USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 396 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 36 GLN : amide:sc= -0.0738 K(o=-0.74,f=-1.7!) USER MOD Set 1.2: A 40 ASN : amide:sc= -0.669 K(o=-0.74,f=0.1) USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0.0628 USER MOD Set 2.2: A 19 LYS NZ :NH3+ -125:sc= -0.0589 (180deg=-0.8) USER MOD Single : A 1 LYS N :NH3+ 152:sc= 0.005 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -158:sc= -0.13 (180deg=-0.573) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.134) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -45:sc= 1.39 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.682 0.405 -1.954 1.00 43.14 N ATOM 2 CA LYS A 1 -0.446 0.060 -2.811 1.00 13.32 C ATOM 3 C LYS A 1 -1.396 1.244 -2.962 1.00 40.32 C ATOM 4 O LYS A 1 -1.693 1.942 -1.993 1.00 13.45 O ATOM 5 CB LYS A 1 -1.200 -1.142 -2.237 1.00 10.41 C ATOM 6 CG LYS A 1 -0.669 -2.480 -2.721 1.00 13.13 C ATOM 7 CD LYS A 1 -1.564 -3.627 -2.281 1.00 54.55 C ATOM 8 CE LYS A 1 -0.760 -4.750 -1.646 1.00 44.01 C ATOM 9 NZ LYS A 1 -1.610 -5.931 -1.330 1.00 64.23 N ATOM 0 H1 LYS A 1 1.036 -0.453 -1.484 1.00 43.14 H new ATOM 0 H2 LYS A 1 1.441 0.822 -2.530 1.00 43.14 H new ATOM 0 H3 LYS A 1 0.375 1.092 -1.236 1.00 43.14 H new ATOM 0 HA LYS A 1 -0.057 -0.199 -3.795 1.00 13.32 H new ATOM 0 HB2 LYS A 1 -1.143 -1.110 -1.149 1.00 10.41 H new ATOM 0 HB3 LYS A 1 -2.254 -1.061 -2.504 1.00 10.41 H new ATOM 0 HG2 LYS A 1 -0.595 -2.471 -3.808 1.00 13.13 H new ATOM 0 HG3 LYS A 1 0.338 -2.634 -2.334 1.00 13.13 H new ATOM 0 HD2 LYS A 1 -2.304 -3.260 -1.569 1.00 54.55 H new ATOM 0 HD3 LYS A 1 -2.113 -4.012 -3.141 1.00 54.55 H new ATOM 0 HE2 LYS A 1 0.041 -5.050 -2.321 1.00 44.01 H new ATOM 0 HE3 LYS A 1 -0.288 -4.387 -0.733 1.00 44.01 H new ATOM 0 HZ1 LYS A 1 -1.025 -6.675 -0.899 1.00 64.23 H new ATOM 0 HZ2 LYS A 1 -2.360 -5.651 -0.666 1.00 64.23 H new ATOM 0 HZ3 LYS A 1 -2.040 -6.293 -2.205 1.00 64.23 H new ATOM 23 N PHE A 2 -1.870 1.464 -4.184 1.00 12.21 N ATOM 24 CA PHE A 2 -2.787 2.564 -4.462 1.00 30.42 C ATOM 25 C PHE A 2 -2.122 3.909 -4.187 1.00 1.11 C ATOM 26 O PHE A 2 -1.957 4.309 -3.034 1.00 43.54 O ATOM 27 CB PHE A 2 -4.054 2.426 -3.615 1.00 21.32 C ATOM 28 CG PHE A 2 -5.151 3.369 -4.019 1.00 22.20 C ATOM 29 CD1 PHE A 2 -5.933 3.106 -5.132 1.00 41.41 C ATOM 30 CD2 PHE A 2 -5.399 4.518 -3.286 1.00 13.01 C ATOM 31 CE1 PHE A 2 -6.943 3.972 -5.507 1.00 14.04 C ATOM 32 CE2 PHE A 2 -6.409 5.387 -3.655 1.00 64.03 C ATOM 33 CZ PHE A 2 -7.181 5.114 -4.768 1.00 3.44 C ATOM 0 H PHE A 2 -1.634 0.895 -4.997 1.00 12.21 H new ATOM 0 HA PHE A 2 -3.057 2.521 -5.517 1.00 30.42 H new ATOM 0 HB2 PHE A 2 -4.421 1.402 -3.688 1.00 21.32 H new ATOM 0 HB3 PHE A 2 -3.803 2.600 -2.569 1.00 21.32 H new ATOM 0 HD1 PHE A 2 -5.751 2.214 -5.713 1.00 41.41 H new ATOM 0 HD2 PHE A 2 -4.797 4.737 -2.417 1.00 13.01 H new ATOM 0 HE1 PHE A 2 -7.545 3.756 -6.377 1.00 14.04 H new ATOM 0 HE2 PHE A 2 -6.594 6.278 -3.074 1.00 64.03 H new ATOM 0 HZ PHE A 2 -7.969 5.793 -5.059 1.00 3.44 H new ATOM 43 N LYS A 3 -1.741 4.603 -5.254 1.00 52.01 N ATOM 44 CA LYS A 3 -1.094 5.904 -5.131 1.00 34.03 C ATOM 45 C LYS A 3 -2.070 6.948 -4.597 1.00 1.11 C ATOM 46 O LYS A 3 -3.068 7.266 -5.244 1.00 2.44 O ATOM 47 CB LYS A 3 -0.542 6.352 -6.486 1.00 1.45 C ATOM 48 CG LYS A 3 0.519 5.422 -7.048 1.00 1.13 C ATOM 49 CD LYS A 3 1.919 5.898 -6.698 1.00 64.55 C ATOM 50 CE LYS A 3 2.966 4.851 -7.047 1.00 24.34 C ATOM 51 NZ LYS A 3 2.749 3.579 -6.302 1.00 53.42 N ATOM 0 H LYS A 3 -1.869 4.286 -6.215 1.00 52.01 H new ATOM 0 HA LYS A 3 -0.270 5.807 -4.424 1.00 34.03 H new ATOM 0 HB2 LYS A 3 -1.364 6.424 -7.198 1.00 1.45 H new ATOM 0 HB3 LYS A 3 -0.120 7.352 -6.384 1.00 1.45 H new