USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 517 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 41 THR OG1 : rot 61:sc= 1.21 USER MOD Set 1.2: A 44 GLN : amide:sc= -1.38! C(o=-0.17!,f=-7!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.122 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= 0.0271 X(o=0.027,f=-0.16) USER MOD Single : A 18 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0948) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0125 (180deg=-0.194) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 145:sc= 1.27 (180deg=0.588) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.02) USER MOD Single : A 36 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 THR OG1 : rot 120:sc= 1.22 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.7) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.203 63.830 36.245 1.00 0.00 N ATOM 2 CA GLY A 1 25.316 63.060 36.821 1.00 0.00 C ATOM 3 C GLY A 1 26.001 62.196 35.771 1.00 0.00 C ATOM 4 O GLY A 1 25.618 62.250 34.599 1.00 0.00 O ATOM 0 H1 GLY A 1 24.357 64.844 36.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.153 63.655 35.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.310 63.536 36.690 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.042 63.743 37.262 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.943 62.428 37.627 1.00 0.00 H new ATOM 10 N PRO A 2 27.025 61.414 36.163 1.00 0.00 N ATOM 11 CA PRO A 2 27.884 60.660 35.248 1.00 0.00 C ATOM 12 C PRO A 2 27.212 59.408 34.660 1.00 0.00 C ATOM 13 O PRO A 2 26.357 58.777 35.294 1.00 0.00 O ATOM 14 CB PRO A 2 29.125 60.294 36.071 1.00 0.00 C ATOM 15 CG PRO A 2 28.574 60.179 37.492 1.00 0.00 C ATOM 16 CD PRO A 2 27.513 61.279 37.532 1.00 0.00 C ATOM 0 HA PRO A 2 28.125 61.264 34.373 1.00 0.00 H new ATOM 0 HB2 PRO A 2 29.571 59.358 35.734 1.00 0.00 H new ATOM 0 HB3 PRO A 2 29.898 61.060 35.998 1.00 0.00 H new ATOM 0 HG2 PRO A 2 28.144 59.195 37.681 1.00 0.00 H new ATOM 0 HG3 PRO A 2 29.350 60.337 38.241 1.00 0.00 H new ATOM 0 HD2 PRO A 2 26.702 61.015 38.211 1.00 0.00 H new ATOM 0 HD3 PRO A 2 27.937 62.217 37.890 1.00 0.00 H new ATOM 24 N LEU A 3 27.649 59.009 33.461 1.00 0.00 N ATOM 25 CA LEU A 3 27.053 57.929 32.656 1.00 0.00 C ATOM 26 C LEU A 3 27.981 56.709 32.450 1.00 0.00 C ATOM 27 O LEU A 3 27.682 55.836 31.631 1.00 0.00 O ATOM 28 CB LEU A 3 26.560 58.514 31.315 1.00 0.00 C ATOM 29 CG LEU A 3 25.583 59.704 31.424 1.00 0.00 C ATOM 30 CD1 LEU A 3 25.203 60.182 30.022 1.00 0.00 C ATOM 31 CD2 LEU A 3 24.295 59.340 32.166 1.00 0.00 C ATOM 0 H LEU A 3 28.453 59.441 33.006 1.00 0.00 H new ATOM 0 HA LEU A 3 26.208 57.530 33.217 1.00 0.00 H new ATOM 0 HB2 LEU A 3 27.428 58.832 30.737 1.00 0.00 H new ATOM 0 HB3 LEU A 3 26.074 57.719 30.749 1.00 0.00 H new ATOM 0 HG LEU A 3 26.095 60.484 31.987 1.00 0.00 H new ATOM 0 HD11 LEU A 3 24.513 61.022 30.099 1.00 0.00 H new ATOM 0 HD12 LEU A 3 26.100 60.497 29.489 1.00 0.00 H new ATOM 0 HD13 LEU A 3 24.724 59.368 29.477 1.00 0.00 H new ATOM 0 HD21 LEU A 3 23.644 60.213 32.214 1.00 0.00 H new ATOM 0 HD22 LEU A 3 23.785 58.535 31.636 1.00 0.00 H new ATOM 0 HD23 LEU A 3 24.538 59.012 33.177 1.00 0.00 H new ATOM 43 N GLY A 4 29.111 56.632 33.161 1.00 0.00 N ATOM 44 CA GLY A 4 30.145 55.598 32.989 1.00 0.00 C ATOM 45 C GLY A 4 29.762 54.163 33.395 1.00 0.00 C ATOM 46 O GLY A 4 30.514 53.230 33.106 1.00 0.00 O ATOM 0 H GLY A 4 29.341 57.304 33.893 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.444 55.587 31.941 1.00 0.00 H new ATOM 0 HA3 GLY A 4 31.021 55.893 33.567 1.00 0.00 H new ATOM 50 N SER A 5 28.595 53.943 34.016 1.00 0.00 N ATOM 51 CA SER A 5 28.180 52.621 34.527 1.00 0.00 C ATOM 52 C SER A 5 28.221 51.499 33.474 1.00 0.00 C ATOM 53 O SER A 5 28.548 50.351 33.793 1.00 0.00 O ATOM 54 CB SER A 5 26.773 52.718 35.136 1.00 0.00 C ATOM 55 OG SER A 5 26.525 51.630 36.009 1.00 0.00 O ATOM 0 H SER A 5 27.907 54.677 34.181 1.00 0.00 H new ATOM 0 HA SER A 5 28.910 52.346 35.288 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.672 53.657 35.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.028 52.729 34.341 1.00 0.00 H new ATOM 0 HG SER A 5 25.624 51.712 36.387 1.00 0.00 H new ATOM 61 N LYS A 6 27.957 51.822 32.199 1.00 0.00 N ATOM 62 CA LYS A 6 27.945 50.869 31.074 1.00 0.00 C ATOM 63 C LYS A 6 29.322 50.313 30.645 1.00 0.00 C ATOM 64 O LYS A 6 29.372 49.493 29.730 1.00 0.00 O ATOM 65 CB LYS A 6 27.168 51.489 29.894 1.00 0.00 C ATOM 66 CG LYS A 6 28.009 52.455 29.036 1.00 0.00 C ATOM 67 CD LYS A 6 27.207 53.134 27.919 1.00 0.00 C ATOM 68 CE LYS A 6 26.515 52.133 26.980 1.00 0.00 C ATOM 69 NZ LYS A 6 25.984 52.797 25.765 1.00 0.00 N1+ ATOM 0 H LYS A 6 27.740 52.777 31.912 1.00 0.00 H new ATOM 0 HA LYS A 6 27.433 49.977 31.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.790 50.688 29.259 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.301 52.023 30.282 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.440 53.221 29.681 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.841 51.906 28.594 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.455 53.785 28.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.874 53.769 27.336 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.223 51.357 26.690 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.701 51.640 27.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.524 52.090 25.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.290 53.521 26.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.765 53.246 25.246 1.00 0.00 H new ATOM 83 N LYS A 7 30.424 50.754 31.270 1.00 0.00 N ATOM 84 CA LYS A 7 31.818 50.389 30.923 1.00 0.00 C ATOM 85 C LYS A 7 32.675 50.006 32.149 1.00 0.00 C ATOM 86 O LYS A 7 33.899 50.128 32.135 1.00 0.00 O ATOM 87 CB LYS A 7 32.424 51.504 30.033 1.00 0.00 C ATOM 88 CG LYS A 7 32.446 51.142 28.534 1.00 0.00 C ATOM 89 CD LYS A 7 33.502 50.090 28.141 1.00 0.00 C ATOM 90 CE LYS A 7 34.929 50.629 28.302 1.00 0.00 C ATOM 91 NZ LYS A 7 35.961 49.600 28.036 1.00 0.00 N1+ ATOM 0 H LYS A 7 30.374 51.398 32.060 1.00 0.00 H new ATOM 0 HA LYS A 7 31.811 49.468 30.340 1.00 0.00 H new ATOM 0 HB2 LYS A 7 31.851 52.421 30.170 1.00 0.00 H new ATOM 0 HB3 LYS A 7 33.441 51.712 30.365 1.00 0.00 H new ATOM 0 HG2 LYS A 7 31.461 50.772 28.249 1.00 0.00 H new ATOM 0 HG3 LYS A 7 32.625 52.050 27.958 1.00 0.00 H new ATOM 0 HD2 LYS A 7 33.377 49.201 28.759 1.00 0.00 H new ATOM 0 HD3 LYS A 7 33.343 49.784 27.107 1.00 0.00 H new ATOM 0 HE2 LYS A 7 35.075 51.469 27.622 1.00 0.00 H new ATOM 0 HE3 LYS A 7 35.056 51.013 29.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 36.906 50.016 28.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 35.842 48.809 28.