATOM 134 N THR A 10 9.149 47.395 2.012 1.00 0.00 N ATOM 135 CA THR A 10 9.983 47.081 0.848 1.00 0.00 C ATOM 136 C THR A 10 10.543 45.665 0.915 1.00 0.00 C ATOM 137 O THR A 10 10.533 45.029 1.965 1.00 0.00 O ATOM 138 CB THR A 10 11.160 48.049 0.773 1.00 0.00 C ATOM 139 OG1 THR A 10 12.011 47.832 1.889 1.00 0.00 O ATOM 140 CG2 THR A 10 10.657 49.492 0.780 1.00 0.00 C ATOM 0 H THR A 10 9.645 47.866 2.769 1.00 0.00 H new ATOM 0 HA THR A 10 9.347 47.171 -0.033 1.00 0.00 H new ATOM 0 HB THR A 10 11.712 47.876 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.771 48.450 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.506 50.174 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.006 49.655 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.100 49.679 1.698 1.00 0.00 H new ATOM 148 N ASP A 11 11.033 45.188 -0.227 1.00 0.00 N ATOM 149 CA ASP A 11 11.605 43.850 -0.323 1.00 0.00 C ATOM 150 C ASP A 11 12.717 43.651 0.710 1.00 0.00 C ATOM 151 O ASP A 11 12.823 42.587 1.316 1.00 0.00 O ATOM 152 CB ASP A 11 12.169 43.639 -1.730 1.00 0.00 C ATOM 153 CG ASP A 11 11.053 43.781 -2.759 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.900 43.750 -2.362 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.367 43.928 -3.929 1.00 0.00 O ATOM 0 H ASP A 11 11.045 45.712 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 11 10.818 43.123 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.955 44.367 -1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.623 42.651 -1.806 1.00 0.00 H new ATOM 160 N ASP A 12 13.542 44.676 0.920 1.00 0.00 N ATOM 161 CA ASP A 12 14.615 44.564 1.897 1.00 0.00 C ATOM 162 C ASP A 12 14.018 44.527 3.294 1.00 0.00 C ATOM 163 O ASP A 12 14.417 43.717 4.133 1.00 0.00 O ATOM 164 CB ASP A 12 15.588 45.737 1.755 1.00 0.00 C ATOM 165 CG ASP A 12 16.256 45.682 0.386 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.245 44.616 -0.210 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.761 46.702 -0.049 1.00 0.00 O1- ATOM 0 H ASP A 12 13.488 45.573 0.437 1.00 0.00 H new ATOM 0 HA ASP A 12 15.171 43.643 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 12 15.056 46.681 1.874 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.342 45.695 2.541 1.00 0.00 H new ATOM 172 N GLU A 13 13.030 45.387 3.522 1.00 0.00 N ATOM 173 CA GLU A 13 12.347 45.430 4.807 1.00 0.00 C ATOM 174 C GLU A 13 11.580 44.142 5.014 1.00 0.00 C ATOM 175 O GLU A 13 11.553 43.575 6.105 1.00 0.00 O ATOM 176 CB GLU A 13 11.377 46.607 4.841 1.00 0.00 C ATOM 177 CG GLU A 13 12.168 47.917 4.861 1.00 0.00 C ATOM 178 CD GLU A 13 11.219 49.111 4.954 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.024 48.909 4.799 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.704 50.208 5.182 1.00 0.00 O1- ATOM 0 H GLU A 13 12.687 46.060 2.836 1.00 0.00 H new ATOM 0 HA GLU A 13 13.085 45.550 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.722 46.578 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.739 46.541 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.854 47.922 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.775 47.996 3.959 1.00 0.00 H new ATOM 187 N TRP A 14 10.954 43.687 3.944 1.00 0.00 N ATOM 188 CA TRP A 14 10.181 42.473 3.987 1.00 0.00 C ATOM 189 C TRP A 14 11.084 41.280 4.270 1.00 0.00 C ATOM 190 O TRP A 14 10.791 40.470 5.149 1.00 0.00 O ATOM 191 CB TRP A 14 9.454 42.310 2.660 1.00 0.00 C ATOM 192 CG TRP A 14 8.168 41.595 2.880 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.791 40.493 2.207 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.089 41.905 3.813 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.548 40.096 2.658 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.074 40.936 3.648 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.884 42.920 4.776 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.905 40.964 4.405 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.702 42.947 5.538 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.718 41.971 5.354 1.00 0.00 C ATOM 0 H TRP A 14 10.970 44.147 3.034 1.00 0.00 H new ATOM 0 HA TRP A 14 9.448 42.526 4.792 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.267 43.287 2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.076 41.753 1.959 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.367 39.999 1.439 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.042 39.284 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.638 43.678 4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.146 40.210 4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.554 43.727 6.270 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.814 41.996 5.945 1.00 0.00 H new ATOM 211 N ASN A 15 12.183 41.164 3.529 1.00 0.00 N ATOM 212 CA ASN A 15 13.101 40.050 3.734 1.00 0.00 C ATOM 213 C ASN A 15 13.532 39.991 5.193 1.00 0.00 C ATOM 214 O ASN A 15 13.615 38.916 5.788 1.00 0.00 O ATOM 215 CB ASN A 15 14.341 40.239 2.865 1.00 0.00 C ATOM 216 CG ASN A 15 13.951 40.339 1.397 1.00 0.00 C ATOM 217 OD1 ASN A 15 14.569 41.199 0.634 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 13.063 39.622 0.935 1.00 0.00 N flip ATOM 0 H ASN A 15 12.456 41.816 2.794 1.00 0.00 H new ATOM 0 HA ASN A 15 12.593 39.124 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.872 41.141 3.169 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.025 39.403 3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.584 38.952 1.537 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.807 39.698 -0.049 1.00 0.00 H new ATOM 225 N GLN A 16 13.790 41.159 5.766 1.00 0.00 N ATOM 226 CA GLN A 16 14.193 41.234 7.163 1.00 0.00 C ATOM 227 C GLN A 16 13.032 40.788 8.040 1.00 0.00 C ATOM 228 O GLN A 16 13.205 40.024 8.990 1.00 0.00 O ATOM 229 CB GLN A 16 14.589 42.667 7.525 1.00 0.00 C ATOM 230 CG GLN A 16 15.840 43.065 6.736 1.00 0.00 C ATOM 231 CD GLN A 16 15.720 44.492 6.211 1.00 0.00 C ATOM 232 OE1 GLN A 16 14.869 45.317 6.752 1.00 0.00 O flip ATOM 233 NE2 GLN A 16 16.424 44.867 5.276 1.00 0.00 N flip ATOM 0 H GLN A 16 13.728 42.059 5.290 1.00 0.00 H new ATOM 0 HA GLN A 16 15.052 40.583 7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.770 43.350 7.299 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.781 42.743 8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.720 42.981 7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.984 42.377 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.091 44.224 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.341 45.821 4.926 1.00 0.00 H new ATOM 242 N LEU A 17 11.842 41.272 7.701 1.00 0.00 N ATOM 243 CA LEU A 17 10.643 40.924 8.446 1.00 0.00 C ATOM 244 C LEU A 17 10.473 39.412 8.439 1.00 0.00 C ATOM 245 O LEU A 17 10.100 38.812 9.448 1.00 0.00 O ATOM 246 CB LEU A 17 9.432 41.594 7.794 1.00 0.00 C ATOM 247 CG LEU A 17 8.156 41.250 8.563 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.285 41.720 10.011 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.975 41.962 7.903 1.00 0.00 C ATOM 0 H LEU A 17 11.685 41.905 6.917 1.00 0.00 H new ATOM 0 HA LEU A 17 10.729 41.270 9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.573 42.675 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.340 41.266 6.759 1.00 0.00 H new ATOM 0 HG LEU A 17 7.998 40.172 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.374 41.473 10.556 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.134 41.224 10.480 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.439 42.799 10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.059 41.724 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.140 43.039 7.926 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.883 41.631 6.869 1.00 0.00 H new ATOM 261 N LYS A 18 10.775 38.804 7.296 1.00 0.00 N ATOM 262 CA LYS A 18 10.677 37.360 7.162 1.00 0.00 C ATOM 263 C LYS A 18 11.568 36.658 8.181 1.00 0.00 C ATOM 264 O LYS A 18 11.144 35.709 8.831 1.00 0.00 O ATOM 265 CB LYS A 18 11.101 36.940 5.753 1.00 0.00 C ATOM 266 CG LYS A 18 10.028 37.360 4.745 1.00 0.00 C ATOM 267 CD LYS A 18 10.393 36.836 3.354 1.00 0.00 C ATOM 268 CE LYS A 18 9.546 37.554 2.302 1.00 0.00 C ATOM 269 NZ LYS A 18 8.739 36.560 1.539 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.088 39.288 6.455 1.00 0.00 H new ATOM 0 HA LYS A 18 9.641 37.072 7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.055 37.401 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.248 35.861 5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.057 36.968 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.941 38.446 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.453 37.001 3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.222 35.761 3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.888 38.277 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.190 38.112 1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.128 37.057 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.375 35.917 1.