ATOM 0 HG2 LYS A 3 0.367 4.416 -6.656 1.00 1.13 H new ATOM 0 HG3 LYS A 3 0.414 5.361 -8.131 1.00 1.13 H new ATOM 0 HD2 LYS A 3 2.135 6.823 -7.233 1.00 64.55 H new ATOM 0 HD3 LYS A 3 1.972 6.126 -5.633 1.00 64.55 H new ATOM 0 HE2 LYS A 3 2.939 4.653 -8.119 1.00 24.34 H new ATOM 0 HE3 LYS A 3 3.958 5.240 -6.820 1.00 24.34 H new ATOM 0 HZ1 LYS A 3 3.639 3.043 -6.263 1.00 53.42 H new ATOM 0 HZ2 LYS A 3 2.431 3.793 -5.335 1.00 53.42 H new ATOM 0 HZ3 LYS A 3 2.024 3.012 -6.787 1.00 53.42 H new ATOM 65 N TRP A 4 -1.774 7.478 -3.416 1.00 30.24 N ATOM 66 CA TRP A 4 -2.625 8.488 -2.796 1.00 60.43 C ATOM 67 C TRP A 4 -2.314 9.874 -3.348 1.00 3.51 C ATOM 68 O TRP A 4 -3.099 10.807 -3.187 1.00 53.50 O ATOM 69 CB TRP A 4 -2.442 8.476 -1.278 1.00 14.33 C ATOM 70 CG TRP A 4 -3.211 7.385 -0.595 1.00 44.41 C ATOM 71 CD1 TRP A 4 -2.741 6.154 -0.235 1.00 14.42 C ATOM 72 CD2 TRP A 4 -4.584 7.427 -0.193 1.00 71.10 C ATOM 73 NE1 TRP A 4 -3.741 5.428 0.367 1.00 4.20 N ATOM 74 CE2 TRP A 4 -4.881 6.187 0.406 1.00 64.34 C ATOM 75 CE3 TRP A 4 -5.592 8.391 -0.278 1.00 43.44 C ATOM 76 CZ2 TRP A 4 -6.142 5.888 0.914 1.00 51.34 C ATOM 77 CZ3 TRP A 4 -6.843 8.094 0.226 1.00 73.41 C ATOM 78 CH2 TRP A 4 -7.110 6.851 0.817 1.00 43.15 C ATOM 0 H TRP A 4 -0.951 7.226 -2.868 1.00 30.24 H new ATOM 0 HA TRP A 4 -3.662 8.249 -3.031 1.00 60.43 H new ATOM 0 HB2 TRP A 4 -1.383 8.363 -1.048 1.00 14.33 H new ATOM 0 HB3 TRP A 4 -2.755 9.439 -0.874 1.00 14.33 H new ATOM 0 HD1 TRP A 4 -1.733 5.803 -0.399 1.00 14.42 H new ATOM 0 HE1 TRP A 4 -3.649 4.478 0.727 1.00 4.20 H new ATOM 0 HE3 TRP A 4 -5.396 9.352 -0.730 1.00 43.44 H new ATOM 0 HZ2 TRP A 4 -6.349 4.930 1.368 1.00 51.34 H new ATOM 0 HZ3 TRP A 4 -7.629 8.832 0.164 1.00 73.41 H new ATOM 0 HH2 TRP A 4 -8.098 6.649 1.203 1.00 43.15 H new ATOM 89 N GLY A 5 -1.162 10.003 -4.000 1.00 22.04 N ATOM 90 CA GLY A 5 -0.768 11.280 -4.565 1.00 41.10 C ATOM 91 C GLY A 5 -1.846 11.882 -5.444 1.00 42.14 C ATOM 92 O GLY A 5 -1.970 13.103 -5.539 1.00 55.34 O ATOM 0 H GLY A 5 -0.495 9.246 -4.147 1.00 22.04 H new ATOM 0 HA2 GLY A 5 -0.532 11.974 -3.758 1.00 41.10 H new ATOM 0 HA3 GLY A 5 0.143 11.150 -5.150 1.00 41.10 H new ATOM 96 N LYS A 6 -2.627 11.024 -6.091 1.00 70.24 N ATOM 97 CA LYS A 6 -3.700 11.477 -6.969 1.00 32.55 C ATOM 98 C LYS A 6 -4.724 12.300 -6.195 1.00 14.44 C ATOM 99 O LYS A 6 -5.157 13.360 -6.651 1.00 25.13 O ATOM 100 CB LYS A 6 -4.387 10.279 -7.628 1.00 70.43 C ATOM 101 CG LYS A 6 -4.901 9.250 -6.636 1.00 64.42 C ATOM 102 CD LYS A 6 -5.041 7.879 -7.277 1.00 73.00 C ATOM 103 CE LYS A 6 -6.356 7.748 -8.030 1.00 53.32 C ATOM 104 NZ LYS A 6 -6.157 7.793 -9.505 1.00 74.53 N ATOM 0 H LYS A 6 -2.537 10.010 -6.024 1.00 70.24 H new ATOM 0 HA LYS A 6 -3.262 12.108 -7.742 1.00 32.55 H new ATOM 0 HB2 LYS A 6 -5.221 10.636 -8.232 1.00 70.43 H new ATOM 0 HB3 LYS A 6 -3.684 9.797 -8.308 1.00 70.43 H new ATOM 0 HG2 LYS A 6 -4.219 9.188 -5.788 1.00 64.42 H new ATOM 0 HG3 LYS A 6 -5.867 9.570 -6.245 1.00 64.42 H new ATOM 0 HD2 LYS A 6 -4.210 7.710 -7.962 1.00 73.00 H new ATOM 0 HD3 LYS A 6 -4.982 7.109 -6.508 1.00 73.00 H new ATOM 0 HE2 LYS A 6 -6.839 6.810 -7.757 1.00 53.32 H new ATOM 0 HE3 LYS A 6 -7.028 8.552 -7.729 1.00 53.32 H new ATOM 0 HZ1 LYS A 6 -7.076 7.701 -9.982 1.00 74.53 H new ATOM 0 HZ2 LYS A 6 -5.719 8.699 -9.769 1.00 74.53 H new ATOM 0 HZ3 LYS A 6 -5.536 7.011 -9.796 1.00 74.53 H new ATOM 118 N LEU A 7 -5.108 11.808 -5.022 1.00 10.52 N ATOM 119 CA LEU A 7 -6.081 12.500 -4.183 1.00 42.32 C ATOM 120 C LEU A 7 -5.457 13.727 -3.525 1.00 33.24 C ATOM 121 O LEU A 7 -6.056 14.802 -3.498 1.00 52.22 O ATOM 122 CB LEU A 7 -6.625 11.554 -3.112 1.00 72.52 C ATOM 123 CG LEU A 7 -8.148 11.451 -3.018 1.00 40.02 C ATOM 124 CD1 LEU A 7 -8.551 