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 35.860 49.251 27.061 1.00 0.00 H new ATOM 105 N ARG A 8 32.019 49.533 33.216 1.00 0.00 N ATOM 106 CA ARG A 8 32.597 49.202 34.534 1.00 0.00 C ATOM 107 C ARG A 8 33.762 48.187 34.518 1.00 0.00 C ATOM 108 O ARG A 8 33.842 47.325 33.641 1.00 0.00 O ATOM 109 CB ARG A 8 31.439 48.795 35.478 1.00 0.00 C ATOM 110 CG ARG A 8 30.964 47.330 35.417 1.00 0.00 C ATOM 111 CD ARG A 8 30.560 46.748 34.051 1.00 0.00 C ATOM 112 NE ARG A 8 29.216 47.155 33.600 1.00 0.00 N ATOM 113 CZ ARG A 8 28.774 47.143 32.354 1.00 0.00 C ATOM 114 NH1 ARG A 8 29.533 46.850 31.347 1.00 0.00 N1+ ATOM 115 NH2 ARG A 8 27.533 47.402 32.084 1.00 0.00 N ATOM 0 H ARG A 8 31.014 49.360 33.186 1.00 0.00 H new ATOM 0 HA ARG A 8 33.093 50.097 34.911 1.00 0.00 H new ATOM 0 HB2 ARG A 8 31.747 49.008 36.502 1.00 0.00 H new ATOM 0 HB3 ARG A 8 30.585 49.437 35.261 1.00 0.00 H new ATOM 0 HG2 ARG A 8 31.761 46.706 35.821 1.00 0.00 H new ATOM 0 HG3 ARG A 8 30.110 47.230 36.086 1.00 0.00 H new ATOM 0 HD2 ARG A 8 31.292 47.058 33.305 1.00 0.00 H new ATOM 0 HD3 ARG A 8 30.600 45.660 34.105 1.00 0.00 H new ATOM 0 HE ARG A 8 28.566 47.476 34.317 1.00 0.00 H new ATOM 0 HH11 ARG A 8 30.514 46.616 31.499 1.00 0.00 H new ATOM 0 HH12 ARG A 8 29.150 46.853 30.402 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.882 47.619 32.838 1.00 0.00 H new ATOM 0 HH22 ARG A 8 27.208 47.389 31.117 1.00 0.00 H new ATOM 129 N GLU A 9 34.640 48.240 35.521 1.00 0.00 N ATOM 130 CA GLU A 9 35.813 47.358 35.731 1.00 0.00 C ATOM 131 C GLU A 9 35.505 46.108 36.599 1.00 0.00 C ATOM 132 O GLU A 9 36.384 45.543 37.259 1.00 0.00 O ATOM 133 CB GLU A 9 36.982 48.178 36.325 1.00 0.00 C ATOM 134 CG GLU A 9 37.552 49.252 35.382 1.00 0.00 C ATOM 135 CD GLU A 9 38.543 48.729 34.326 1.00 0.00 C ATOM 136 OE1 GLU A 9 39.157 49.578 33.633 1.00 0.00 O ATOM 137 OE2 GLU A 9 38.747 47.496 34.173 1.00 0.00 O1- ATOM 0 H GLU A 9 34.555 48.939 36.259 1.00 0.00 H new ATOM 0 HA GLU A 9 36.098 46.968 34.754 1.00 0.00 H new ATOM 0 HB2 GLU A 9 36.642 48.661 37.241 1.00 0.00 H new ATOM 0 HB3 GLU A 9 37.784 47.494 36.604 1.00 0.00 H new ATOM 0 HG2 GLU A 9 36.724 49.742 34.870 1.00 0.00 H new ATOM 0 HG3 GLU A 9 38.051 50.013 35.982 1.00 0.00 H new ATOM 144 N VAL A 10 34.240 45.678 36.643 1.00 0.00 N ATOM 145 CA VAL A 10 33.721 44.637 37.552 1.00 0.00 C ATOM 146 C VAL A 10 32.625 43.799 36.878 1.00 0.00 C ATOM 147 O VAL A 10 32.001 44.240 35.909 1.00 0.00 O ATOM 148 CB VAL A 10 33.276 45.283 38.887 1.00 0.00 C ATOM 149 CG1 VAL A 10 32.111 46.270 38.732 1.00 0.00 C ATOM 150 CG2 VAL A 10 32.883 44.249 39.947 1.00 0.00 C ATOM 0 H VAL A 10 33.520 46.055 36.027 1.00 0.00 H new ATOM 0 HA VAL A 10 34.517 43.931 37.788 1.00 0.00 H new ATOM 0 HB VAL A 10 34.160 45.828 39.216 1.00 0.00 H new ATOM 0 HG11 VAL A 10 31.852 46.684 39.707 1.00 0.00 H new ATOM 0 HG12 VAL A 10 32.405 47.078 38.061 1.00 0.00 H new ATOM 0 HG13 VAL A 10 31.247 45.751 38.318 1.00 0.00 H new ATOM 0 HG21 VAL A 10 32.580 44.761 40.860 1.00 0.00 H new ATOM 0 HG22 VAL A 10 32.054 43.646 39.577 1.00 0.00 H new ATOM 0 HG23 VAL A 10 33.735 43.603 40.159 1.00 0.00 H new ATOM 160 N TRP A 11 32.394 42.573 37.355 1.00 0.00 N ATOM 161 CA TRP A 11 31.310 41.714 36.874 1.00 0.00 C ATOM 162 C TRP A 11 29.926 42.147 37.372 1.00 0.00 C ATOM 163 O TRP A 11 29.750 42.475 38.547 1.00 0.00 O ATOM 164 CB TRP A 11 31.583 40.253 37.242 1.00 0.00 C ATOM 165 CG TRP A 11 32.553 39.575 36.329 1.00 0.00 C ATOM 166 CD1 TRP A 11 33.745 39.023 36.657 1.00 0.00 C ATOM 167 CD2 TRP A 11 32.372 39.320 34.905 1.00 0.00 C ATOM 168 NE1 TRP A 11 34.294 38.433 35.539 1.00 0.00 N ATOM 169 CE2 TRP A 11 33.497 38.592 34.428 1.00 0.00 C ATOM 170 CE3 TRP A 11 31.370 39.648 33.966 1.00 0.00 C ATOM 171 CZ2 TRP A 11 33.629 38.214 33.087 1.00 0.00 C ATOM 172 CZ3 TRP A 11 31.512 39.291 32.613 1.00 0.00 C ATOM 173 CH2 TRP A 11 32.637 38.584 32.169 1.00 0.00 C ATOM 0 H TRP A 11 32.958 42.146 38.090 1.00 0.00 H new ATOM 0 HA TRP A 11 31.291 41.817 35.789 1.00 0.00 H new ATOM 0 HB2 TRP A 11 31.966 40.210 38.262 1.00 0.00 H new ATOM 0 HB3 TRP A 11 30.642 39.703 37.231 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.194 39.042 37.639 1.00 0.00 H new ATOM 0 HE1 TRP A 11 35.185 37.937 35.535 1.00 0.00 H new ATOM 0 HE3 TRP A 11 30.486 40.178 34.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 34.487 37.643 32.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 30.743 39.566 31.906 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.739 38.326 31.125 1.00 0.00 H new ATOM 184 N THR A 12 28.948 42.072 36.467 1.00 0.00 N ATOM 185 CA THR A 12 27.533 42.459 36.646 1.00 0.00 C ATOM 186 C THR A 12 26.639 41.535 35.812 1.00 0.00 C ATOM 187 O THR A 12 27.135 40.897 34.883 1.00 0.00 O ATOM 188 CB THR A 12 27.265 43.937 36.267 1.00 0.00 C ATOM 189 OG1 THR A 12 27.018 44.103 34.887 1.00 0.00 O ATOM 190 CG2 THR A 12 28.428 44.873 36.588 1.00 0.00 C ATOM 0 H THR A 12 29.127 41.718 35.527 1.00 0.00 H new ATOM 0 HA THR A 12 27.299 42.355 37.705 1.00 0.00 H new ATOM 0 HB THR A 12 26.392 44.194 36.867 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.853 45.050 34.696 1.00 0.00 H new ATOM 0 HG21 THR A 12 28.168 45.890 36.295 1.00 0.00 H new ATOM 0 HG22 THR A 12 28.633 44.845 37.658 1.00 0.00 H new ATOM 0 HG23 THR A 12 29.314 44.553 36.040 1.00 0.00 H new ATOM 198 N ASP A 13 25.329 41.459 36.068 1.00 0.00 N ATOM 199 CA ASP A 13 24.426 40.592 35.286 1.00 0.00 C ATOM 200 C ASP A 13 24.280 41.032 33.812 1.00 0.00 C ATOM 201 O ASP A 13 24.090 40.197 32.925 1.00 0.00 O ATOM 202 CB ASP A 13 23.041 40.515 35.953 1.00 0.00 C ATOM 203 CG ASP A 13 23.000 39.797 37.306 1.00 0.00 C ATOM 204 OD1 ASP A 13 23.963 39.079 37.677 1.00 0.00 O ATOM 205 OD2 ASP A 13 21.934 39.871 37.964 1.00 0.00 O1- ATOM 0 H ASP A 13 24.866 41.985 36.809 1.00 0.00 H new ATOM 0 HA ASP A 13 24.886 39.604 35.275 1.00 0.00 H new ATOM 0 HB2 ASP A 13 22.665 41.529 36.088 1.00 0.00 H new ATOM 0 HB3 ASP A 13 22.357 40.009 35.272 1.00 0.00 H new ATOM 210 N ALA A 14 24.374 42.335 33.523 1.00 0.00 N ATOM 211 CA ALA A 14 24.444 42.863 32.156 1.00 0.00 C ATOM 212 C ALA A 14 25.809 42.620 31.475 1.00 0.00 C ATOM 213 O ALA A 14 25.903 42.678 30.246 1.00 0.00 O ATOM 214 CB ALA A 14 24.123 44.361 32.195 1.00 0.00 C ATOM 0 H ALA A 14 24.404 43.060 34.240 1.00 0.00 H new ATOM 0 HA ALA A 14 23.712 42.325 31.553 1.00 0.00 H new ATOM 0 HB1 ALA A 14 24.171 44.770 31.186 1.00 0.00 H new ATOM 0 HB2 ALA A 14 23.121 44.508 32.599 1.00 0.00 H new ATOM 0 HB3 ALA A 14 24.848 44.872 32.828 1.00 0.00 H new ATOM 220 N GLU A 15 26.867 42.335 32.237 1.00 0.00 N ATOM 221 CA GLU A 15 28.177 41.974 31.693 1.00 0.00 C ATOM 222 C GLU A 15 28.284 40.450 31.505 1.00 0.00 C ATOM 223 O GLU A 15 28.811 39.982 30.495 1.00 0.00 O ATOM 224 CB GLU A 15 29.274 42.555 32.603 1.00 0.00 C ATOM 225 CG GLU A 15 30.654 42.631 31.932 1.00 0.00 C ATOM 226 CD GLU A 15 30.844 43.956 31.179 1.00 0.00 C ATOM 227 OE1 GLU A 15 31.552 44.853 31.703 1.00 0.00 O ATOM 228 OE2 GLU A 15 30.267 44.136 30.078 1.00 0.00 O1- ATOM 0 H GLU A 15 26.838 42.348 33.257 1.00 0.00 H new ATOM 0 HA GLU A 15 28.310 42.406 30.701 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.979 43.555 32.921 1.00 0.00 H new ATOM 0 HB3 GLU A 15 29.350 41.944 33.