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.150 36.012 2.198 1.00 0.00 H new ATOM 283 N GLN A 19 12.808 37.120 8.318 1.00 0.00 N ATOM 284 CA GLN A 19 13.723 36.491 9.262 1.00 0.00 C ATOM 285 C GLN A 19 13.174 36.577 10.678 1.00 0.00 C ATOM 286 O GLN A 19 13.213 35.598 11.418 1.00 0.00 O ATOM 287 CB GLN A 19 15.111 37.145 9.201 1.00 0.00 C ATOM 288 CG GLN A 19 15.718 36.961 7.805 1.00 0.00 C ATOM 289 CD GLN A 19 15.589 35.508 7.352 1.00 0.00 C ATOM 290 OE1 GLN A 19 15.772 34.588 8.149 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.280 35.250 6.109 1.00 0.00 N ATOM 0 H GLN A 19 13.195 37.909 7.800 1.00 0.00 H new ATOM 0 HA GLN A 19 13.820 35.442 8.983 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.032 38.207 9.435 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.764 36.701 9.952 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.214 37.616 7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.768 37.252 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.129 36.015 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.190 34.283 5.796 1.00 0.00 H new ATOM 300 N ASP A 20 12.647 37.736 11.059 1.00 0.00 N ATOM 301 CA ASP A 20 12.097 37.879 12.396 1.00 0.00 C ATOM 302 C ASP A 20 10.947 36.895 12.609 1.00 0.00 C ATOM 303 O ASP A 20 10.884 36.232 13.640 1.00 0.00 O ATOM 304 CB ASP A 20 11.607 39.312 12.621 1.00 0.00 C ATOM 305 CG ASP A 20 12.792 40.264 12.721 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.900 39.786 12.908 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.575 41.460 12.610 1.00 0.00 O1- ATOM 0 H ASP A 20 12.591 38.570 10.475 1.00 0.00 H new ATOM 0 HA ASP A 20 12.885 37.659 13.116 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.956 39.615 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.013 39.362 13.534 1.00 0.00 H new ATOM 312 N PHE A 21 10.044 36.786 11.634 1.00 0.00 N ATOM 313 CA PHE A 21 8.926 35.856 11.773 1.00 0.00 C ATOM 314 C PHE A 21 9.453 34.427 11.843 1.00 0.00 C ATOM 315 O PHE A 21 9.066 33.650 12.711 1.00 0.00 O ATOM 316 CB PHE A 21 7.953 36.000 10.600 1.00 0.00 C ATOM 317 CG PHE A 21 7.114 37.251 10.774 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.544 38.292 11.614 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.899 37.366 10.092 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.759 39.439 11.763 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.114 38.516 10.243 1.00 0.00 C ATOM 322 CZ PHE A 21 5.545 39.551 11.079 1.00 0.00 C ATOM 0 H PHE A 21 10.063 37.315 10.762 1.00 0.00 H new ATOM 0 HA PHE A 21 8.390 36.089 12.693 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.506 36.050 9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.307 35.124 10.543 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.481 38.206 12.144 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.565 36.566 9.447 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.091 40.240 12.407 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.176 38.603 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.939 40.438 11.196 1.00 0.00 H new ATOM 332 N ILE A 22 10.364 34.101 10.932 1.00 0.00 N ATOM 333 CA ILE A 22 10.969 32.778 10.907 1.00 0.00 C ATOM 334 C ILE A 22 11.639 32.500 12.240 1.00 0.00 C ATOM 335 O ILE A 22 11.440 31.450 12.847 1.00 0.00 O ATOM 336 CB ILE A 22 12.010 32.721 9.793 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.316 32.916 8.445 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.710 31.362 9.817 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.339 33.379 7.410 1.00 0.00 C ATOM 0 H ILE A 22 10.697 34.734 10.205 1.00 0.00 H new ATOM 0 HA ILE A 22 10.198 32.028 10.727 1.00 0.00 H new ATOM 0 HB ILE A 22 12.748 33.509 9.941 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.854 31.983 8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.517 33.652 8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.454 31.322 9.021 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.201 31.223 10.780 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.975 30.571 9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.846 33.519 6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.781 34.322 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.122 32.627 7.311 1.00 0.00 H new ATOM 351 N SER A 23 12.445 33.451 12.689 1.00 0.00 N ATOM 352 CA SER A 23 13.143 33.294 13.952 1.00 0.00 C ATOM 353 C SER A 23 12.141 33.008 15.066 1.00 0.00 C ATOM 354 O SER A 23 12.362 32.135 15.904 1.00 0.00 O ATOM 355 CB SER A 23 13.928 34.563 14.276 1.00 0.00 C ATOM 356 OG SER A 23 14.787 34.876 13.189 1.00 0.00 O ATOM 0 H SER A 23 12.629 34.329 12.203 1.00 0.00 H new ATOM 0 HA SER A 23 13.837 32.457 13.871 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.243 35.390 14.463 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.511 34.421 15.186 1.00 0.00 H new ATOM 0 HG SER A 23 14.277 35.338 12.491 1.00 0.00 H new ATOM 362 N GLY A 24 11.028 33.735 15.057 1.00 0.00 N ATOM 363 CA GLY A 24 9.994 33.537 16.063 1.00 0.00 C ATOM 364 C GLY A 24 9.543 32.082 16.083 1.00 0.00 C ATOM 365 O GLY A 24 9.262 31.525 17.143 1.00 0.00 O ATOM 0 H GLY A 24 10.821 34.460 14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.374 33.820 17.045 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.143 34.185 15.852 1.00 0.00 H new ATOM 369 N ILE A 25 9.491 31.463 14.908 1.00 0.00 N ATOM 370 CA ILE A 25 9.091 30.067 14.810 1.00 0.00 C ATOM 371 C ILE A 25 10.231 29.164 15.258 1.00 0.00 C ATOM 372 O ILE A 25 10.001 28.085 15.804 1.00 0.00 O ATOM 373 CB ILE A 25 8.694 29.735 13.369 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.549 30.653 12.915 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.246 28.274 13.275 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.376 30.571 13.903 1.00 0.00 C ATOM 0 H ILE A 25 9.719 31.904 14.017 1.00 0.00 H new ATOM 0 HA ILE A 25 8.233 29.900 15.460 1.00 0.00 H new ATOM 0 HB ILE A 25 9.557 29.890 12.722 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.904 31.681 12.846 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.215 30.363 11.919 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.965 28.045 12.247 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.064 27.622 13.581 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.389 28.113 13.930 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.572 31.227 13.569 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.011 29.545 13.951 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.711 30.883 14.892 1.00 0.00 H new ATOM 388 N LEU A 26 11.462 29.612 15.034 1.00 0.00 N ATOM 389 CA LEU A 26 12.621 28.829 15.435 1.00 0.00 C ATOM 390 C LEU A 26 12.822 28.929 16.946 1.00 0.00 C ATOM 391 O LEU A 26 13.242 27.971 17.595 1.00 0.00 O ATOM 392 CB LEU A 26 13.873 29.304 14.676 1.00 0.00 C ATOM 393 CG LEU A 26 14.755 30.172 15.580 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.538 29.280 16.547 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.742 30.980 14.725 1.00 0.00 C ATOM 0 H LEU A 26 11.680 30.501 14.583 1.00 0.00 H new ATOM 0 HA LEU A 26 12.451 27.783 15.182 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.440 28.442 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.577 29.872 13.794 1.00 0.00 H new ATOM 0 HG LEU A 26 14.120 30.855 16.145 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.164 29.900 17.188 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.841 28.710 17.162 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.167 28.593 15.980 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.366 31.595 15.