USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 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: B 101 SER OG : rot -39:sc= 1.51 USER MOD Set 1.2: B 104 ASN : amide:sc= 1.05 K(o=2.6,f=0.44) USER MOD Set 2.1: A 29 THR OG1 : rot 42:sc= 0.496 USER MOD Set 2.2: A 40 MET CE :methyl -175:sc= -1.19 (180deg=-1.31) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 169:sc= 1.47 (180deg=0.603) USER MOD Set 3.2: B 102 THR OG1 : rot 81:sc= 1.94 USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -1.17 F(o=-3.6!,f=-2.3) USER MOD Set 4.2: A 20 HIS : no HE2:sc= -1.14 K(o=-2.3,f=-3.1) USER MOD Set 5.1: A 12 GLN : amide:sc= 0.638 K(o=2.5,f=0.99) USER MOD Set 5.2: A 16 SER OG : rot 80:sc= 1.85 USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 1.09 (180deg=1.07) USER MOD Single : A 7 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-6.7!) USER MOD Single : A 9 HIS : no HD1:sc= 0.768 K(o=0.77,f=-6.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 24 GLN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0255) USER MOD Single : A 42 ASN : amide:sc= 0.038 X(o=0.038,f=-0.00053) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0311) USER MOD Single : A 54 MET CE :methyl 136:sc= 0 (180deg=-0.59) USER MOD Single : A 55 TYR OH : rot 0:sc= 0.236 USER MOD Single : A 57 SER OG : rot 75:sc= 1.15 USER MOD Single : A 59 ASN : amide:sc= 0.937 K(o=0.94,f=-0.079) USER MOD Single : A 60 SER OG : rot 170:sc= 0.0862 USER MOD Single : A 64 TYR OH : rot 12:sc= 1.24 USER MOD Single : A 65 TYR OH : rot 30:sc= 0.939 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0.799 K(o=0.8,f=-4.4!) USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= -0.0614 (180deg=-0.297) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ -176:sc= 0.744 (180deg=0.73) USER MOD Single : B 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 5.380 -9.177 -2.483 1.00 10.00 N ATOM 51 CA LYS A 4 4.866 -9.156 -3.850 1.00 10.00 C ATOM 52 C LYS A 4 5.793 -9.926 -4.803 1.00 10.00 C ATOM 53 O LYS A 4 5.748 -9.725 -6.014 1.00 10.00 O ATOM 54 CB LYS A 4 4.702 -7.687 -4.286 1.00 10.00 C ATOM 55 CG LYS A 4 3.549 -7.446 -5.272 1.00 10.00 C ATOM 56 CD LYS A 4 2.191 -7.806 -4.665 1.00 10.00 C ATOM 57 CE LYS A 4 1.109 -6.777 -4.995 1.00 10.00 C ATOM 58 NZ LYS A 4 0.899 -6.620 -6.443 1.00 10.00 N ATOM 0 HA LYS A 4 3.898 -9.655 -3.887 1.00 10.00 H new ATOM 0 HB2 LYS A 4 4.541 -7.073 -3.400 1.00 10.00 H new ATOM 0 HB3 LYS A 4 5.632 -7.350 -4.743 1.00 10.00 H new ATOM 0 HG2 LYS A 4 3.544 -6.399 -5.576 1.00 10.00 H new ATOM 0 HG3 LYS A 4 3.712 -8.038 -6.172 1.00 10.00 H new ATOM 0 HD2 LYS A 4 1.881 -8.784 -5.032 1.00 10.00 H new ATOM 0 HD3 LYS A 4 2.291 -7.888 -3.583 1.00 10.00 H new ATOM 0 HE2 LYS A 4 0.172 -7.078 -4.526 1.00 10.00 H new ATOM 0 HE3 LYS A 4 1.386 -5.814 -4.565 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 0.122 -5.950 -6.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 1.769 -6.258 -6.883 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 0.658 -7.541 -6.861 1.00 10.00 H new ATOM 72 N GLY A 5 6.678 -10.778 -4.276 1.00 10.00 N ATOM 73 CA GLY A 5 7.747 -11.402 -5.043 1.00 10.00 C ATOM 74 C GLY A 5 8.846 -10.379 -5.323 1.00 10.00 C ATOM 75 O GLY A 5 9.956 -10.470 -4.807 1.00 10.00 O ATOM 0 H GLY A 5 6.667 -11.053 -3.294 1.00 10.00 H new ATOM 0 HA2 GLY A 5 8.157 -12.248 -4.492 1.00 10.00 H new ATOM 0 HA3 GLY A 5 7.354 -11.793 -5.981 1.00 10.00 H new ATOM 79 N TRP A 6 8.516 -9.364 -6.118 1.00 10.00 N ATOM 80 CA TRP A 6 9.440 -8.318 -6.539 1.00 10.00 C ATOM 81 C TRP A 6 9.835 -7.358 -5.406 1.00 10.00 C ATOM 82 O TRP A 6 10.745 -6.548 -5.576 1.00 10.00 O ATOM 83 CB TRP A 6 8.833 -7.579 -7.736 1.00 10.00 C ATOM 84 CG TRP A 6 7.556 -6.829 -7.489 1.00 10.00 C ATOM 85 CD1 TRP A 6 6.312 -7.320 -7.689 1.00 10.00 C ATOM 86 CD2 TRP A 6 7.368 -5.451 -7.035 1.00 10.00 C ATOM 87 NE1 TRP A 6 5.380 -6.347 -7.410 1.00 10.00 N ATOM 88 CE2 TRP A 6 5.970 -5.178 -7.004 1.00 10.00 C ATOM 89 CE3 TRP A 6 8.225 -4.399 -6.648 1.00 10.00 C ATOM 90 CZ2 TRP A 6 5.443 -3.940 -6.621 1.00 10.00 C ATOM 91 CZ3 TRP A 6 7.706 -3.146 -6.268 1.00 10.00 C ATOM 92 CH2 TRP A 6 6.323 -2.914 -6.265 1.00 10.00 C ATOM 0 H TRP A 6 7.576 -9.245 -6.495 1.00 10.00 H new ATOM 0 HA TRP A 6 10.377 -8.790 -6.836 1.00 10.00 H new ATOM 0 HB2 TRP A 6 9.574 -6.874 -8.112 1.00 10.00 H new ATOM 0 HB3 TRP A 6 8.653 -8.305 -8.529 1.00 10.00 H new ATOM 0 HD1 TRP A 6 6.085 -8.323 -8.018 1.00 10.00 H new ATOM 0 HE1 TRP A 6 4.372 -6.479 -7.495 1.00 10.00 H new ATOM 0 HE3 TRP A 6 9.293 -4.557 -6.643 1.00 10.00 H new ATOM 0 HZ2 TRP A 6 4.375 -3.780 -6.601 1.00 10.00 H new ATOM 0 HZ3 TRP A 6 8.381 -2.355 -5.976 1.00 10.00 H new ATOM 0 HH2 TRP A 6 5.938 -1.944 -5.988 1.00 10.00 H new ATOM 103 N HIS A 7 9.167 -7.443 -4.250 1.00 10.00 N ATOM 104 CA HIS A 7 9.386 -6.573 -3.097 1.00 10.00 C ATOM 105 C HIS A 7 10.843 -6.661 -2.649 1.00 10.00 C ATOM 106 O HIS A 7 11.452 -5.670 -2.252 1.00 10.00 O ATOM 107 CB HIS A 7 8.446 -6.994 -1.959 1.00 10.00 C ATOM 108 CG HIS A 7 8.642 -8.413 -1.496 1.00 10.00 C ATOM 109 ND1 HIS A 7 8.219 -9.539 -2.201 1.00 10.00 N ATOM 110 CD2 HIS A 7 9.308 -8.803 -0.371 1.00 10.00 C ATOM 111 CE1 HIS A 7 8.652 -10.590 -1.485 1.00 10.00 C ATOM 112 NE2 HIS A 7 9.302 -10.179 -0.382 1.00 10.00 N ATOM 0 H HIS A 7 8.439 -8.140 -4.090 1.00 10.00 H new ATOM 0 HA HIS A 7 9.172 -5.540 -3.371 1.00 10.00 H new ATOM 0 HB2 HIS A 7 8.593 -6.323 -1.113 1.00 10.00 H new ATOM 0 HB3 HIS A 7 7.415 -6.869 -2.289 1.00 10.00 H new ATOM 0 HD2 HIS A 7 9.750 -8.162 0.377 1.00 10.00 H new ATOM 0 HE1 HIS A 7 8.499 -11.624 -1.758 1.00 10.00 H new ATOM 0 HE2 HIS A 7 9.719 -10.784 0.326 1.00 10.00 H new ATOM 120 N GLU A 8 11.378 -7.879 -2.749 1.00 10.00 N ATOM 121 CA GLU A 8 12.737 -8.298 -2.476 1.00 10.00 C ATOM 122 C GLU A 8 13.804 -7.224 -2.715 1.00 10.00 C ATOM 123 O GLU A 8 14.698 -7.062 -1.888 1.00 10.00 O ATOM 124 CB GLU A 8 12.982 -9.545 -3.331 1.00 10.00 C ATOM 125 CG GLU A 8 12.294 -10.776 -2.722 1.00 10.00 C ATOM 126 CD GLU A 8 12.354 -12.004 -3.628 1.00 10.00 C ATOM 127 OE1 GLU A 8 13.164 -11.985 -4.580 1.00 10.00 O ATOM 128 OE2 GLU A 8 11.589 -12.950 -3.338 1.00 10.00 O ATOM 0 H GLU A 8 10.807 -8.667 -3.054 1.00 10.00 H new ATOM 0 HA GLU A 8 12.834 -8.506 -1.410 1.00 10.00 H new ATOM 0 HB2 GLU A 8 12.607 -9.377 -4.341 1.00 10.00 H new ATOM 0 HB3 GLU A 8 14.053 -9.728 -3.415 1.00 10.00 H new ATOM 0 HG2 GLU A 8 12.764 -11.013 -1.767 1.00 10.00 H new ATOM 0 HG3 GLU A 8 11.251 -10.536 -2.513 1.00 10.00 H new ATOM 135 N HIS A 9 13.737 -6.524 -3.850 1.00 10.00 N ATOM 136 CA HIS A 9 14.766 -5.574 -4.279 1.00 10.00 C ATOM 137 C HIS A 9 14.272 -4.121 -4.282 1.00 10.00 C ATOM 138 O HIS A 9 14.903 -3.266 -4.906 1.00 10.00 O ATOM 139 CB HIS A 9 15.368 -6.009 -5.626 1.00 10.00 C ATOM 140 CG HIS A 9 14.372 -6.586 -6.593 1.00 10.00 C ATOM 141 ND1 HIS A 9 13.616 -5.875 -7.525 1.00 10.00 N ATOM 142 CD2 HIS A 9 14.032 -7.905 -6.637 1.00 10.00 C ATOM 143 CE1 HIS A 9 12.840 -6.796 -8.119 1.00 10.00 C ATOM 144 NE2 HIS A 9 13.068 -8.020 -7.609 1.00 10.00 N ATOM 0 H HIS A 9 12.958 -6.602 -4.504 1.00 10.00 H new ATOM 0 HA HIS A 9 15.567 -5.593 -3.540 1.00 10.00 H new ATOM 0 HB2 HIS A 9 15.850 -5.148 -6.090 1.00 10.00 H new ATOM 0 HB3 HIS A 9 16.147 -6.749 -5.440 1.00 10.00 H new ATOM 0 HD2 HIS A 9 14.439 -8.700 -6.030 1.00 10.00 H new ATOM 0 HE1 HIS A 9 12.128 -6.583 -8.902 1.00 10.00 H new ATOM 0 HE2 HIS A 9 12.606 -8.883 -7.894 1.00 10.00 H new ATOM 152 N VAL A 10 13.179 -3.818 -3.570 1.00 10.00 N ATOM 153 CA VAL A 10 12.623 -2.472 -3.463 1.00 10.00 C ATOM 154 C VAL A 10 12.593 -2.052 -1.992 1.00 10.00 C ATOM 155 O VAL A 10 11.664 -2.381 -1.255 1.00 10.00 O ATOM 156 CB VAL A 10 11.250 -2.416 -4.159 1.00 10.00 C ATOM 157 CG1 VAL A 10 10.567 -1.052 -3.976 1.00 10.00 C ATOM 158 CG2 VAL A 10 11.453 -2.685 -5.658 1.00 10.00 C ATOM 0 H VAL A 10 12.651 -4.516 -3.045 1.00 10.00 H new ATOM 0 HA VAL A 10 13.252 -1.747 -3.980 1.00 10.00 H new ATOM 0 HB VAL A 10 10.605 -3.170 -3.708 1.00 10.00 H new ATOM 0 HG11 VAL A 10 9.602 -1.057 -4.483 1.00 10.00 H new ATOM 0 HG12 VAL A 10 10.418 -0.859 -2.914 1.00 10.00 H new ATOM 0 HG13 VAL A 10 11.196 -0.270 -4.402 1.00 10.00 H new ATOM 0 HG21 VAL A 10 10.490 -2.649 -6.168 1.00 10.00 H new ATOM 0 HG22 VAL A 10 12.114 -1.927 -6.077 1.00 10.00 H new ATOM 0 HG23 VAL A 10 11.899 -3.670 -5.794 1.00 10.00 H new ATOM 168 N THR A 11 13.626 -1.324 -1.562 1.00 10.00 N ATOM 169 CA THR A 11 13.807 -0.881 -0.191 1.00 10.00 C ATOM 170 C THR A 11 13.089 0.444 0.073 1.00 10.00 C ATOM 171 O THR A 11 12.738 1.186 -0.849 1.00 10.00 O ATOM 172 CB THR A 11 15.314 -0.733 0.058 1.00 10.00 C ATOM 173 OG1 THR A 11 15.885 -0.004 -1.013 1.00 10.00 O ATOM 174 CG2 THR A 11 15.983 -2.106 0.144 1.00 10.00 C ATOM 0 H THR A 11 14.378 -1.021 -2.182 1.00 10.00 H new ATOM 0 HA THR A 11 13.374 -1.615 0.489 1.00 10.00 H new ATOM 0 HB THR A 11 15.469 -0.209 1.001 1.00 10.00 H new ATOM 0 HG1 THR A 11 16.848 0.098 -0.863 1.00 10.00 H new ATOM 0 HG21 THR A 11 17.051 -1.980 0.321 1.00 10.00 H new ATOM 0 HG22 THR A 11 15.544 -2.674 0.964 1.00 10.00 H new ATOM 0 HG23 THR A 11 15.831 -2.644 -0.792 1.00 10.00 H new ATOM 182 N GLN A 12 12.920 0.763 1.362 1.00 10.00 N ATOM 183 CA GLN A 12 12.287 1.991 1.815 1.00 10.00 C ATOM 184 C GLN A 12 12.878 3.212 1.118 1.00 10.00 C ATOM 185 O GLN A 12 12.132 4.081 0.688 1.00 10.00 O ATOM 186 CB GLN A 12 12.391 2.103 3.340 1.00 10.00 C ATOM 187 CG GLN A 12 11.746 3.388 3.882 1.00 10.00 C ATOM 188 CD GLN A 12 10.274 3.529 3.498 1.00 10.00 C ATOM 189 OE1 GLN A 12 9.515 2.569 3.578 1.00 10.00 O ATOM 190 NE2 GLN A 12 9.850 4.711 3.058 1.00 10.00 N ATOM 0 H GLN A 12 13.227 0.160 2.126 1.00 10.00 H new ATOM 0 HA GLN A 12 11.231 1.957 1.547 1.00 10.00 H new ATOM 0 HB2 GLN A 12 11.911 1.238 3.798 1.00 10.00 H new ATOM 0 HB3 GLN A 12 13.441 2.076 3.632 1.00 10.00 H new ATOM 0 HG2 GLN A 12 11.835 3.401 4.968 1.00 10.00 H new ATOM 0 HG3 GLN A 12 12.297 4.250 3.507 1.00 10.00 H new ATOM 0 HE21 GLN A 12 10.499 5.496 3.000 1.00 10.00 H new ATOM 0 HE22 GLN A 12 8.876 4.832 2.779 1.00 10.00 H new ATOM 199 N ASP A 13 14.205 3.296 1.010 1.00 10.00 N ATOM 200 CA ASP A 13 14.866 4.409 0.337 1.00 10.00 C ATOM 201 C ASP A 13 14.319 4.600 -1.081 1.00 10.00 C ATOM 202 O ASP A 13 13.991 5.719 -1.470 1.00 10.00 O ATOM 203 CB ASP A 13 16.378 4.160 0.317 1.00 10.00 C ATOM 204 CG ASP A 13 17.108 5.251 -0.459 1.00 10.00 C ATOM 205 OD1 ASP A 13 17.304 6.333 0.133 1.00 10.00 O ATOM 206 OD2 ASP A 13 17.449 4.978 -1.630 1.00 10.00 O ATOM 0 H ASP A 13 14.846 2.597 1.385 1.00 10.00 H new ATOM 0 HA ASP A 13 14.663 5.329 0.886 1.00 10.00 H new ATOM 0 HB2 ASP A 13 16.756 4.122 1.339 1.00 10.00 H new ATOM 0 HB3 ASP A 13 16.583 3.190 -0.135 1.00 10.00 H new ATOM 211 N LEU A 14 14.192 3.514 -1.849 1.00 10.00 N ATOM 212 CA LEU A 14 13.647 3.597 -3.195 1.00 10.00 C ATOM 213 C LEU A 14 12.200 4.082 -3.136 1.00 10.00 C ATOM 214 O LEU A 14 11.842 5.020 -3.842 1.00 10.00 O ATOM 215 CB LEU A 14 13.810 2.256 -3.927 1.00 10.00 C ATOM 216 CG LEU A 14 13.122 2.196 -5.302 1.00 10.00 