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 31.433 42.526 32.687 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.768 41.798 31.238 1.00 0.00 H new ATOM 235 N HIS A 16 27.738 39.650 32.432 1.00 0.00 N ATOM 236 CA HIS A 16 27.783 38.184 32.367 1.00 0.00 C ATOM 237 C HIS A 16 27.071 37.650 31.120 1.00 0.00 C ATOM 238 O HIS A 16 27.585 36.751 30.454 1.00 0.00 O ATOM 239 CB HIS A 16 27.301 37.546 33.693 1.00 0.00 C ATOM 240 CG HIS A 16 26.089 36.647 33.610 1.00 0.00 C ATOM 241 ND1 HIS A 16 24.771 37.100 33.628 1.00 0.00 N ATOM 242 CD2 HIS A 16 26.085 35.286 33.482 1.00 0.00 C ATOM 243 CE1 HIS A 16 24.000 36.013 33.467 1.00 0.00 C ATOM 244 NE2 HIS A 16 24.763 34.909 33.398 1.00 0.00 N ATOM 0 H HIS A 16 27.249 40.006 33.254 1.00 0.00 H new ATOM 0 HA HIS A 16 28.823 37.877 32.255 1.00 0.00 H new ATOM 0 HB2 HIS A 16 28.125 36.969 34.113 1.00 0.00 H new ATOM 0 HB3 HIS A 16 27.082 38.348 34.397 1.00 0.00 H new ATOM 0 HD1 HIS A 16 24.456 38.063 33.741 1.00 0.00 H new ATOM 0 HD2 HIS A 16 26.947 34.636 33.453 1.00 0.00 H new ATOM 0 HE1 HIS A 16 22.922 36.024 33.402 1.00 0.00 H new ATOM 252 N ALA A 17 25.972 38.301 30.725 1.00 0.00 N ATOM 253 CA ALA A 17 25.251 38.059 29.474 1.00 0.00 C ATOM 254 C ALA A 17 26.088 38.263 28.191 1.00 0.00 C ATOM 255 O ALA A 17 25.614 37.929 27.105 1.00 0.00 O ATOM 256 CB ALA A 17 24.023 38.966 29.480 1.00 0.00 C ATOM 0 H ALA A 17 25.546 39.037 31.289 1.00 0.00 H new ATOM 0 HA ALA A 17 24.979 37.004 29.441 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.456 38.816 28.561 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.396 38.723 30.338 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.340 40.007 29.545 1.00 0.00 H new ATOM 262 N LYS A 18 27.312 38.815 28.273 1.00 0.00 N ATOM 263 CA LYS A 18 28.298 38.881 27.183 1.00 0.00 C ATOM 264 C LYS A 18 29.301 37.726 27.238 1.00 0.00 C ATOM 265 O LYS A 18 29.568 37.090 26.224 1.00 0.00 O ATOM 266 CB LYS A 18 29.051 40.215 27.236 1.00 0.00 C ATOM 267 CG LYS A 18 28.194 41.487 27.192 1.00 0.00 C ATOM 268 CD LYS A 18 27.515 41.670 25.833 1.00 0.00 C ATOM 269 CE LYS A 18 27.192 43.146 25.532 1.00 0.00 C ATOM 270 NZ LYS A 18 28.420 43.936 25.248 1.00 0.00 N1+ ATOM 0 H LYS A 18 27.653 39.243 29.134 1.00 0.00 H new ATOM 0 HA LYS A 18 27.748 38.799 26.246 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.645 40.235 28.150 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.750 40.246 26.400 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.436 41.441 27.974 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.819 42.354 27.405 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.163 41.276 25.050 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.594 41.087 25.808 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.518 43.203 24.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 26.667 43.583 26.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.154 44.862 24.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.955 44.074 26.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.010 43.425 24.561 1.00 0.00 H new ATOM 284 N PHE A 19 29.834 37.412 28.421 1.00 0.00 N ATOM 285 CA PHE A 19 30.779 36.284 28.622 1.00 0.00 C ATOM 286 C PHE A 19 30.198 34.960 28.134 1.00 0.00 C ATOM 287 O PHE A 19 30.882 34.184 27.466 1.00 0.00 O ATOM 288 CB PHE A 19 31.283 36.216 30.083 1.00 0.00 C ATOM 289 CG PHE A 19 30.889 35.013 30.947 1.00 0.00 C ATOM 290 CD1 PHE A 19 31.322 33.711 30.627 1.00 0.00 C ATOM 291 CD2 PHE A 19 30.131 35.199 32.121 1.00 0.00 C ATOM 292 CE1 PHE A 19 30.906 32.611 31.391 1.00 0.00 C ATOM 293 CE2 PHE A 19 29.736 34.105 32.908 1.00 0.00 C ATOM 294 CZ PHE A 19 30.099 32.807 32.520 1.00 0.00 C ATOM 0 H PHE A 19 29.629 37.928 29.277 1.00 0.00 H new ATOM 0 HA PHE A 19 31.655 36.477 28.002 1.00 0.00 H new ATOM 0 HB2 PHE A 19 32.372 36.262 30.058 1.00 0.00 H new ATOM 0 HB3 PHE A 19 30.938 37.115 30.593 1.00 0.00 H new ATOM 0 HD1 PHE A 19 31.981 33.559 29.785 1.00 0.00 H new ATOM 0 HD2 PHE A 19 29.850 36.198 32.420 1.00 0.00 H new ATOM 0 HE1 PHE A 19 31.207 31.613 31.109 1.00 0.00 H new ATOM 0 HE2 PHE A 19 29.157 34.262 33.806 1.00 0.00 H new ATOM 0 HZ PHE A 19 29.756 31.957 33.092 1.00 0.00 H new ATOM 304 N VAL A 20 28.908 34.767 28.399 1.00 0.00 N ATOM 305 CA VAL A 20 28.135 33.572 28.032 1.00 0.00 C ATOM 306 C VAL A 20 28.032 33.380 26.506 1.00 0.00 C ATOM 307 O VAL A 20 27.803 32.263 26.042 1.00 0.00 O ATOM 308 CB VAL A 20 26.769 33.645 28.754 1.00 0.00 C ATOM 309 CG1 VAL A 20 25.717 32.658 28.245 1.00 0.00 C ATOM 310 CG2 VAL A 20 26.952 33.371 30.255 1.00 0.00 C ATOM 0 H VAL A 20 28.347 35.461 28.893 1.00 0.00 H new ATOM 0 HA VAL A 20 28.653 32.673 28.366 1.00 0.00 H new ATOM 0 HB VAL A 20 26.405 34.652 28.549 1.00 0.00 H new ATOM 0 HG11 VAL A 20 24.795 32.785 28.812 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.523 32.846 27.189 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.083 31.639 28.371 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.985 33.425 30.755 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.378 32.377 30.394 1.00 0.00 H new ATOM 0 HG23 VAL A 20 27.623 34.116 30.682 1.00 0.00 H new ATOM 320 N GLU A 21 28.278 34.421 25.708 1.00 0.00 N ATOM 321 CA GLU A 21 28.231 34.376 24.244 1.00 0.00 C ATOM 322 C GLU A 21 29.547 33.898 23.655 1.00 0.00 C ATOM 323 O GLU A 21 29.542 33.003 22.815 1.00 0.00 O ATOM 324 CB GLU A 21 27.922 35.767 23.655 1.00 0.00 C ATOM 325 CG GLU A 21 26.778 36.531 24.347 1.00 0.00 C ATOM 326 CD GLU A 21 25.378 35.945 24.078 1.00 0.00 C ATOM 327 OE1 GLU A 21 25.246 34.774 23.659 1.00 0.00 O ATOM 328 OE2 GLU A 21 24.357 36.669 24.233 1.00 0.00 O1- ATOM 0 H GLU A 21 28.522 35.343 26.071 1.00 0.00 H new ATOM 0 HA GLU A 21 27.439 33.674 23.984 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.826 36.374 23.705 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.674 35.651 22.600 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.957 36.537 25.422 1.00 0.00 H new ATOM 0 HG3 GLU A 21 26.796 37.569 24.015 1.00 0.00 H new ATOM 335 N GLY A 22 30.681 34.436 24.121 1.00 0.00 N ATOM 336 CA GLY A 22 32.001 34.025 23.647 1.00 0.00 C ATOM 337 C GLY A 22 32.261 32.529 23.833 1.00 0.00 C ATOM 338 O GLY A 22 33.057 31.958 23.093 1.00 0.00 O ATOM 0 H GLY A 22 30.706 35.165 24.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.097 34.277 22.591 1.00 0.00 H new ATOM 0 HA3 GLY A 22 32.765 34.591 24.180 1.00 0.00 H new ATOM 342 N LEU A 23 31.517 31.864 24.726 1.00 0.00 N ATOM 343 CA LEU A 23 31.575 30.403 24.883 1.00 0.00 C ATOM 344 C LEU A 23 31.170 29.673 23.591 1.00 0.00 C ATOM 345 O LEU A 23 31.762 28.654 23.241 1.00 0.00 O ATOM 346 CB LEU A 23 30.696 29.928 26.061 1.00 0.00 C ATOM 347 CG LEU A 23 30.686 30.806 27.320 1.00 0.00 C ATOM 348 CD1 LEU A 23 29.912 30.123 28.440 1.00 0.00 C ATOM 349 CD2 LEU A 23 32.094 31.071 27.820 1.00 0.00 C ATOM 0 H LEU A 23 30.860 32.321 25.358 1.00 0.00 H new ATOM 0 HA LEU A 23 32.613 30.151 25.102 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.670 29.837 25.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 31.024 28.929 26.347 1.00 0.00 H new ATOM 0 HG LEU A 23 30.211 31.748 27.047 1.00 0.00 H new ATOM 0 HD11 LEU A 23 29.915 30.759 29.325 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.884 29.951 28.