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.373 30.298 14.155 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.189 31.621 14.039 1.00 0.00 H new ATOM 407 N GLU A 27 12.480 30.086 17.504 1.00 0.00 N ATOM 408 CA GLU A 27 12.592 30.292 18.946 1.00 0.00 C ATOM 409 C GLU A 27 11.418 29.642 19.677 1.00 0.00 C ATOM 410 O GLU A 27 11.564 29.160 20.799 1.00 0.00 O ATOM 411 CB GLU A 27 12.615 31.786 19.278 1.00 0.00 C ATOM 412 CG GLU A 27 13.876 32.431 18.712 1.00 0.00 C ATOM 413 CD GLU A 27 13.945 33.886 19.154 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.148 34.264 19.998 1.00 0.00 O ATOM 415 OE2 GLU A 27 14.783 34.605 18.635 1.00 0.00 O1- ATOM 0 H GLU A 27 12.126 30.890 16.986 1.00 0.00 H new ATOM 0 HA GLU A 27 13.524 29.832 19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.732 32.272 18.864 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.579 31.927 20.358 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.759 31.893 19.057 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.871 32.370 17.624 1.00 0.00 H new ATOM 422 N ASN A 28 10.248 29.665 19.045 1.00 0.00 N ATOM 423 CA ASN A 28 9.045 29.108 19.655 1.00 0.00 C ATOM 424 C ASN A 28 9.003 27.590 19.552 1.00 0.00 C ATOM 425 O ASN A 28 9.728 26.983 18.765 1.00 0.00 O ATOM 426 CB ASN A 28 7.815 29.707 18.977 1.00 0.00 C ATOM 427 CG ASN A 28 7.820 31.215 19.198 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.650 31.720 19.952 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.945 31.965 18.591 1.00 0.00 N ATOM 0 H ASN A 28 10.108 30.061 18.116 1.00 0.00 H new ATOM 0 HA ASN A 28 9.055 29.363 20.715 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.824 29.482 17.911 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.906 29.268 19.388 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.947 32.974 18.740 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.258 31.543 17.966 1.00 0.00 H new ATOM 436 N GLU A 29 8.122 26.978 20.343 1.00 0.00 N ATOM 437 CA GLU A 29 7.963 25.532 20.311 1.00 0.00 C ATOM 438 C GLU A 29 7.388 25.145 18.966 1.00 0.00 C ATOM 439 O GLU A 29 7.575 24.029 18.479 1.00 0.00 O ATOM 440 CB GLU A 29 7.006 25.064 21.412 1.00 0.00 C ATOM 441 CG GLU A 29 6.848 23.541 21.338 1.00 0.00 C ATOM 442 CD GLU A 29 5.719 23.085 22.258 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.727 23.790 22.338 1.00 0.00 O1- ATOM 444 OE2 GLU A 29 5.861 22.036 22.864 1.00 0.00 O ATOM 0 H GLU A 29 7.515 27.459 21.006 1.00 0.00 H new ATOM 0 HA GLU A 29 8.934 25.063 20.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.390 25.353 22.390 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.036 25.547 21.295 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.636 23.239 20.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.781 23.056 21.627 1.00 0.00 H new ATOM 451 N GLN A 30 6.669 26.096 18.389 1.00 0.00 N ATOM 452 CA GLN A 30 6.021 25.905 17.107 1.00 0.00 C ATOM 453 C GLN A 30 6.997 25.360 16.073 1.00 0.00 C ATOM 454 O GLN A 30 6.587 24.898 15.009 1.00 0.00 O ATOM 455 CB GLN A 30 5.449 27.240 16.634 1.00 0.00 C ATOM 456 CG GLN A 30 4.541 27.803 17.725 1.00 0.00 C ATOM 457 CD GLN A 30 3.756 28.989 17.189 1.00 0.00 C ATOM 458 OE1 GLN A 30 2.461 28.901 17.079 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 4.339 30.019 16.861 1.00 0.00 N flip ATOM 0 H GLN A 30 6.520 27.019 18.798 1.00 0.00 H new ATOM 0 HA GLN A 30 5.219 25.177 17.224 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.256 27.940 16.417 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.888 27.103 15.710 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.855 27.030 18.073 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.138 28.110 18.584 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.353 30.081 16.950 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.809 30.812 16.500 1.00 0.00 H new ATOM 468 N LYS A 31 8.287 25.418 16.379 1.00 0.00 N ATOM 469 CA LYS A 31 9.286 24.920 15.446 1.00 0.00 C ATOM 470 C LYS A 31 8.981 23.472 15.075 1.00 0.00 C ATOM 471 O LYS A 31 9.119 23.066 13.921 1.00 0.00 O ATOM 472 CB LYS A 31 10.680 24.998 16.067 1.00 0.00 C ATOM 473 CG LYS A 31 11.719 24.686 14.989 1.00 0.00 C ATOM 474 CD LYS A 31 13.129 24.933 15.532 1.00 0.00 C ATOM 475 CE LYS A 31 13.468 23.900 16.610 1.00 0.00 C ATOM 476 NZ LYS A 31 13.753 24.600 17.897 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.660 25.798 17.249 1.00 0.00 H new ATOM 0 HA LYS A 31 9.257 25.539 14.550 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.853 25.991 16.482 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.766 24.289 16.891 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.621 23.649 14.667 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.544 25.310 14.112 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.855 24.874 14.721 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.196 25.938 15.947 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.638 23.206 16.737 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.333 23.310 16.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.983 23.899 18.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.558 25.246 17.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.916 25.144 18.189 1.00 0.00 H new ATOM 490 N ASP A 32 8.561 22.693 16.059 1.00 0.00 N ATOM 491 CA ASP A 32 8.234 21.294 15.815 1.00 0.00 C ATOM 492 C ASP A 32 7.025 21.179 14.891 1.00 0.00 C ATOM 493 O ASP A 32 6.926 20.248 14.087 1.00 0.00 O ATOM 494 CB ASP A 32 7.952 20.585 17.145 1.00 0.00 C ATOM 495 CG ASP A 32 9.227 20.526 17.982 1.00 0.00 C ATOM 496 OD1 ASP A 32 10.264 20.210 17.424 1.00 0.00 O ATOM 497 OD2 ASP A 32 9.148 20.806 19.168 1.00 0.00 O1- ATOM 0 H ASP A 32 8.439 22.999 17.024 1.00 0.00 H new ATOM 0 HA ASP A 32 9.085 20.816 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.172 21.115 17.692 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.582 19.577 16.959 1.00 0.00 H new ATOM 502 N LEU A 33 6.100 22.124 15.016 1.00 0.00 N ATOM 503 CA LEU A 33 4.894 22.111 14.197 1.00 0.00 C ATOM 504 C LEU A 33 5.217 22.336 12.723 1.00 0.00 C ATOM 505 O LEU A 33 4.685 21.654 11.845 1.00 0.00 O ATOM 506 CB LEU A 33 3.942 23.202 14.670 1.00 0.00 C ATOM 507 CG LEU A 33 2.555 22.938 14.090 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.959 21.699 14.761 1.00 0.00 C ATOM 509 CD2 LEU A 33 1.652 24.145 14.348 1.00 0.00 C ATOM 0 H LEU A 33 6.161 22.903 15.671 1.00 0.00 H new ATOM 0 HA LEU A 33 4.429 21.131 14.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.898 23.217 15.759 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.303 24.180 14.352 1.00 0.00 H new ATOM 0 HG LEU A 33 2.633 22.772 13.015 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.968 21.505 14.351 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.603 20.839 14.576 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.881 21.869 15.835 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.662 23.954 13.933 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.569 24.314 15.422 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.080 25.028 13.874 1.00 0.00 H new ATOM 521 N VAL A 34 6.093 23.294 12.450 1.00 0.00 N ATOM 522 CA VAL A 34 6.466 23.577 11.066 1.00 0.00 C ATOM 523 C VAL A 34 7.286 22.430 10.501 1.00 0.00 C ATOM 524 O VAL A 34 7.198 22.110 9.315 1.00 0.00 O ATOM 525 CB VAL A 34 7.259 24.881 10.961 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.496 24.819 11.854 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.692 25.074 9.510 1.00 0.00 C ATOM 0 H VAL A 34 6.551 23.878 13.150 1.00 0.00 H new ATOM 0 HA VAL A 34 5.549 23.687 10.487 1.00 0.00 H new ATOM 0 HB VAL A 34 6.634 25.714 11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.052 25.753 11.771 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.190 24.670 12.890 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.130 23.990 11.540 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.259 26.001 9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.316 24.235 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.810 25.124 8.871 1.00 0.00 H new ATOM 537 N ALA A 35 8.073 21.807 11.362 1.00 0.00 N ATOM 538 CA ALA A 35 8.893 20.686 10.945 1.00 0.00 C ATOM 539 C ALA A 35 7.999 19.608 10.354 1.00 0.00 C ATOM 540 O ALA A 35 8.317 19.010 9.325 1.00 0.00 O ATOM 541 CB ALA A 35 9.644 20.127 12.153 1.00 0.00 C ATOM 0 H ALA A 35 8.160 22.057 12.347 1.00 0.00 H new ATOM 0 HA ALA A 35 9.613 21.014 10.196 