C ATOM 217 CD1 LEU A 14 13.534 3.328 -6.247 1.00 10.00 C ATOM 218 CD2 LEU A 14 13.473 0.874 -5.989 1.00 10.00 C ATOM 0 H LEU A 14 14.460 2.574 -1.558 1.00 10.00 H new ATOM 0 HA LEU A 14 14.205 4.329 -3.778 1.00 10.00 H new ATOM 0 HB2 LEU A 14 14.873 2.053 -4.057 1.00 10.00 H new ATOM 0 HB3 LEU A 14 13.409 1.461 -3.298 1.00 10.00 H new ATOM 0 HG LEU A 14 12.054 2.292 -5.107 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.009 3.219 -7.196 1.00 10.00 H new ATOM 0 HD12 LEU A 14 13.278 4.288 -5.798 1.00 10.00 H new ATOM 0 HD13 LEU A 14 14.609 3.284 -6.421 1.00 10.00 H new ATOM 0 HD21 LEU A 14 12.986 0.830 -6.963 1.00 10.00 H new ATOM 0 HD22 LEU A 14 14.553 0.807 -6.120 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.130 0.042 -5.374 1.00 10.00 H new ATOM 230 N ARG A 15 11.375 3.481 -2.275 1.00 10.00 N ATOM 231 CA ARG A 15 9.979 3.894 -2.121 1.00 10.00 C ATOM 232 C ARG A 15 9.897 5.400 -1.839 1.00 10.00 C ATOM 233 O ARG A 15 9.174 6.131 -2.512 1.00 10.00 O ATOM 234 CB ARG A 15 9.298 3.081 -1.010 1.00 10.00 C ATOM 235 CG ARG A 15 9.336 1.579 -1.315 1.00 10.00 C ATOM 236 CD ARG A 15 8.808 0.754 -0.140 1.00 10.00 C ATOM 237 NE ARG A 15 9.259 -0.638 -0.273 1.00 10.00 N ATOM 238 CZ ARG A 15 8.494 -1.736 -0.264 1.00 10.00 C ATOM 239 NH1 ARG A 15 7.195 -1.682 0.048 1.00 10.00 N ATOM 240 NH2 ARG A 15 9.053 -2.901 -0.600 1.00 10.00 N ATOM 0 H ARG A 15 11.651 2.705 -1.673 1.00 10.00 H new ATOM 0 HA ARG A 15 9.448 3.696 -3.052 1.00 10.00 H new ATOM 0 HB2 ARG A 15 9.795 3.274 -0.059 1.00 10.00 H new ATOM 0 HB3 ARG A 15 8.263 3.406 -0.901 1.00 10.00 H new ATOM 0 HG2 ARG A 15 8.739 1.372 -2.203 1.00 10.00 H new ATOM 0 HG3 ARG A 15 10.359 1.278 -1.541 1.00 10.00 H new ATOM 0 HD2 ARG A 15 9.164 1.174 0.801 1.00 10.00 H new ATOM 0 HD3 ARG A 15 7.719 0.793 -0.115 1.00 10.00 H new ATOM 0 HE ARG A 15 10.263 -0.783 -0.384 1.00 10.00 H new ATOM 0 HH11 ARG A 15 6.765 -0.789 0.287 1.00 10.00 H new ATOM 0 HH12 ARG A 15 6.634 -2.534 0.047 1.00 10.00 H new ATOM 0 HH21 ARG A 15 10.040 -2.938 -0.855 1.00 10.00 H new ATOM 0 HH22 ARG A 15 8.493 -3.754 -0.602 1.00 10.00 H new ATOM 254 N SER A 16 10.678 5.860 -0.861 1.00 10.00 N ATOM 255 CA SER A 16 10.812 7.256 -0.472 1.00 10.00 C ATOM 256 C SER A 16 11.184 8.118 -1.682 1.00 10.00 C ATOM 257 O SER A 16 10.553 9.143 -1.943 1.00 10.00 O ATOM 258 CB SER A 16 11.861 7.370 0.644 1.00 10.00 C ATOM 259 OG SER A 16 11.518 6.530 1.732 1.00 10.00 O ATOM 0 H SER A 16 11.258 5.239 -0.296 1.00 10.00 H new ATOM 0 HA SER A 16 9.858 7.624 -0.094 1.00 10.00 H new ATOM 0 HB2 SER A 16 12.843 7.094 0.259 1.00 10.00 H new ATOM 0 HB3 SER A 16 11.930 8.404 0.982 1.00 10.00 H new ATOM 0 HG SER A 16 11.779 5.608 1.528 1.00 10.00 H new ATOM 265 N HIS A 17 12.207 7.700 -2.431 1.00 10.00 N ATOM 266 CA HIS A 17 12.660 8.442 -3.594 1.00 10.00 C ATOM 267 C HIS A 17 11.535 8.552 -4.625 1.00 10.00 C ATOM 268 O HIS A 17 11.192 9.646 -5.061 1.00 10.00 O ATOM 269 CB HIS A 17 13.941 7.820 -4.161 1.00 10.00 C ATOM 270 CG HIS A 17 14.689 8.716 -5.117 1.00 10.00 C ATOM 271 ND1 HIS A 17 14.270 9.087 -6.362 1.00 10.00 N flip ATOM 272 CD2 HIS A 17 15.988 9.186 -4.916 1.00 10.00 C flip ATOM 273 CE1 HIS A 17 15.326 9.751 -6.943 1.00 10.00 C flip ATOM 274 NE2 HIS A 17 16.336 9.796 -6.058 1.00 10.00 N flip ATOM 0 H HIS A 17 12.735 6.847 -2.246 1.00 10.00 H new ATOM 0 HA HIS A 17 12.915 9.461 -3.301 1.00 10.00 H new ATOM 0 HB2 HIS A 17 14.601 7.557 -3.335 1.00 10.00 H new ATOM 0 HB3 HIS A 17 13.686 6.892 -4.673 1.00 10.00 H new ATOM 0 HD2 HIS A 17 16.589 9.080 -4.025 1.00 10.00 H new ATOM 0 HE1 HIS A 17 15.340 10.165 -7.940 1.00 10.00 H new ATOM 0 HE2 HIS A 17 17.241 10.233 -6.231 1.00 10.00 H new ATOM 282 N LEU A 18 10.933 7.422 -5.000 1.00 10.00 N ATOM 283 CA LEU A 18 9.808 7.382 -5.927 1.00 10.00 C ATOM 284 C LEU A 18 8.693 8.326 -5.457 1.00 10.00 C ATOM 285 O LEU A 18 8.224 9.164 -6.225 1.00 10.00 O ATOM 286 CB LEU A 18 9.323 5.932 -6.099 1.00 10.00 C ATOM 287 CG LEU A 18 10.350 5.011 -6.780 1.00 10.00 C ATOM 288 CD1 LEU A 18 9.867 3.560 -6.723 1.00 10.00 C ATOM 289 CD2 LEU A 18 10.607 5.362 -8.244 1.00 10.00 C ATOM 0 H LEU A 18 11.218 6.502 -4.664 1.00 10.00 H new ATOM 0 HA LEU A 18 10.127 7.736 -6.907 1.00 10.00 H new ATOM 0 HB2 LEU A 18 9.075 5.523 -5.120 1.00 10.00 H new ATOM 0 HB3 LEU A 18 8.404 5.933 -6.686 1.00 10.00 H new ATOM 0 HG LEU A 18 11.282 5.148 -6.232 1.00 10.00 H new ATOM 0 HD11 LEU A 18 10.599 2.914 -7.207 1.00 10.00 H new ATOM 0 HD12 LEU A 18 9.747 3.257 -5.683 1.00 10.00 H new ATOM 0 HD13 LEU A 18 8.910 3.474 -7.238 1.00 10.00 H new ATOM 0 HD21 LEU A 18 11.341 4.672 -8.660 1.00 10.00 H new ATOM 0 HD22 LEU A 18 9.676 5.284 -8.806 1.00 10.00 H new ATOM 0 HD23 LEU A 18 10.987 6.381 -8.312 1.00 10.00 H new ATOM 301 N VAL A 19 8.303 8.248 -4.184 1.00 10.00 N ATOM 302 CA VAL A 19 7.379 9.199 -3.578 1.00 10.00 C ATOM 303 C VAL A 19 7.836 10.644 -3.830 1.00 10.00 C ATOM 304 O VAL A 19 7.040 11.449 -4.314 1.00 10.00 O ATOM 305 CB VAL A 19 7.158 8.849 -2.094 1.00 10.00 C ATOM 306 CG1 VAL A 19 6.468 9.960 -1.296 1.00 10.00 C ATOM 307 CG2 VAL A 19 6.287 7.590 -1.988 1.00 10.00 C ATOM 0 H VAL A 19 8.622 7.520 -3.545 1.00 10.00 H new ATOM 0 HA VAL A 19 6.401 9.123 -4.054 1.00 10.00 H new ATOM 0 HB VAL A 19 8.151 8.699 -1.670 1.00 10.00 H new ATOM 0 HG11 VAL A 19 6.346 9.642 -0.260 1.00 10.00 H new ATOM 0 HG12 VAL A 19 7.077 10.864 -1.329 1.00 10.00 H new ATOM 0 HG13 VAL A 19 5.490 10.166 -1.730 1.00 10.00 H new ATOM 0 HG21 VAL A 19 6.131 7.343 -0.938 1.00 10.00 H new ATOM 0 HG22 VAL A 19 5.324 7.773 -2.465 1.00 10.00 H new ATOM 0 HG23 VAL A 19 6.787 6.759 -2.486 1.00 10.00 H new ATOM 317 N HIS A 20 9.096 11.008 -3.561 1.00 10.00 N ATOM 318 CA HIS A 20 9.539 12.360 -3.866 1.00 10.00 C ATOM 319 C HIS A 20 9.534 12.680 -5.369 1.00 10.00 C ATOM 320 O HIS A 20 9.368 13.849 -5.730 1.00 10.00 O ATOM 321 CB HIS A 20 10.804 12.766 -3.097 1.00 10.00 C ATOM 322 CG HIS A 20 12.147 12.189 -3.460 1.00 10.00 C ATOM 323 ND1 HIS A 20 13.147 11.928 -2.520 1.00 10.00 N ATOM 324 CD2 HIS A 20 12.701 12.168 -4.708 1.00 10.00 C ATOM 325 CE1 HIS A 20 14.264 11.699 -3.225 1.00 10.00 C ATOM 326 NE2 HIS A 20 14.023 11.825 -4.541 1.00 10.00 N ATOM 0 H HIS A 20 9.803 10.401 -3.145 1.00 10.00 H new ATOM 0 HA HIS A 20 8.778 13.033 -3.472 1.00 10.00 H new ATOM 0 HB2 HIS A 20 10.890 13.850 -3.173 1.00 10.00 H new ATOM 0 HB3 HIS A 20 10.629 12.533 -2.047 1.00 10.00 H new ATOM 0 HD1 HIS A 20 13.048 11.914 -1.505 1.00 10.00 H new ATOM 0 HD2 HIS A 20 12.200 12.379 -5.641 1.00 10.00 H new ATOM 0 HE1 HIS A 20 15.223 11.448 -2.796 1.00 10.00 H new ATOM 334 N LYS A 21 9.679 11.683 -6.256 1.00 10.00 N ATOM 335 CA LYS A 21 9.459 11.894 -7.689 1.00 10.00 C ATOM 336 C LYS A 21 7.999 12.299 -7.920 1.00 10.00 C ATOM 337 O LYS A 21 7.727 13.257 -8.643 1.00 10.00 O ATOM 338 CB LYS A 21 9.838 10.682 -8.563 1.00 10.00 C ATOM 339 CG LYS A 21 11.297 10.219 -8.440 1.00 10.00 C ATOM 340 CD LYS A 21 12.320 11.180 -9.069 1.00 10.00 C ATOM 341 CE LYS A 21 12.460 10.967 -10.581 1.00 10.00 C ATOM 342 NZ LYS A 21 13.207 9.734 -10.893 1.00 10.00 N ATOM 0 H LYS A 21 9.946 10.731 -6.005 1.00 10.00 H new ATOM 0 HA LYS A 21 10.128 12.695 -8.002 1.00 10.00 H new ATOM 0 HB2 LYS A 21 9.186 9.848 -8.303 1.00 10.00 H new ATOM 0 HB3 LYS A 21 9.639 10.929 -9.606 1.00 10.00 H new ATOM 0 HG2 LYS A 21 11.538 10.090 -7.385 1.00 10.00 H new ATOM 0 HG3 LYS A 21 11.397 9.241 -8.911 1.00 10.00 H new ATOM 0 HD2 LYS A 21 12.017 12.209 -8.875 1.00 10.00 H new ATOM 0 HD3 LYS A 21 13.290 11.038 -8.592 1.00 10.00 H new ATOM 0 HE2 LYS A 21 11.470 10.917 -11.034 1.00 10.00 H new ATOM 0 HE3 LYS A 21 12.970 11.823 -11.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 13.123 9.524 -11.908 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 14.209 9.864 -10.648 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 12.816 8.943 -10.343 1.00 10.00 H new ATOM 356 N LEU A 22 7.052 11.601 -7.285 1.00 10.00 N ATOM 357 CA LEU A 22 5.647 11.990 -7.354 1.00 10.00 C ATOM 358 C LEU A 22 5.463 13.432 -6.873 1.00 10.00 C ATOM 359 O LEU A 22 4.901 14.255 -7.597 1.00 10.00 O ATOM 360 CB LEU A 22 4.744 11.035 -6.563 1.00 10.00 C ATOM 361 CG LEU A 22 4.837 9.557 -6.963 1.00 10.00 C ATOM 362 CD1 LEU A 22 3.814 8.771 -6.146 1.00 10.00 C ATOM 363 CD2 LEU A 22 4.542 9.364 -8.452 1.00 10.00 C ATOM 0 H LEU A 22 7.235 10.770 -6.722 1.00 10.00 H new ATOM 0 HA LEU A 22 5.344 11.927 -8.399 1.00 10.00 H new ATOM 0 HB2 LEU A 22 4.990 11.123 -5.505 1.00 10.00 H new ATOM 0 HB3 LEU A 22 3.710 11.361 -6.679 1.00 10.00 H new ATOM 0 HG LEU A 22 5.849 9.203 -6.769 1.00 10.00 H new ATOM 0 HD11 LEU A 22 3.865 7.716 -6.417 1.00 10.00 H new ATOM 0 HD12 LEU A 22 4.032 8.884 -5.084 1.00 10.00 H new ATOM 0 HD13 LEU A 22 2.814 9.151 -6.353 1.00 10.00 H new ATOM 0 HD21 LEU A 22 4.616 8.306 -8.703 1.00 10.00 H new ATOM 0 HD22 LEU A 22 3.536 9.720 -8.673 1.00 10.00 H new ATOM 0 HD23 LEU A 22 5.264 9.929 -9.042 1.00 10.00 H new ATOM 375 N VAL A 23 5.939 13.746 -5.661 1.00 10.00 N ATOM 376 CA VAL A 23 5.785 15.090 -5.111 1.00 10.00 C ATOM 377 C VAL A 23 6.334 16.127 -6.087 1.00 10.00 C ATOM 378 O VAL A 23 5.597 17.035 -6.458 1.00 10.00 O ATOM 379 CB VAL A 23 6.397 15.238 -3.707 1.00 10.00 C ATOM 380 CG1 VAL A 23 6.251 16.684 -3.191 1.00 10.00 C ATOM 381 CG2 VAL A 23 5.696 14.303 -2.713 1.00 10.00 C ATOM 0 H VAL A 23 6.429 13.091 -5.051 1.00 10.00 H new ATOM 0 HA VAL A 23 4.717 15.269 -4.983 1.00 10.00 H new ATOM 0 HB VAL A 23 7.453 14.980 -3.785 1.00 10.00 H new ATOM 0 HG11 VAL A 23 6.691 16.762 -2.197 1.00 10.00 H new ATOM 0 HG12 VAL A 23 6.764 17.366 -3.869 1.00 10.00 H new ATOM 0 HG13 VAL A 23 5.195 16.948 -3.141 1.00 10.00 H new ATOM 0 HG21 VAL A 23 6.142 14.421 -1.726 1.00 10.00 H new ATOM 0 HG22 VAL A 23 4.636 14.552 -2.665 1.00 10.00 H new ATOM 0 HG23 VAL A 23 5.811 13.270 -3.042 1.00 10.00 H new ATOM 391 N GLN A 24 7.595 16.010 -6.521 1.00 10.00 N ATOM 392 CA GLN A 24 8.169 17.019 -7.409 1.00 10.00 C ATOM 393 C GLN A 24 7.427 17.093 -8.750 1.00 10.00 C ATOM 394 O GLN A 24 7.276 18.181 -9.302 1.00 10.00 O ATOM 395 CB GLN A 24 9.689 16.862 -7.540 1.00 10.00 C ATOM 396 CG GLN A 24 10.105 15.687 -8.427 1.00 10.00 C ATOM 397 CD GLN A 24 11.538 15.257 -8.148 1.00 10.00 C ATOM 398 OE1 GLN A 24 12.424 15.416 -8.979 1.00 10.00 O ATOM 399 NE2 GLN A 24 11.770 14.697 -6.966 1.00 10.00 N ATOM 0 H GLN A 24 8.222 15.244 -6.277 1.00 10.00 H new ATOM 0 HA GLN A 24 8.019 17.995 -6.948 1.00 10.00 H new ATOM 0 HB2 GLN A 24 10.108 17.782 -7.948 1.00 10.00 H new ATOM 0 HB3 GLN A 24 10.120 16.729 -6.548 1.00 10.00 H new ATOM 0 HG2 GLN A 24 9.432 14.846 -8.258 1.00 10.00 H new ATOM 0 HG3 GLN A 24 10.006 15.968 -9.475 1.00 10.00 H new ATOM 0 HE21 GLN A 24 11.008 14.581 -6.298 1.00 10.00 H new ATOM 0 HE22 GLN A 24 12.710 14.383 -6.726 1.00 10.00 H new ATOM 408 N ALA A 25 6.945 15.958 -9.273 1.00 10.00 N ATOM 409 CA ALA A 25 6.160 15.949 -10.501 1.00 10.00 C ATOM 410 C ALA A 25 4.884 16.784 -10.355 1.00 10.00 C ATOM 411 O ALA A 25 4.562 17.591 -11.230 1.00 10.00 O ATOM 412 CB ALA A 25 5.838 14.511 -10.915 