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 30.382 29.169 28.678 1.00 0.00 H new ATOM 0 HD21 LEU A 23 32.052 31.695 28.712 1.00 0.00 H new ATOM 0 HD22 LEU A 23 32.578 30.125 28.062 1.00 0.00 H new ATOM 0 HD23 LEU A 23 32.665 31.583 27.045 1.00 0.00 H new ATOM 361 N ALA A 24 30.195 30.214 22.864 1.00 0.00 N ATOM 362 CA ALA A 24 29.739 29.706 21.573 1.00 0.00 C ATOM 363 C ALA A 24 30.663 30.105 20.399 1.00 0.00 C ATOM 364 O ALA A 24 30.770 29.360 19.424 1.00 0.00 O ATOM 365 CB ALA A 24 28.313 30.237 21.381 1.00 0.00 C ATOM 0 H ALA A 24 29.685 31.044 23.167 1.00 0.00 H new ATOM 0 HA ALA A 24 29.762 28.616 21.573 1.00 0.00 H new ATOM 0 HB1 ALA A 24 27.920 29.887 20.427 1.00 0.00 H new ATOM 0 HB2 ALA A 24 27.678 29.875 22.190 1.00 0.00 H new ATOM 0 HB3 ALA A 24 28.326 31.327 21.390 1.00 0.00 H new ATOM 371 N LEU A 25 31.328 31.268 20.482 1.00 0.00 N ATOM 372 CA LEU A 25 32.156 31.846 19.407 1.00 0.00 C ATOM 373 C LEU A 25 33.550 31.226 19.374 1.00 0.00 C ATOM 374 O LEU A 25 34.008 30.720 18.348 1.00 0.00 O ATOM 375 CB LEU A 25 32.297 33.380 19.569 1.00 0.00 C ATOM 376 CG LEU A 25 30.993 34.131 19.838 1.00 0.00 C ATOM 377 CD1 LEU A 25 31.246 35.623 20.041 1.00 0.00 C ATOM 378 CD2 LEU A 25 29.988 33.934 18.709 1.00 0.00 C ATOM 0 H LEU A 25 31.305 31.849 21.320 1.00 0.00 H new ATOM 0 HA LEU A 25 31.645 31.624 18.470 1.00 0.00 H new ATOM 0 HB2 LEU A 25 32.988 33.580 20.388 1.00 0.00 H new ATOM 0 HB3 LEU A 25 32.750 33.784 18.664 1.00 0.00 H new ATOM 0 HG LEU A 25 30.573 33.714 20.754 1.00 0.00 H new ATOM 0 HD11 LEU A 25 30.300 36.130 20.230 1.00 0.00 H new ATOM 0 HD12 LEU A 25 31.911 35.767 20.892 1.00 0.00 H new ATOM 0 HD13 LEU A 25 31.708 36.039 19.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 29.074 34.483 18.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.412 34.305 17.776 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.759 32.873 18.607 1.00 0.00 H new ATOM 390 N PHE A 26 34.249 31.325 20.503 1.00 0.00 N ATOM 391 CA PHE A 26 35.657 30.935 20.635 1.00 0.00 C ATOM 392 C PHE A 26 35.853 29.473 21.058 1.00 0.00 C ATOM 393 O PHE A 26 36.922 28.908 20.809 1.00 0.00 O ATOM 394 CB PHE A 26 36.339 31.858 21.648 1.00 0.00 C ATOM 395 CG PHE A 26 35.989 33.332 21.518 1.00 0.00 C ATOM 396 CD1 PHE A 26 36.335 34.070 20.369 1.00 0.00 C ATOM 397 CD2 PHE A 26 35.316 33.967 22.573 1.00 0.00 C ATOM 398 CE1 PHE A 26 36.046 35.447 20.312 1.00 0.00 C ATOM 399 CE2 PHE A 26 34.970 35.327 22.488 1.00 0.00 C ATOM 400 CZ PHE A 26 35.347 36.066 21.364 1.00 0.00 C ATOM 0 H PHE A 26 33.848 31.685 21.369 1.00 0.00 H new ATOM 0 HA PHE A 26 36.108 31.033 19.647 1.00 0.00 H new ATOM 0 HB2 PHE A 26 36.077 31.526 22.652 1.00 0.00 H new ATOM 0 HB3 PHE A 26 37.419 31.747 21.547 1.00 0.00 H new ATOM 0 HD1 PHE A 26 36.819 33.582 19.536 1.00 0.00 H new ATOM 0 HD2 PHE A 26 35.061 33.405 23.459 1.00 0.00 H new ATOM 0 HE1 PHE A 26 36.362 36.029 19.459 1.00 0.00 H new ATOM 0 HE2 PHE A 26 34.416 35.798 23.287 1.00 0.00 H new ATOM 0 HZ PHE A 26 35.101 37.116 21.303 1.00 0.00 H new ATOM 410 N HIS A 27 34.821 28.898 21.699 1.00 0.00 N ATOM 411 CA HIS A 27 34.784 27.537 22.264 1.00 0.00 C ATOM 412 C HIS A 27 35.962 27.238 23.211 1.00 0.00 C ATOM 413 O HIS A 27 37.018 26.742 22.813 1.00 0.00 O ATOM 414 CB HIS A 27 34.552 26.508 21.145 1.00 0.00 C ATOM 415 CG HIS A 27 34.290 25.107 21.637 1.00 0.00 C ATOM 416 ND1 HIS A 27 35.251 24.231 22.137 1.00 0.00 N ATOM 417 CD2 HIS A 27 33.090 24.460 21.606 1.00 0.00 C ATOM 418 CE1 HIS A 27 34.621 23.078 22.390 1.00 0.00 C ATOM 419 NE2 HIS A 27 33.320 23.185 22.072 1.00 0.00 N ATOM 0 H HIS A 27 33.943 29.396 21.845 1.00 0.00 H new ATOM 0 HA HIS A 27 33.926 27.456 22.931 1.00 0.00 H new ATOM 0 HB2 HIS A 27 33.706 26.832 20.539 1.00 0.00 H new ATOM 0 HB3 HIS A 27 35.425 26.494 20.493 1.00 0.00 H new ATOM 0 HD2 HIS A 27 32.145 24.868 21.280 1.00 0.00 H new ATOM 0 HE1 HIS A 27 35.090 22.191 22.791 1.00 0.00 H new ATOM 0 HE2 HIS A 27 32.621 22.447 22.161 1.00 0.00 H new ATOM 427 N LYS A 28 35.753 27.555 24.498 1.00 0.00 N ATOM 428 CA LYS A 28 36.622 27.214 25.633 1.00 0.00 C ATOM 429 C LYS A 28 38.040 27.747 25.403 1.00 0.00 C ATOM 430 O LYS A 28 39.002 27.009 25.187 1.00 0.00 O ATOM 431 CB LYS A 28 36.465 25.707 25.916 1.00 0.00 C ATOM 432 CG LYS A 28 37.322 25.130 27.042 1.00 0.00 C ATOM 433 CD LYS A 28 37.279 25.891 28.375 1.00 0.00 C ATOM 434 CE LYS A 28 38.162 25.246 29.452 1.00 0.00 C ATOM 435 NZ LYS A 28 39.578 25.194 29.031 1.00 0.00 N1+ ATOM 0 H LYS A 28 34.931 28.083 24.789 1.00 0.00 H new ATOM 0 HA LYS A 28 36.331 27.712 26.558 1.00 0.00 H new ATOM 0 HB2 LYS A 28 35.418 25.511 26.150 1.00 0.00 H new ATOM 0 HB3 LYS A 28 36.694 25.163 25.000 1.00 0.00 H new ATOM 0 HG2 LYS A 28 37.007 24.102 27.222 1.00 0.00 H new ATOM 0 HG3 LYS A 28 38.357 25.091 26.701 1.00 0.00 H new ATOM 0 HD2 LYS A 28 37.603 26.919 28.213 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.250 25.934 28.732 1.00 0.00 H new ATOM 0 HE2 LYS A 28 38.078 25.812 30.380 1.00 0.00 H new ATOM 0 HE3 LYS A 28 37.806 24.237 29.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 40.174 24.945 29.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 39.693 24.477 28.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 39.865 26.123 28.663 1.00 0.00 H new ATOM 449 N ASP A 29 38.120 29.079 25.392 1.00 0.00 N ATOM 450 CA ASP A 29 39.315 29.868 25.087 1.00 0.00 C ATOM 451 C ASP A 29 39.150 31.307 25.620 1.00 0.00 C ATOM 452 O ASP A 29 38.676 32.223 24.936 1.00 0.00 O ATOM 453 CB ASP A 29 39.550 29.856 23.569 1.00 0.00 C ATOM 454 CG ASP A 29 40.914 30.415 23.158 1.00 0.00 C ATOM 455 OD1 ASP A 29 41.770 30.688 24.026 1.00 0.00 O ATOM 456 OD2 ASP A 29 41.149 30.541 21.932 1.00 0.00 O1- ATOM 0 H ASP A 29 37.313 29.665 25.606 1.00 0.00 H new ATOM 0 HA ASP A 29 40.185 29.432 25.578 1.00 0.00 H new ATOM 0 HB2 ASP A 29 39.460 28.833 23.204 1.00 0.00 H new ATOM 0 HB3 ASP A 29 38.766 30.438 23.083 1.00 0.00 H new ATOM 461 N TRP A 30 39.451 31.515 26.903 1.00 0.00 N ATOM 462 CA TRP A 30 39.209 32.776 27.603 1.00 0.00 C ATOM 463 C TRP A 30 40.047 33.931 27.031 1.00 0.00 C ATOM 464 O TRP A 30 39.591 35.076 27.021 1.00 0.00 O ATOM 465 CB TRP A 30 39.490 32.591 29.101 1.00 0.00 C ATOM 466 CG TRP A 30 39.111 31.289 29.734 1.00 0.00 C ATOM 467 CD1 TRP A 30 39.871 30.583 30.600 1.00 0.00 C ATOM 468 CD2 TRP A 30 37.881 30.529 29.582 1.00 0.00 C ATOM 469 NE1 TRP A 30 39.196 29.439 30.989 1.00 0.00 N ATOM 470 CE2 TRP A 30 37.945 29.379 30.420 1.00 0.00 C ATOM 471 CE3 TRP A 30 36.737 30.684 28.782 1.00 0.00 C ATOM 472 CZ2 TRP A 30 36.887 28.462 30.505 1.00 0.00 C ATOM 473 CZ3 TRP A 30 35.674 29.772 28.842 1.00 0.00 C ATOM 474 CH2 TRP A 30 35.746 28.667 29.710 1.00 0.00 C ATOM 0 H TRP A 30 39.876 30.800 27.493 1.00 0.00 H new ATOM 0 HA TRP A 30 38.163 33.047 27.457 1.00 0.00 H new ATOM 0 HB2 TRP A 30 40.558 32.741 29.261 1.00 0.00 H new ATOM 0 HB3 TRP A 30 38.972 33.386 29.638 1.00 0.00 H new ATOM 0 HD1 TRP A 30 40.856 30.868 30.938 1.00 0.00 H new ATOM 0 HE1 TRP A 30 39.577 28.731 31.617 1.00 0.00 H new ATOM 0 HE3 TRP A 30 36.675 31.524 28.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 36.948 27.613 31.170 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 34.801 29.917 28.223 1.00 0.00 H new ATOM 0 HH2 TRP A 30 34.921 27.973 29.766 1.00 0.00 H new ATOM 485 N LYS A 31 41.203 33.596 26.435 1.00 0.00 N ATOM 486 CA LYS A 31 42.145 34.459 25.692 1.00 0.00 C ATOM 487 C LYS A 31 41.531 35.157 24.468 1.00 0.00 C ATOM 488 O LYS A 31 42.191 35.971 23.832 1.00 0.00 O ATOM 489 CB LYS A 31 43.355 33.611 25.246 1.00 0.00 C ATOM 490 CG LYS A 31 44.113 32.872 26.370 1.00 0.00 C ATOM 491 CD LYS A 31 44.860 33.777 27.359 1.00 0.00 C ATOM 492 CE LYS A 31 45.917 34.673 26.696 1.00 0.00 C ATOM 493 NZ LYS A 31 47.047 33.920 26.095 1.00 0.00 N1+ ATOM 0 H LYS A 31 41.534 32.632 26.461 1.00 0.00 H new ATOM 0 HA LYS A 31 42.441 35.255 26.375 1.00 0.00 H new ATOM 0 HB2 LYS A 31 43.010 32.873 24.522 1.00 0.00 H new ATOM 0 HB3 LYS A 31 44.059 34.262 24.727 1.00 0.00 H new ATOM 0 HG2 LYS A 31 43.401 32.262 26.927 1.00 0.00 H new ATOM 0 HG3 LYS A 31 44.830 32.189 25.915 1.00 0.00 H new ATOM 0 HD2 LYS A 31 44.138 34.406 27.880 1.00 0.00 H new ATOM 0 HD3 LYS A 31 45.344 33.156 28.113 1.00 0.00 H new ATOM 0 HE2 LYS A 31 45.438 35.272 25.