10.263 -2.158 1.00 41.23 C ATOM 125 CD2 LEU A 7 -8.736 12.739 -2.461 1.00 2.23 C ATOM 0 H LEU A 7 -4.761 10.933 -4.630 1.00 10.52 H new ATOM 0 HA LEU A 7 -6.903 12.830 -4.819 1.00 42.32 H new ATOM 0 HB2 LEU A 7 -6.224 10.558 -3.298 1.00 72.52 H new ATOM 0 HB3 LEU A 7 -6.242 11.875 -2.143 1.00 72.52 H new ATOM 0 HG LEU A 7 -8.545 11.298 -4.021 1.00 40.02 H new ATOM 0 HD11 LEU A 7 -9.638 10.206 -2.103 1.00 41.23 H new ATOM 0 HD12 LEU A 7 -8.161 9.346 -2.599 1.00 41.23 H new ATOM 0 HD13 LEU A 7 -8.143 10.385 -1.155 1.00 41.23 H new ATOM 0 HD21 LEU A 7 -9.821 12.648 -2.401 1.00 2.23 H new ATOM 0 HD22 LEU A 7 -8.332 12.923 -1.466 1.00 2.23 H new ATOM 0 HD23 LEU A 7 -8.478 13.570 -3.117 1.00 2.23 H new ATOM 137 N PHE A 8 -4.250 13.558 -2.995 1.00 50.34 N ATOM 138 CA PHE A 8 -3.544 14.652 -2.338 1.00 32.13 C ATOM 139 C PHE A 8 -3.314 15.810 -3.304 1.00 63.34 C ATOM 140 O PHE A 8 -3.501 16.974 -2.951 1.00 73.05 O ATOM 141 CB PHE A 8 -2.205 14.162 -1.782 1.00 73.04 C ATOM 142 CG PHE A 8 -2.011 14.472 -0.326 1.00 30.23 C ATOM 143 CD1 PHE A 8 -2.857 13.932 0.630 1.00 70.03 C ATOM 144 CD2 PHE A 8 -0.982 15.302 0.088 1.00 13.44 C ATOM 145 CE1 PHE A 8 -2.681 14.216 1.971 1.00 41.22 C ATOM 146 CE2 PHE A 8 -0.801 15.590 1.428 1.00 21.22 C ATOM 147 CZ PHE A 8 -1.651 15.045 2.371 1.00 41.14 C ATOM 0 H PHE A 8 -3.741 12.674 -3.008 1.00 50.34 H new ATOM 0 HA PHE A 8 -4.163 15.008 -1.514 1.00 32.13 H new ATOM 0 HB2 PHE A 8 -2.132 13.084 -1.929 1.00 73.04 H new ATOM 0 HB3 PHE A 8 -1.395 14.617 -2.353 1.00 73.04 H new ATOM 0 HD1 PHE A 8 -3.663 13.282 0.323 1.00 70.03 H new ATOM 0 HD2 PHE A 8 -0.313 15.729 -0.645 1.00 13.44 H new ATOM 0 HE1 PHE A 8 -3.348 13.790 2.706 1.00 41.22 H new ATOM 0 HE2 PHE A 8 0.004 16.240 1.737 1.00 21.22 H new ATOM 0 HZ PHE A 8 -1.510 15.267 3.419 1.00 41.14 H new ATOM 157 N SER A 9 -2.905 15.481 -4.526 1.00 31.33 N ATOM 158 CA SER A 9 -2.644 16.492 -5.543 1.00 12.40 C ATOM 159 C SER A 9 -3.947 17.115 -6.037 1.00 22.50 C ATOM 160 O SER A 9 -4.112 18.335 -6.019 1.00 74.24 O ATOM 161 CB SER A 9 -1.881 15.879 -6.718 1.00 42.24 C ATOM 162 OG SER A 9 -1.634 16.845 -7.726 1.00 34.31 O ATOM 0 H SER A 9 -2.747 14.522 -4.835 1.00 31.33 H new ATOM 0 HA SER A 9 -2.035 17.276 -5.093 1.00 12.40 H new ATOM 0 HB2 SER A 9 -0.936 15.466 -6.366 1.00 42.24 H new ATOM 0 HB3 SER A 9 -2.454 15.051 -7.136 1.00 42.24 H new ATOM 0 HG SER A 9 -1.144 16.428 -8.465 1.00 34.31 H new ATOM 168 N THR A 10 -4.871 16.266 -6.478 1.00 45.22 N ATOM 169 CA THR A 10 -6.158 16.731 -6.978 1.00 71.35 C ATOM 170 C THR A 10 -6.875 17.587 -5.941 1.00 4.31 C ATOM 171 O THR A 10 -7.482 18.604 -6.274 1.00 52.23 O ATOM 172 CB THR A 10 -7.068 15.551 -7.370 1.00 24.31 C ATOM 173 OG1 THR A 10 -6.449 14.778 -8.404 1.00 60.52 O ATOM 174 CG2 THR A 10 -8.425 16.048 -7.844 1.00 61.31 C ATOM 0 H THR A 10 -4.751 15.253 -6.499 1.00 45.22 H new ATOM 0 HA THR A 10 -5.953 17.333 -7.863 1.00 71.35 H new ATOM 0 HB THR A 10 -7.216 14.926 -6.489 1.00 24.31 H new ATOM 0 HG1 THR A 10 -5.700 14.270 -8.029 1.00 60.52 H new ATOM 0 HG21 THR A 10 -9.050 15.197 -8.115 1.00 61.31 H new ATOM 0 HG22 THR A 10 -8.906 16.611 -7.044 1.00 61.31 H new ATOM 0 HG23 THR A 10 -8.293 16.693 -8.713 1.00 61.31 H new ATOM 182 N ALA A 11 -6.799 17.170 -4.681 1.00 44.04 N ATOM 183 CA ALA A 11 -7.438 17.901 -3.594 1.00 41.25 C ATOM 184 C ALA A 11 -6.733 19.228 -3.336 1.00 44.32 C ATOM 185 O ALA A 11 -7.372 20.277 -3.250 1.00 60.04 O ATOM 186 CB ALA A 11 -7.457 17.056 -2.329 1.00 44.33 C ATOM 0 H ALA A 11 -6.301 16.329 -4.388 1.00 44.04 H new ATOM 0 HA ALA A 11 -8.465 18.117 -3.889 1.00 41.25 H new ATOM 0 HB1 ALA A 11 -7.937 17.615 -1.526 1.00 44.33 H new ATOM 0 HB2 ALA A 11 -8.012 16.137 -2.514 1.00 44.33 H new