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.261 19.284 11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.280 20.904 12.578 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.928 19.794 12.904 1.00 0.00 H new ATOM 689 N ASN A 45 11.816 26.224 8.393 1.00 0.00 N ATOM 690 CA ASN A 45 10.628 27.002 8.759 1.00 0.00 C ATOM 691 C ASN A 45 9.709 27.275 7.568 1.00 0.00 C ATOM 692 O ASN A 45 8.937 28.231 7.604 1.00 0.00 O ATOM 693 CB ASN A 45 11.035 28.341 9.378 1.00 0.00 C ATOM 694 CG ASN A 45 12.210 28.152 10.332 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.317 28.815 10.127 1.00 0.00 O flip ATOM 696 ND2 ASN A 45 12.119 27.381 11.284 1.00 0.00 N flip ATOM 0 HA ASN A 45 10.079 26.397 9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.307 29.045 8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.190 28.773 9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.253 26.865 11.441 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.909 27.257 11.917 1.00 0.00 H new ATOM 703 N GLN A 46 9.792 26.453 6.523 1.00 0.00 N ATOM 704 CA GLN A 46 8.944 26.648 5.341 1.00 0.00 C ATOM 705 C GLN A 46 9.271 27.947 4.631 1.00 0.00 C ATOM 706 O GLN A 46 8.368 28.702 4.275 1.00 0.00 O ATOM 707 CB GLN A 46 7.464 26.705 5.727 1.00 0.00 C ATOM 708 CG GLN A 46 6.935 25.318 6.053 1.00 0.00 C ATOM 709 CD GLN A 46 5.513 25.446 6.585 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.213 24.969 7.679 1.00 0.00 O ATOM 711 NE2 GLN A 46 4.618 26.087 5.881 1.00 0.00 N ATOM 0 H GLN A 46 10.427 25.656 6.467 1.00 0.00 H new ATOM 0 HA GLN A 46 9.137 25.800 4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.334 27.360 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.887 27.136 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.949 24.690 5.162 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.573 24.835 6.794 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.869 26.482 4.975 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.668 26.193 6.238 1.00 0.00 H new ATOM 720 N LEU A 47 10.544 28.229 4.439 1.00 0.00 N ATOM 721 CA LEU A 47 10.921 29.466 3.784 1.00 0.00 C ATOM 722 C LEU A 47 10.036 29.744 2.564 1.00 0.00 C ATOM 723 O LEU A 47 9.420 30.806 2.470 1.00 0.00 O ATOM 724 CB LEU A 47 12.388 29.395 3.362 1.00 0.00 C ATOM 725 CG LEU A 47 13.280 29.526 4.597 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.660 28.942 4.299 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.429 31.004 4.959 1.00 0.00 C ATOM 0 H LEU A 47 11.322 27.632 4.721 1.00 0.00 H new ATOM 0 HA LEU A 47 10.782 30.284 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.587 28.451 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.612 30.191 2.652 1.00 0.00 H new ATOM 0 HG LEU A 47 12.827 28.985 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.293 29.037 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.560 27.889 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.112 29.483 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.064 31.101 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.881 31.539 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.447 31.427 5.172 1.00 0.00 H new ATOM 739 N ASP A 48 9.999 28.807 1.621 1.00 0.00 N ATOM 740 CA ASP A 48 9.207 28.994 0.401 1.00 0.00 C ATOM 741 C ASP A 48 7.715 29.188 0.689 1.00 0.00 C ATOM 742 O ASP A 48 7.122 30.188 0.272 1.00 0.00 O ATOM 743 CB ASP A 48 9.387 27.786 -0.521 1.00 0.00 C ATOM 744 CG ASP A 48 8.596 27.985 -1.812 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.231 29.116 -2.092 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.357 27.004 -2.497 1.00 0.00 O1- ATOM 0 H ASP A 48 10.500 27.920 1.672 1.00 0.00 H new ATOM 0 HA ASP A 48 9.571 29.903 -0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.444 27.649 -0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.051 26.881 -0.016 1.00 0.00 H new ATOM 751 N LEU A 49 7.101 28.237 1.388 1.00 0.00 N ATOM 752 CA LEU A 49 5.676 28.340 1.690 1.00 0.00 C ATOM 753 C LEU A 49 5.387 29.524 2.618 1.00 0.00 C ATOM 754 O LEU A 49 4.401 30.236 2.426 1.00 0.00 O ATOM 755 CB LEU A 49 5.177 27.021 2.288 1.00 0.00 C ATOM 756 CG LEU A 49 5.327 25.908 1.242 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.773 24.594 1.797 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.550 26.292 -0.018 1.00 0.00 C ATOM 0 H LEU A 49 7.558 27.400 1.751 1.00 0.00 H new ATOM 0 HA LEU A 49 5.134 28.526 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.747 26.775 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.134 27.116 2.590 1.00 0.00 H new ATOM 0 HG LEU A 49 6.382 25.780 1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.883 23.808 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.323 24.318 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.718 24.718 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.654 25.504 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.496 26.421 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.945 27.225 -0.419 1.00 0.00 H new ATOM 770 N LEU A 50 6.230 29.723 3.629 1.00 0.00 N ATOM 771 CA LEU A 50 6.014 30.826 4.565 1.00 0.00 C ATOM 772 C LEU A 50 6.009 32.154 3.815 1.00 0.00 C ATOM 773 O LEU A 50 5.156 33.005 4.055 1.00 0.00 O ATOM 774 CB LEU A 50 7.120 30.858 5.635 1.00 0.00 C ATOM 775 CG LEU A 50 6.643 31.652 6.866 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.755 31.709 7.915 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.279 33.084 6.473 1.00 0.00 C ATOM 0 H LEU A 50 7.052 29.150 3.820 1.00 0.00 H new ATOM 0 HA LEU A 50 5.051 30.673 5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.383 29.842 5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.021 31.315 5.225 1.00 0.00 H new ATOM 0 HG LEU A 50 5.766 31.148 7.273 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.409 32.272 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.018 30.697 8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.631 32.199 7.490 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.944 33.630 7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.154 33.579 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.479 33.066 5.733 1.00 0.00 H new ATOM 789 N HIS A 51 6.963 32.337 2.904 1.00 0.00 N ATOM 790 CA HIS A 51 7.038 33.577 2.147 1.00 0.00 C ATOM 791 C HIS A 51 5.741 33.826 1.382 1.00 0.00 C ATOM 792 O HIS A 51 5.215 34.936 1.403 1.00 0.00 O ATOM 793 CB HIS A 51 8.218 33.533 1.176 1.00 0.00 C ATOM 794 CG HIS A 51 9.508 33.563 1.952 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.666 34.135 1.445 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.837 33.098 3.202 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.626 34.004 2.379 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.175 33.378 3.469 1.00 0.00 N ATOM 0 H HIS A 51 7.683 31.651 2.677 1.00 0.00 H new ATOM 0 HA HIS A 51 7.186 34.397 2.850 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.168 32.630 0.567 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.172 34.381 0.493 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.771 34.575 0.531 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.161 32.592 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.638 34.362 2.261 1.00 0.00 H new ATOM 807 N LYS A 52 5.229 32.795 0.710 1.00 0.00 N ATOM 808 CA LYS A 52 3.988 32.948 -0.046 1.00 0.00 C ATOM 809 C LYS A 52 2.854 33.349 0.889 1.00 0.00 C ATOM 810 O LYS A 52 2.133 34.314 0.634 1.00 0.00 O ATOM 811 CB LYS A 52 3.618 31.632 -0.734 1.00 0.00 C ATOM 812 CG LYS A 52 4.632 31.298 -1.827 1.00 0.00 C ATOM 813 CD LYS A 52 4.199 29.997 -2.503 1.00 0.00 C ATOM 814 CE LYS A 52 5.189 29.622 -3.605 1.00 0.00 C ATOM 815 NZ LYS A 52 6.301 30.612 -3.635 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.644 31.864 0.673 1.00 0.00 H new ATOM 0 HA LYS A 52 4.139 33.722 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.587 30.827 0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.620 31.708 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.684 32.106 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.629 31.190 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.143 29.196 -1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.200 30.112 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.584 28.622 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.683 29.599 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.909 30.426 -4.