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 46.309 35.368 27.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 47.720 34.587 25.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 47.529 33.369 26.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 46.685 33.276 25.363 1.00 0.00 H new ATOM 507 N LYS A 32 40.256 34.904 24.153 1.00 0.00 N ATOM 508 CA LYS A 32 39.491 35.642 23.131 1.00 0.00 C ATOM 509 C LYS A 32 38.273 36.358 23.711 1.00 0.00 C ATOM 510 O LYS A 32 37.922 37.437 23.254 1.00 0.00 O ATOM 511 CB LYS A 32 39.075 34.678 22.019 1.00 0.00 C ATOM 512 CG LYS A 32 40.230 34.083 21.200 1.00 0.00 C ATOM 513 CD LYS A 32 40.903 35.079 20.236 1.00 0.00 C ATOM 514 CE LYS A 32 39.969 35.515 19.090 1.00 0.00 C ATOM 515 NZ LYS A 32 40.494 36.675 18.333 1.00 0.00 N1+ ATOM 0 H LYS A 32 39.714 34.169 24.607 1.00 0.00 H new ATOM 0 HA LYS A 32 40.138 36.420 22.725 1.00 0.00 H new ATOM 0 HB2 LYS A 32 38.507 33.860 22.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 38.402 35.201 21.340 1.00 0.00 H new ATOM 0 HG2 LYS A 32 40.983 33.694 21.885 1.00 0.00 H new ATOM 0 HG3 LYS A 32 39.854 33.237 20.625 1.00 0.00 H new ATOM 0 HD2 LYS A 32 41.224 35.959 20.794 1.00 0.00 H new ATOM 0 HD3 LYS A 32 41.800 34.624 19.816 1.00 0.00 H new ATOM 0 HE2 LYS A 32 39.823 34.678 18.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 38.991 35.767 19.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 40.237 36.580 17.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 40.085 37.552 18.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 41.530 36.709 18.423 1.00 0.00 H new ATOM 529 N ILE A 33 37.691 35.843 24.796 1.00 0.00 N ATOM 530 CA ILE A 33 36.520 36.447 25.470 1.00 0.00 C ATOM 531 C ILE A 33 36.785 37.888 25.909 1.00 0.00 C ATOM 532 O ILE A 33 35.899 38.743 25.811 1.00 0.00 O ATOM 533 CB ILE A 33 36.041 35.566 26.646 1.00 0.00 C ATOM 534 CG1 ILE A 33 35.533 34.216 26.105 1.00 0.00 C ATOM 535 CG2 ILE A 33 34.933 36.266 27.450 1.00 0.00 C ATOM 536 CD1 ILE A 33 34.925 33.300 27.165 1.00 0.00 C ATOM 0 H ILE A 33 38.016 34.986 25.243 1.00 0.00 H new ATOM 0 HA ILE A 33 35.713 36.491 24.739 1.00 0.00 H new ATOM 0 HB ILE A 33 36.884 35.396 27.316 1.00 0.00 H new ATOM 0 HG12 ILE A 33 34.786 34.405 25.334 1.00 0.00 H new ATOM 0 HG13 ILE A 33 36.362 33.696 25.625 1.00 0.00 H new ATOM 0 HG21 ILE A 33 34.616 35.622 28.270 1.00 0.00 H new ATOM 0 HG22 ILE A 33 35.313 37.205 27.852 1.00 0.00 H new ATOM 0 HG23 ILE A 33 34.083 36.468 26.798 1.00 0.00 H new ATOM 0 HD11 ILE A 33 34.594 32.373 26.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 35.674 33.076 27.925 1.00 0.00 H new ATOM 0 HD13 ILE A 33 34.073 33.797 27.630 1.00 0.00 H new ATOM 548 N LYS A 34 38.022 38.187 26.311 1.00 0.00 N ATOM 549 CA LYS A 34 38.452 39.546 26.671 1.00 0.00 C ATOM 550 C LYS A 34 38.265 40.598 25.567 1.00 0.00 C ATOM 551 O LYS A 34 38.123 41.782 25.874 1.00 0.00 O ATOM 552 CB LYS A 34 39.885 39.501 27.220 1.00 0.00 C ATOM 553 CG LYS A 34 40.942 38.679 26.461 1.00 0.00 C ATOM 554 CD LYS A 34 41.102 38.988 24.972 1.00 0.00 C ATOM 555 CE LYS A 34 42.577 38.807 24.591 1.00 0.00 C ATOM 556 NZ LYS A 34 42.840 39.122 23.171 1.00 0.00 N1+ ATOM 0 H LYS A 34 38.761 37.490 26.398 1.00 0.00 H new ATOM 0 HA LYS A 34 37.780 39.894 27.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.247 40.527 27.283 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.837 39.117 28.239 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.906 38.830 26.947 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.694 37.623 26.566 1.00 0.00 H new ATOM 0 HD2 LYS A 34 40.474 38.324 24.378 1.00 0.00 H new ATOM 0 HD3 LYS A 34 40.779 40.007 24.760 1.00 0.00 H new ATOM 0 HE2 LYS A 34 43.193 39.448 25.222 1.00 0.00 H new ATOM 0 HE3 LYS A 34 42.877 37.779 24.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 43.799 38.809 22.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 42.146 38.631 22.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 42.760 40.148 23.022 1.00 0.00 H new ATOM 570 N GLU A 35 38.202 40.172 24.305 1.00 0.00 N ATOM 571 CA GLU A 35 37.888 41.029 23.145 1.00 0.00 C ATOM 572 C GLU A 35 36.389 41.350 23.001 1.00 0.00 C ATOM 573 O GLU A 35 36.036 42.418 22.496 1.00 0.00 O ATOM 574 CB GLU A 35 38.342 40.364 21.830 1.00 0.00 C ATOM 575 CG GLU A 35 39.858 40.276 21.665 1.00 0.00 C ATOM 576 CD GLU A 35 40.301 39.168 20.700 1.00 0.00 C ATOM 577 OE1 GLU A 35 39.744 39.032 19.585 1.00 0.00 O ATOM 578 OE2 GLU A 35 41.243 38.416 21.047 1.00 0.00 O1- ATOM 0 H GLU A 35 38.371 39.200 24.047 1.00 0.00 H new ATOM 0 HA GLU A 35 38.427 41.958 23.331 1.00 0.00 H new ATOM 0 HB2 GLU A 35 37.923 39.359 21.781 1.00 0.00 H new ATOM 0 HB3 GLU A 35 37.928 40.923 20.991 1.00 0.00 H new ATOM 0 HG2 GLU A 35 40.233 41.234 21.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 40.313 40.102 22.640 1.00 0.00 H new ATOM 585 N TYR A 36 35.505 40.448 23.443 1.00 0.00 N ATOM 586 CA TYR A 36 34.065 40.517 23.170 1.00 0.00 C ATOM 587 C TYR A 36 33.341 41.456 24.134 1.00 0.00 C ATOM 588 O TYR A 36 32.453 42.224 23.756 1.00 0.00 O ATOM 589 CB TYR A 36 33.489 39.101 23.281 1.00 0.00 C ATOM 590 CG TYR A 36 32.015 39.038 22.955 1.00 0.00 C ATOM 591 CD1 TYR A 36 31.615 39.102 21.609 1.00 0.00 C ATOM 592 CD2 TYR A 36 31.054 38.957 23.981 1.00 0.00 C ATOM 593 CE1 TYR A 36 30.250 39.108 21.279 1.00 0.00 C ATOM 594 CE2 TYR A 36 29.684 38.931 23.653 1.00 0.00 C ATOM 595 CZ TYR A 36 29.279 39.021 22.301 1.00 0.00 C ATOM 596 OH TYR A 36 27.961 39.042 21.971 1.00 0.00 O ATOM 0 H TYR A 36 35.772 39.641 24.006 1.00 0.00 H new ATOM 0 HA TYR A 36 33.916 40.919 22.168 1.00 0.00 H new ATOM 0 HB2 TYR A 36 34.033 38.439 22.608 1.00 0.00 H new ATOM 0 HB3 TYR A 36 33.648 38.728 24.293 1.00 0.00 H new ATOM 0 HD1 TYR A 36 32.359 39.147 20.827 1.00 0.00 H new ATOM 0 HD2 TYR A 36 31.366 38.915 25.014 1.00 0.00 H new ATOM 0 HE1 TYR A 36 29.943 39.179 20.246 1.00 0.00 H new ATOM 0 HE2 TYR A 36 28.943 38.842 24.434 1.00 0.00 H new ATOM 0 HH TYR A 36 27.840 38.651 21.080 1.00 0.00 H new ATOM 606 N ILE A 37 33.763 41.384 25.396 1.00 0.00 N ATOM 607 CA ILE A 37 33.387 42.335 26.446 1.00 0.00 C ATOM 608 C ILE A 37 34.196 43.648 26.342 1.00 0.00 C ATOM 609 O ILE A 37 33.667 44.713 26.654 1.00 0.00 O ATOM 610 CB ILE A 37 33.566 41.674 27.835 1.00 0.00 C ATOM 611 CG1 ILE A 37 32.602 40.480 28.036 1.00 0.00 C ATOM 612 CG2 ILE A 37 33.275 42.673 28.958 1.00 0.00 C ATOM 613 CD1 ILE A 37 33.217 39.138 27.661 1.00 0.00 C ATOM 0 H ILE A 37 34.388 40.649 25.725 1.00 0.00 H new ATOM 0 HA ILE A 37 32.338 42.600 26.313 1.00 0.00 H new ATOM 0 HB ILE A 37 34.600 41.331 27.872 1.00 0.00 H new ATOM 0 HG12 ILE A 37 32.287 40.448 29.079 1.00 0.00 H new ATOM 0 HG13 ILE A 37 31.706 40.641 27.437 1.00 0.00 H new ATOM 0 HG21 ILE A 37 33.408 42.184 29.923 1.00 0.00 H new ATOM 0 HG22 ILE A 37 33.961 43.517 28.881 1.00 0.00 H new ATOM 0 HG23 ILE A 37 32.249 43.030 28.870 1.00 0.00 H new ATOM 0 HD11 ILE A 37 32.488 38.345 27.826 1.00 0.00 H new ATOM 0 HD12 ILE A 37 33.507 39.152 26.610 1.00 0.00 H new ATOM 0 HD13 ILE A 37 34.097 38.956 28.278 1.00 0.00 H new ATOM 625 N GLY A 38 35.469 43.593 25.924 1.00 0.00 N ATOM 626 CA GLY A 38 36.392 44.741 25.929 1.00 0.00 C ATOM 627 C GLY A 38 37.224 44.896 27.216 1.00 0.00 C ATOM 628 O GLY A 38 37.780 45.964 27.469 1.00 0.00 O ATOM 0 H GLY A 38 35.894 42.737 25.567 1.00 0.00 H new ATOM 0 HA2 GLY A 38 37.072 44.646 25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 38 35.816 45.653 25.774 1.00 0.00 H new ATOM 632 N THR A 39 37.336 43.848 28.039 1.00 0.00 N ATOM 633 CA THR A 39 38.157 43.847 29.271 1.00 0.00 C ATOM 634 C THR A 39 39.656 43.880 28.985 1.00 0.00 C ATOM 635 O THR A 39 40.422 44.332 29.832 1.00 0.00 O ATOM 636 CB THR A 39 37.895 42.591 30.121 1.00 0.00 C ATOM 637 OG1 THR A 39 38.249 41.425 29.412 1.00 0.00 O ATOM 638 CG2 THR A 39 36.428 42.446 30.493 1.00 0.00 C ATOM 0 H THR A 39 36.857 42.963 27.873 1.00 0.00 H new ATOM 0 HA THR A 39 37.864 44.752 29.804 1.00 0.00 H new ATOM 0 HB THR A 39 38.499 42.709 31.021 1.00 0.00 H new ATOM 0 HG1 THR A 39 38.947 40.943 29.