1.00 10.00 C ATOM 0 H ALA A 25 7.088 15.037 -8.860 1.00 10.00 H new ATOM 0 HA ALA A 25 6.756 16.408 -11.290 1.00 10.00 H new ATOM 0 HB1 ALA A 25 5.251 14.520 -11.834 1.00 10.00 H new ATOM 0 HB2 ALA A 25 6.766 13.964 -11.082 1.00 10.00 H new ATOM 0 HB3 ALA A 25 5.267 14.024 -10.124 1.00 10.00 H new ATOM 418 N ILE A 26 4.147 16.590 -9.257 1.00 10.00 N ATOM 419 CA ILE A 26 2.955 17.385 -8.987 1.00 10.00 C ATOM 420 C ILE A 26 3.363 18.845 -8.749 1.00 10.00 C ATOM 421 O ILE A 26 2.927 19.758 -9.451 1.00 10.00 O ATOM 422 CB ILE A 26 2.189 16.818 -7.766 1.00 10.00 C ATOM 423 CG1 ILE A 26 1.751 15.361 -8.000 1.00 10.00 C ATOM 424 CG2 ILE A 26 0.957 17.687 -7.463 1.00 10.00 C ATOM 425 CD1 ILE A 26 1.289 14.644 -6.727 1.00 10.00 C ATOM 0 H ILE A 26 4.358 15.890 -8.545 1.00 10.00 H new ATOM 0 HA ILE A 26 2.287 17.339 -9.847 1.00 10.00 H new ATOM 0 HB ILE A 26 2.867 16.836 -6.913 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.940 15.347 -8.729 1.00 10.00 H new ATOM 0 HG13 ILE A 26 2.582 14.807 -8.437 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.426 17.279 -6.603 1.00 10.00 H new ATOM 0 HG22 ILE A 26 1.276 18.706 -7.243 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.294 17.693 -8.328 1.00 10.00 H new ATOM 0 HD11 ILE A 26 0.996 13.623 -6.971 1.00 10.00 H new ATOM 0 HD12 ILE A 26 2.104 14.625 -6.004 1.00 10.00 H new ATOM 0 HD13 ILE A 26 0.437 15.174 -6.300 1.00 10.00 H new ATOM 437 N PHE A 27 4.186 19.037 -7.721 1.00 10.00 N ATOM 438 CA PHE A 27 4.567 20.301 -7.121 1.00 10.00 C ATOM 439 C PHE A 27 6.098 20.339 -7.009 1.00 10.00 C ATOM 440 O PHE A 27 6.641 19.763 -6.060 1.00 10.00 O ATOM 441 CB PHE A 27 3.894 20.326 -5.739 1.00 10.00 C ATOM 442 CG PHE A 27 3.892 21.639 -4.979 1.00 10.00 C ATOM 443 CD1 PHE A 27 5.086 22.127 -4.415 1.00 10.00 C ATOM 444 CD2 PHE A 27 2.662 22.179 -4.559 1.00 10.00 C ATOM 445 CE1 PHE A 27 5.047 23.086 -3.393 1.00 10.00 C ATOM 446 CE2 PHE A 27 2.624 23.163 -3.557 1.00 10.00 C ATOM 447 CZ PHE A 27 3.817 23.616 -2.968 1.00 10.00 C ATOM 0 H PHE A 27 4.635 18.249 -7.254 1.00 10.00 H new ATOM 0 HA PHE A 27 4.257 21.168 -7.704 1.00 10.00 H new ATOM 0 HB2 PHE A 27 2.858 20.010 -5.865 1.00 10.00 H new ATOM 0 HB3 PHE A 27 4.382 19.578 -5.115 1.00 10.00 H new ATOM 0 HD1 PHE A 27 6.037 21.761 -4.772 1.00 10.00 H new ATOM 0 HD2 PHE A 27 1.743 21.835 -5.009 1.00 10.00 H new ATOM 0 HE1 PHE A 27 5.965 23.418 -2.931 1.00 10.00 H new ATOM 0 HE2 PHE A 27 1.676 23.572 -3.239 1.00 10.00 H new ATOM 0 HZ PHE A 27 3.788 24.367 -2.193 1.00 10.00 H new ATOM 457 N PRO A 28 6.816 20.998 -7.937 1.00 10.00 N ATOM 458 CA PRO A 28 8.274 21.036 -7.932 1.00 10.00 C ATOM 459 C PRO A 28 8.775 21.817 -6.711 1.00 10.00 C ATOM 460 O PRO A 28 9.023 23.019 -6.763 1.00 10.00 O ATOM 461 CB PRO A 28 8.674 21.650 -9.274 1.00 10.00 C ATOM 462 CG PRO A 28 7.474 22.524 -9.636 1.00 10.00 C ATOM 463 CD PRO A 28 6.292 21.729 -9.081 1.00 10.00 C ATOM 0 HA PRO A 28 8.732 20.051 -7.837 1.00 10.00 H new ATOM 0 HB2 PRO A 28 9.588 22.238 -9.190 1.00 10.00 H new ATOM 0 HB3 PRO A 28 8.855 20.884 -10.028 1.00 10.00 H new ATOM 0 HG2 PRO A 28 7.544 23.513 -9.183 1.00 10.00 H new ATOM 0 HG3 PRO A 28 7.392 22.671 -10.713 1.00 10.00 H new ATOM 0 HD2 PRO A 28 5.479 22.391 -8.784 1.00 10.00 H new ATOM 0 HD3 PRO A 28 5.891 21.048 -9.831 1.00 10.00 H new ATOM 471 N THR A 29 8.885 21.106 -5.591 1.00 10.00 N ATOM 472 CA THR A 29 9.130 21.662 -4.273 1.00 10.00 C ATOM 473 C THR A 29 10.542 22.265 -4.171 1.00 10.00 C ATOM 474 O THR A 29 11.517 21.555 -4.408 1.00 10.00 O ATOM 475 CB THR A 29 8.903 20.562 -3.235 1.00 10.00 C ATOM 476 OG1 THR A 29 7.595 20.031 -3.379 1.00 10.00 O ATOM 477 CG2 THR A 29 9.056 21.076 -1.801 1.00 10.00 C ATOM 0 H THR A 29 8.802 20.089 -5.582 1.00 10.00 H new ATOM 0 HA THR A 29 8.437 22.482 -4.085 1.00 10.00 H new ATOM 0 HB THR A 29 9.660 19.797 -3.411 1.00 10.00 H new ATOM 0 HG1 THR A 29 7.389 19.922 -4.331 1.00 10.00 H new ATOM 0 HG21 THR A 29 8.885 20.258 -1.101 1.00 10.00 H new ATOM 0 HG22 THR A 29 10.063 21.469 -1.661 1.00 10.00 H new ATOM 0 HG23 THR A 29 8.329 21.867 -1.619 1.00 10.00 H new ATOM 485 N PRO A 30 10.664 23.548 -3.789 1.00 10.00 N ATOM 486 CA PRO A 30 11.924 24.268 -3.669 1.00 10.00 C ATOM 487 C PRO A 30 13.014 23.590 -2.831 1.00 10.00 C ATOM 488 O PRO A 30 14.157 23.518 -3.275 1.00 10.00 O ATOM 489 CB PRO A 30 11.561 25.629 -3.068 1.00 10.00 C ATOM 490 CG PRO A 30 10.140 25.864 -3.568 1.00 10.00 C ATOM 491 CD PRO A 30 9.547 24.456 -3.591 1.00 10.00 C ATOM 0 HA PRO A 30 12.376 24.324 -4.659 1.00 10.00 H new ATOM 0 HB2 PRO A 30 11.607 25.613 -1.979 1.00 10.00 H new ATOM 0 HB3 PRO A 30 12.241 26.412 -3.405 1.00 10.00 H new ATOM 0 HG2 PRO A 30 9.583 26.526 -2.905 1.00 10.00 H new ATOM 0 HG3 PRO A 30 10.131 26.322 -4.557 1.00 10.00 H new ATOM 0 HD2 PRO A 30 9.028 24.237 -2.658 1.00 10.00 H new ATOM 0 HD3 PRO A 30 8.816 24.355 -4.393 1.00 10.00 H new ATOM 499 N ASP A 31 12.698 23.163 -1.601 1.00 10.00 N ATOM 500 CA ASP A 31 13.704 22.718 -0.639 1.00 10.00 C ATOM 501 C ASP A 31 13.139 21.619 0.265 1.00 10.00 C ATOM 502 O ASP A 31 11.982 21.741 0.661 1.00 10.00 O ATOM 503 CB ASP A 31 14.086 23.930 0.224 1.00 10.00 C ATOM 504 CG ASP A 31 15.331 23.663 1.063 1.00 10.00 C ATOM 505 OD1 ASP A 31 15.177 22.997 2.109 1.00 10.00 O ATOM 506 OD2 ASP A 31 16.415 24.113 0.638 1.00 10.00 O ATOM 0 H ASP A 31 11.741 23.118 -1.250 1.00 10.00 H new ATOM 0 HA ASP A 31 14.569 22.316 -1.167 1.00 10.00 H new ATOM 0 HB2 ASP A 31 14.260 24.793 -0.419 1.00 10.00 H new ATOM 0 HB3 ASP A 31 13.254 24.185 0.880 1.00 10.00 H new ATOM 511 N PRO A 32 13.923 20.597 0.655 1.00 10.00 N ATOM 512 CA PRO A 32 13.537 19.621 1.669 1.00 10.00 C ATOM 513 C PRO A 32 12.858 20.235 2.900 1.00 10.00 C ATOM 514 O PRO A 32 11.842 19.726 3.364 1.00 10.00 O ATOM 515 CB PRO A 32 14.830 18.891 2.041 1.00 10.00 C ATOM 516 CG PRO A 32 15.607 18.916 0.727 1.00 10.00 C ATOM 517 CD PRO A 32 15.255 20.288 0.152 1.00 10.00 C ATOM 0 HA PRO A 32 12.779 18.947 1.270 1.00 10.00 H new ATOM 0 HB2 PRO A 32 15.368 19.399 2.841 1.00 10.00 H new ATOM 0 HB3 PRO A 32 14.639 17.873 2.381 1.00 10.00 H new ATOM 0 HG2 PRO A 32 16.679 18.808 0.889 1.00 10.00 H new ATOM 0 HG3 PRO A 32 15.303 18.108 0.062 1.00 10.00 H new ATOM 0 HD2 PRO A 32 15.977 21.041 0.467 1.00 10.00 H new ATOM 0 HD3 PRO A 32 15.268 20.271 -0.938 1.00 10.00 H new ATOM 525 N ALA A 33 13.387 21.346 3.423 1.00 10.00 N ATOM 526 CA ALA A 33 12.801 22.035 4.568 1.00 10.00 C ATOM 527 C ALA A 33 11.321 22.361 4.344 1.00 10.00 C ATOM 528 O ALA A 33 10.522 22.309 5.278 1.00 10.00 O ATOM 529 CB ALA A 33 13.596 23.307 4.870 1.00 10.00 C ATOM 0 H ALA A 33 14.232 21.789 3.062 1.00 10.00 H new ATOM 0 HA ALA A 33 12.854 21.366 5.427 1.00 10.00 H new ATOM 0 HB1 ALA A 33 13.154 23.818 5.726 1.00 10.00 H new ATOM 0 HB2 ALA A 33 14.629 23.045 5.098 1.00 10.00 H new ATOM 0 HB3 ALA A 33 13.572 23.966 4.002 1.00 10.00 H new ATOM 535 N ALA A 34 10.943 22.669 3.101 1.00 10.00 N ATOM 536 CA ALA A 34 9.569 22.986 2.744 1.00 10.00 C ATOM 537 C ALA A 34 8.615 21.842 3.111 1.00 10.00 C ATOM 538 O ALA A 34 7.442 22.087 3.385 1.00 10.00 O ATOM 539 CB ALA A 34 9.486 23.337 1.255 1.00 10.00 C ATOM 0 H ALA A 34 11.590 22.704 2.313 1.00 10.00 H new ATOM 0 HA ALA A 34 9.251 23.855 3.320 1.00 10.00 H new ATOM 0 HB1 ALA A 34 8.454 23.573 0.994 1.00 10.00 H new ATOM 0 HB2 ALA A 34 10.119 24.200 1.049 1.00 10.00 H new ATOM 0 HB3 ALA A 34 9.825 22.488 0.662 1.00 10.00 H new ATOM 545 N LEU A 35 9.111 20.598 3.169 1.00 10.00 N ATOM 546 CA LEU A 35 8.310 19.447 3.566 1.00 10.00 C ATOM 547 C LEU A 35 7.736 19.593 4.984 1.00 10.00 C ATOM 548 O LEU A 35 6.781 18.900 5.325 1.00 10.00 O ATOM 549 CB LEU A 35 9.102 18.139 3.409 1.00 10.00 C ATOM 550 CG LEU A 35 9.685 17.902 2.000 1.00 10.00 C ATOM 551 CD1 LEU A 35 10.560 16.644 2.024 1.00 10.00 C ATOM 552 CD2 LEU A 35 8.601 17.741 0.931 1.00 10.00 C ATOM 0 H LEU A 35 10.078 20.369 2.941 1.00 10.00 H new ATOM 0 HA LEU A 35 7.457 19.405 2.889 1.00 10.00 H new ATOM 0 HB2 LEU A 35 9.919 18.136 4.130 1.00 10.00 H new ATOM 0 HB3 LEU A 35 8.450 17.303 3.663 1.00 10.00 H new ATOM 0 HG LEU A 35 10.272 18.782 1.737 1.00 10.00 H new ATOM 0 HD11 LEU A 35 10.975 16.471 1.031 1.00 10.00 H new ATOM 0 HD12 LEU A 35 11.372 16.779 2.738 1.00 10.00 H new ATOM 0 HD13 LEU A 35 9.956 15.786 2.319 1.00 10.00 H new ATOM 0 HD21 LEU A 35 9.069 17.577 -0.040 1.00 10.00 H new ATOM 0 HD22 LEU A 35 7.970 16.888 1.179 1.00 10.00 H new ATOM 0 HD23 LEU A 35 7.991 18.644 0.892 1.00 10.00 H new ATOM 564 N LYS A 36 8.281 20.497 5.808 1.00 10.00 N ATOM 565 CA LYS A 36 7.721 20.802 7.116 1.00 10.00 C ATOM 566 C LYS A 36 6.328 21.446 7.017 1.00 10.00 C ATOM 567 O LYS A 36 5.565 21.389 7.980 1.00 10.00 O ATOM 568 CB LYS A 36 8.694 21.702 7.884 1.00 10.00 C ATOM 569 CG LYS A 36 10.008 20.977 8.202 1.00 10.00 C ATOM 570 CD LYS A 36 11.007 21.947 8.847 1.00 10.00 C ATOM 571 CE LYS A 36 12.347 21.266 9.153 1.00 10.00 C ATOM 572 NZ LYS A 36 12.222 20.250 10.213 1.00 10.00 N ATOM 0 H LYS A 36 9.119 21.032 5.581 1.00 10.00 H new ATOM 0 HA LYS A 36 7.587 19.866 7.659 1.00 10.00 H new ATOM 0 HB2 LYS A 36 8.905 22.595 7.296 1.00 10.00 H new ATOM 0 HB3 LYS A 36 8.228 22.034 8.812 1.00 10.00 H new ATOM 0 HG2 LYS A 36 9.817 20.141 8.874 1.00 10.00 H new ATOM 0 HG3 LYS A 36 10.432 20.561 7.288 1.00 10.00 H new ATOM 0 HD2 LYS A 36 11.173 22.793 8.181 1.00 10.00 H new ATOM 0 HD3 LYS A 36 10.583 22.345 9.769 1.00 10.00 H new ATOM 0 HE2 LYS A 36 12.731 20.798 8.246 1.00 10.00 H new ATOM 0 HE3 LYS A 36 13.075 22.018 9.456 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 13.163 19.875 10.