ATOM 0 HB3 ALA A 11 -6.435 16.811 -2.040 1.00 44.33 H new ATOM 192 N LYS A 12 -5.411 19.176 -3.212 1.00 43.11 N ATOM 193 CA LYS A 12 -4.617 20.374 -2.964 1.00 32.10 C ATOM 194 C LYS A 12 -4.835 21.408 -4.064 1.00 0.34 C ATOM 195 O LYS A 12 -4.924 22.606 -3.794 1.00 52.55 O ATOM 196 CB LYS A 12 -3.132 20.017 -2.872 1.00 61.42 C ATOM 197 CG LYS A 12 -2.663 19.725 -1.457 1.00 61.33 C ATOM 198 CD LYS A 12 -2.662 20.979 -0.600 1.00 50.31 C ATOM 199 CE LYS A 12 -1.552 20.943 0.439 1.00 12.34 C ATOM 200 NZ LYS A 12 -1.579 19.685 1.236 1.00 44.24 N ATOM 0 H LYS A 12 -4.866 18.316 -3.279 1.00 43.11 H new ATOM 0 HA LYS A 12 -4.940 20.804 -2.016 1.00 32.10 H new ATOM 0 HB2 LYS A 12 -2.937 19.146 -3.497 1.00 61.42 H new ATOM 0 HB3 LYS A 12 -2.543 20.839 -3.278 1.00 61.42 H new ATOM 0 HG2 LYS A 12 -3.312 18.975 -1.005 1.00 61.33 H new ATOM 0 HG3 LYS A 12 -1.659 19.302 -1.486 1.00 61.33 H new ATOM 0 HD2 LYS A 12 -2.538 21.856 -1.236 1.00 50.31 H new ATOM 0 HD3 LYS A 12 -3.626 21.081 -0.101 1.00 50.31 H new ATOM 0 HE2 LYS A 12 -0.586 21.038 -0.058 1.00 12.34 H new ATOM 0 HE3 LYS A 12 -1.652 21.798 1.107 1.00 12.34 H new ATOM 0 HZ1 LYS A 12 -0.935 19.775 2.048 1.00 44.24 H new ATOM 0 HZ2 LYS A 12 -2.546 19.511 1.578 1.00 44.24 H new ATOM 0 HZ3 LYS A 12 -1.275 18.889 0.639 1.00 44.24 H new ATOM 214 N LYS A 13 -4.921 20.938 -5.303 1.00 53.13 N ATOM 215 CA LYS A 13 -5.132 21.821 -6.444 1.00 43.32 C ATOM 216 C LYS A 13 -6.533 22.422 -6.416 1.00 15.00 C ATOM 217 O LYS A 13 -6.699 23.641 -6.478 1.00 41.14 O ATOM 218 CB LYS A 13 -4.919 21.057 -7.753 1.00 11.11 C ATOM 219 CG LYS A 13 -5.470 21.775 -8.973 1.00 5.21 C ATOM 220 CD LYS A 13 -6.887 21.329 -9.290 1.00 50.22 C ATOM 221 CE LYS A 13 -6.976 20.692 -10.669 1.00 4.44 C ATOM 222 NZ LYS A 13 -6.371 19.332 -10.691 1.00 30.31 N ATOM 0 H LYS A 13 -4.848 19.949 -5.543 1.00 53.13 H new ATOM 0 HA LYS A 13 -4.407 22.632 -6.382 1.00 43.32 H new ATOM 0 HB2 LYS A 13 -3.852 20.885 -7.894 1.00 11.11 H new ATOM 0 HB3 LYS A 13 -5.392 20.078 -7.674 1.00 11.11 H new ATOM 0 HG2 LYS A 13 -5.457 22.851 -8.800 1.00 5.21 H new ATOM 0 HG3 LYS A 13 -4.826 21.582 -9.831 1.00 5.21 H new ATOM 0 HD2 LYS A 13 -7.222 20.616 -8.537 1.00 50.22 H new ATOM 0 HD3 LYS A 13 -7.559 22.186 -9.240 1.00 50.22 H new ATOM 0 HE2 LYS A 13 -8.021 20.630 -10.974 1.00 4.44 H new ATOM 0 HE3 LYS A 13 -6.469 21.327 -11.396 1.00 4.44 H new ATOM 0 HZ1 LYS A 13 -6.451 18.932 -11.648 1.00 30.31 H new ATOM 0 HZ2 LYS A 13 -5.368 19.394 -10.425 1.00 30.31 H new ATOM 0 HZ3 LYS A 13 -6.871 18.719 -10.016 1.00 30.31 H new ATOM 236 N LEU A 14 -7.540 21.560 -6.320 1.00 43.02 N ATOM 237 CA LEU A 14 -8.928 22.006 -6.282 1.00 31.01 C ATOM 238 C LEU A 14 -9.139 23.035 -5.176 1.00 34.44 C ATOM 239 O LEU A 14 -9.870 24.010 -5.352 1.00 44.11 O ATOM 240 CB LEU A 14 -9.862 20.813 -6.070 1.00 1.12 C ATOM 241 CG LEU A 14 -10.686 20.381 -7.283 1.00 43.45 C ATOM 242 CD1 LEU A 14 -11.414 19.078 -6.998 1.00 33.53 C ATOM 243 CD2 LEU A 14 -11.673 21.472 -7.673 1.00 71.10 C ATOM 0 H LEU A 14 -7.421 20.548 -6.267 1.00 43.02 H new ATOM 0 HA LEU A 14 -9.160 22.475 -7.238 1.00 31.01 H new ATOM 0 HB2 LEU A 14 -9.264 19.963 -5.741 1.00 1.12 H new ATOM 0 HB3 LEU A 14 -10.548 21.054 -5.258 1.00 1.12 H new ATOM 0 HG LEU A 14 -10.007 20.217 -8.120 1.00 43.45 H new ATOM 0 HD11 LEU A 14 -11.995 18.787 -7.873 1.00 33.53 H new ATOM 0 HD12 LEU A 14 -10.688 18.298 -6.769 1.00 33.53 H new ATOM 0 HD13 LEU A 14 -12.082 19.213 -6.147 1.00 33.53 H new ATOM 0 HD21 LEU A 14 -12.251 21.147 -8.538 1.00 71.10 H new ATOM 0 HD22 LEU A 14 -12.347 21.668 -6.839 1.00 71.10 H new ATOM 0 HD23 LEU A 14 -11.129 22.383 -7.921 1.00 71.10 H new ATOM 255 N TYR A 15 -8.494 22.811 -4.036 1.00 51.13 N ATOM 256 CA TYR