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.909 31.573 -3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.863 30.530 -2.764 1.00 0.00 H new ATOM 829 N TRP A 53 2.721 32.605 1.981 1.00 0.00 N ATOM 830 CA TRP A 53 1.695 32.880 2.974 1.00 0.00 C ATOM 831 C TRP A 53 1.814 34.321 3.436 1.00 0.00 C ATOM 832 O TRP A 53 0.847 35.083 3.420 1.00 0.00 O ATOM 833 CB TRP A 53 1.922 31.941 4.160 1.00 0.00 C ATOM 834 CG TRP A 53 0.788 31.990 5.133 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.321 31.217 5.082 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.656 32.818 6.321 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.120 31.511 6.175 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.562 32.495 6.965 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.471 33.809 6.896 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.953 33.132 8.145 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.081 34.451 8.080 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.128 34.113 8.705 1.00 0.00 C ATOM 0 H TRP A 53 3.314 31.804 2.200 1.00 0.00 H new ATOM 0 HA TRP A 53 0.702 32.724 2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.045 30.921 3.797 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.848 32.213 4.667 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.546 30.490 4.315 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.011 31.056 6.372 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.404 34.078 6.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.886 32.869 8.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.715 35.210 8.513 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.422 34.610 9.618 1.00 0.00 H new ATOM 853 N LEU A 54 3.015 34.673 3.862 1.00 0.00 N ATOM 854 CA LEU A 54 3.270 36.016 4.350 1.00 0.00 C ATOM 855 C LEU A 54 2.935 37.061 3.283 1.00 0.00 C ATOM 856 O LEU A 54 2.219 38.023 3.558 1.00 0.00 O ATOM 857 CB LEU A 54 4.733 36.164 4.757 1.00 0.00 C ATOM 858 CG LEU A 54 4.898 37.467 5.525 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.473 37.256 6.981 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.359 37.905 5.479 1.00 0.00 C ATOM 0 H LEU A 54 3.824 34.052 3.880 1.00 0.00 H new ATOM 0 HA LEU A 54 2.631 36.181 5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.040 35.320 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.372 36.162 3.874 1.00 0.00 H new ATOM 0 HG LEU A 54 4.275 38.238 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.590 38.188 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.429 36.944 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.096 36.485 7.434 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.476 38.839 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.984 37.135 5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.662 38.054 4.443 1.00 0.00 H new ATOM 872 N ASP A 55 3.475 36.882 2.079 1.00 0.00 N ATOM 873 CA ASP A 55 3.237 37.833 0.994 1.00 0.00 C ATOM 874 C ASP A 55 1.748 38.028 0.737 1.00 0.00 C ATOM 875 O ASP A 55 1.272 39.159 0.637 1.00 0.00 O ATOM 876 CB ASP A 55 3.913 37.333 -0.285 1.00 0.00 C ATOM 877 CG ASP A 55 5.427 37.475 -0.166 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.869 38.190 0.718 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.123 36.870 -0.967 1.00 0.00 O ATOM 0 H ASP A 55 4.075 36.095 1.831 1.00 0.00 H new ATOM 0 HA ASP A 55 3.659 38.793 1.291 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.650 36.290 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.553 37.901 -1.142 1.00 0.00 H new ATOM 884 N ARG A 56 1.013 36.927 0.636 1.00 0.00 N ATOM 885 CA ARG A 56 -0.421 36.998 0.397 1.00 0.00 C ATOM 886 C ARG A 56 -1.132 37.647 1.583 1.00 0.00 C ATOM 887 O ARG A 56 -2.157 38.307 1.417 1.00 0.00 O ATOM 888 CB ARG A 56 -0.980 35.594 0.163 1.00 0.00 C ATOM 889 CG ARG A 56 -2.458 35.692 -0.212 1.00 0.00 C ATOM 890 CD ARG A 56 -3.066 34.290 -0.280 1.00 0.00 C ATOM 891 NE ARG A 56 -2.601 33.595 -1.471 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.102 33.873 -2.667 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.042 34.774 -2.789 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.662 33.240 -3.721 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.385 35.980 0.715 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.595 37.608 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.424 35.097 -0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.861 34.989 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.991 36.295 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.567 36.193 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.792 33.724 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.154 34.358 -0.292 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.877 32.882 -1.384 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.390 35.263 -1.964 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.427 34.988 -3.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.934 32.533 -3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.047 33.453 -4.641 1.00 0.00 H new ATOM 908 N HIS A 57 -0.578 37.452 2.778 1.00 0.00 N ATOM 909 CA HIS A 57 -1.170 38.013 3.986 1.00 0.00 C ATOM 910 C HIS A 57 -0.350 39.192 4.516 1.00 0.00 C ATOM 911 O HIS A 57 -0.598 39.661 5.618 1.00 0.00 O ATOM 912 CB HIS A 57 -1.263 36.937 5.075 1.00 0.00 C ATOM 913 CG HIS A 57 -2.235 35.869 4.653 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.601 36.095 4.581 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.052 34.561 4.283 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.182 34.950 4.184 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.284 33.981 3.988 1.00 0.00 N ATOM 0 H HIS A 57 0.274 36.913 2.933 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.167 38.371 3.729 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.281 36.499 5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.586 37.385 6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.098 34.057 4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.246 34.828 4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.462 33.023 3.687 1.00 0.00 H new ATOM 926 N ARG A 58 0.612 39.671 3.730 1.00 0.00 N ATOM 927 CA ARG A 58 1.445 40.803 4.148 1.00 0.00 C ATOM 928 C ARG A 58 0.587 41.958 4.652 1.00 0.00 C ATOM 929 O ARG A 58 0.962 42.670 5.582 1.00 0.00 O ATOM 930 CB ARG A 58 2.285 41.284 2.962 1.00 0.00 C ATOM 931 CG ARG A 58 1.357 41.771 1.848 1.00 0.00 C ATOM 932 CD ARG A 58 2.146 41.931 0.544 1.00 0.00 C ATOM 933 NE ARG A 58 3.252 42.872 0.710 1.00 0.00 N ATOM 934 CZ ARG A 58 3.921 43.339 -0.345 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.637 42.907 -1.540 1.00 0.00 N ATOM 936 NH2 ARG A 58 4.866 44.227 -0.182 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.835 39.298 2.807 1.00 0.00 H new ATOM 0 HA ARG A 58 2.092 40.470 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.949 42.089 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.916 40.474 2.597 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.542 41.061 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.905 42.722 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.533 40.962 0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.482 42.282 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 58 3.516 43.176 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.903 42.211 -1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.149 43.264 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.093 44.564 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.376 44.583 -0.990 1.00 0.00 H new ATOM 950 N ASP A 59 -0.563 42.123 4.018 1.00 0.00 N ATOM 951 CA ASP A 59 -1.500 43.184 4.374 1.00 0.00 C ATOM 952 C ASP A 59 -1.882 43.120 5.848 1.00 0.00 C ATOM 953 O ASP A 59 -2.116 44.148 6.488 1.00 0.00 O ATOM 954 CB ASP A 59 -2.762 43.040 3.526 1.00 0.00 C ATOM 955 CG ASP A 59 -2.537 43.613 2.132 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.808 44.584 2.021 1.00 0.00 O ATOM 957 OD2 ASP A 59 -3.100 43.071 1.195 1.00 0.00 O1- ATOM 0 H ASP A 59 -0.874 41.532 3.247 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.017 44.143 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.040 41.989 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.592 