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 11.801 20.682 11.060 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 11.614 19.475 9.881 1.00 10.00 H new ATOM 586 N ASP A 37 5.980 22.071 5.886 1.00 10.00 N ATOM 587 CA ASP A 37 4.670 22.689 5.710 1.00 10.00 C ATOM 588 C ASP A 37 3.554 21.634 5.762 1.00 10.00 C ATOM 589 O ASP A 37 3.667 20.589 5.132 1.00 10.00 O ATOM 590 CB ASP A 37 4.645 23.453 4.382 1.00 10.00 C ATOM 591 CG ASP A 37 3.242 23.934 4.042 1.00 10.00 C ATOM 592 OD1 ASP A 37 2.883 25.035 4.509 1.00 10.00 O ATOM 593 OD2 ASP A 37 2.539 23.171 3.345 1.00 10.00 O ATOM 0 H ASP A 37 6.595 22.160 5.077 1.00 10.00 H new ATOM 0 HA ASP A 37 4.492 23.390 6.526 1.00 10.00 H new ATOM 0 HB2 ASP A 37 5.320 24.307 4.440 1.00 10.00 H new ATOM 0 HB3 ASP A 37 5.014 22.809 3.584 1.00 10.00 H new ATOM 598 N ARG A 38 2.459 21.918 6.475 1.00 10.00 N ATOM 599 CA ARG A 38 1.340 20.991 6.646 1.00 10.00 C ATOM 600 C ARG A 38 0.752 20.523 5.311 1.00 10.00 C ATOM 601 O ARG A 38 0.569 19.327 5.098 1.00 10.00 O ATOM 602 CB ARG A 38 0.253 21.624 7.537 1.00 10.00 C ATOM 603 CG ARG A 38 0.204 21.051 8.962 1.00 10.00 C ATOM 604 CD ARG A 38 1.389 21.442 9.861 1.00 10.00 C ATOM 605 NE ARG A 38 2.673 20.881 9.416 1.00 10.00 N ATOM 606 CZ ARG A 38 3.022 19.586 9.451 1.00 10.00 C ATOM 607 NH1 ARG A 38 2.185 18.661 9.933 1.00 10.00 N ATOM 608 NH2 ARG A 38 4.219 19.233 8.980 1.00 10.00 N ATOM 0 H ARG A 38 2.325 22.808 6.954 1.00 10.00 H new ATOM 0 HA ARG A 38 1.730 20.101 7.140 1.00 10.00 H new ATOM 0 HB2 ARG A 38 0.424 22.699 7.594 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -0.719 21.481 7.065 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -0.719 21.381 9.439 1.00 10.00 H new ATOM 0 HG3 ARG A 38 0.159 19.964 8.899 1.00 10.00 H new ATOM 0 HD2 ARG A 38 1.468 22.529 9.892 1.00 10.00 H new ATOM 0 HD3 ARG A 38 1.189 21.107 10.879 1.00 10.00 H new ATOM 0 HE ARG A 38 3.362 21.536 9.047 1.00 10.00 H new ATOM 0 HH11 ARG A 38 1.266 18.936 10.281 1.00 10.00 H new ATOM 0 HH12 ARG A 38 2.465 17.680 9.953 1.00 10.00 H new ATOM 0 HH21 ARG A 38 4.848 19.942 8.603 1.00 10.00 H new ATOM 0 HH22 ARG A 38 4.505 18.254 8.997 1.00 10.00 H new ATOM 622 N ARG A 39 0.426 21.456 4.413 1.00 10.00 N ATOM 623 CA ARG A 39 -0.179 21.108 3.131 1.00 10.00 C ATOM 624 C ARG A 39 0.774 20.208 2.343 1.00 10.00 C ATOM 625 O ARG A 39 0.373 19.174 1.810 1.00 10.00 O ATOM 626 CB ARG A 39 -0.552 22.373 2.344 1.00 10.00 C ATOM 627 CG ARG A 39 -1.560 23.233 3.118 1.00 10.00 C ATOM 628 CD ARG A 39 -1.881 24.523 2.359 1.00 10.00 C ATOM 629 NE ARG A 39 -2.815 25.353 3.131 1.00 10.00 N ATOM 630 CZ ARG A 39 -3.218 26.583 2.784 1.00 10.00 C ATOM 631 NH1 ARG A 39 -2.796 27.137 1.642 1.00 10.00 N ATOM 632 NH2 ARG A 39 -4.047 27.254 3.590 1.00 10.00 N ATOM 0 H ARG A 39 0.572 22.456 4.552 1.00 10.00 H new ATOM 0 HA ARG A 39 -1.103 20.557 3.305 1.00 10.00 H new ATOM 0 HB2 ARG A 39 0.346 22.956 2.141 1.00 10.00 H new ATOM 0 HB3 ARG A 39 -0.975 22.092 1.379 1.00 10.00 H new ATOM 0 HG2 ARG A 39 -2.476 22.666 3.282 1.00 10.00 H new ATOM 0 HG3 ARG A 39 -1.156 23.476 4.101 1.00 10.00 H new ATOM 0 HD2 ARG A 39 -0.963 25.079 2.169 1.00 10.00 H new ATOM 0 HD3 ARG A 39 -2.315 24.283 1.388 1.00 10.00 H new ATOM 0 HE ARG A 39 -3.185 24.963 3.998 1.00 10.00 H new ATOM 0 HH11 ARG A 39 -2.163 26.623 1.029 1.00 10.00 H new ATOM 0 HH12 ARG A 39 -3.107 28.074 1.384 1.00 10.00 H new ATOM 0 HH21 ARG A 39 -4.367 26.829 4.460 1.00 10.00 H new ATOM 0 HH22 ARG A 39 -4.359 28.191 3.335 1.00 10.00 H new ATOM 646 N MET A 40 2.055 20.576 2.309 1.00 10.00 N ATOM 647 CA MET A 40 3.071 19.748 1.687 1.00 10.00 C ATOM 648 C MET A 40 3.131 18.372 2.356 1.00 10.00 C ATOM 649 O MET A 40 3.177 17.365 1.662 1.00 10.00 O ATOM 650 CB MET A 40 4.420 20.470 1.702 1.00 10.00 C ATOM 651 CG MET A 40 5.523 19.631 1.052 1.00 10.00 C ATOM 652 SD MET A 40 5.216 18.933 -0.589 1.00 10.00 S ATOM 653 CE MET A 40 5.012 20.442 -1.547 1.00 10.00 C ATOM 0 H MET A 40 2.408 21.446 2.708 1.00 10.00 H new ATOM 0 HA MET A 40 2.808 19.576 0.643 1.00 10.00 H new ATOM 0 HB2 MET A 40 4.329 21.420 1.176 1.00 10.00 H new ATOM 0 HB3 MET A 40 4.697 20.700 2.731 1.00 10.00 H new ATOM 0 HG2 MET A 40 6.418 20.250 0.988 1.00 10.00 H new ATOM 0 HG3 MET A 40 5.754 18.806 1.726 1.00 10.00 H new ATOM 0 HE1 MET A 40 4.727 20.189 -2.568 1.00 10.00 H new ATOM 0 HE2 MET A 40 4.234 21.057 -1.095 1.00 10.00 H new ATOM 0 HE3 MET A 40 5.951 20.995 -1.559 1.00 10.00 H new ATOM 663 N GLU A 41 3.100 18.295 3.687 1.00 10.00 N ATOM 664 CA GLU A 41 3.065 17.020 4.393 1.00 10.00 C ATOM 665 C GLU A 41 1.849 16.196 3.953 1.00 10.00 C ATOM 666 O GLU A 41 1.945 14.988 3.747 1.00 10.00 O ATOM 667 CB GLU A 41 3.116 17.247 5.911 1.00 10.00 C ATOM 668 CG GLU A 41 3.291 15.923 6.669 1.00 10.00 C ATOM 669 CD GLU A 41 3.519 16.166 8.156 1.00 10.00 C ATOM 670 OE1 GLU A 41 4.670 16.502 8.510 1.00 10.00 O ATOM 671 OE2 GLU A 41 2.534 16.056 8.919 1.00 10.00 O ATOM 0 H GLU A 41 3.099 19.110 4.300 1.00 10.00 H new ATOM 0 HA GLU A 41 3.949 16.438 4.132 1.00 10.00 H new ATOM 0 HB2 GLU A 41 3.940 17.918 6.153 1.00 10.00 H new ATOM 0 HB3 GLU A 41 2.199 17.737 6.238 1.00 10.00 H new ATOM 0 HG2 GLU A 41 2.406 15.302 6.531 1.00 10.00 H new ATOM 0 HG3 GLU A 41 4.135 15.372 6.254 1.00 10.00 H new ATOM 678 N ASN A 42 0.704 16.850 3.764 1.00 10.00 N ATOM 679 CA ASN A 42 -0.485 16.200 3.223 1.00 10.00 C ATOM 680 C ASN A 42 -0.219 15.662 1.817 1.00 10.00 C ATOM 681 O ASN A 42 -0.681 14.575 1.470 1.00 10.00 O ATOM 682 CB ASN A 42 -1.669 17.170 3.185 1.00 10.00 C ATOM 683 CG ASN A 42 -3.016 16.451 3.273 1.00 10.00 C ATOM 684 OD1 ASN A 42 -3.909 16.903 3.980 1.00 10.00 O ATOM 685 ND2 ASN A 42 -3.194 15.331 2.574 1.00 10.00 N ATOM 0 H ASN A 42 0.576 17.839 3.980 1.00 10.00 H new ATOM 0 HA ASN A 42 -0.732 15.367 3.881 1.00 10.00 H new ATOM 0 HB2 ASN A 42 -1.583 17.876 4.011 1.00 10.00 H new ATOM 0 HB3 ASN A 42 -1.630 17.751 2.263 1.00 10.00 H new ATOM 0 HD21 ASN A 42 -4.084 14.836 2.622 1.00 10.00 H new ATOM 0 HD22 ASN A 42 -2.440 14.969 1.990 1.00 10.00 H new ATOM 692 N LEU A 43 0.484 16.438 0.994 1.00 10.00 N ATOM 693 CA LEU A 43 0.827 16.041 -0.367 1.00 10.00 C ATOM 694 C LEU A 43 1.786 14.846 -0.347 1.00 10.00 C ATOM 695 O LEU A 43 1.609 13.890 -1.097 1.00 10.00 O ATOM 696 CB LEU A 43 1.396 17.239 -1.143 1.00 10.00 C ATOM 697 CG LEU A 43 1.706 16.922 -2.615 1.00 10.00 C ATOM 698 CD1 LEU A 43 0.463 16.472 -3.388 1.00 10.00 C ATOM 699 CD2 LEU A 43 2.270 18.172 -3.295 1.00 10.00 C ATOM 0 H LEU A 43 0.832 17.361 1.254 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.074 15.719 -0.889 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.683 18.063 -1.099 1.00 10.00 H new ATOM 0 HB3 LEU A 43 2.308 17.580 -0.653 1.00 10.00 H new ATOM 0 HG LEU A 43 2.428 16.106 -2.624 1.00 10.00 H new ATOM 0 HD11 LEU A 43 0.735 16.260 -4.422 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.055 15.572 -2.928 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -0.286 17.263 -3.364 1.00 10.00 H new ATOM 0 HD21 LEU A 43 2.491 17.950 -4.339 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.537 18.977 -3.242 1.00 10.00 H new ATOM 0 HD23 LEU A 43 3.185 18.480 -2.788 1.00 10.00 H new ATOM 711 N VAL A 44 2.784 14.877 0.538 1.00 10.00 N ATOM 712 CA VAL A 44 3.669 13.755 0.809 1.00 10.00 C ATOM 713 C VAL A 44 2.827 12.534 1.189 1.00 10.00 C ATOM 714 O VAL A 44 3.011 11.465 0.617 1.00 10.00 O ATOM 715 CB VAL A 44 4.681 14.139 1.903 1.00 10.00 C ATOM 716 CG1 VAL A 44 5.439 12.921 2.450 1.00 10.00 C ATOM 717 CG2 VAL A 44 5.707 15.154 1.382 1.00 10.00 C ATOM 0 H VAL A 44 3.000 15.703 1.096 1.00 10.00 H new ATOM 0 HA VAL A 44 4.245 13.498 -0.080 1.00 10.00 H new ATOM 0 HB VAL A 44 4.095 14.582 2.709 1.00 10.00 H new ATOM 0 HG11 VAL A 44 6.141 13.244 3.219 1.00 10.00 H new ATOM 0 HG12 VAL A 44 4.730 12.214 2.880 1.00 10.00 H new ATOM 0 HG13 VAL A 44 5.986 12.439 1.640 1.00 10.00 H new ATOM 0 HG21 VAL A 44 6.408 15.405 2.179 1.00 10.00 H new ATOM 0 HG22 VAL A 44 6.252 14.722 0.542 1.00 10.00 H new ATOM 0 HG23 VAL A 44 5.192 16.057 1.055 1.00 10.00 H new ATOM 727 N ALA A 45 1.893 12.683 2.133 1.00 10.00 N ATOM 728 CA ALA A 45 1.009 11.599 2.539 1.00 10.00 C ATOM 729 C ALA A 45 0.233 11.044 1.341 1.00 10.00 C ATOM 730 O ALA A 45 0.202 9.832 1.134 1.00 10.00 O ATOM 731 CB ALA A 45 0.075 12.064 3.660 1.00 10.00 C ATOM 0 H ALA A 45 1.733 13.558 2.633 1.00 10.00 H new ATOM 0 HA ALA A 45 1.616 10.783 2.931 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -0.579 11.243 3.952 1.00 10.00 H new ATOM 0 HB2 ALA A 45 0.667 12.380 4.519 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -0.528 12.901 3.307 1.00 10.00 H new ATOM 737 N TYR A 46 -0.371 11.918 0.528 1.00 10.00 N ATOM 738 CA TYR A 46 -1.031 11.508 -0.706 1.00 10.00 C ATOM 739 C TYR A 46 -0.075 10.705 -1.594 1.00 10.00 C ATOM 740 O TYR A 46 -0.429 9.636 -2.084 1.00 10.00 O ATOM 741 CB TYR A 46 -1.582 12.729 -1.458 1.00 10.00 C ATOM 742 CG TYR A 46 -2.049 12.394 -2.863 1.00 10.00 C ATOM 743 CD1 TYR A 46 -3.253 11.689 -3.046 1.00 10.00 C ATOM 744 CD2 TYR A 46 -1.169 12.564 -3.950 1.00 10.00 C ATOM 745 CE1 TYR A 46 -3.584 11.177 -4.312 1.00 10.00 C ATOM 746 CE2 TYR A 46 -1.491 12.031 -5.209 1.00 10.00 C ATOM 747 CZ TYR A 46 -2.703 11.345 -5.392 1.00 10.00 C ATOM 748 OH TYR A 46 -3.027 10.845 -6.617 1.00 10.00 O ATOM 0 H TYR A 46 -0.413 12.921 0.709 1.00 10.00 H new ATOM 0 HA TYR A 46 -1.870 10.863 -0.445 1.00 10.00 H new ATOM 0 HB2 TYR A 46 -2.414 13.152 -0.895 1.00 10.00 H new ATOM 0 HB3 TYR A 46 -0.810 13.497 -1.510 1.00 10.00 H new ATOM 0 HD1 TYR A 46 -3.924 11.541 -2.212 1.00 10.00 H new ATOM 0 HD2 TYR A 46 -0.244 13.106 -3.815 1.00 10.00 H new ATOM 0 HE1 TYR A 46 -4.518 10.653 -4.454 1.00 10.00 H new ATOM 0 HE2 TYR A 46 -0.807 12.149 -6.036 1.00 10.00 H new ATOM 0 HH TYR A 46 -2.310 11.048 -7.253 1.00 10.00 H new ATOM 758 N ALA A 47 1.131 11.223 -1.823 1.00 10.00 N ATOM 759 CA ALA A 47 2.118 10.570 -2.668 1.00 10.00 C ATOM 760 C ALA A 47 2.488 9.190 -2.112 1.00 10.00 C ATOM 761 O ALA A 47 2.545 8.217 -2.863 1.00 10.00 O ATOM 762 CB ALA A 47 3.335 11.481 -2.828 1.00 10.00 C ATOM 0 H ALA A 47 1.447 12.108 -1.426 1.00 10.00 H new ATOM 0 HA ALA A 47 1.695 10.399 -3.658 1.00 10.00 H new ATOM 0 HB1 ALA A 47 4.075 10.992 -3.461 1.00 10.00 H new ATOM 0 HB2 ALA A 47 3.028 12.421 -3.288 1.00 10.00 H new ATOM 0 HB3 ALA A 47 3.771 11.681 -1.849 1.00 10.00 H new ATOM 768 N LYS A 48 2.711 9.085 -0.799 1.00 10.00 N ATOM 769 CA LYS A 48 2.923 7.806 -0.136 1.00 10.00 C ATOM 770 C LYS A 48 1.744 6.869 -0.414 1.00 10.00 C ATOM 771 O LYS A 48 1.943 5.732 -0.840 1.00 10.00 O ATOM 772 CB LYS A 48 3.132 7.998 1.373 1.00 10.00 C ATOM 773 CG LYS A 48 4.509 8.596 1.681 1.00 10.00 C ATOM 774 CD LYS A 48 4.712 8.738 3.194 1.00 10.00 C ATOM 775 CE LYS A 48 6.154 9.156 3.499 1.00 10.00 C ATOM 776 NZ LYS A 48 6.375 9.306 4.948 1.00 10.00 N ATOM 0 H LYS A 48 2.749 9.887 -0.170 1.00 10.00 H new ATOM 0 HA LYS A 48 3.828 7.351 -0.538 1.00 10.00 H new ATOM 0 HB2 LYS A 48 2.354 8.652 1.768 1.00 10.00 H new ATOM 0 HB3 LYS A 48 3.030 7.038 1.880 1.00 10.00 H new ATOM 0 HG2 LYS A 48 5.289 7.960 1.263 1.00 10.00 H new ATOM 0 HG3 LYS A 48 4.603 9.571 1.203 1.00 10.00 H new ATOM 0 HD2 LYS A 48 4.019 9.479 3.593 1.00 10.00 H new ATOM 0 HD3 LYS A 48 4.488 7.793 3.688 1.00 10.00 H new ATOM 0 HE2 LYS A 48 6.843 8.411 3.100 1.00 10.00 H new ATOM 0 HE3 LYS A 48 6.376 10.097 2.996 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 7.360 9.590 5.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 5.734 10.034 5.323 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 6.187 8.400 5.423 1.00 10.00 H new ATOM 790 N LYS A 49 0.518 7.348 -0.186 1.00 10.00 N ATOM 791 CA LYS A 49 -0.692 6.577 -0.414 1.00 10.00 C ATOM 792 C LYS A 49 -0.720 6.039 -1.842 1.00 10.00 C ATOM 793 O LYS A 49 -0.869 4.838 -2.050 1.00 10.00 O ATOM 794 CB LYS A 49 -1.924 7.438 -0.115 1.00 10.00 C ATOM 795 CG LYS A 49 -3.192 6.587 0.002 1.00 10.00 C ATOM 796 CD LYS A 49 -4.396 7.469 0.353 1.00 10.00 C ATOM 797 CE LYS A 49 -5.707 6.672 0.339 1.00 10.00 C ATOM 798 NZ LYS A 49 -5.719 5.605 1.355 1.00 10.00 N ATOM 0 H LYS A 49 0.343 8.290 0.165 1.00 10.00 H new ATOM 0 HA LYS A 49 -0.704 5.721 0.261 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -1.768 7.988 0.813 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.053 8.177 -0.906 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -3.376 6.066 -0.938 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -3.056 5.824 0.768 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -4.249 7.910 1.339 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -4.463 8.293 -0.358 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -6.544 7.348 0.515 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -5.853 6.233 -0.648 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -6.648 5.137 1.