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 36.292 41.546 31.092 1.00 0.00 H new ATOM 0 HG22 THR A 39 36.111 43.316 31.068 1.00 0.00 H new ATOM 0 HG23 THR A 39 35.828 42.372 29.586 1.00 0.00 H new ATOM 646 N LYS A 40 40.074 43.352 27.824 1.00 0.00 N ATOM 647 CA LYS A 40 41.465 43.118 27.371 1.00 0.00 C ATOM 648 C LYS A 40 42.261 42.077 28.177 1.00 0.00 C ATOM 649 O LYS A 40 42.954 41.253 27.594 1.00 0.00 O ATOM 650 CB LYS A 40 42.239 44.435 27.161 1.00 0.00 C ATOM 651 CG LYS A 40 41.464 45.539 26.419 1.00 0.00 C ATOM 652 CD LYS A 40 41.087 45.264 24.952 1.00 0.00 C ATOM 653 CE LYS A 40 40.184 46.420 24.492 1.00 0.00 C ATOM 654 NZ LYS A 40 39.836 46.382 23.054 1.00 0.00 N1+ ATOM 0 H LYS A 40 39.400 43.053 27.119 1.00 0.00 H new ATOM 0 HA LYS A 40 41.352 42.646 26.395 1.00 0.00 H new ATOM 0 HB2 LYS A 40 42.543 44.818 28.135 1.00 0.00 H new ATOM 0 HB3 LYS A 40 43.151 44.217 26.605 1.00 0.00 H new ATOM 0 HG2 LYS A 40 40.547 45.739 26.973 1.00 0.00 H new ATOM 0 HG3 LYS A 40 42.060 46.451 26.450 1.00 0.00 H new ATOM 0 HD2 LYS A 40 41.980 45.202 24.330 1.00 0.00 H new ATOM 0 HD3 LYS A 40 40.568 44.310 24.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 39.265 46.403 25.077 1.00 0.00 H new ATOM 0 HE3 LYS A 40 40.683 47.365 24.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 39.227 47.192 22.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 40.705 46.429 22.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 39.331 45.498 22.842 1.00 0.00 H new ATOM 668 N THR A 41 42.081 42.064 29.491 1.00 0.00 N ATOM 669 CA THR A 41 42.576 41.056 30.455 1.00 0.00 C ATOM 670 C THR A 41 41.578 39.912 30.698 1.00 0.00 C ATOM 671 O THR A 41 40.360 40.094 30.588 1.00 0.00 O ATOM 672 CB THR A 41 42.966 41.693 31.804 1.00 0.00 C ATOM 673 OG1 THR A 41 41.895 42.401 32.400 1.00 0.00 O ATOM 674 CG2 THR A 41 44.137 42.658 31.669 1.00 0.00 C ATOM 0 H THR A 41 41.551 42.801 29.956 1.00 0.00 H new ATOM 0 HA THR A 41 43.465 40.630 29.991 1.00 0.00 H new ATOM 0 HB THR A 41 43.247 40.852 32.437 1.00 0.00 H new ATOM 0 HG1 THR A 41 41.151 41.786 32.569 1.00 0.00 H new ATOM 0 HG21 THR A 41 44.374 43.081 32.645 1.00 0.00 H new ATOM 0 HG22 THR A 41 45.006 42.124 31.284 1.00 0.00 H new ATOM 0 HG23 THR A 41 43.870 43.460 30.981 1.00 0.00 H new ATOM 682 N VAL A 42 42.101 38.733 31.057 1.00 0.00 N ATOM 683 CA VAL A 42 41.363 37.463 31.260 1.00 0.00 C ATOM 684 C VAL A 42 41.221 37.065 32.736 1.00 0.00 C ATOM 685 O VAL A 42 40.340 36.265 33.047 1.00 0.00 O ATOM 686 CB VAL A 42 42.018 36.332 30.425 1.00 0.00 C ATOM 687 CG1 VAL A 42 41.504 34.917 30.692 1.00 0.00 C ATOM 688 CG2 VAL A 42 41.822 36.632 28.949 1.00 0.00 C ATOM 0 H VAL A 42 43.101 38.625 31.224 1.00 0.00 H new ATOM 0 HA VAL A 42 40.344 37.625 30.908 1.00 0.00 H new ATOM 0 HB VAL A 42 43.064 36.330 30.730 1.00 0.00 H new ATOM 0 HG11 VAL A 42 42.033 34.211 30.052 1.00 0.00 H new ATOM 0 HG12 VAL A 42 41.675 34.659 31.737 1.00 0.00 H new ATOM 0 HG13 VAL A 42 40.436 34.871 30.477 1.00 0.00 H new ATOM 0 HG21 VAL A 42 42.279 35.842 28.353 1.00 0.00 H new ATOM 0 HG22 VAL A 42 40.756 36.683 28.727 1.00 0.00 H new ATOM 0 HG23 VAL A 42 42.290 37.586 28.706 1.00 0.00 H new ATOM 698 N VAL A 43 41.998 37.648 33.662 1.00 0.00 N ATOM 699 CA VAL A 43 42.038 37.257 35.099 1.00 0.00 C ATOM 700 C VAL A 43 40.640 37.101 35.727 1.00 0.00 C ATOM 701 O VAL A 43 40.343 36.106 36.384 1.00 0.00 O ATOM 702 CB VAL A 43 42.868 38.279 35.917 1.00 0.00 C ATOM 703 CG1 VAL A 43 42.832 38.019 37.429 1.00 0.00 C ATOM 704 CG2 VAL A 43 44.342 38.274 35.497 1.00 0.00 C ATOM 0 H VAL A 43 42.630 38.417 33.440 1.00 0.00 H new ATOM 0 HA VAL A 43 42.514 36.277 35.134 1.00 0.00 H new ATOM 0 HB VAL A 43 42.402 39.241 35.705 1.00 0.00 H new ATOM 0 HG11 VAL A 43 43.433 38.770 37.942 1.00 0.00 H new ATOM 0 HG12 VAL A 43 41.803 38.074 37.783 1.00 0.00 H new ATOM 0 HG13 VAL A 43 43.235 37.028 37.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.892 39.003 36.092 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.763 37.282 35.658 1.00 0.00 H new ATOM 0 HG23 VAL A 43 44.420 38.534 34.441 1.00 0.00 H new ATOM 714 N GLN A 44 39.768 38.073 35.481 1.00 0.00 N ATOM 715 CA GLN A 44 38.354 38.109 35.891 1.00 0.00 C ATOM 716 C GLN A 44 37.451 37.138 35.115 1.00 0.00 C ATOM 717 O GLN A 44 36.490 36.610 35.668 1.00 0.00 O ATOM 718 CB GLN A 44 37.785 39.543 35.803 1.00 0.00 C ATOM 719 CG GLN A 44 38.678 40.679 35.257 1.00 0.00 C ATOM 720 CD GLN A 44 39.291 40.423 33.882 1.00 0.00 C ATOM 721 OE1 GLN A 44 40.483 40.583 33.676 1.00 0.00 O ATOM 722 NE2 GLN A 44 38.573 39.870 32.938 1.00 0.00 N ATOM 0 H GLN A 44 40.037 38.908 34.961 1.00 0.00 H new ATOM 0 HA GLN A 44 38.349 37.774 36.928 1.00 0.00 H new ATOM 0 HB2 GLN A 44 36.890 39.503 35.182 1.00 0.00 H new ATOM 0 HB3 GLN A 44 37.465 39.830 36.805 1.00 0.00 H new ATOM 0 HG2 GLN A 44 38.086 41.593 35.208 1.00 0.00 H new ATOM 0 HG3 GLN A 44 39.484 40.859 35.968 1.00 0.00 H new ATOM 0 HE21 GLN A 44 37.574 39.722 33.078 1.00 0.00 H new ATOM 0 HE22 GLN A 44 39.013 39.587 32.062 1.00 0.00 H new ATOM 731 N ILE A 45 37.705 36.916 33.825 1.00 0.00 N ATOM 732 CA ILE A 45 36.937 35.972 32.995 1.00 0.00 C ATOM 733 C ILE A 45 37.186 34.522 33.411 1.00 0.00 C ATOM 734 O ILE A 45 36.246 33.735 33.411 1.00 0.00 O ATOM 735 CB ILE A 45 37.233 36.189 31.490 1.00 0.00 C ATOM 736 CG1 ILE A 45 36.643 37.531 31.001 1.00 0.00 C ATOM 737 CG2 ILE A 45 36.672 35.057 30.606 1.00 0.00 C ATOM 738 CD1 ILE A 45 37.385 38.111 29.796 1.00 0.00 C ATOM 0 H ILE A 45 38.454 37.387 33.318 1.00 0.00 H new ATOM 0 HA ILE A 45 35.879 36.174 33.159 1.00 0.00 H new ATOM 0 HB ILE A 45 38.319 36.196 31.395 1.00 0.00 H new ATOM 0 HG12 ILE A 45 35.595 37.386 30.739 1.00 0.00 H new ATOM 0 HG13 ILE A 45 36.670 38.252 31.818 1.00 0.00 H new ATOM 0 HG21 ILE A 45 36.908 35.260 29.561 1.00 0.00 H new ATOM 0 HG22 ILE A 45 37.120 34.108 30.902 1.00 0.00 H new ATOM 0 HG23 ILE A 45 35.590 35.001 30.729 1.00 0.00 H new ATOM 0 HD11 ILE A 45 36.922 39.053 29.502 1.00 0.00 H new ATOM 0 HD12 ILE A 45 38.428 38.287 30.061 1.00 0.00 H new ATOM 0 HD13 ILE A 45 37.335 37.407 28.965 1.00 0.00 H new ATOM 750 N ARG A 46 38.414 34.168 33.794 1.00 0.00 N ATOM 751 CA ARG A 46 38.809 32.777 34.108 1.00 0.00 C ATOM 752 C ARG A 46 37.942 32.160 35.209 1.00 0.00 C ATOM 753 O ARG A 46 37.439 31.043 35.074 1.00 0.00 O ATOM 754 CB ARG A 46 40.291 32.799 34.519 1.00 0.00 C ATOM 755 CG ARG A 46 40.871 31.457 34.995 1.00 0.00 C ATOM 756 CD ARG A 46 40.784 30.284 34.007 1.00 0.00 C ATOM 757 