A 15 -8.611 23.718 -2.901 1.00 13.41 C ATOM 257 C TYR A 15 -7.945 25.057 -3.202 1.00 52.44 C ATOM 258 O TYR A 15 -8.581 26.110 -3.139 1.00 74.42 O ATOM 259 CB TYR A 15 -7.983 23.093 -1.654 1.00 71.24 C ATOM 260 CG TYR A 15 -7.872 24.048 -0.488 1.00 15.24 C ATOM 261 CD1 TYR A 15 -8.960 24.292 0.342 1.00 61.20 C ATOM 262 CD2 TYR A 15 -6.680 24.706 -0.214 1.00 44.54 C ATOM 263 CE1 TYR A 15 -8.863 25.164 1.408 1.00 14.45 C ATOM 264 CE2 TYR A 15 -6.573 25.580 0.851 1.00 75.31 C ATOM 265 CZ TYR A 15 -7.668 25.806 1.659 1.00 72.30 C ATOM 266 OH TYR A 15 -7.568 26.675 2.721 1.00 25.43 O ATOM 0 H TYR A 15 -7.885 22.009 -3.874 1.00 51.13 H new ATOM 0 HA TYR A 15 -9.671 23.893 -2.717 1.00 13.41 H new ATOM 0 HB2 TYR A 15 -8.578 22.231 -1.351 1.00 71.24 H new ATOM 0 HB3 TYR A 15 -6.989 22.722 -1.905 1.00 71.24 H new ATOM 0 HD1 TYR A 15 -9.897 23.791 0.150 1.00 61.20 H new ATOM 0 HD2 TYR A 15 -5.821 24.531 -0.845 1.00 44.54 H new ATOM 0 HE1 TYR A 15 -9.719 25.343 2.042 1.00 14.45 H new ATOM 0 HE2 TYR A 15 -5.638 26.083 1.049 1.00 75.31 H new ATOM 0 HH TYR A 15 -6.660 27.042 2.759 1.00 25.43 H new ATOM 276 N LYS A 16 -6.659 25.010 -3.532 1.00 22.25 N ATOM 277 CA LYS A 16 -5.904 26.217 -3.846 1.00 23.15 C ATOM 278 C LYS A 16 -6.580 27.007 -4.961 1.00 52.02 C ATOM 279 O LYS A 16 -6.934 28.173 -4.784 1.00 61.02 O ATOM 280 CB LYS A 16 -4.474 25.857 -4.256 1.00 30.32 C ATOM 281 CG LYS A 16 -3.417 26.379 -3.299 1.00 23.15 C ATOM 282 CD LYS A 16 -2.517 25.261 -2.798 1.00 11.41 C ATOM 283 CE LYS A 16 -1.474 24.877 -3.837 1.00 15.43 C ATOM 284 NZ LYS A 16 -0.233 24.347 -3.207 1.00 55.02 N ATOM 0 H LYS A 16 -6.117 24.148 -3.589 1.00 22.25 H new ATOM 0 HA LYS A 16 -5.873 26.839 -2.951 1.00 23.15 H new ATOM 0 HB2 LYS A 16 -4.387 24.773 -4.324 1.00 30.32 H new ATOM 0 HB3 LYS A 16 -4.279 26.256 -5.252 1.00 30.32 H new ATOM 0 HG2 LYS A 16 -2.814 27.136 -3.800 1.00 23.15 H new ATOM 0 HG3 LYS A 16 -3.900 26.866 -2.452 1.00 23.15 H new ATOM 0 HD2 LYS A 16 -2.020 25.576 -1.881 1.00 11.41 H new ATOM 0 HD3 LYS A 16 -3.122 24.389 -2.549 1.00 11.41 H new ATOM 0 HE2 LYS A 16 -1.890 24.126 -4.509 1.00 15.43 H new ATOM 0 HE3 LYS A 16 -1.229 25.748 -4.445 1.00 15.43 H new ATOM 0 HZ1 LYS A 16 0.453 24.097 -3.948 1.00 55.02 H new ATOM 0 HZ2 LYS A 16 0.178 25.073 -2.586 1.00 55.02 H new ATOM 0 HZ3 LYS A 16 -0.462 23.501 -2.647 1.00 55.02 H new ATOM 298 N LYS A 17 -6.759 26.365 -6.111 1.00 22.45 N ATOM 299 CA LYS A 17 -7.396 27.006 -7.255 1.00 25.41 C ATOM 300 C LYS A 17 -8.772 27.545 -6.880 1.00 74.52 C ATOM 301 O LYS A 17 -9.076 28.714 -7.112 1.00 72.12 O ATOM 302 CB LYS A 17 -7.522 26.015 -8.415 1.00 11.41 C ATOM 303 CG LYS A 17 -6.256 25.884 -9.243 1.00 62.13 C ATOM 304 CD LYS A 17 -6.537 26.070 -10.725 1.00 21.21 C ATOM 305 CE LYS A 17 -5.490 25.375 -11.582 1.00 42.43 C ATOM 306 NZ LYS A 17 -5.259 26.094 -12.866 1.00 23.10 N ATOM 0 H LYS A 17 -6.471 25.400 -6.275 1.00 22.45 H new ATOM 0 HA LYS A 17 -6.771 27.843 -7.566 1.00 25.41 H new ATOM 0 HB2 LYS A 17 -7.789 25.036 -8.018 1.00 11.41 H new ATOM 0 HB3 LYS A 17 -8.339 26.330 -9.064 1.00 11.41 H new ATOM 0 HG2 LYS A 17 -5.527 26.625 -8.914 1.00 62.13 H new ATOM 0 HG3 LYS A 17 -5.811 24.903 -9.076 1.00 62.13 H new ATOM 0 HD2 LYS A 17 -7.524 25.673 -10.962 1.00 21.21 H new ATOM 0 HD3 LYS A 17 -6.555 27.134 -10.962 1.00 21.21 H new ATOM 0 HE2 LYS A 17 -4.553 25.309 -11.029 1.00 42.43 H new ATOM 0 HE3 LYS A 17 -5.810 24.354 -11.790 1.00 42.43 H new ATOM 0 HZ1 LYS A 17 -4.539 25.589 -13.422 1.00 23.10 H new ATOM 0 HZ2 LYS A 17 -6.147 26.135 -13.406 1.00 23.10 H new ATOM 0 HZ3 LYS A 17 -4.929 27.060 -12.668 1.00 23.10 H new ATOM 320 N GLY A 18 -9.602 26.684 -6.298 1.00 23.32 N ATOM 321 CA GLY A 18 -10.936 27.093 -5.899 1.00 