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.980 4.907 1.135 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -5.538 6.017 2.293 1.00 10.00 H new ATOM 812 N VAL A 50 -0.592 6.928 -2.829 1.00 10.00 N ATOM 813 CA VAL A 50 -0.650 6.547 -4.228 1.00 10.00 C ATOM 814 C VAL A 50 0.480 5.569 -4.579 1.00 10.00 C ATOM 815 O VAL A 50 0.216 4.557 -5.224 1.00 10.00 O ATOM 816 CB VAL A 50 -0.780 7.786 -5.141 1.00 10.00 C ATOM 817 CG1 VAL A 50 0.523 8.291 -5.753 1.00 10.00 C ATOM 818 CG2 VAL A 50 -1.736 7.488 -6.294 1.00 10.00 C ATOM 0 H VAL A 50 -0.446 7.926 -2.675 1.00 10.00 H new ATOM 0 HA VAL A 50 -1.563 5.983 -4.418 1.00 10.00 H new ATOM 0 HB VAL A 50 -1.147 8.569 -4.477 1.00 10.00 H new ATOM 0 HG11 VAL A 50 0.319 9.162 -6.375 1.00 10.00 H new ATOM 0 HG12 VAL A 50 1.216 8.567 -4.958 1.00 10.00 H new ATOM 0 HG13 VAL A 50 0.967 7.505 -6.364 1.00 10.00 H new ATOM 0 HG21 VAL A 50 -1.821 8.367 -6.932 1.00 10.00 H new ATOM 0 HG22 VAL A 50 -1.352 6.652 -6.878 1.00 10.00 H new ATOM 0 HG23 VAL A 50 -2.718 7.232 -5.896 1.00 10.00 H new ATOM 828 N GLU A 51 1.719 5.807 -4.125 1.00 10.00 N ATOM 829 CA GLU A 51 2.793 4.833 -4.269 1.00 10.00 C ATOM 830 C GLU A 51 2.370 3.472 -3.703 1.00 10.00 C ATOM 831 O GLU A 51 2.539 2.452 -4.367 1.00 10.00 O ATOM 832 CB GLU A 51 4.082 5.387 -3.647 1.00 10.00 C ATOM 833 CG GLU A 51 5.278 4.430 -3.789 1.00 10.00 C ATOM 834 CD GLU A 51 5.380 3.438 -2.633 1.00 10.00 C ATOM 835 OE1 GLU A 51 5.526 3.911 -1.485 1.00 10.00 O ATOM 836 OE2 GLU A 51 5.333 2.222 -2.921 1.00 10.00 O ATOM 0 H GLU A 51 1.995 6.669 -3.655 1.00 10.00 H new ATOM 0 HA GLU A 51 3.002 4.661 -5.325 1.00 10.00 H new ATOM 0 HB2 GLU A 51 4.327 6.338 -4.119 1.00 10.00 H new ATOM 0 HB3 GLU A 51 3.910 5.591 -2.590 1.00 10.00 H new ATOM 0 HG2 GLU A 51 5.189 3.881 -4.727 1.00 10.00 H new ATOM 0 HG3 GLU A 51 6.198 5.011 -3.846 1.00 10.00 H new ATOM 843 N GLY A 52 1.790 3.455 -2.502 1.00 10.00 N ATOM 844 CA GLY A 52 1.217 2.253 -1.912 1.00 10.00 C ATOM 845 C GLY A 52 0.206 1.595 -2.854 1.00 10.00 C ATOM 846 O GLY A 52 0.311 0.407 -3.151 1.00 10.00 O ATOM 0 H GLY A 52 1.706 4.282 -1.911 1.00 10.00 H new ATOM 0 HA2 GLY A 52 2.013 1.546 -1.679 1.00 10.00 H new ATOM 0 HA3 GLY A 52 0.729 2.505 -0.971 1.00 10.00 H new ATOM 850 N ASP A 53 -0.773 2.365 -3.338 1.00 10.00 N ATOM 851 CA ASP A 53 -1.785 1.882 -4.271 1.00 10.00 C ATOM 852 C ASP A 53 -1.125 1.196 -5.467 1.00 10.00 C ATOM 853 O ASP A 53 -1.483 0.072 -5.822 1.00 10.00 O ATOM 854 CB ASP A 53 -2.689 3.033 -4.725 1.00 10.00 C ATOM 855 CG ASP A 53 -3.825 2.521 -5.602 1.00 10.00 C ATOM 856 OD1 ASP A 53 -4.831 2.066 -5.017 1.00 10.00 O ATOM 857 OD2 ASP A 53 -3.667 2.599 -6.839 1.00 10.00 O ATOM 0 H ASP A 53 -0.883 3.348 -3.089 1.00 10.00 H new ATOM 0 HA ASP A 53 -2.407 1.146 -3.761 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -3.099 3.544 -3.854 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -2.101 3.766 -5.277 1.00 10.00 H new ATOM 862 N MET A 54 -0.143 1.865 -6.074 1.00 10.00 N ATOM 863 CA MET A 54 0.605 1.306 -7.185 1.00 10.00 C ATOM 864 C MET A 54 1.316 0.018 -6.782 1.00 10.00 C ATOM 865 O MET A 54 1.235 -0.965 -7.511 1.00 10.00 O ATOM 866 CB MET A 54 1.595 2.332 -7.741 1.00 10.00 C ATOM 867 CG MET A 54 0.884 3.536 -8.368 1.00 10.00 C ATOM 868 SD MET A 54 -0.523 3.206 -9.456 1.00 10.00 S ATOM 869 CE MET A 54 -0.836 4.898 -9.949 1.00 10.00 C ATOM 0 H MET A 54 0.150 2.805 -5.806 1.00 10.00 H new ATOM 0 HA MET A 54 -0.103 1.056 -7.975 1.00 10.00 H new ATOM 0 HB2 MET A 54 2.250 2.675 -6.940 1.00 10.00 H new ATOM 0 HB3 MET A 54 2.229 1.856 -8.489 1.00 10.00 H new ATOM 0 HG2 MET A 54 0.539 4.181 -7.560 1.00 10.00 H new ATOM 0 HG3 MET A 54 1.622 4.103 -8.936 1.00 10.00 H new ATOM 0 HE1 MET A 54 -1.017 4.936 -11.023 1.00 10.00 H new ATOM 0 HE2 MET A 54 -1.711 5.275 -9.420 1.00 10.00 H new ATOM 0 HE3 MET A 54 0.029 5.514 -9.705 1.00 10.00 H new ATOM 879 N TYR A 55 1.998 0.009 -5.635 1.00 10.00 N ATOM 880 CA TYR A 55 2.679 -1.173 -5.125 1.00 10.00 C ATOM 881 C TYR A 55 1.709 -2.355 -5.058 1.00 10.00 C ATOM 882 O TYR A 55 1.993 -3.430 -5.580 1.00 10.00 O ATOM 883 CB TYR A 55 3.297 -0.865 -3.754 1.00 10.00 C ATOM 884 CG TYR A 55 4.291 -1.900 -3.270 1.00 10.00 C ATOM 885 CD1 TYR A 55 3.845 -3.108 -2.699 1.00 10.00 C ATOM 886 CD2 TYR A 55 5.670 -1.636 -3.351 1.00 10.00 C ATOM 887 CE1 TYR A 55 4.773 -4.029 -2.188 1.00 10.00 C ATOM 888 CE2 TYR A 55 6.596 -2.587 -2.901 1.00 10.00 C ATOM 889 CZ TYR A 55 6.147 -3.752 -2.265 1.00 10.00 C ATOM 890 OH TYR A 55 7.026 -4.476 -1.522 1.00 10.00 O ATOM 0 H TYR A 55 2.091 0.828 -5.034 1.00 10.00 H new ATOM 0 HA TYR A 55 3.486 -1.450 -5.803 1.00 10.00 H new ATOM 0 HB2 TYR A 55 3.794 0.104 -3.802 1.00 10.00 H new ATOM 0 HB3 TYR A 55 2.496 -0.776 -3.020 1.00 10.00 H new ATOM 0 HD1 TYR A 55 2.788 -3.326 -2.654 1.00 10.00 H new ATOM 0 HD2 TYR A 55 6.016 -0.699 -3.761 1.00 10.00 H new ATOM 0 HE1 TYR A 55 4.431 -4.949 -1.737 1.00 10.00 H new ATOM 0 HE2 TYR A 55 7.654 -2.422 -3.044 1.00 10.00 H new ATOM 0 HH TYR A 55 6.538 -5.142 -0.994 1.00 10.00 H new ATOM 900 N GLU A 56 0.553 -2.146 -4.425 1.00 10.00 N ATOM 901 CA GLU A 56 -0.476 -3.161 -4.293 1.00 10.00 C ATOM 902 C GLU A 56 -0.998 -3.599 -5.667 1.00 10.00 C ATOM 903 O GLU A 56 -1.178 -4.790 -5.910 1.00 10.00 O ATOM 904 CB GLU A 56 -1.593 -2.623 -3.393 1.00 10.00 C ATOM 905 CG GLU A 56 -1.115 -2.354 -1.958 1.00 10.00 C ATOM 906 CD GLU A 56 -0.719 -3.631 -1.222 1.00 10.00 C ATOM 907 OE1 GLU A 56 -1.649 -4.357 -0.809 1.00 10.00 O ATOM 908 OE2 GLU A 56 0.503 -3.858 -1.088 1.00 10.00 O ATOM 0 H GLU A 56 0.309 -1.257 -3.988 1.00 10.00 H new ATOM 0 HA GLU A 56 -0.056 -4.053 -3.828 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -1.987 -1.701 -3.820 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -2.414 -3.340 -3.371 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -0.263 -1.675 -1.984 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -1.907 -1.850 -1.404 1.00 10.00 H new ATOM 915 N SER A 57 -1.242 -2.649 -6.571 1.00 10.00 N ATOM 916 CA SER A 57 -1.741 -2.945 -7.910 1.00 10.00 C ATOM 917 C SER A 57 -0.730 -3.747 -8.740 1.00 10.00 C ATOM 918 O SER A 57 -1.094 -4.649 -9.492 1.00 10.00 O ATOM 919 CB SER A 57 -2.084 -1.632 -8.627 1.00 10.00 C ATOM 920 OG SER A 57 -3.043 -0.904 -7.887 1.00 10.00 O ATOM 0 H SER A 57 -1.099 -1.655 -6.394 1.00 10.00 H new ATOM 0 HA SER A 57 -2.634 -3.561 -7.806 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.182 -1.033 -8.754 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.469 -1.844 -9.624 1.00 10.00 H new ATOM 0 HG SER A 57 -2.613 -0.497 -7.106 1.00 10.00 H new ATOM 926 N ALA A 58 0.547 -3.381 -8.646 1.00 10.00 N ATOM 927 CA ALA A 58 1.600 -3.870 -9.514 1.00 10.00 C ATOM 928 C ALA A 58 2.085 -5.268 -9.131 1.00 10.00 C ATOM 929 O ALA A 58 2.957 -5.423 -8.277 1.00 10.00 O ATOM 930 CB ALA A 58 2.757 -2.877 -9.467 1.00 10.00 C ATOM 0 H ALA A 58 0.879 -2.719 -7.944 1.00 10.00 H new ATOM 0 HA ALA A 58 1.199 -3.955 -10.524 1.00 10.00 H new ATOM 0 HB1 ALA A 58 3.562 -3.225 -10.114 1.00 10.00 H new ATOM 0 HB2 ALA A 58 2.413 -1.901 -9.809 1.00 10.00 H new ATOM 0 HB3 ALA A 58 3.124 -2.794 -8.444 1.00 10.00 H new ATOM 936 N ASN A 59 1.621 -6.311 -9.820 1.00 10.00 N ATOM 937 CA ASN A 59 2.184 -7.652 -9.656 1.00 10.00 C ATOM 938 C ASN A 59 3.500 -7.797 -10.447 1.00 10.00 C ATOM 939 O ASN A 59 3.688 -8.774 -11.169 1.00 10.00 O ATOM 940 CB ASN A 59 1.128 -8.705 -10.035 1.00 10.00 C ATOM 941 CG ASN A 59 1.398 -10.059 -9.378 1.00 10.00 C ATOM 942 OD1 ASN A 59 0.655 -10.484 -8.500 1.00 10.00 O ATOM 943 ND2 ASN A 59 2.458 -10.751 -9.779 1.00 10.00 N ATOM 0 H ASN A 59 0.859 -6.254 -10.495 1.00 10.00 H new ATOM 0 HA ASN A 59 2.445 -7.817 -8.611 1.00 10.00 H new ATOM 0 HB2 ASN A 59 0.141 -8.350 -9.738 1.00 10.00 H new ATOM 0 HB3 ASN A 59 1.111 -8.826 -11.118 1.00 10.00 H new ATOM 0 HD21 ASN A 59 2.667 -11.655 -9.355 1.00 10.00 H new ATOM 0 HD22 ASN A 59 3.063 -10.379 -10.511 1.00 10.00 H new ATOM 950 N SER A 60 4.416 -6.827 -10.319 1.00 10.00 N ATOM 951 CA SER A 60 5.753 -6.803 -10.915 1.00 10.00 C ATOM 952 C SER A 60 6.388 -5.440 -10.645 1.00 10.00 C ATOM 953 O SER A 60 5.703 -4.419 -10.664 1.00 10.00 O ATOM 954 CB SER A 60 5.721 -7.075 -12.428 1.00 10.00 C ATOM 955 OG SER A 60 6.950 -6.716 -13.041 1.00 10.00 O ATOM 0 H SER A 60 4.230 -5.992 -9.764 1.00 10.00 H new ATOM 0 HA SER A 60 6.343 -7.598 -10.460 1.00 10.00 H new ATOM 0 HB2 SER A 60 5.518 -8.131 -12.606 1.00 10.00 H new ATOM 0 HB3 SER A 60 4.906 -6.512 -12.884 1.00 10.00 H new ATOM 0 HG SER A 60 6.964 -7.045 -13.964 1.00 10.00 H new ATOM 961 N ARG A 61 7.708 -5.418 -10.451 1.00 10.00 N ATOM 962 CA ARG A 61 8.478 -4.185 -10.375 1.00 10.00 C ATOM 963 C ARG A 61 8.380 -3.410 -11.688 1.00 10.00 C ATOM 964 O ARG A 61 8.291 -2.186 -11.696 1.00 10.00 O ATOM 965 CB ARG A 61 9.937 -4.510 -10.058 1.00 10.00 C ATOM 966 CG ARG A 61 10.791 -3.239 -10.025 1.00 10.00 C ATOM 967 CD ARG A 61 12.140 -3.559 -9.399 1.00 10.00 C ATOM 968 NE ARG A 61 12.930 -2.338 -9.223 1.00 10.00 N ATOM 969 CZ ARG A 61 13.942 -2.176 -8.364 1.00 10.00 C ATOM 970 NH1 ARG A 61 14.318 -3.169 -7.550 1.00 10.00 N ATOM 971 NH2 ARG A 61 14.562 -0.994 -8.327 1.00 10.00 N ATOM 0 H ARG A 61 8.271 -6.261 -10.342 1.00 10.00 H new ATOM 0 HA ARG A 61 8.070 -3.561 -9.580 1.00 10.00 H new ATOM 0 HB2 ARG A 61 9.999 -5.018 -9.096 1.00 10.00 H new ATOM 0 HB3 ARG A 61 10.331 -5.197 -10.807 1.00 10.00 H new ATOM 0 HG2 ARG A 61 10.928 -2.852 -11.035 1.00 10.00 H new ATOM 0 HG3 ARG A 61 10.286 -2.462 -9.452 1.00 10.00 H new ATOM 0 HD2 ARG A 61 11.993 -4.046 -8.435 1.00 10.00 H new ATOM 0 HD3 ARG A 61 12.683 -4.262 -10.031 1.00 10.00 H new ATOM 0 HE ARG A 61 12.686 -1.539 -9.809 1.00 10.00 H new ATOM 0 HH11 ARG A 61 13.831 -4.065 -7.579 1.00 10.00 H new ATOM 0 HH12 ARG A 61 15.092 -3.030 -6.900 1.00 10.00 H new ATOM 0 HH21 ARG A 61 14.261 -0.241 -8.945 1.00 10.00 H new ATOM 0 HH22 ARG A 61 15.337 -0.845 -7.681 1.00 10.00 H new ATOM 985 N ASP A 62 8.418 -4.128 -12.811 1.00 10.00 N ATOM 986 CA ASP A 62 8.300 -3.500 -14.120 1.00 10.00 C ATOM 987 C ASP A 62 6.949 -2.790 -14.234 1.00 10.00 C ATOM 988 O ASP A 62 6.875 -1.645 -14.678 1.00 10.00 O ATOM 989 CB ASP A 62 8.496 -4.535 -15.229 1.00 10.00 C ATOM 990 CG ASP A 62 8.472 -3.869 -16.600 1.00 10.00 C ATOM 991 OD1 ASP A 62 9.510 -3.272 -16.957 1.00 10.00 O ATOM 992 OD2 ASP A 62 7.417 -3.971 -17.262 1.00 10.00 O ATOM 0 H ASP A 62 8.529 -5.142 -12.837 1.00 10.00 H new ATOM 0 HA ASP A 62 9.084 -2.751 -14.235 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.445 -5.052 -15.087 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.711 -5.289 -15.172 1.00 10.00 H new ATOM 997 N GLU A 63 5.882 -3.461 -13.786 1.00 10.00 