43.556 4.008 1.00 0.00 H new ATOM 962 N MET A 60 -1.961 41.908 6.376 1.00 0.00 N ATOM 963 CA MET A 60 -2.335 41.710 7.767 1.00 0.00 C ATOM 964 C MET A 60 -1.397 42.466 8.701 1.00 0.00 C ATOM 965 O MET A 60 -1.796 42.883 9.783 1.00 0.00 O ATOM 966 CB MET A 60 -2.296 40.222 8.093 1.00 0.00 C ATOM 967 CG MET A 60 -0.844 39.741 8.088 1.00 0.00 C ATOM 968 SD MET A 60 -0.238 39.586 9.784 1.00 0.00 S ATOM 969 CE MET A 60 1.525 39.523 9.370 1.00 0.00 C ATOM 0 H MET A 60 -1.771 41.048 5.862 1.00 0.00 H new ATOM 0 HA MET A 60 -3.344 42.097 7.913 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.748 40.040 9.068 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.879 39.662 7.362 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.772 38.780 7.578 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.222 40.443 7.533 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.021 38.788 10.003 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.643 39.240 8.324 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.972 40.503 9.533 1.00 0.00 H new ATOM 979 N CYS A 61 -0.152 42.634 8.273 1.00 0.00 N ATOM 980 CA CYS A 61 0.846 43.331 9.078 1.00 0.00 C ATOM 981 C CYS A 61 0.410 44.757 9.386 1.00 0.00 C ATOM 982 O CYS A 61 0.793 45.326 10.413 1.00 0.00 O ATOM 983 CB CYS A 61 2.166 43.383 8.312 1.00 0.00 C ATOM 984 SG CYS A 61 1.993 44.548 6.939 1.00 0.00 S ATOM 0 H CYS A 61 0.192 42.298 7.373 1.00 0.00 H new ATOM 0 HA CYS A 61 0.963 42.788 10.016 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.975 43.695 8.973 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.425 42.393 7.937 1.00 0.00 H new ATOM 0 HG CYS A 61 1.196 44.047 6.042 1.00 0.00 H new ATOM 990 N GLU A 62 -0.372 45.334 8.487 1.00 0.00 N ATOM 991 CA GLU A 62 -0.844 46.703 8.653 1.00 0.00 C ATOM 992 C GLU A 62 -1.980 46.771 9.677 1.00 0.00 C ATOM 993 O GLU A 62 -2.383 47.857 10.086 1.00 0.00 O ATOM 994 CB GLU A 62 -1.323 47.266 7.305 1.00 0.00 C ATOM 995 CG GLU A 62 -0.178 47.215 6.284 1.00 0.00 C ATOM 996 CD GLU A 62 -0.570 47.968 5.013 1.00 0.00 C ATOM 997 OE1 GLU A 62 -1.732 48.322 4.893 1.00 0.00 O ATOM 998 OE2 GLU A 62 0.299 48.181 4.182 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.694 44.877 7.634 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.013 47.305 9.020 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.173 46.689 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.665 48.293 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.722 47.656 6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.058 46.179 6.043 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.512 45.610 10.080 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.623 45.573 11.037 1.00 0.00 C ATOM 1007 C LYS A 63 -3.149 45.598 12.492 1.00 0.00 C ATOM 1008 O LYS A 63 -3.894 45.213 13.397 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.458 44.314 10.809 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.144 44.403 9.448 1.00 0.00 C ATOM 1011 CD LYS A 63 -6.056 43.196 9.258 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.605 43.200 7.834 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.498 42.917 6.880 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.195 44.694 9.762 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.219 46.469 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.822 43.430 10.852 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.203 44.210 11.598 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.723 45.324 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.398 44.437 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.504 42.275 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.875 43.228 9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.389 42.450 7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.057 44.166 7.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.854 42.986 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.734 43.609 7.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.132 41.958 7.048 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.937 46.079 12.725 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.416 46.177 14.087 1.00 0.00 C ATOM 1029 C TRP A 64 -0.144 47.013 14.111 1.00 0.00 C ATOM 1030 O TRP A 64 0.011 47.892 14.958 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.140 44.796 14.687 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.278 43.744 13.643 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.504 43.633 12.544 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.229 42.646 13.587 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.921 42.540 11.812 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.986 41.900 12.414 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.272 42.235 14.434 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.753 40.782 12.093 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.046 41.111 14.116 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.787 40.385 12.945 1.00 0.00 C ATOM 0 H TRP A 64 -1.299 46.405 11.999 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.180 46.663 14.694 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.136 44.769 15.110 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.835 44.601 15.504 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.310 44.292 12.280 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.495 42.242 10.935 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.479 42.790 15.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.549 40.225 11.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.844 40.803 14.775 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.386 39.520 12.702 1.00 0.00 H new ATOM 1051 N LYS A 65 0.767 46.734 13.182 1.00 0.00 N ATOM 1052 CA LYS A 65 2.025 47.473 13.124 1.00 0.00 C ATOM 1053 C LYS A 65 2.825 47.271 14.419 1.00 0.00 C ATOM 1054 O LYS A 65 3.330 48.229 15.004 1.00 0.00 O ATOM 1055 CB LYS A 65 1.744 48.967 12.893 1.00 0.00 C ATOM 1056 CG LYS A 65 2.169 49.361 11.470 1.00 0.00 C ATOM 1057 CD LYS A 65 2.177 50.890 11.332 1.00 0.00 C ATOM 1058 CE LYS A 65 3.179 51.303 10.247 1.00 0.00 C ATOM 1059 NZ LYS A 65 2.759 52.600 9.636 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.661 46.013 12.469 1.00 0.00 H new ATOM 0 HA LYS A 65 2.619 47.094 12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.683 49.174 13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.287 49.566 13.624 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.160 48.962 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.484 48.925 10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.180 51.247 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.445 51.350 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.176 51.399 10.678 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.237 50.531 9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.442 52.875 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.816 52.494 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.726 53.335 10.371 1.00 0.00 H new ATOM 1073 N SER A 66 2.929 46.012 14.856 1.00 0.00 N ATOM 1074 CA SER A 66 3.661 45.667 16.084 1.00 0.00 C ATOM 1075 C SER A 66 4.260 44.255 15.966 1.00 0.00 C ATOM 1076 O SER A 66 3.528 43.280 15.793 1.00 0.00 O ATOM 1077 CB SER A 66 2.705 45.720 17.281 1.00 0.00 C ATOM 1078 OG SER A 66 1.484 45.077 16.927 1.00 0.00 O ATOM 0 H SER A 66 2.515 45.212 14.378 1.00 0.00 H new ATOM 0 HA SER A 66 4.470 46.384 16.228 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.154 45.227 18.144 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.517 46.755 17.567 1.00 0.00 H new ATOM 0 HG SER A 66 0.772 45.370 17.534 1.00 0.00 H new ATOM 1084 N LYS A 67 5.594 44.155 16.032 1.00 0.00 N ATOM 1085 CA LYS A 67 6.279 42.858 15.892 1.00 0.00 C ATOM 1086 C LYS A 67 5.717 41.761 16.799 1.00 0.00 C ATOM 1087 O LYS A 67 5.251 40.734 16.311 1.00 0.00 O ATOM 1088 CB LYS A 67 7.779 43.016 16.186 1.00 0.00 C ATOM 1089 CG LYS A 67 8.453 41.635 16.169 1.00 0.00 C ATOM 1090 CD LYS A 67 9.960 41.789 16.412 1.00 0.00 C ATOM 1091 CE LYS A 67 10.663 40.449 16.174 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.905 40.673 15.382 1.00 0.00 N1+ ATOM 0 H LYS A 67 6.218 44.948 16.180 1.00 0.00 H new ATOM 0 HA LYS A 67 6.110 42.546 14.861 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.240 43.666 15.442 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.922 43.490 17.157 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.015 40.997 16.937 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.278 41.147 15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.369 42.548 15.746 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.140 42.129 17.432 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.907 39.980 17.127 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.999 39.767 15.