62.21 C ATOM 322 C GLY A 18 -10.926 28.334 -5.029 1.00 22.10 C ATOM 323 O GLY A 18 -11.560 29.337 -5.357 1.00 70.11 O ATOM 0 H GLY A 18 -9.374 25.711 -6.096 1.00 23.32 H new ATOM 0 HA2 GLY A 18 -11.536 27.282 -6.789 1.00 62.21 H new ATOM 0 HA3 GLY A 18 -11.416 26.278 -5.358 1.00 62.21 H new ATOM 327 N LYS A 19 -10.205 28.267 -3.915 1.00 14.55 N ATOM 328 CA LYS A 19 -10.115 29.394 -2.993 1.00 60.20 C ATOM 329 C LYS A 19 -9.716 30.669 -3.729 1.00 61.44 C ATOM 330 O LYS A 19 -10.424 31.674 -3.680 1.00 12.41 O ATOM 331 CB LYS A 19 -9.102 29.093 -1.886 1.00 11.42 C ATOM 332 CG LYS A 19 -9.438 29.752 -0.559 1.00 41.42 C ATOM 333 CD LYS A 19 -8.416 30.814 -0.189 1.00 42.25 C ATOM 334 CE LYS A 19 -7.411 30.291 0.825 1.00 2.24 C ATOM 335 NZ LYS A 19 -8.069 29.879 2.096 1.00 10.31 N ATOM 0 H LYS A 19 -9.674 27.444 -3.628 1.00 14.55 H new ATOM 0 HA LYS A 19 -11.098 29.546 -2.547 1.00 60.20 H new ATOM 0 HB2 LYS A 19 -9.044 28.014 -1.742 1.00 11.42 H new ATOM 0 HB3 LYS A 19 -8.115 29.426 -2.208 1.00 11.42 H new ATOM 0 HG2 LYS A 19 -10.429 30.203 -0.616 1.00 41.42 H new ATOM 0 HG3 LYS A 19 -9.477 28.995 0.224 1.00 41.42 H new ATOM 0 HD2 LYS A 19 -7.892 31.144 -1.086 1.00 42.25 H new ATOM 0 HD3 LYS A 19 -8.927 31.686 0.220 1.00 42.25 H new ATOM 0 HE2 LYS A 19 -6.876 29.441 0.401 1.00 2.24 H new ATOM 0 HE3 LYS A 19 -6.670 31.063 1.033 1.00 2.24 H new ATOM 0 HZ1 LYS A 19 -7.628 30.380 2.894 1.00 10.31 H new ATOM 0 HZ2 LYS A 19 -9.081 30.115 2.056 1.00 10.31 H new ATOM 0 HZ3 LYS A 19 -7.958 28.853 2.228 1.00 10.31 H new ATOM 349 N LYS A 20 -8.578 30.620 -4.414 1.00 21.45 N ATOM 350 CA LYS A 20 -8.085 31.769 -5.163 1.00 51.01 C ATOM 351 C LYS A 20 -9.141 32.274 -6.141 1.00 50.02 C ATOM 352 O LYS A 20 -9.340 33.481 -6.287 1.00 70.24 O ATOM 353 CB LYS A 20 -6.808 31.400 -5.921 1.00 3.21 C ATOM 354 CG LYS A 20 -5.553 31.473 -5.069 1.00 25.34 C ATOM 355 CD LYS A 20 -4.589 32.529 -5.583 1.00 54.30 C ATOM 356 CE LYS A 20 -3.247 32.454 -4.871 1.00 72.04 C ATOM 357 NZ LYS A 20 -2.113 32.732 -5.796 1.00 31.54 N ATOM 0 H LYS A 20 -7.980 29.796 -4.465 1.00 21.45 H new ATOM 0 HA LYS A 20 -7.861 32.565 -4.453 1.00 51.01 H new ATOM 0 HB2 LYS A 20 -6.910 30.390 -6.317 1.00 3.21 H new ATOM 0 HB3 LYS A 20 -6.697 32.068 -6.775 1.00 3.21 H new ATOM 0 HG2 LYS A 20 -5.825 31.699 -4.038 1.00 25.34 H new ATOM 0 HG3 LYS A 20 -5.060 30.501 -5.063 1.00 25.34 H new ATOM 0 HD2 LYS A 20 -4.441 32.397 -6.655 1.00 54.30 H new ATOM 0 HD3 LYS A 20 -5.023 33.519 -5.441 1.00 54.30 H new ATOM 0 HE2 LYS A 20 -3.231 33.171 -4.050 1.00 72.04 H new ATOM 0 HE3 LYS A 20 -3.123 31.464 -4.432 1.00 72.04 H new ATOM 0 HZ1 LYS A 20 -1.216 32.671 -5.273 1.00 31.54 H new ATOM 0 HZ2 LYS A 20 -2.113 32.033 -6.566 1.00 31.54 H new ATOM 0 HZ3 LYS A 20 -2.217 33.686 -6.196 1.00 31.54 H new ATOM 371 N LEU A 21 -9.816 31.344 -6.808 1.00 13.23 N ATOM 372 CA LEU A 21 -10.854 31.695 -7.771 1.00 42.32 C ATOM 373 C LEU A 21 -12.088 32.247 -7.065 1.00 53.03 C ATOM 374 O LEU A 21 -12.930 32.898 -7.684 1.00 11.33 O ATOM 375 CB LEU A 21 -11.235 30.473 -8.608 1.00 63.13 C ATOM 376 CG LEU A 21 -10.548 30.351 -9.969 1.00 51.02 C ATOM 377 CD1 LEU A 21 -9.525 29.226 -9.952 1.00 73.31 C ATOM 378 CD2 LEU A 21 -11.577 30.123 -11.067 1.00 62.40 C ATOM 0 H LEU A 21 -9.663 30.341 -6.700 1.00 13.23 H new ATOM 0 HA LEU A 21 -10.458 32.469 -8.429 1.00 42.32 H new ATOM 0 HB2 LEU A 21 -11.012 29.577 -8.029 1.00 63.13 H new ATOM 0 HB3 LEU A 21 -12.313 30.489 -8.768 1.00 63.13 H new ATOM 0 HG LEU A 21 -10.026 31.285 -10.176 1.00 51.02 H new ATOM 0 HD11 LEU A 21 -9.047 29.154 -10.929 1.00 73.31 H new ATOM 0 HD12 LEU A 21 -8.771 29.432 -9.193 1.00 73.31 H new ATOM 0 HD13 LEU A 21 -10.024 28.284 -9.722 1.00 73.31 H new ATOM 0 