N ATOM 998 CA GLU A 63 4.560 -2.856 -13.730 1.00 10.00 C ATOM 999 C GLU A 63 4.593 -1.635 -12.806 1.00 10.00 C ATOM 1000 O GLU A 63 4.151 -0.561 -13.197 1.00 10.00 O ATOM 1001 CB GLU A 63 3.511 -3.899 -13.308 1.00 10.00 C ATOM 1002 CG GLU A 63 2.077 -3.348 -13.327 1.00 10.00 C ATOM 1003 CD GLU A 63 1.643 -2.899 -14.720 1.00 10.00 C ATOM 1004 OE1 GLU A 63 1.390 -3.800 -15.548 1.00 10.00 O ATOM 1005 OE2 GLU A 63 1.582 -1.670 -14.936 1.00 10.00 O ATOM 0 H GLU A 63 5.916 -4.426 -13.457 1.00 10.00 H new ATOM 0 HA GLU A 63 4.267 -2.506 -14.720 1.00 10.00 H new ATOM 0 HB2 GLU A 63 3.573 -4.759 -13.975 1.00 10.00 H new ATOM 0 HB3 GLU A 63 3.744 -4.256 -12.305 1.00 10.00 H new ATOM 0 HG2 GLU A 63 1.392 -4.115 -12.966 1.00 10.00 H new ATOM 0 HG3 GLU A 63 2.005 -2.506 -12.638 1.00 10.00 H new ATOM 1012 N TYR A 64 5.128 -1.791 -11.592 1.00 10.00 N ATOM 1013 CA TYR A 64 5.259 -0.714 -10.615 1.00 10.00 C ATOM 1014 C TYR A 64 5.913 0.521 -11.242 1.00 10.00 C ATOM 1015 O TYR A 64 5.379 1.626 -11.148 1.00 10.00 O ATOM 1016 CB TYR A 64 6.031 -1.238 -9.402 1.00 10.00 C ATOM 1017 CG TYR A 64 6.339 -0.235 -8.311 1.00 10.00 C ATOM 1018 CD1 TYR A 64 5.305 0.254 -7.491 1.00 10.00 C ATOM 1019 CD2 TYR A 64 7.681 0.001 -7.957 1.00 10.00 C ATOM 1020 CE1 TYR A 64 5.614 0.922 -6.292 1.00 10.00 C ATOM 1021 CE2 TYR A 64 7.988 0.665 -6.760 1.00 10.00 C ATOM 1022 CZ TYR A 64 6.957 1.103 -5.916 1.00 10.00 C ATOM 1023 OH TYR A 64 7.273 1.654 -4.712 1.00 10.00 O ATOM 0 H TYR A 64 5.487 -2.685 -11.258 1.00 10.00 H new ATOM 0 HA TYR A 64 4.273 -0.393 -10.280 1.00 10.00 H new ATOM 0 HB2 TYR A 64 5.460 -2.056 -8.962 1.00 10.00 H new ATOM 0 HB3 TYR A 64 6.973 -1.659 -9.753 1.00 10.00 H new ATOM 0 HD1 TYR A 64 4.274 0.116 -7.782 1.00 10.00 H new ATOM 0 HD2 TYR A 64 8.476 -0.330 -8.609 1.00 10.00 H new ATOM 0 HE1 TYR A 64 4.821 1.295 -5.661 1.00 10.00 H new ATOM 0 HE2 TYR A 64 9.019 0.839 -6.488 1.00 10.00 H new ATOM 0 HH TYR A 64 6.471 1.694 -4.150 1.00 10.00 H new ATOM 1033 N TYR A 65 7.046 0.338 -11.922 1.00 10.00 N ATOM 1034 CA TYR A 65 7.651 1.411 -12.693 1.00 10.00 C ATOM 1035 C TYR A 65 6.666 1.964 -13.721 1.00 10.00 C ATOM 1036 O TYR A 65 6.437 3.170 -13.751 1.00 10.00 O ATOM 1037 CB TYR A 65 8.945 0.938 -13.369 1.00 10.00 C ATOM 1038 CG TYR A 65 10.171 0.960 -12.478 1.00 10.00 C ATOM 1039 CD1 TYR A 65 10.550 2.161 -11.851 1.00 10.00 C ATOM 1040 CD2 TYR A 65 11.017 -0.160 -12.397 1.00 10.00 C ATOM 1041 CE1 TYR A 65 11.700 2.213 -11.049 1.00 10.00 C ATOM 1042 CE2 TYR A 65 12.189 -0.098 -11.623 1.00 10.00 C ATOM 1043 CZ TYR A 65 12.494 1.063 -10.893 1.00 10.00 C ATOM 1044 OH TYR A 65 13.509 1.050 -9.979 1.00 10.00 O ATOM 0 H TYR A 65 7.558 -0.544 -11.951 1.00 10.00 H new ATOM 0 HA TYR A 65 7.908 2.217 -12.006 1.00 10.00 H new ATOM 0 HB2 TYR A 65 8.797 -0.078 -13.735 1.00 10.00 H new ATOM 0 HB3 TYR A 65 9.134 1.566 -14.240 1.00 10.00 H new ATOM 0 HD1 TYR A 65 9.951 3.049 -11.988 1.00 10.00 H new ATOM 0 HD2 TYR A 65 10.767 -1.066 -12.928 1.00 10.00 H new ATOM 0 HE1 TYR A 65 11.974 3.133 -10.553 1.00 10.00 H new ATOM 0 HE2 TYR A 65 12.857 -0.946 -11.589 1.00 10.00 H new ATOM 0 HH TYR A 65 13.283 1.642 -9.231 1.00 10.00 H new ATOM 1054 N HIS A 66 6.097 1.105 -14.569 1.00 10.00 N ATOM 1055 CA HIS A 66 5.209 1.539 -15.639 1.00 10.00 C ATOM 1056 C HIS A 66 4.046 2.393 -15.126 1.00 10.00 C ATOM 1057 O HIS A 66 3.904 3.543 -15.537 1.00 10.00 O ATOM 1058 CB HIS A 66 4.712 0.345 -16.456 1.00 10.00 C ATOM 1059 CG HIS A 66 3.845 0.783 -17.606 1.00 10.00 C ATOM 1060 ND1 HIS A 66 4.257 1.632 -18.632 1.00 10.00 N ATOM 1061 CD2 HIS A 66 2.512 0.518 -17.743 1.00 10.00 C ATOM 1062 CE1 HIS A 66 3.164 1.850 -19.377 1.00 10.00 C ATOM 1063 NE2 HIS A 66 2.104 1.194 -18.870 1.00 10.00 N ATOM 0 H HIS A 66 6.240 0.096 -14.531 1.00 10.00 H new ATOM 0 HA HIS A 66 5.794 2.180 -16.298 1.00 10.00 H new ATOM 0 HB2 HIS A 66 5.565 -0.217 -16.836 1.00 10.00 H new ATOM 0 HB3 HIS A 66 4.148 -0.329 -15.811 1.00 10.00 H new ATOM 0 HD2 HIS A 66 1.902 -0.097 -17.098 1.00 10.00 H new ATOM 0 HE1 HIS A 66 3.138 2.467 -20.263 1.00 10.00 H new ATOM 0 HE2 HIS A 66 1.160 1.197 -19.255 1.00 10.00 H new ATOM 1071 N LEU A 67 3.194 1.858 -14.243 1.00 10.00 N ATOM 1072 CA LEU A 67 2.026 2.611 -13.798 1.00 10.00 C ATOM 1073 C LEU A 67 2.398 3.853 -12.973 1.00 10.00 C ATOM 1074 O LEU A 67 1.704 4.864 -13.074 1.00 10.00 O ATOM 1075 CB LEU A 67 0.874 1.745 -13.240 1.00 10.00 C ATOM 1076 CG LEU A 67 1.222 0.587 -12.296 1.00 10.00 C ATOM 1077 CD1 LEU A 67 2.036 1.080 -11.108 1.00 10.00 C ATOM 1078 CD2 LEU A 67 -0.045 -0.116 -11.793 1.00 10.00 C ATOM 0 H LEU A 67 3.291 0.929 -13.833 1.00 10.00 H new ATOM 0 HA LEU A 67 1.573 3.020 -14.701 1.00 10.00 H new ATOM 0 HB2 LEU A 67 0.186 2.407 -12.714 1.00 10.00 H new ATOM 0 HB3 LEU A 67 0.330 1.330 -14.088 1.00 10.00 H new ATOM 0 HG LEU A 67 1.819 -0.127 -12.864 1.00 10.00 H new ATOM 0 HD11 LEU A 67 2.270 0.240 -10.454 1.00 10.00 H new ATOM 0 HD12 LEU A 67 2.962 1.532 -11.464 1.00 10.00 H new ATOM 0 HD13 LEU A 67 1.460 1.821 -10.555 1.00 10.00 H new ATOM 0 HD21 LEU A 67 0.232 -0.932 -11.126 1.00 10.00 H new ATOM 0 HD22 LEU A 67 -0.667 0.598 -11.254 1.00 10.00 H new ATOM 0 HD23 LEU A 67 -0.602 -0.514 -12.642 1.00 10.00 H new ATOM 1090 N LEU A 68 3.508 3.846 -12.223 1.00 10.00 N ATOM 1091 CA LEU A 68 3.976 5.078 -11.583 1.00 10.00 C ATOM 1092 C LEU A 68 4.424 6.099 -12.633 1.00 10.00 C ATOM 1093 O LEU A 68 4.054 7.268 -12.554 1.00 10.00 O ATOM 1094 CB LEU A 68 5.112 4.819 -10.579 1.00 10.00 C ATOM 1095 CG LEU A 68 4.611 4.276 -9.232 1.00 10.00 C ATOM 1096 CD1 LEU A 68 5.784 3.751 -8.398 1.00 10.00 C ATOM 1097 CD2 LEU A 68 3.939 5.372 -8.394 1.00 10.00 C ATOM 0 H LEU A 68 4.084 3.023 -12.048 1.00 10.00 H new ATOM 0 HA LEU A 68 3.132 5.484 -11.026 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.817 4.109 -11.011 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.658 5.747 -10.410 1.00 10.00 H new ATOM 0 HG LEU A 68 3.898 3.485 -9.465 1.00 10.00 H new ATOM 0 HD11 LEU A 68 5.412 3.370 -7.447 1.00 10.00 H new ATOM 0 HD12 LEU A 68 6.285 2.949 -8.940 1.00 10.00 H new ATOM 0 HD13 LEU A 68 6.490 4.560 -8.213 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.598 4.950 -7.449 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.655 6.170 -8.197 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.086 5.776 -8.940 1.00 10.00 H new ATOM 1109 N ALA A 69 5.220 5.677 -13.618 1.00 10.00 N ATOM 1110 CA ALA A 69 5.662 6.548 -14.697 1.00 10.00 C ATOM 1111 C ALA A 69 4.450 7.146 -15.416 1.00 10.00 C ATOM 1112 O ALA A 69 4.398 8.350 -15.647 1.00 10.00 O ATOM 1113 CB ALA A 69 6.563 5.774 -15.665 1.00 10.00 C ATOM 0 H ALA A 69 5.573 4.722 -13.686 1.00 10.00 H new ATOM 0 HA ALA A 69 6.246 7.369 -14.282 1.00 10.00 H new ATOM 0 HB1 ALA A 69 6.888 6.436 -16.468 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.435 5.399 -15.129 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.008 4.936 -16.087 1.00 10.00 H new ATOM 1119 N GLU A 70 3.455 6.314 -15.736 1.00 10.00 N ATOM 1120 CA GLU A 70 2.204 6.753 -16.331 1.00 10.00 C ATOM 1121 C GLU A 70 1.514 7.780 -15.429 1.00 10.00 C ATOM 1122 O GLU A 70 1.110 8.839 -15.899 1.00 10.00 O ATOM 1123 CB GLU A 70 1.316 5.530 -16.590 1.00 10.00 C ATOM 1124 CG GLU A 70 0.010 5.875 -17.318 1.00 10.00 C ATOM 1125 CD GLU A 70 0.257 6.462 -18.704 1.00 10.00 C ATOM 1126 OE1 GLU A 70 0.672 5.677 -19.584 1.00 10.00 O ATOM 1127 OE2 GLU A 70 0.030 7.682 -18.855 1.00 10.00 O ATOM 0 H GLU A 70 3.503 5.306 -15.585 1.00 10.00 H new ATOM 0 HA GLU A 70 2.398 7.246 -17.284 1.00 10.00 H new ATOM 0 HB2 GLU A 70 1.873 4.803 -17.181 1.00 10.00 H new ATOM 0 HB3 GLU A 70 1.079 5.053 -15.639 1.00 10.00 H new ATOM 0 HG2 GLU A 70 -0.600 4.977 -17.410 1.00 10.00 H new ATOM 0 HG3 GLU A 70 -0.559 6.587 -16.720 1.00 10.00 H new ATOM 1134 N LYS A 71 1.373 7.479 -14.134 1.00 10.00 N ATOM 1135 CA LYS A 71 0.789 8.404 -13.173 1.00 10.00 C ATOM 1136 C LYS A 71 1.515 9.753 -13.243 1.00 10.00 C ATOM 1137 O LYS A 71 0.873 10.784 -13.418 1.00 10.00 O ATOM 1138 CB LYS A 71 0.786 7.748 -11.784 1.00 10.00 C ATOM 1139 CG LYS A 71 0.136 8.523 -10.628 1.00 10.00 C ATOM 1140 CD LYS A 71 -1.253 9.057 -10.981 1.00 10.00 C ATOM 1141 CE LYS A 71 -2.012 9.475 -9.719 1.00 10.00 C ATOM 1142 NZ LYS A 71 -3.305 10.102 -10.046 1.00 10.00 N ATOM 0 H LYS A 71 1.661 6.588 -13.729 1.00 10.00 H new ATOM 0 HA LYS A 71 -0.252 8.622 -13.410 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.280 6.786 -11.869 1.00 10.00 H new ATOM 0 HB3 LYS A 71 1.820 7.541 -11.509 1.00 10.00 H new ATOM 0 HG2 LYS A 71 0.060 7.872 -9.757 1.00 10.00 H new ATOM 0 HG3 LYS A 71 0.780 9.356 -10.347 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.160 9.910 -11.654 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.817 8.291 -11.513 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -2.180 8.602 -9.089 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.404 10.172 -9.142 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -3.792 10.372 -9.168 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -3.143 10.949 -10.627 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.894 9.427 -10.575 1.00 10.00 H new ATOM 1156 N ILE A 72 2.848 9.751 -13.172 1.00 10.00 N ATOM 1157 CA ILE A 72 3.655 10.955 -13.343 1.00 10.00 C ATOM 1158 C ILE A 72 3.353 11.654 -14.671 1.00 10.00 C ATOM 1159 O ILE A 72 3.200 12.872 -14.697 1.00 10.00 O ATOM 1160 CB ILE A 72 5.150 10.623 -13.184 1.00 10.00 C ATOM 1161 CG1 ILE A 72 5.435 10.356 -11.702 1.00 10.00 C ATOM 1162 CG2 ILE A 72 6.043 11.742 -13.737 1.00 10.00 C ATOM 1163 CD1 ILE A 72 6.917 10.119 -11.436 1.00 10.00 C ATOM 0 H ILE A 72 3.397 8.910 -12.994 1.00 10.00 H new ATOM 0 HA ILE A 72 3.387 11.663 -12.559 1.00 10.00 H new ATOM 0 HB ILE A 72 5.385 9.732 -13.766 1.00 10.00 H new ATOM 0 HG12 ILE A 72 5.092 11.204 -11.109 1.00 10.00 H new ATOM 0 HG13 ILE A 72 4.865 9.487 -11.375 1.00 10.00 H new ATOM 0 HG21 ILE A 72 7.090 11.470 -13.606 1.00 10.00 H new ATOM 0 HG22 ILE A 72 5.835 11.883 -14.798 1.00 10.00 H new ATOM 0 HG23 ILE A 72 5.839 12.669 -13.201 1.00 10.00 H new ATOM 0 HD11 ILE A 72 7.071 9.934 -10.373 1.00 10.00 H new ATOM 0 HD12 ILE A 72 7.256 9.255 -12.007 1.00 10.00 H new ATOM 0 HD13 ILE A 72 7.486 10.999 -11.737 1.00 10.00 H new ATOM 1175 N TYR A 73 3.301 10.905 -15.772 1.00 10.00 N ATOM 1176 CA TYR A 73 3.020 11.435 -17.099 1.00 10.00 C ATOM 1177 C TYR A 73 1.700 12.213 -17.058 1.00 10.00 C ATOM 1178 O TYR A 73 1.665 13.412 -17.344 1.00 10.00 O ATOM 1179 CB TYR A 73 3.044 10.269 -18.101 1.00 10.00 C ATOM 1180 CG TYR A 73 3.198 10.563 -19.580 1.00 10.00 C ATOM 1181 CD1 TYR A 73 2.696 11.745 -20.153 1.00 10.00 C ATOM 1182 CD2 TYR A 73 3.698 9.549 -20.420 1.00 10.00 C ATOM 1183 CE1 TYR A 73 2.520 11.839 -21.541 1.00 10.00 C ATOM 1184 CE2 TYR A 73 3.547 9.652 -21.812 1.00 10.00 C ATOM 1185 CZ TYR A 73 2.889 10.762 -22.366 1.00 10.00 C ATOM 1186 OH TYR A 73 2.674 10.825 -23.710 1.00 10.00 O ATOM 0 H TYR A 73 3.456 9.897 -15.763 1.00 10.00 H new ATOM 0 HA TYR A 73 3.776 12.147 -17.431 1.00 10.00 H new ATOM 0 HB2 TYR A 73 3.860 9.606 -17.812 1.00 10.00 H new ATOM 0 HB3 TYR A 73 2.118 9.709 -17.973 1.00 10.00 H new ATOM 0 HD1 TYR A 73 2.445 12.584 -19.521 1.00 10.00 H new ATOM 0 HD2 TYR A 73 4.198 8.692 -19.993 1.00 10.00 H new ATOM 0 HE1 TYR A 73 2.102 12.736 -21.975 1.00 10.00 H new ATOM 0 HE2 TYR A 73 3.937 8.878 -22.456 1.00 10.00 H new ATOM 0 HH TYR A 73 2.988 9.998 -24.131 1.00 10.00 H new ATOM 1196 N LYS A 74 0.624 11.537 -16.651 1.00 10.00 N ATOM 1197 CA LYS A 74 -0.684 12.159 -16.502 1.00 10.00 C ATOM 1198 C LYS A 74 -0.609 13.396 -15.610 1.00 10.00 C ATOM 1199 O LYS A 74 -1.068 14.458 -16.025 1.00 10.00 O ATOM 1200 CB LYS A 74 -1.707 11.169 -15.936 1.00 10.00 C ATOM 1201 CG LYS A 74 -1.990 10.020 -16.914 1.00 10.00 C ATOM 1202 CD LYS A 74 -3.202 9.192 -16.468 1.00 10.00 C ATOM 1203 CE LYS A 74 -4.523 9.919 -16.761 1.00 10.00 C ATOM 1204 NZ LYS A 74 -5.681 9.122 -16.318 1.00 10.00 N ATOM 0 H LYS A 74 0.639 10.544 -16.417 1.00 10.00 H new ATOM 0 HA LYS A 74 -1.010 12.466 -17.496 1.00 10.00 H new ATOM 0 HB2 LYS A 74 -1.337 10.762 -14.995 1.00 10.00 H new ATOM 0 HB3 LYS A 74 -2.636 11.694 -15.713 1.00 10.00 H new ATOM 0 HG2 LYS A 74 -2.170 10.424 -17.910 1.00 10.00 H new ATOM 0 HG3 LYS A 74 -1.113 9.376 -16.985 1.00 10.00 H new ATOM 0 HD2 LYS A 74 -3.194 8.230 -16.980 1.00 10.00 H new ATOM 0 HD3 LYS A 74 -3.129 8.985 -15.400 1.00 10.00 H new ATOM 0 HE2 LYS A 74 -4.529 10.885 -16.256 1.00 10.00 H new ATOM 0 HE3 LYS A 74 -4.602 10.117 -17.