NE ARG A 46 41.085 29.025 34.715 1.00 0.00 N ATOM 758 CZ ARG A 46 42.182 28.297 34.654 1.00 0.00 C ATOM 759 NH1 ARG A 46 43.068 28.397 33.713 1.00 0.00 N1+ ATOM 760 NH2 ARG A 46 42.423 27.431 35.585 1.00 0.00 N ATOM 0 H ARG A 46 39.176 34.838 33.899 1.00 0.00 H new ATOM 0 HA ARG A 46 38.661 32.150 33.228 1.00 0.00 H new ATOM 0 HB2 ARG A 46 40.879 33.147 33.670 1.00 0.00 H new ATOM 0 HB3 ARG A 46 40.417 33.532 35.316 1.00 0.00 H new ATOM 0 HG2 ARG A 46 41.919 31.610 35.251 1.00 0.00 H new ATOM 0 HG3 ARG A 46 40.357 31.169 35.912 1.00 0.00 H new ATOM 0 HD2 ARG A 46 39.788 30.238 33.567 1.00 0.00 H new ATOM 0 HD3 ARG A 46 41.488 30.431 33.188 1.00 0.00 H new ATOM 0 HE ARG A 46 40.351 28.673 35.330 1.00 0.00 H new ATOM 0 HH11 ARG A 46 42.937 29.071 32.959 1.00 0.00 H new ATOM 0 HH12 ARG A 46 43.896 27.801 33.727 1.00 0.00 H new ATOM 0 HH21 ARG A 46 41.767 27.316 36.357 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.269 26.863 35.546 1.00 0.00 H new ATOM 774 N SER A 47 37.773 32.926 36.279 1.00 0.00 N ATOM 775 CA SER A 47 36.971 32.576 37.462 1.00 0.00 C ATOM 776 C SER A 47 35.461 32.668 37.225 1.00 0.00 C ATOM 777 O SER A 47 34.719 31.826 37.735 1.00 0.00 O ATOM 778 CB SER A 47 37.381 33.482 38.628 1.00 0.00 C ATOM 779 OG SER A 47 37.338 34.844 38.243 1.00 0.00 O ATOM 0 H SER A 47 38.205 33.847 36.357 1.00 0.00 H new ATOM 0 HA SER A 47 37.175 31.531 37.695 1.00 0.00 H new ATOM 0 HB2 SER A 47 36.715 33.317 39.475 1.00 0.00 H new ATOM 0 HB3 SER A 47 38.387 33.224 38.959 1.00 0.00 H new ATOM 0 HG SER A 47 37.601 35.407 39.001 1.00 0.00 H new ATOM 785 N HIS A 48 34.990 33.641 36.435 1.00 0.00 N ATOM 786 CA HIS A 48 33.563 33.758 36.103 1.00 0.00 C ATOM 787 C HIS A 48 33.106 32.715 35.085 1.00 0.00 C ATOM 788 O HIS A 48 31.975 32.248 35.173 1.00 0.00 O ATOM 789 CB HIS A 48 33.220 35.170 35.613 1.00 0.00 C ATOM 790 CG HIS A 48 32.154 35.810 36.465 1.00 0.00 C ATOM 791 ND1 HIS A 48 32.314 36.168 37.805 1.00 0.00 N ATOM 792 CD2 HIS A 48 30.869 36.062 36.086 1.00 0.00 C ATOM 793 CE1 HIS A 48 31.120 36.637 38.199 1.00 0.00 C ATOM 794 NE2 HIS A 48 30.234 36.583 37.192 1.00 0.00 N ATOM 0 H HIS A 48 35.577 34.360 36.013 1.00 0.00 H new ATOM 0 HA HIS A 48 33.018 33.565 37.027 1.00 0.00 H new ATOM 0 HB2 HIS A 48 34.117 35.788 35.627 1.00 0.00 H new ATOM 0 HB3 HIS A 48 32.881 35.124 34.578 1.00 0.00 H new ATOM 0 HD2 HIS A 48 30.435 35.888 35.112 1.00 0.00 H new ATOM 0 HE1 HIS A 48 30.902 37.007 39.190 1.00 0.00 H new ATOM 0 HE2 HIS A 48 29.258 36.877 37.238 1.00 0.00 H new ATOM 802 N ALA A 49 33.977 32.303 34.159 1.00 0.00 N ATOM 803 CA ALA A 49 33.693 31.248 33.198 1.00 0.00 C ATOM 804 C ALA A 49 33.219 29.978 33.916 1.00 0.00 C ATOM 805 O ALA A 49 32.109 29.516 33.694 1.00 0.00 O ATOM 806 CB ALA A 49 34.921 31.003 32.314 1.00 0.00 C ATOM 0 H ALA A 49 34.910 32.702 34.059 1.00 0.00 H new ATOM 0 HA ALA A 49 32.878 31.559 32.544 1.00 0.00 H new ATOM 0 HB1 ALA A 49 34.701 30.212 31.597 1.00 0.00 H new ATOM 0 HB2 ALA A 49 35.172 31.919 31.779 1.00 0.00 H new ATOM 0 HB3 ALA A 49 35.764 30.704 32.937 1.00 0.00 H new ATOM 812 N GLN A 50 33.970 29.503 34.903 1.00 0.00 N ATOM 813 CA GLN A 50 33.596 28.392 35.774 1.00 0.00 C ATOM 814 C GLN A 50 32.137 28.426 36.300 1.00 0.00 C ATOM 815 O GLN A 50 31.516 27.375 36.455 1.00 0.00 O ATOM 816 CB GLN A 50 34.607 28.434 36.920 1.00 0.00 C ATOM 817 CG GLN A 50 34.882 27.061 37.534 1.00 0.00 C ATOM 818 CD GLN A 50 35.401 27.173 38.964 1.00 0.00 C ATOM 819 OE1 GLN A 50 34.736 27.693 39.848 1.00 0.00 O ATOM 820 NE2 GLN A 50 36.596 26.728 39.270 1.00 0.00 N ATOM 0 H GLN A 50 34.886 29.892 35.127 1.00 0.00 H new ATOM 0 HA GLN A 50 33.623 27.461 35.208 1.00 0.00 H new ATOM 0 HB2 GLN A 50 35.543 28.855 36.554 1.00 0.00 H new ATOM 0 HB3 GLN A 50 34.238 29.104 37.696 1.00 0.00 H new ATOM 0 HG2 GLN A 50 33.967 26.469 37.525 1.00 0.00 H new ATOM 0 HG3 GLN A 50 35.612 26.529 36.923 1.00 0.00 H new ATOM 0 HE21 GLN A 50 37.175 26.289 38.554 1.00 0.00 H new ATOM 0 HE22 GLN A 50 36.946 26.821 40.224 1.00 0.00 H new ATOM 829 N LYS A 51 31.533 29.608 36.495 1.00 0.00 N ATOM 830 CA LYS A 51 30.109 29.742 36.862 1.00 0.00 C ATOM 831 C LYS A 51 29.124 29.273 35.780 1.00 0.00 C ATOM 832 O LYS A 51 28.057 28.780 36.147 1.00 0.00 O ATOM 833 CB LYS A 51 29.791 31.184 37.295 1.00 0.00 C ATOM 834 CG LYS A 51 30.628 31.712 38.469 1.00 0.00 C ATOM 835 CD LYS A 51 30.362 30.910 39.753 1.00 0.00 C ATOM 836 CE LYS A 51 30.885 31.693 40.951 1.00 0.00 C ATOM 837 NZ LYS A 51 30.478 31.068 42.234 1.00 0.00 N1+ ATOM 0 H LYS A 51 32.016 30.501 36.403 1.00 0.00 H new ATOM 0 HA LYS A 51 29.963 29.064 37.703 1.00 0.00 H new ATOM 0 HB2 LYS A 51 29.936 31.844 36.440 1.00 0.00 H new ATOM 0 HB3 LYS A 51 28.737 31.241 37.566 1.00 0.00 H new ATOM 0 HG2 LYS A 51 31.687 31.657 38.217 1.00 0.00 H new ATOM 0 HG3 LYS A 51 30.395 32.763 38.640 1.00 0.00 H new ATOM 0 HD2 LYS A 51 29.294 30.723 39.864 1.00 0.00 H new ATOM 0 HD3 LYS A 51 30.852 29.938 39.697 1.00 0.00 H new ATOM 0 HE2 LYS A 51 31.972 31.750 40.902 1.00 0.00 H new ATOM 0 HE3 LYS A 51 30.510 32.716 40.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 30.852 31.628 43.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 29.440 31.037 42.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 30.857 30.101 42.284 1.00 0.00 H new ATOM 851 N TYR A 52 29.433 29.353 34.477 1.00 0.00 N ATOM 852 CA TYR A 52 28.603 28.694 33.449 1.00 0.00 C ATOM 853 C TYR A 52 28.648 27.156 33.622 1.00 0.00 C ATOM 854 O TYR A 52 27.626 26.464 33.558 1.00 0.00 O ATOM 855 CB TYR A 52 29.027 29.119 32.017 1.00 0.00 C ATOM 856 CG TYR A 52 29.910 28.137 31.243 1.00 0.00 C ATOM 857 CD1 TYR A 52 31.299 28.347 31.179 1.00 0.00 C ATOM 858 CD2 TYR A 52 29.371 26.969 30.662 1.00 0.00 C ATOM 859 CE1 TYR A 52 32.153 27.343 30.708 1.00 0.00 C ATOM 860 CE2 TYR A 52 30.229 25.981 30.129 1.00 0.00 C ATOM 861 CZ TYR A 52 31.629 26.147 30.194 1.00 0.00 C ATOM 862 OH TYR A 52 32.484 25.161 29.809 1.00 0.00 O ATOM 0 H TYR A 52 30.239 29.859 34.110 1.00 0.00 H new ATOM 0 HA TYR A 52 27.572 29.020 33.585 1.00 0.00 H new ATOM 0 HB2 TYR A 52 28.124 29.298 31.433 1.00 0.00 H new ATOM 0 HB3 TYR A 52 29.555 30.070 32.086 1.00 0.00 H new ATOM 0 HD1 TYR A 52 31.711 29.293 31.497 1.00 0.00 H new ATOM 0 HD2 TYR A 52 28.301 26.830 30.625 1.00 0.00 H new ATOM 0 HE1 TYR A 52 33.222 27.490 30.740 1.00 0.00 H new ATOM 0 HE2 TYR A 52 29.812 25.096 29.671 1.00 0.00 H new ATOM 0 HH TYR A 52 31.971 24.395 29.476 1.00 0.00 H new ATOM 872 N PHE A 53 29.855 26.637 33.873 1.00 0.00 N ATOM 873 CA PHE A 53 30.209 25.216 33.908 1.00 0.00 C ATOM 874 C PHE A 53 29.592 24.473 35.107 1.00 0.00 C ATOM 875 O PHE A 53 29.077 23.360 34.949 1.00 0.00 O ATOM 876 CB PHE A 53 31.749 25.162 33.886 1.00 0.00 C ATOM 877 CG PHE A 53 32.400 23.862 34.303 1.00 0.00 C ATOM 878 CD1 PHE A 53 32.605 23.597 35.669 1.00 0.00 C ATOM 879 CD2 PHE A 53 32.873 22.953 33.338 1.00 0.00 C ATOM 880 CE1 PHE A 53 33.245 22.415 36.072 1.00 0.00 C ATOM 881 CE2 PHE A 53 33.534 21.779 33.740 1.00 0.00 C ATOM 882 CZ PHE A 53 33.716 21.506 35.107 1.00 0.00 C ATOM 0 H PHE A 53 30.658 27.235 34.069 1.00 0.00 H new ATOM 0 HA PHE A 53 29.794 24.690 33.048 1.00 0.00 H new ATOM 0 HB2 PHE A 53 32.081 25.397 32.875 1.00 0.00 H new ATOM 0 HB3 PHE A 53 32.124 25.952 34.537 1.00 0.00 H new ATOM 0 HD1 PHE A 53 32.268 24.306 36.411 1.00 0.00 H new ATOM 0 