HD21 LEU A 21 -11.071 30.039 -12.028 1.00 62.40 H new ATOM 0 HD22 LEU A 21 -12.127 29.204 -10.865 1.00 62.40 H new ATOM 0 HD23 LEU A 21 -12.271 30.963 -11.095 1.00 62.40 H new ATOM 390 N SER A 22 -12.188 31.984 -5.766 1.00 71.43 N ATOM 391 CA SER A 22 -13.320 32.452 -4.976 1.00 54.51 C ATOM 392 C SER A 22 -13.127 33.907 -4.560 1.00 0.44 C ATOM 393 O SER A 22 -14.094 34.635 -4.333 1.00 71.20 O ATOM 394 CB SER A 22 -13.502 31.575 -3.736 1.00 52.01 C ATOM 395 OG SER A 22 -14.859 31.201 -3.571 1.00 20.15 O ATOM 0 H SER A 22 -11.498 31.449 -5.238 1.00 71.43 H new ATOM 0 HA SER A 22 -14.215 32.384 -5.594 1.00 54.51 H new ATOM 0 HB2 SER A 22 -12.883 30.682 -3.824 1.00 52.01 H new ATOM 0 HB3 SER A 22 -13.160 32.114 -2.852 1.00 52.01 H new ATOM 0 HG SER A 22 -15.433 31.983 -3.711 1.00 20.15 H new ATOM 401 N LYS A 23 -11.870 34.326 -4.461 1.00 23.44 N ATOM 402 CA LYS A 23 -11.546 35.693 -4.073 1.00 11.42 C ATOM 403 C LYS A 23 -11.217 36.543 -5.296 1.00 74.55 C ATOM 404 O LYS A 23 -10.385 37.446 -5.231 1.00 65.52 O ATOM 405 CB LYS A 23 -10.365 35.704 -3.100 1.00 32.45 C ATOM 406 CG LYS A 23 -10.685 35.087 -1.749 1.00 23.32 C ATOM 407 CD LYS A 23 -10.320 36.022 -0.608 1.00 64.03 C ATOM 408 CE LYS A 23 -8.822 36.286 -0.562 1.00 15.14 C ATOM 409 NZ LYS A 23 -8.436 37.078 0.639 1.00 52.43 N ATOM 0 H LYS A 23 -11.058 33.737 -4.645 1.00 23.44 H new ATOM 0 HA LYS A 23 -12.419 36.119 -3.580 1.00 11.42 H new ATOM 0 HB2 LYS A 23 -9.531 35.164 -3.548 1.00 32.45 H new ATOM 0 HB3 LYS A 23 -10.037 36.733 -2.952 1.00 32.45 H new ATOM 0 HG2 LYS A 23 -11.747 34.849 -1.699 1.00 23.32 H new ATOM 0 HG3 LYS A 23 -10.142 34.148 -1.639 1.00 23.32 H new ATOM 0 HD2 LYS A 23 -10.854 36.965 -0.724 1.00 64.03 H new ATOM 0 HD3 LYS A 23 -10.643 35.587 0.338 1.00 64.03 H new ATOM 0 HE2 LYS A 23 -8.286 35.337 -0.559 1.00 15.14 H new ATOM 0 HE3 LYS A 23 -8.519 36.821 -1.462 1.00 15.14 H new ATOM 0 HZ1 LYS A 23 -7.408 37.237 0.634 1.00 52.43 H new ATOM 0 HZ2 LYS A 23 -8.928 37.994 0.624 1.00 52.43 H new ATOM 0 HZ3 LYS A 23 -8.702 36.557 1.499 1.00 52.43 H new ATOM 423 N ASN A 24 -11.878 36.247 -6.411 1.00 54.11 N ATOM 424 CA ASN A 24 -11.657 36.985 -7.650 1.00 25.35 C ATOM 425 C ASN A 24 -12.918 37.732 -8.071 1.00 51.01 C ATOM 426 O ASN A 24 -13.928 37.715 -7.367 1.00 1.21 O ATOM 427 CB ASN A 24 -11.219 36.032 -8.764 1.00 25.34 C ATOM 428 CG ASN A 24 -9.869 36.405 -9.347 1.00 14.24 C ATOM 429 OD1 ASN A 24 -9.786 36.961 -10.442 1.00 15.21 O ATOM 430 ND2 ASN A 24 -8.804 36.100 -8.615 1.00 41.11 N ATOM 0 H ASN A 24 -12.571 35.502 -6.482 1.00 54.11 H new ATOM 0 HA ASN A 24 -10.867 37.714 -7.473 1.00 25.35 H new ATOM 0 HB2 ASN A 24 -11.174 35.016 -8.372 1.00 25.34 H new ATOM 0 HB3 ASN A 24 -11.967 36.035 -9.556 1.00 25.34 H new ATOM 0 HD21 ASN A 24 -7.869 36.327 -8.955 1.00 41.11 H new ATOM 0 HD22 ASN A 24 -8.920 35.639 -7.713 1.00 41.11 H new ATOM 437 N LYS A 25 -12.853 38.387 -9.225 1.00 52.12 N ATOM 438 CA LYS A 25 -13.990 39.140 -9.743 1.00 65.54 C ATOM 439 C LYS A 25 -15.077 38.200 -10.255 1.00 22.23 C ATOM 440 O LYS A 25 -16.266 38.497 -10.152 1.00 1.41 O ATOM 441 CB LYS A 25 -13.538 40.074 -10.868 1.00 14.41 C ATOM 442 CG LYS A 25 -13.053 41.427 -10.376 1.00 65.14 C ATOM 443 CD LYS A 25 -12.145 42.097 -11.394 1.00 51.13 C ATOM 444 CE LYS A 25 -10.724 42.235 -10.869 1.00 14.21 C ATOM 445 NZ LYS A 25 -9.745 42.451 -11.969 1.00 64.14 N ATOM 0 H LYS A 25 -12.025 38.412 -9.820 1.00 52.12 H new ATOM 0 HA LYS A 25 -14.403 39.735 -8.928 1.00 65.54 H new ATOM 0 HB2 LYS A 25 -12.737 39.592 -11.429 1.00 14.41 H new ATOM 0 HB3 LYS A 25 -14.367 40.224 -11.560 1.00 14.41 H new ATOM 0 HG2 LYS A 25 -13.910 42.070 -10.172 1.00 65.14 H new ATOM 0 HG3 LYS A 25 -12.517 41.302 -9.435 1.00 