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.301 39.757 15.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.681 41.238 14.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.601 41.181 15.964 1.00 0.00 H new ATOM 1106 N GLU A 68 5.802 41.952 18.110 1.00 0.00 N ATOM 1107 CA GLU A 68 5.339 40.924 19.045 1.00 0.00 C ATOM 1108 C GLU A 68 3.856 40.608 18.879 1.00 0.00 C ATOM 1109 O GLU A 68 3.455 39.444 18.957 1.00 0.00 O ATOM 1110 CB GLU A 68 5.599 41.364 20.487 1.00 0.00 C ATOM 1111 CG GLU A 68 5.225 40.224 21.435 1.00 0.00 C ATOM 1112 CD GLU A 68 5.359 40.688 22.883 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.905 41.759 23.092 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 4.921 39.963 23.761 1.00 0.00 O ATOM 0 H GLU A 68 6.180 42.792 18.548 1.00 0.00 H new ATOM 0 HA GLU A 68 5.902 40.018 18.819 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.648 41.630 20.615 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.014 42.254 20.720 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.203 39.899 21.241 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.872 39.365 21.258 1.00 0.00 H new ATOM 1121 N ASP A 69 3.040 41.630 18.665 1.00 0.00 N ATOM 1122 CA ASP A 69 1.604 41.405 18.512 1.00 0.00 C ATOM 1123 C ASP A 69 1.326 40.532 17.292 1.00 0.00 C ATOM 1124 O ASP A 69 0.535 39.589 17.353 1.00 0.00 O ATOM 1125 CB ASP A 69 0.871 42.738 18.349 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.554 42.623 18.887 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.881 41.580 19.429 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.294 43.582 18.750 1.00 0.00 O ATOM 0 H ASP A 69 3.335 42.604 18.594 1.00 0.00 H new ATOM 0 HA ASP A 69 1.245 40.899 19.408 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.407 43.524 18.881 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.849 43.024 17.297 1.00 0.00 H new ATOM 1133 N ILE A 70 1.991 40.855 16.189 1.00 0.00 N ATOM 1134 CA ILE A 70 1.822 40.106 14.946 1.00 0.00 C ATOM 1135 C ILE A 70 2.204 38.645 15.114 1.00 0.00 C ATOM 1136 O ILE A 70 1.528 37.754 14.605 1.00 0.00 O ATOM 1137 CB ILE A 70 2.693 40.709 13.850 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.195 42.116 13.518 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.613 39.820 12.608 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.330 42.934 12.900 1.00 0.00 C ATOM 0 H ILE A 70 2.652 41.629 16.128 1.00 0.00 H new ATOM 0 HA ILE A 70 0.768 40.166 14.674 1.00 0.00 H new ATOM 0 HB ILE A 70 3.727 40.771 14.188 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.355 42.061 12.825 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.831 42.606 14.421 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.233 40.243 11.817 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.970 38.820 12.853 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.579 39.763 12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.970 43.936 12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.157 43.002 13.607 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.673 42.448 11.987 1.00 0.00 H new ATOM 1152 N LEU A 71 3.305 38.406 15.810 1.00 0.00 N ATOM 1153 CA LEU A 71 3.781 37.047 16.021 1.00 0.00 C ATOM 1154 C LEU A 71 2.737 36.200 16.731 1.00 0.00 C ATOM 1155 O LEU A 71 2.506 35.049 16.361 1.00 0.00 O ATOM 1156 CB LEU A 71 5.063 37.085 16.844 1.00 0.00 C ATOM 1157 CG LEU A 71 6.183 37.718 16.016 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.458 37.780 16.855 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.442 36.867 14.772 1.00 0.00 C ATOM 0 H LEU A 71 3.883 39.130 16.236 1.00 0.00 H new ATOM 0 HA LEU A 71 3.976 36.594 15.049 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.904 37.657 17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.345 36.076 17.145 1.00 0.00 H new ATOM 0 HG LEU A 71 5.889 38.724 15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.258 38.231 16.268 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.278 38.382 17.746 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.748 36.772 17.151 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.240 37.318 14.182 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.737 35.862 15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.533 36.813 14.172 1.00 0.00 H new ATOM 1171 N HIS A 72 2.097 36.775 17.738 1.00 0.00 N ATOM 1172 CA HIS A 72 1.072 36.049 18.471 1.00 0.00 C ATOM 1173 C HIS A 72 -0.039 35.641 17.514 1.00 0.00 C ATOM 1174 O HIS A 72 -0.531 34.513 17.552 1.00 0.00 O ATOM 1175 CB HIS A 72 0.495 36.929 19.585 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.491 36.131 20.396 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -0.088 35.213 21.351 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -1.866 36.097 20.402 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.196 34.668 21.885 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.306 35.171 21.343 1.00 0.00 N ATOM 0 H HIS A 72 2.266 37.727 18.062 1.00 0.00 H new ATOM 0 HA HIS A 72 1.515 35.160 18.919 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.297 37.295 20.226 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.006 37.803 19.156 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.506 36.697 19.773 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.188 33.915 22.659 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.271 34.929 21.570 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.418 36.573 16.645 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.471 36.303 15.672 1.00 0.00 C ATOM 1191 C LYS A 73 -1.090 35.125 14.771 1.00 0.00 C ATOM 1192 O LYS A 73 -1.867 34.186 14.603 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.727 37.538 14.806 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.097 38.727 15.695 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.257 38.332 16.610 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.027 39.579 17.039 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.136 39.600 18.522 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.018 37.510 16.594 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.378 36.051 16.222 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.838 37.773 14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.531 37.337 14.099 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.237 39.032 16.291 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.378 39.582 15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.923 37.643 16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.878 37.808 17.487 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.516 40.475 16.687 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.020 39.581 16.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.660 40.448 18.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.641 38.750 18.