HD2 PHE A 53 32.728 23.158 32.288 1.00 0.00 H new ATOM 0 HE1 PHE A 53 33.376 22.203 37.123 1.00 0.00 H new ATOM 0 HE2 PHE A 53 33.902 21.086 32.998 1.00 0.00 H new ATOM 0 HZ PHE A 53 34.216 20.600 35.416 1.00 0.00 H new ATOM 892 N LEU A 54 29.557 25.114 36.282 1.00 0.00 N ATOM 893 CA LEU A 54 28.940 24.581 37.508 1.00 0.00 C ATOM 894 C LEU A 54 27.416 24.417 37.385 1.00 0.00 C ATOM 895 O LEU A 54 26.830 23.530 38.016 1.00 0.00 O ATOM 896 CB LEU A 54 29.271 25.518 38.686 1.00 0.00 C ATOM 897 CG LEU A 54 30.765 25.542 39.056 1.00 0.00 C ATOM 898 CD1 LEU A 54 31.070 26.758 39.923 1.00 0.00 C ATOM 899 CD2 LEU A 54 31.194 24.287 39.808 1.00 0.00 C ATOM 0 H LEU A 54 29.966 26.039 36.412 1.00 0.00 H new ATOM 0 HA LEU A 54 29.352 23.586 37.679 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.952 26.529 38.435 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.695 25.209 39.558 1.00 0.00 H new ATOM 0 HG LEU A 54 31.322 25.589 38.120 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.129 26.766 40.179 1.00 0.00 H new ATOM 0 HD12 LEU A 54 30.823 27.667 39.375 1.00 0.00 H new ATOM 0 HD13 LEU A 54 30.476 26.712 40.836 1.00 0.00 H new ATOM 0 HD21 LEU A 54 32.256 24.351 40.047 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.619 24.201 40.730 1.00 0.00 H new ATOM 0 HD23 LEU A 54 31.014 23.411 39.185 1.00 0.00 H new ATOM 911 N LYS A 55 26.769 25.247 36.555 1.00 0.00 N ATOM 912 CA LYS A 55 25.329 25.141 36.255 1.00 0.00 C ATOM 913 C LYS A 55 24.991 24.024 35.263 1.00 0.00 C ATOM 914 O LYS A 55 23.897 23.471 35.348 1.00 0.00 O ATOM 915 CB LYS A 55 24.769 26.493 35.787 1.00 0.00 C ATOM 916 CG LYS A 55 24.858 27.592 36.859 1.00 0.00 C ATOM 917 CD LYS A 55 24.172 27.305 38.205 1.00 0.00 C ATOM 918 CE LYS A 55 22.694 26.960 38.024 1.00 0.00 C ATOM 919 NZ LYS A 55 21.976 26.878 39.315 1.00 0.00 N1+ ATOM 0 H LYS A 55 27.230 26.016 36.069 1.00 0.00 H new ATOM 0 HA LYS A 55 24.841 24.863 37.189 1.00 0.00 H new ATOM 0 HB2 LYS A 55 25.313 26.816 34.899 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.727 26.365 35.493 1.00 0.00 H new ATOM 0 HG2 LYS A 55 25.912 27.795 37.051 1.00 0.00 H new ATOM 0 HG3 LYS A 55 24.428 28.505 36.446 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.680 26.479 38.704 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.266 28.176 38.854 1.00 0.00 H new ATOM 0 HE2 LYS A 55 22.221 27.714 37.395 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.607 26.008 37.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 20.978 26.642 39.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.409 26.141 39.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 22.036 27.794 39.804 1.00 0.00 H new ATOM 933 N LEU A 56 25.908 23.644 34.367 1.00 0.00 N ATOM 934 CA LEU A 56 25.731 22.462 33.507 1.00 0.00 C ATOM 935 C LEU A 56 25.814 21.143 34.294 1.00 0.00 C ATOM 936 O LEU A 56 25.082 20.200 33.989 1.00 0.00 O ATOM 937 CB LEU A 56 26.765 22.470 32.369 1.00 0.00 C ATOM 938 CG LEU A 56 26.619 23.599 31.336 1.00 0.00 C ATOM 939 CD1 LEU A 56 27.672 23.399 30.249 1.00 0.00 C ATOM 940 CD2 LEU A 56 25.250 23.611 30.651 1.00 0.00 C ATOM 0 H LEU A 56 26.787 24.139 34.216 1.00 0.00 H new ATOM 0 HA LEU A 56 24.728 22.521 33.086 1.00 0.00 H new ATOM 0 HB2 LEU A 56 27.760 22.533 32.809 1.00 0.00 H new ATOM 0 HB3 LEU A 56 26.708 21.516 31.846 1.00 0.00 H new ATOM 0 HG LEU A 56 26.739 24.541 31.871 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.583 24.192 29.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 28.666 23.429 30.695 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.520 22.433 29.768 1.00 0.00 H new ATOM 0 HD21 LEU A 56 25.209 24.430 29.933 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.095 22.666 30.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 24.470 23.746 31.400 1.00 0.00 H new ATOM 952 N ASN A 57 26.653 21.090 35.335 1.00 0.00 N ATOM 953 CA ASN A 57 26.730 19.966 36.274 1.00 0.00 C ATOM 954 C ASN A 57 25.427 19.789 37.097 1.00 0.00 C ATOM 955 O ASN A 57 24.611 20.714 37.191 1.00 0.00 O ATOM 956 CB ASN A 57 27.958 20.195 37.186 1.00 0.00 C ATOM 957 CG ASN A 57 28.283 18.983 38.040 1.00 0.00 C ATOM 958 OD1 ASN A 57 28.075 17.852 37.627 1.00 0.00 O ATOM 959 ND2 ASN A 57 28.758 19.154 39.251 1.00 0.00 N ATOM 0 H ASN A 57 27.309 21.841 35.552 1.00 0.00 H new ATOM 0 HA ASN A 57 26.844 19.036 35.717 1.00 0.00 H new ATOM 0 HB2 ASN A 57 28.822 20.444 36.570 1.00 0.00 H new ATOM 0 HB3 ASN A 57 27.771 21.052 37.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.952 18.345 39.842 1.00 0.00 H new ATOM 0 HD22 ASN A 57 28.934 20.096 39.602 1.00 0.00 H new ATOM 966 N LYS A 58 25.235 18.625 37.733 1.00 0.00 N ATOM 967 CA LYS A 58 24.167 18.393 38.733 1.00 0.00 C ATOM 968 C LYS A 58 24.273 19.346 39.940 1.00 0.00 C ATOM 969 O LYS A 58 25.332 19.931 40.182 1.00 0.00 O ATOM 970 CB LYS A 58 24.131 16.913 39.159 1.00 0.00 C ATOM 971 CG LYS A 58 25.424 16.431 39.832 1.00 0.00 C ATOM 972 CD LYS A 58 25.262 15.035 40.453 1.00 0.00 C ATOM 973 CE LYS A 58 26.629 14.599 40.988 1.00 0.00 C ATOM 974 NZ LYS A 58 26.582 13.290 41.686 1.00 0.00 N1+ ATOM 0 H LYS A 58 25.820 17.805 37.570 1.00 0.00 H new ATOM 0 HA LYS A 58 23.215 18.624 38.255 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.297 16.762 39.845 1.00 0.00 H new ATOM 0 HB3 LYS A 58 23.937 16.296 38.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.229 16.410 39.098 1.00 0.00 H new ATOM 0 HG3 LYS A 58 25.717 17.141 40.606 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.527 15.058 41.257 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.899 14.326 39.709 1.00 0.00 H new ATOM 0 HE2 LYS A 58 27.336 14.539 40.160 1.00 0.00 H new ATOM 0 HE3 LYS A 58 27.005 15.358 41.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.533 13.044 42.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 25.929 13.350 42.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.250 12.557 41.027 1.00 0.00 H new ATOM 988 N THR A 59 23.187 19.523 40.694 1.00 0.00 N ATOM 989 CA THR A 59 23.139 20.427 41.866 1.00 0.00 C ATOM 990 C THR A 59 23.917 19.931 43.089 1.00 0.00 C ATOM 991 O THR A 59 24.361 20.762 43.879 1.00 0.00 O ATOM 992 CB THR A 59 21.693 20.749 42.277 1.00 0.00 C ATOM 993 OG1 THR A 59 20.957 19.568 42.530 1.00 0.00 O ATOM 994 CG2 THR A 59 20.958 21.571 41.218 1.00 0.00 C ATOM 0 H THR A 59 22.305 19.044 40.515 1.00 0.00 H new ATOM 0 HA THR A 59 23.639 21.333 41.523 1.00 0.00 H new ATOM 0 HB THR A 59 21.764 21.341 43.189 1.00 0.00 H new ATOM 0 HG1 THR A 59 20.042 19.802 42.791 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.941 21.773 41.555 1.00 0.00 H new ATOM 0 HG22 THR A 59 21.482 22.514 41.061 1.00 0.00 H new ATOM 0 HG23 THR A 59 20.926 21.013 40.282 1.00 0.00 H new ATOM 1002 N ALA A 60 24.111 18.614 43.222 1.00 0.00 N ATOM 1003 CA ALA A 60 24.950 17.929 44.231 1.00 0.00 C ATOM 1004 C ALA A 60 24.704 18.362 45.696 1.00 0.00 C ATOM 1005 O ALA A 60 25.659 18.843 46.373 1.00 0.00 O ATOM 1006 CB ALA A 60 26.418 18.010 43.777 1.00 0.00 C ATOM 1007 OXT ALA A 60 23.575 18.160 46.184 1.00 0.00 O1- ATOM 0 H ALA A 60 23.661 17.950 42.592 1.00 0.00 H new ATOM 0 HA ALA A 60 24.649 16.882 44.270 1.00 0.00 H new ATOM 0 HB1 ALA A 60 27.053 17.510 44.508 1.00 0.00 H new ATOM 0 HB2 ALA A 60 26.527 17.522 42.808 1.00 0.00 H new ATOM 0 HB3 ALA A 60 26.715 19.055 43.692 1.00 0.00 H new TER 1013 ALA A 60