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 74 -6.559 9.638 -16.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 74 -5.687 8.210 -16.818 1.00 10.00 H new ATOM 0 HZ3 LYS A 74 -5.616 8.954 -15.294 1.00 10.00 H new ATOM 1218 N ILE A 75 -0.046 13.268 -14.401 1.00 10.00 N ATOM 1219 CA ILE A 75 0.136 14.389 -13.491 1.00 10.00 C ATOM 1220 C ILE A 75 0.749 15.555 -14.246 1.00 10.00 C ATOM 1221 O ILE A 75 0.126 16.600 -14.348 1.00 10.00 O ATOM 1222 CB ILE A 75 1.008 13.999 -12.283 1.00 10.00 C ATOM 1223 CG1 ILE A 75 0.190 13.059 -11.378 1.00 10.00 C ATOM 1224 CG2 ILE A 75 1.444 15.252 -11.498 1.00 10.00 C ATOM 1225 CD1 ILE A 75 1.041 12.347 -10.322 1.00 10.00 C ATOM 0 H ILE A 75 0.294 12.380 -14.033 1.00 10.00 H new ATOM 0 HA ILE A 75 -0.838 14.684 -13.101 1.00 10.00 H new ATOM 0 HB ILE A 75 1.910 13.494 -12.629 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.591 13.634 -10.879 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.309 12.313 -11.996 1.00 10.00 H new ATOM 0 HG21 ILE A 75 2.059 14.954 -10.649 1.00 10.00 H new ATOM 0 HG22 ILE A 75 2.020 15.908 -12.151 1.00 10.00 H new ATOM 0 HG23 ILE A 75 0.562 15.782 -11.139 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.405 11.700 -9.718 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.805 11.746 -10.815 1.00 10.00 H new ATOM 0 HD13 ILE A 75 1.519 13.087 -9.681 1.00 10.00 H new ATOM 1237 N GLN A 76 1.967 15.388 -14.755 1.00 10.00 N ATOM 1238 CA GLN A 76 2.688 16.461 -15.410 1.00 10.00 C ATOM 1239 C GLN A 76 1.848 17.092 -16.510 1.00 10.00 C ATOM 1240 O GLN A 76 1.802 18.309 -16.595 1.00 10.00 O ATOM 1241 CB GLN A 76 4.016 15.937 -15.954 1.00 10.00 C ATOM 1242 CG GLN A 76 5.085 15.931 -14.852 1.00 10.00 C ATOM 1243 CD GLN A 76 5.689 17.313 -14.605 1.00 10.00 C ATOM 1244 OE1 GLN A 76 5.216 18.322 -15.125 1.00 10.00 O ATOM 1245 NE2 GLN A 76 6.772 17.380 -13.840 1.00 10.00 N ATOM 0 H GLN A 76 2.476 14.505 -14.722 1.00 10.00 H new ATOM 0 HA GLN A 76 2.899 17.241 -14.678 1.00 10.00 H new ATOM 0 HB2 GLN A 76 3.883 14.928 -16.345 1.00 10.00 H new ATOM 0 HB3 GLN A 76 4.346 16.560 -16.785 1.00 10.00 H new ATOM 0 HG2 GLN A 76 4.644 15.562 -13.926 1.00 10.00 H new ATOM 0 HG3 GLN A 76 5.879 15.236 -15.126 1.00 10.00 H new ATOM 0 HE21 GLN A 76 7.151 16.533 -13.417 1.00 10.00 H new ATOM 0 HE22 GLN A 76 7.225 18.279 -13.676 1.00 10.00 H new ATOM 1254 N LYS A 77 1.175 16.303 -17.344 1.00 10.00 N ATOM 1255 CA LYS A 77 0.328 16.861 -18.391 1.00 10.00 C ATOM 1256 C LYS A 77 -0.831 17.681 -17.805 1.00 10.00 C ATOM 1257 O LYS A 77 -0.958 18.872 -18.101 1.00 10.00 O ATOM 1258 CB LYS A 77 -0.087 15.740 -19.353 1.00 10.00 C ATOM 1259 CG LYS A 77 0.851 15.655 -20.568 1.00 10.00 C ATOM 1260 CD LYS A 77 2.338 15.408 -20.239 1.00 10.00 C ATOM 1261 CE LYS A 77 3.234 16.639 -20.029 1.00 10.00 C ATOM 1262 NZ LYS A 77 3.187 17.582 -21.159 1.00 10.00 N ATOM 0 H LYS A 77 1.200 15.284 -17.315 1.00 10.00 H new ATOM 0 HA LYS A 77 0.884 17.587 -18.984 1.00 10.00 H new ATOM 0 HB2 LYS A 77 -0.084 14.787 -18.824 1.00 10.00 H new ATOM 0 HB3 LYS A 77 -1.108 15.912 -19.693 1.00 10.00 H new ATOM 0 HG2 LYS A 77 0.502 14.854 -21.220 1.00 10.00 H new ATOM 0 HG3 LYS A 77 0.771 16.583 -21.134 1.00 10.00 H new ATOM 0 HD2 LYS A 77 2.386 14.800 -19.336 1.00 10.00 H new ATOM 0 HD3 LYS A 77 2.767 14.814 -21.046 1.00 10.00 H new ATOM 0 HE2 LYS A 77 2.927 17.155 -19.119 1.00 10.00 H new ATOM 0 HE3 LYS A 77 4.263 16.312 -19.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 77 4.151 17.899 -21.387 1.00 10.00 H new ATOM 0 HZ2 LYS A 77 2.773 17.110 -21.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 77 2.604 18.404 -20.901 1.00 10.00 H new ATOM 1276 N GLU A 78 -1.649 17.064 -16.952 1.00 10.00 N ATOM 1277 CA GLU A 78 -2.780 17.716 -16.300 1.00 10.00 C ATOM 1278 C GLU A 78 -2.344 19.007 -15.590 1.00 10.00 C ATOM 1279 O GLU A 78 -2.965 20.057 -15.738 1.00 10.00 O ATOM 1280 CB GLU A 78 -3.439 16.742 -15.311 1.00 10.00 C ATOM 1281 CG GLU A 78 -4.192 15.583 -15.986 1.00 10.00 C ATOM 1282 CD GLU A 78 -5.374 16.061 -16.825 1.00 10.00 C ATOM 1283 OE1 GLU A 78 -6.218 16.787 -16.254 1.00 10.00 O ATOM 1284 OE2 GLU A 78 -5.418 15.684 -18.015 1.00 10.00 O ATOM 0 H GLU A 78 -1.541 16.084 -16.692 1.00 10.00 H new ATOM 0 HA GLU A 78 -3.508 17.994 -17.062 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -2.672 16.331 -14.655 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -4.134 17.295 -14.680 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -3.502 15.027 -16.621 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.549 14.893 -15.222 1.00 10.00 H new ATOM 1490 N GLU B 89 6.917 15.298 -27.403 1.00 10.00 N ATOM 1491 CA GLU B 89 7.694 14.081 -27.647 1.00 10.00 C ATOM 1492 C GLU B 89 8.894 13.871 -26.714 1.00 10.00 C ATOM 1493 O GLU B 89 8.862 12.993 -25.856 1.00 10.00 O ATOM 1494 CB GLU B 89 8.079 13.982 -29.138 1.00 10.00 C ATOM 1495 CG GLU B 89 7.941 15.288 -29.943 1.00 10.00 C ATOM 1496 CD GLU B 89 8.825 16.426 -29.441 1.00 10.00 C ATOM 1497 OE1 GLU B 89 10.031 16.165 -29.245 1.00 10.00 O ATOM 1498 OE2 GLU B 89 8.272 17.526 -29.224 1.00 10.00 O ATOM 0 HA GLU B 89 7.034 13.251 -27.395 1.00 10.00 H new ATOM 0 HB2 GLU B 89 9.111 13.639 -29.207 1.00 10.00 H new ATOM 0 HB3 GLU B 89 7.458 13.219 -29.607 1.00 10.00 H new ATOM 0 HG2 GLU B 89 8.184 15.087 -30.986 1.00 10.00 H new ATOM 0 HG3 GLU B 89 6.900 15.611 -29.915 1.00 10.00 H new ATOM 1505 N LYS B 90 9.950 14.665 -26.883 1.00 10.00 N ATOM 1506 CA LYS B 90 11.165 14.579 -26.085 1.00 10.00 C ATOM 1507 C LYS B 90 10.875 14.669 -24.583 1.00 10.00 C ATOM 1508 O LYS B 90 11.304 13.814 -23.814 1.00 10.00 O ATOM 1509 CB LYS B 90 12.182 15.624 -26.571 1.00 10.00 C ATOM 1510 CG LYS B 90 11.707 17.082 -26.448 1.00 10.00 C ATOM 1511 CD LYS B 90 12.640 18.004 -27.241 1.00 10.00 C ATOM 1512 CE LYS B 90 12.194 19.463 -27.102 1.00 10.00 C ATOM 1513 NZ LYS B 90 13.062 20.365 -27.880 1.00 10.00 N ATOM 0 H LYS B 90 9.983 15.398 -27.592 1.00 10.00 H new ATOM 0 HA LYS B 90 11.612 13.595 -26.228 1.00 10.00 H new ATOM 0 HB2 LYS B 90 13.104 15.507 -26.002 1.00 10.00 H new ATOM 0 HB3 LYS B 90 12.423 15.420 -27.614 1.00 10.00 H new ATOM 0 HG2 LYS B 90 10.687 17.174 -26.822 1.00 10.00 H new ATOM 0 HG3 LYS B 90 11.691 17.381 -25.400 1.00 10.00 H new ATOM 0 HD2 LYS B 90 13.663 17.894 -26.881 1.00 10.00 H new ATOM 0 HD3 LYS B 90 12.640 17.716 -28.292 1.00 10.00 H new ATOM 0 HE2 LYS B 90 11.163 19.564 -27.442 1.00 10.00 H new ATOM 0 HE3 LYS B 90 12.213 19.753 -26.051 1.00 10.00 H new ATOM 0 HZ1 LYS B 90 12.735 21.346 -27.766 1.00 10.00 H new ATOM 0 HZ2 LYS B 90 14.041 20.285 -27.538 1.00 10.00 H new ATOM 0 HZ3 LYS B 90 13.023 20.102 -28.885 1.00 10.00 H new ATOM 1527 N ARG B 91 10.118 15.684 -24.168 1.00 10.00 N ATOM 1528 CA ARG B 91 9.706 15.873 -22.784 1.00 10.00 C ATOM 1529 C ARG B 91 8.878 14.675 -22.331 1.00 10.00 C ATOM 1530 O ARG B 91 9.080 14.177 -21.225 1.00 10.00 O ATOM 1531 CB ARG B 91 8.955 17.207 -22.640 1.00 10.00 C ATOM 1532 CG ARG B 91 8.411 17.495 -21.229 1.00 10.00 C ATOM 1533 CD ARG B 91 6.936 17.093 -21.028 1.00 10.00 C ATOM 1534 NE ARG B 91 6.301 17.916 -19.986 1.00 10.00 N ATOM 1535 CZ ARG B 91 6.478 17.819 -18.661 1.00 10.00 C ATOM 1536 NH1 ARG B 91 7.360 16.955 -18.151 1.00 10.00 N ATOM 1537 NH2 ARG B 91 5.748 18.607 -17.864 1.00 10.00 N ATOM 0 H ARG B 91 9.770 16.408 -24.797 1.00 10.00 H new ATOM 0 HA ARG B 91 10.578 15.929 -22.132 1.00 10.00 H new ATOM 0 HB2 ARG B 91 9.625 18.017 -22.928 1.00 10.00 H new ATOM 0 HB3 ARG B 91 8.123 17.216 -23.344 1.00 10.00 H new ATOM 0 HG2 ARG B 91 9.023 16.964 -20.500 1.00 10.00 H new ATOM 0 HG3 ARG B 91 8.518 18.560 -21.021 1.00 10.00 H new ATOM 0 HD2 ARG B 91 6.394 17.207 -21.967 1.00 10.00 H new ATOM 0 HD3 ARG B 91 6.877 16.040 -20.751 1.00 10.00 H new ATOM 0 HE ARG B 91 5.656 18.638 -20.307 1.00 10.00 H new ATOM 0 HH11 ARG B 91 7.908 16.360 -18.772 1.00 10.00 H new ATOM 0 HH12 ARG B 91 7.485 16.891 -17.141 1.00 10.00 H new ATOM 0 HH21 ARG B 91 5.077 19.260 -18.268 1.00 10.00 H new ATOM 0 HH22 ARG B 91 5.862 18.554 -16.852 1.00 10.00 H new ATOM 1551 N ILE B 92 7.969 14.196 -23.185 1.00 10.00 N ATOM 1552 CA ILE B 92 7.167 13.022 -22.865 1.00 10.00 C ATOM 1553 C ILE B 92 8.076 11.820 -22.570 1.00 10.00 C ATOM 1554 O ILE B 92 7.964 11.197 -21.513 1.00 10.00 O ATOM 1555 CB ILE B 92 6.125 12.776 -23.980 1.00 10.00 C ATOM 1556 CG1 ILE B 92 4.797 13.465 -23.630 1.00 10.00 C ATOM 1557 CG2 ILE B 92 5.836 11.286 -24.208 1.00 10.00 C ATOM 1558 CD1 ILE B 92 4.890 14.984 -23.501 1.00 10.00 C ATOM 0 H ILE B 92 7.774 14.605 -24.099 1.00 10.00 H new ATOM 0 HA ILE B 92 6.596 13.188 -21.952 1.00 10.00 H new ATOM 0 HB ILE B 92 6.556 13.190 -24.892 1.00 10.00 H new ATOM 0 HG12 ILE B 92 4.062 13.222 -24.397 1.00 10.00 H new ATOM 0 HG13 ILE B 92 4.425 13.055 -22.691 1.00 10.00 H new ATOM 0 HG21 ILE B 92 5.097 11.176 -25.002 1.00 10.00 H new ATOM 0 HG22 ILE B 92 6.756 10.777 -24.495 1.00 10.00 H new ATOM 0 HG23 ILE B 92 5.449 10.846 -23.289 1.00 10.00 H new ATOM 0 HD11 ILE B 92 3.909 15.389 -23.253 1.00 10.00 H new ATOM 0 HD12 ILE B 92 5.598 15.240 -22.713 1.00 10.00 H new ATOM 0 HD13 ILE B 92 5.229 15.409 -24.445 1.00 10.00 H new ATOM 1570 N LYS B 93 8.979 11.491 -23.495 1.00 10.00 N ATOM 1571 CA LYS B 93 9.829 10.320 -23.362 1.00 10.00 C ATOM 1572 C LYS B 93 10.760 10.472 -22.166 1.00 10.00 C ATOM 1573 O LYS B 93 10.824 9.577 -21.328 1.00 10.00 O ATOM 1574 CB LYS B 93 10.606 10.058 -24.660 1.00 10.00 C ATOM 1575 CG LYS B 93 9.696 9.557 -25.792 1.00 10.00 C ATOM 1576 CD LYS B 93 9.613 8.023 -25.894 1.00 10.00 C ATOM 1577 CE LYS B 93 