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.184 39.617 18.940 1.00 0.00 H new ATOM 1211 N LEU A 74 0.107 35.186 14.182 1.00 0.00 N ATOM 1212 CA LEU A 74 0.562 34.118 13.290 1.00 0.00 C ATOM 1213 C LEU A 74 0.568 32.768 13.996 1.00 0.00 C ATOM 1214 O LEU A 74 0.191 31.762 13.404 1.00 0.00 O ATOM 1215 CB LEU A 74 1.962 34.428 12.743 1.00 0.00 C ATOM 1216 CG LEU A 74 1.860 35.361 11.527 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.797 36.436 11.760 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.212 36.033 11.279 1.00 0.00 C ATOM 0 H LEU A 74 0.770 35.952 14.304 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.141 34.065 12.458 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.569 34.895 13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.463 33.502 12.460 1.00 0.00 H new ATOM 0 HG LEU A 74 1.577 34.767 10.658 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.740 37.087 10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.171 35.962 11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.063 37.027 12.636 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.137 36.694 10.416 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.496 36.613 12.157 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.967 35.271 11.087 1.00 0.00 H new ATOM 1230 N ASN A 75 0.977 32.746 15.256 1.00 0.00 N ATOM 1231 CA ASN A 75 0.997 31.499 16.008 1.00 0.00 C ATOM 1232 C ASN A 75 -0.392 30.875 15.981 1.00 0.00 C ATOM 1233 O ASN A 75 -0.550 29.674 15.772 1.00 0.00 O ATOM 1234 CB ASN A 75 1.417 31.790 17.449 1.00 0.00 C ATOM 1235 CG ASN A 75 2.846 32.325 17.462 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.613 32.055 16.543 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.246 33.085 18.443 1.00 0.00 N ATOM 0 H ASN A 75 1.296 33.565 15.774 1.00 0.00 H new ATOM 0 HA ASN A 75 1.708 30.804 15.562 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.740 32.518 17.897 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.351 30.882 18.049 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.196 33.455 18.447 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.608 33.309 19.207 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.396 31.716 16.186 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.781 31.269 16.181 1.00 0.00 C ATOM 1246 C GLU A 76 -3.211 30.825 14.787 1.00 0.00 C ATOM 1247 O GLU A 76 -3.876 29.804 14.624 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.677 32.418 16.638 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.384 32.746 18.101 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.249 33.919 18.541 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -4.751 34.615 17.674 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -4.394 34.110 19.737 1.00 0.00 O ATOM 0 H GLU A 76 -1.276 32.714 16.358 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.873 30.419 16.857 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.504 33.297 16.016 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.725 32.144 16.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.585 31.877 18.727 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.329 32.991 18.226 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.818 31.592 13.779 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.163 31.262 12.404 1.00 0.00 C ATOM 1261 C GLN A 77 -2.397 30.032 11.945 1.00 0.00 C ATOM 1262 O GLN A 77 -2.942 29.155 11.276 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.826 32.439 11.497 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.699 33.629 11.875 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.410 34.791 10.939 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.562 34.679 10.057 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -4.069 35.904 11.073 1.00 0.00 N ATOM 0 H GLN A 77 -2.264 32.441 13.887 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.231 31.051 12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.772 32.700 11.596 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.991 32.169 10.454 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.752 33.354 11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.504 33.923 12.906 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.773 35.995 11.806 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.882 36.686 10.445 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.131 29.977 12.322 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.284 28.854 11.962 1.00 0.00 C ATOM 1278 C TRP A 78 -0.932 27.550 12.409 1.00 0.00 C ATOM 1279 O TRP A 78 -0.985 26.581 11.652 1.00 0.00 O ATOM 1280 CB TRP A 78 1.075 29.010 12.645 1.00 0.00 C ATOM 1281 CG TRP A 78 2.118 28.297 11.857 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.180 26.960 11.659 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.261 28.871 11.162 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.292 26.682 10.879 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.987 27.826 10.552 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.730 30.188 11.003 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.138 28.073 9.811 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.891 30.443 10.258 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.596 29.385 9.662 1.00 0.00 C ATOM 0 H TRP A 78 -0.668 30.697 12.877 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.153 28.833 10.880 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.330 30.066 12.732 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.032 28.608 13.657 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.481 26.232 12.044 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.563 25.744 10.583 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.193 31.008 11.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.675 27.255 9.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.244 31.457 10.142 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.490 29.585 9.090 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.437 27.533 13.646 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.088 26.341 14.177 1.00 0.00 C ATOM 1302 C ASN A 79 -3.502 26.207 13.610 1.00 0.00 C ATOM 1303 O ASN A 79 -3.983 25.098 13.383 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.164 26.396 15.707 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.778 26.608 16.308 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.197 26.000 15.860 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.633 27.434 17.309 1.00 0.00 N ATOM 0 H ASN A 79 -1.406 28.324 14.289 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.493 25.477 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.827 27.205 16.014 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.593 25.470 16.088 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.288 27.578 17.722 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.441 27.936 17.678 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.164 27.345 13.380 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.519 27.327 12.833 1.00 0.00 C ATOM 1316 C LYS A 80 -5.528 26.603 11.495 1.00 0.00 C ATOM 1317 O LYS A 80 -6.480 25.893 11.164 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.045 28.751 12.649 1.00 0.00 C ATOM 1319 CG LYS A 80 -7.482 28.684 12.133 1.00 0.00 C ATOM 1320 CD LYS A 80 -8.005 30.094 11.861 1.00 0.00 C ATOM 1321 CE LYS A 80 -9.437 30.006 11.331 1.00 0.00 C ATOM 1322 NZ LYS A 80 -10.394 29.925 12.473 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.789 28.276 13.562 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.167 26.802 13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.009 29.292 13.595 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.417 29.297 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.522 28.090 11.220 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.118 28.186 12.865 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.979 30.687 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.366 30.598 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -9.662 30.878 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.545 29.130 10.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -11.366 29.865 12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -10.185 29.080 13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.299 30.774 13.067 1.00 0.00 H new ATOM 1336 N ASP A 81 -4.449 26.777 10.737 1.00 0.00 N ATOM 1337 CA ASP A 81 -4.315 26.125 9.441 1.00 0.00 C ATOM 1338 C ASP A 81 -3.241 25.047 9.520 1.00 0.00 C ATOM 1339 O ASP A 81 -3.597 23.882 9.492 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.937 27.148 8.363 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.852 26.463 7.001 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -4.634 25.554 6.770 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -3.009 26.854 6.213 1.00 0.00 O ATOM 1344 OXT ASP A 81 -2.080 25.405 9.616 1.00 0.00 O ATOM 0 H ASP A 81 -3.657 27.363 10.999 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.270 25.672 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.678 27.947 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.980 27.610 8.607 1.00 0.00 H new