9.033 7.350 -24.643 1.00 10.00 C ATOM 1578 NZ LYS B 93 8.799 5.911 -24.852 1.00 10.00 N ATOM 0 H LYS B 93 9.137 12.027 -24.348 1.00 10.00 H new ATOM 0 HA LYS B 93 9.198 9.449 -23.182 1.00 10.00 H new ATOM 0 HB2 LYS B 93 11.103 10.976 -24.975 1.00 10.00 H new ATOM 0 HB3 LYS B 93 11.387 9.321 -24.471 1.00 10.00 H new ATOM 0 HG2 LYS B 93 8.693 9.956 -25.642 1.00 10.00 H new ATOM 0 HG3 LYS B 93 10.059 9.955 -26.740 1.00 10.00 H new ATOM 0 HD2 LYS B 93 9.000 7.758 -26.755 1.00 10.00 H new ATOM 0 HD3 LYS B 93 10.611 7.626 -26.079 1.00 10.00 H new ATOM 0 HE2 LYS B 93 9.717 7.489 -23.806 1.00 10.00 H new ATOM 0 HE3 LYS B 93 8.095 7.835 -24.372 1.00 10.00 H new ATOM 0 HZ1 LYS B 93 8.344 5.507 -24.008 1.00 10.00 H new ATOM 0 HZ2 LYS B 93 8.180 5.776 -25.677 1.00 10.00 H new ATOM 0 HZ3 LYS B 93 9.707 5.432 -25.019 1.00 10.00 H new ATOM 1592 N GLU B 94 11.460 11.604 -22.065 1.00 10.00 N ATOM 1593 CA GLU B 94 12.334 11.884 -20.937 1.00 10.00 C ATOM 1594 C GLU B 94 11.569 11.741 -19.621 1.00 10.00 C ATOM 1595 O GLU B 94 12.055 11.086 -18.706 1.00 10.00 O ATOM 1596 CB GLU B 94 12.952 13.282 -21.085 1.00 10.00 C ATOM 1597 CG GLU B 94 13.966 13.346 -22.238 1.00 10.00 C ATOM 1598 CD GLU B 94 15.237 12.563 -21.926 1.00 10.00 C ATOM 1599 OE1 GLU B 94 16.008 13.053 -21.072 1.00 10.00 O ATOM 1600 OE2 GLU B 94 15.409 11.485 -22.535 1.00 10.00 O ATOM 0 H GLU B 94 11.433 12.347 -22.764 1.00 10.00 H new ATOM 0 HA GLU B 94 13.147 11.158 -20.924 1.00 10.00 H new ATOM 0 HB2 GLU B 94 12.161 14.011 -21.258 1.00 10.00 H new ATOM 0 HB3 GLU B 94 13.445 13.561 -20.153 1.00 10.00 H new ATOM 0 HG2 GLU B 94 13.509 12.949 -23.145 1.00 10.00 H new ATOM 0 HG3 GLU B 94 14.221 14.386 -22.439 1.00 10.00 H new ATOM 1607 N LEU B 95 10.369 12.320 -19.516 1.00 10.00 N ATOM 1608 CA LEU B 95 9.559 12.188 -18.313 1.00 10.00 C ATOM 1609 C LEU B 95 9.241 10.718 -18.023 1.00 10.00 C ATOM 1610 O LEU B 95 9.449 10.251 -16.904 1.00 10.00 O ATOM 1611 CB LEU B 95 8.280 13.020 -18.452 1.00 10.00 C ATOM 1612 CG LEU B 95 7.373 12.914 -17.217 1.00 10.00 C ATOM 1613 CD1 LEU B 95 8.027 13.531 -15.973 1.00 10.00 C ATOM 1614 CD2 LEU B 95 6.057 13.626 -17.508 1.00 10.00 C ATOM 0 H LEU B 95 9.942 12.883 -20.252 1.00 10.00 H new ATOM 0 HA LEU B 95 10.127 12.569 -17.464 1.00 10.00 H new ATOM 0 HB2 LEU B 95 8.546 14.064 -18.615 1.00 10.00 H new ATOM 0 HB3 LEU B 95 7.729 12.690 -19.333 1.00 10.00 H new ATOM 0 HG LEU B 95 7.200 11.858 -17.009 1.00 10.00 H new ATOM 0 HD11 LEU B 95 7.353 13.435 -15.122 1.00 10.00 H new ATOM 0 HD12 LEU B 95 8.960 13.011 -15.757 1.00 10.00 H new ATOM 0 HD13 LEU B 95 8.233 14.586 -16.156 1.00 10.00 H new ATOM 0 HD21 LEU B 95 5.405 13.557 -16.637 1.00 10.00 H new ATOM 0 HD22 LEU B 95 6.252 14.675 -17.732 1.00 10.00 H new ATOM 0 HD23 LEU B 95 5.571 13.157 -18.363 1.00 10.00 H new ATOM 1626 N GLU B 96 8.729 9.988 -19.019 1.00 10.00 N ATOM 1627 CA GLU B 96 8.398 8.577 -18.863 1.00 10.00 C ATOM 1628 C GLU B 96 9.624 7.806 -18.342 1.00 10.00 C ATOM 1629 O GLU B 96 9.546 7.074 -17.355 1.00 10.00 O ATOM 1630 CB GLU B 96 7.865 8.044 -20.201 1.00 10.00 C ATOM 1631 CG GLU B 96 7.435 6.574 -20.132 1.00 10.00 C ATOM 1632 CD GLU B 96 6.817 6.134 -21.455 1.00 10.00 C ATOM 1633 OE1 GLU B 96 5.623 6.447 -21.655 1.00 10.00 O ATOM 1634 OE2 GLU B 96 7.555 5.514 -22.252 1.00 10.00 O ATOM 0 H GLU B 96 8.535 10.360 -19.949 1.00 10.00 H new ATOM 0 HA GLU B 96 7.613 8.438 -18.120 1.00 10.00 H new ATOM 0 HB2 GLU B 96 7.016 8.651 -20.515 1.00 10.00 H new ATOM 0 HB3 GLU B 96 8.636 8.156 -20.963 1.00 10.00 H new ATOM 0 HG2 GLU B 96 8.297 5.948 -19.901 1.00 10.00 H new ATOM 0 HG3 GLU B 96 6.715 6.437 -19.325 1.00 10.00 H new ATOM 1641 N LEU B 97 10.767 8.002 -19.001 1.00 10.00 N ATOM 1642 CA LEU B 97 12.043 7.396 -18.647 1.00 10.00 C ATOM 1643 C LEU B 97 12.503 7.806 -17.243 1.00 10.00 C ATOM 1644 O LEU B 97 13.049 6.982 -16.513 1.00 10.00 O ATOM 1645 CB LEU B 97 13.095 7.783 -19.699 1.00 10.00 C ATOM 1646 CG LEU B 97 12.880 7.099 -21.062 1.00 10.00 C ATOM 1647 CD1 LEU B 97 13.771 7.774 -22.111 1.00 10.00 C ATOM 1648 CD2 LEU B 97 13.215 5.602 -21.009 1.00 10.00 C ATOM 0 H LEU B 97 10.828 8.606 -19.821 1.00 10.00 H new ATOM 0 HA LEU B 97 11.918 6.313 -18.633 1.00 10.00 H new ATOM 0 HB2 LEU B 97 13.079 8.864 -19.837 1.00 10.00 H new ATOM 0 HB3 LEU B 97 14.085 7.524 -19.324 1.00 10.00 H new ATOM 0 HG LEU B 97 11.827 7.201 -21.326 1.00 10.00 H new ATOM 0 HD11 LEU B 97 13.623 7.293 -23.078 1.00 10.00 H new ATOM 0 HD12 LEU B 97 13.509 8.829 -22.186 1.00 10.00 H new ATOM 0 HD13 LEU B 97 14.816 7.680 -21.816 1.00 10.00 H new ATOM 0 HD21 LEU B 97 13.050 5.157 -21.990 1.00 10.00 H new ATOM 0 HD22 LEU B 97 14.259 5.473 -20.723 1.00 10.00 H new ATOM 0 HD23 LEU B 97 12.574 5.112 -20.276 1.00 10.00 H new ATOM 1660 N LEU B 98 12.317 9.072 -16.860 1.00 10.00 N ATOM 1661 CA LEU B 98 12.834 9.638 -15.619 1.00 10.00 C ATOM 1662 C LEU B 98 12.451 8.790 -14.403 1.00 10.00 C ATOM 1663 O LEU B 98 13.293 8.537 -13.541 1.00 10.00 O ATOM 1664 CB LEU B 98 12.367 11.097 -15.483 1.00 10.00 C ATOM 1665 CG LEU B 98 12.810 11.807 -14.195 1.00 10.00 C ATOM 1666 CD1 LEU B 98 14.335 11.841 -14.038 1.00 10.00 C ATOM 1667 CD2 LEU B 98 12.271 13.243 -14.211 1.00 10.00 C ATOM 0 H LEU B 98 11.791 9.744 -17.419 1.00 10.00 H new ATOM 0 HA LEU B 98 13.923 9.630 -15.657 1.00 10.00 H new ATOM 0 HB2 LEU B 98 12.740 11.662 -16.337 1.00 10.00 H new ATOM 0 HB3 LEU B 98 11.279 11.120 -15.536 1.00 10.00 H new ATOM 0 HG LEU B 98 12.409 11.246 -13.351 1.00 10.00 H new ATOM 0 HD11 LEU B 98 14.594 12.354 -13.112 1.00 10.00 H new ATOM 0 HD12 LEU B 98 14.721 10.822 -14.009 1.00 10.00 H new ATOM 0 HD13 LEU B 98 14.776 12.372 -14.882 1.00 10.00 H new ATOM 0 HD21 LEU B 98 12.579 13.758 -13.301 1.00 10.00 H new ATOM 0 HD22 LEU B 98 12.668 13.771 -15.078 1.00 10.00 H new ATOM 0 HD23 LEU B 98 11.183 13.222 -14.265 1.00 10.00 H new ATOM 1679 N LEU B 99 11.195 8.340 -14.315 1.00 10.00 N ATOM 1680 CA LEU B 99 10.771 7.543 -13.168 1.00 10.00 C ATOM 1681 C LEU B 99 11.493 6.196 -13.168 1.00 10.00 C ATOM 1682 O LEU B 99 12.063 5.796 -12.154 1.00 10.00 O ATOM 1683 CB LEU B 99 9.245 7.382 -13.147 1.00 10.00 C ATOM 1684 CG LEU B 99 8.628 7.037 -11.776 1.00 10.00 C ATOM 1685 CD1 LEU B 99 8.778 5.566 -11.392 1.00 10.00 C ATOM 1686 CD2 LEU B 99 9.177 7.895 -10.630 1.00 10.00 C ATOM 0 H LEU B 99 10.470 8.511 -15.011 1.00 10.00 H new ATOM 0 HA LEU B 99 11.046 8.065 -12.252 1.00 10.00 H new ATOM 0 HB2 LEU B 99 8.795 8.308 -13.505 1.00 10.00 H new ATOM 0 HB3 LEU B 99 8.971 6.600 -13.855 1.00 10.00 H new ATOM 0 HG LEU B 99 7.570 7.259 -11.912 1.00 10.00 H new ATOM 0 HD11 LEU B 99 8.321 5.396 -10.417 1.00 10.00 H new ATOM 0 HD12 LEU B 99 8.284 4.943 -12.138 1.00 10.00 H new ATOM 0 HD13 LEU B 99 9.836 5.308 -11.347 1.00 10.00 H new ATOM 0 HD21 LEU B 99 8.701 7.600 -9.695 1.00 10.00 H new ATOM 0 HD22 LEU B 99 10.254 7.750 -10.550 1.00 10.00 H new ATOM 0 HD23 LEU B 99 8.966 8.946 -10.829 1.00 10.00 H new ATOM 1698 N MET B 100 11.508 5.512 -14.314 1.00 10.00 N ATOM 1699 CA MET B 100 12.216 4.248 -14.482 1.00 10.00 C ATOM 1700 C MET B 100 13.680 4.410 -14.057 1.00 10.00 C ATOM 1701 O MET B 100 14.225 3.601 -13.306 1.00 10.00 O ATOM 1702 CB MET B 100 12.075 3.753 -15.930 1.00 10.00 C ATOM 1703 CG MET B 100 10.601 3.671 -16.354 1.00 10.00 C ATOM 1704 SD MET B 100 10.287 2.822 -17.921 1.00 10.00 S ATOM 1705 CE MET B 100 8.483 2.927 -17.959 1.00 10.00 C ATOM 0 H MET B 100 11.025 5.825 -15.156 1.00 10.00 H new ATOM 0 HA MET B 100 11.774 3.487 -13.839 1.00 10.00 H new ATOM 0 HB2 MET B 100 12.611 4.426 -16.600 1.00 10.00 H new ATOM 0 HB3 MET B 100 12.538 2.771 -16.027 1.00 10.00 H new ATOM 0 HG2 MET B 100 10.043 3.163 -15.568 1.00 10.00 H new ATOM 0 HG3 MET B 100 10.204 4.684 -16.424 1.00 10.00 H new ATOM 0 HE1 MET B 100 8.110 2.450 -18.865 1.00 10.00 H new ATOM 0 HE2 MET B 100 8.071 2.421 -17.086 1.00 10.00 H new ATOM 0 HE3 MET B 100 8.179 3.974 -17.949 1.00 10.00 H new ATOM 1715 N SER B 101 14.292 5.516 -14.481 1.00 10.00 N ATOM 1716 CA SER B 101 15.647 5.906 -14.134 1.00 10.00 C ATOM 1717 C SER B 101 15.872 6.108 -12.628 1.00 10.00 C ATOM 1718 O SER B 101 17.017 6.332 -12.247 1.00 10.00 O ATOM 1719 CB SER B 101 16.082 7.142 -14.937 1.00 10.00 C ATOM 1720 OG SER B 101 17.453 7.419 -14.706 1.00 10.00 O ATOM 0 H SER B 101 13.835 6.186 -15.099 1.00 10.00 H new ATOM 0 HA SER B 101 16.282 5.064 -14.410 1.00 10.00 H new ATOM 0 HB2 SER B 101 15.912 6.972 -16.000 1.00 10.00 H new ATOM 0 HB3 SER B 101 15.477 8.002 -14.651 1.00 10.00 H new ATOM 0 HG SER B 101 17.663 7.265 -13.761 1.00 10.00 H new ATOM 1726 N THR B 102 14.853 6.101 -11.761 1.00 10.00 N ATOM 1727 CA THR B 102 15.081 6.293 -10.331 1.00 10.00 C ATOM 1728 C THR B 102 16.191 5.382 -9.801 1.00 10.00 C ATOM 1729 O THR B 102 17.088 5.848 -9.103 1.00 10.00 O ATOM 1730 CB THR B 102 13.791 6.111 -9.523 1.00 10.00 C ATOM 1731 OG1 THR B 102 12.867 7.104 -9.907 1.00 10.00 O ATOM 1732 CG2 THR B 102 14.095 6.266 -8.032 1.00 10.00 C ATOM 0 H THR B 102 13.876 5.966 -12.023 1.00 10.00 H new ATOM 0 HA THR B 102 15.413 7.323 -10.202 1.00 10.00 H new ATOM 0 HB THR B 102 13.378 5.120 -9.711 1.00 10.00 H new ATOM 0 HG1 THR B 102 12.429 6.838 -10.742 1.00 10.00 H new ATOM 0 HG21 THR B 102 13.177 6.136 -7.458 1.00 10.00 H new ATOM 0 HG22 THR B 102 14.822 5.513 -7.729 1.00 10.00 H new ATOM 0 HG23 THR B 102 14.503 7.260 -7.845 1.00 10.00 H new ATOM 1740 N GLU B 103 16.161 4.087 -10.127 1.00 10.00 N ATOM 1741 CA GLU B 103 17.205 3.186 -9.657 1.00 10.00 C ATOM 1742 C GLU B 103 18.585 3.629 -10.157 1.00 10.00 C ATOM 1743 O GLU B 103 19.570 3.536 -9.434 1.00 10.00 O ATOM 1744 CB GLU B 103 16.900 1.740 -10.058 1.00 10.00 C ATOM 1745 CG GLU B 103 16.592 1.533 -11.548 1.00 10.00 C ATOM 1746 CD GLU B 103 16.586 0.048 -11.897 1.00 10.00 C ATOM 1747 OE1 GLU B 103 17.698 -0.523 -11.923 1.00 10.00 O ATOM 1748 OE2 GLU B 103 15.480 -0.486 -12.124 1.00 10.00 O ATOM 0 H GLU B 103 15.440 3.650 -10.702 1.00 10.00 H new ATOM 0 HA GLU B 103 17.224 3.230 -8.568 1.00 10.00 H new ATOM 0 HB2 GLU B 103 17.752 1.116 -9.788 1.00 10.00 H new ATOM 0 HB3 GLU B 103 16.050 1.388 -9.474 1.00 10.00 H new ATOM 0 HG2 GLU B 103 15.624 1.972 -11.789 1.00 10.00 H new ATOM 0 HG3 GLU B 103 17.336 2.051 -12.153 1.00 10.00 H new ATOM 1755 N ASN B 104 18.650 4.134 -11.388 1.00 10.00 N ATOM 1756 CA ASN B 104 19.862 4.725 -11.942 1.00 10.00 C ATOM 1757 C ASN B 104 20.276 5.960 -11.130 1.00 10.00 C ATOM 1758 O ASN B 104 21.445 6.089 -10.777 1.00 10.00 O ATOM 1759 CB ASN B 104 19.686 4.991 -13.445 1.00 10.00 C ATOM 1760 CG ASN B 104 20.720 5.964 -14.001 1.00 10.00 C ATOM 1761 OD1 ASN B 104 21.917 5.771 -13.828 1.00 10.00 O ATOM 1762 ND2 ASN B 104 20.270 7.012 -14.687 1.00 10.00 N ATOM 0 H ASN B 104 17.858 4.144 -12.031 1.00 10.00 H new ATOM 0 HA ASN B 104 20.691 4.023 -11.857 1.00 10.00 H new ATOM 0 HB2 ASN B 104 19.755 4.047 -13.986 1.00 10.00 H new ATOM 0 HB3 ASN B 104 18.687 5.389 -13.624 1.00 10.00 H new ATOM 0 HD21 ASN B 104 20.928 7.681 -15.086 1.00 10.00 H new ATOM 0 HD22 ASN B 104 19.267 7.146 -14.814 1.00 10.00 H new