65.14 H new ATOM 0 HD2 LYS A 25 -12.138 41.515 -12.316 1.00 51.13 H new ATOM 0 HD3 LYS A 25 -12.540 43.082 -11.642 1.00 51.13 H new ATOM 0 HE2 LYS A 25 -10.675 43.070 -10.170 1.00 14.21 H new ATOM 0 HE3 LYS A 25 -10.453 41.337 -10.313 1.00 14.21 H new ATOM 0 HZ1 LYS A 25 -8.789 42.540 -11.570 1.00 64.14 H new ATOM 0 HZ2 LYS A 25 -9.774 41.643 -12.623 1.00 64.14 H new ATOM 0 HZ3 LYS A 25 -9.988 43.321 -12.484 1.00 64.14 H new ATOM 459 N ASN A 26 -14.660 37.064 -10.805 1.00 31.35 N ATOM 460 CA ASN A 26 -15.599 36.080 -11.331 1.00 33.11 C ATOM 461 C ASN A 26 -16.569 35.620 -10.247 1.00 74.30 C ATOM 462 O ASN A 26 -17.670 35.153 -10.541 1.00 52.43 O ATOM 463 CB ASN A 26 -14.844 34.877 -11.900 1.00 33.35 C ATOM 464 CG ASN A 26 -14.374 35.109 -13.322 1.00 51.15 C ATOM 465 OD1 ASN A 26 -13.225 35.485 -13.555 1.00 11.12 O ATOM 466 ND2 ASN A 26 -15.263 34.886 -14.283 1.00 73.31 N ATOM 0 H ASN A 26 -13.679 36.802 -10.898 1.00 31.35 H new ATOM 0 HA ASN A 26 -16.172 36.552 -12.130 1.00 33.11 H new ATOM 0 HB2 ASN A 26 -13.984 34.659 -11.267 1.00 33.35 H new ATOM 0 HB3 ASN A 26 -15.490 34.000 -11.873 1.00 33.35 H new ATOM 0 HD21 ASN A 26 -15.004 35.026 -15.260 1.00 73.31 H new ATOM 0 HD22 ASN A 26 -16.205 34.575 -14.044 1.00 73.31 H new ATOM 473 N PHE A 27 -16.153 35.755 -8.992 1.00 73.42 N ATOM 474 CA PHE A 27 -16.985 35.353 -7.864 1.00 22.44 C ATOM 475 C PHE A 27 -18.361 36.006 -7.942 1.00 53.41 C ATOM 476 O PHE A 27 -19.350 35.460 -7.453 1.00 72.43 O ATOM 477 CB PHE A 27 -16.305 35.725 -6.544 1.00 74.22 C ATOM 478 CG PHE A 27 -16.800 34.929 -5.370 1.00 11.50 C ATOM 479 CD1 PHE A 27 -16.846 33.546 -5.423 1.00 62.25 C ATOM 480 CD2 PHE A 27 -17.220 35.566 -4.213 1.00 22.31 C ATOM 481 CE1 PHE A 27 -17.300 32.811 -4.345 1.00 31.24 C ATOM 482 CE2 PHE A 27 -17.675 34.836 -3.131 1.00 4.12 C ATOM 483 CZ PHE A 27 -17.716 33.457 -3.197 1.00 50.11 C ATOM 0 H PHE A 27 -15.245 36.140 -8.731 1.00 73.42 H new ATOM 0 HA PHE A 27 -17.114 34.271 -7.907 1.00 22.44 H new ATOM 0 HB2 PHE A 27 -15.230 35.579 -6.645 1.00 74.22 H new ATOM 0 HB3 PHE A 27 -16.466 36.785 -6.348 1.00 74.22 H new ATOM 0 HD1 PHE A 27 -16.523 33.036 -6.318 1.00 62.25 H new ATOM 0 HD2 PHE A 27 -17.191 36.644 -4.156 1.00 22.31 H new ATOM 0 HE1 PHE A 27 -17.330 31.733 -4.400 1.00 31.24 H new ATOM 0 HE2 PHE A 27 -17.998 35.344 -2.234 1.00 4.12 H new ATOM 0 HZ PHE A 27 -18.072 32.885 -2.353 1.00 50.11 H new ATOM 493 N LYS A 28 -18.417 37.181 -8.560 1.00 52.24 N ATOM 494 CA LYS A 28 -19.671 37.911 -8.705 1.00 1.52 C ATOM 495 C LYS A 28 -20.596 37.214 -9.697 1.00 22.41 C ATOM 496 O LYS A 28 -21.788 37.047 -9.439 1.00 30.34 O ATOM 497 CB LYS A 28 -19.400 39.345 -9.166 1.00 4.31 C ATOM 498 CG LYS A 28 -20.556 39.968 -9.929 1.00 11.04 C ATOM 499 CD LYS A 28 -20.412 39.762 -11.427 1.00 64.50 C ATOM 500 CE LYS A 28 -20.231 41.084 -12.157 1.00 30.40 C ATOM 501 NZ LYS A 28 -20.130 40.894 -13.631 1.00 5.34 N ATOM 0 H LYS A 28 -17.608 37.648 -8.969 1.00 52.24 H new ATOM 0 HA LYS A 28 -20.162 37.935 -7.732 1.00 1.52 H new ATOM 0 HB2 LYS A 28 -19.176 39.961 -8.295 1.00 4.31 H new ATOM 0 HB3 LYS A 28 -18.512 39.353 -9.798 1.00 4.31 H new ATOM 0 HG2 LYS A 28 -21.495 39.530 -9.589 1.00 11.04 H new ATOM 0 HG3 LYS A 28 -20.604 41.035 -9.711 1.00 11.04 H new ATOM 0 HD2 LYS A 28 -19.557 39.115 -11.626 1.00 64.50 H new ATOM 0 HD3 LYS A 28 -21.295 39.251 -11.811 1.00 64.50 H new ATOM 0 HE2 LYS A 28 -21.071 41.741 -11.932 1.00 30.40 H new ATOM 0 HE3 LYS A 28 -19.332 41.580 -11.792 1.00 30.40 H new ATOM 0 HZ1 LYS A 28 -20.007 41.818 -14.093 1.00 5.34 H new ATOM 0 HZ2 LYS A 28 -19.313 40.288 -13.848 1.00 5.34 H new ATOM 0 HZ3 LYS A 28 -20.999 40.444 -13.983 1.00 5.34 H new ATOM 515 N LYS A 29 -20.039 36.806 -10.832 1.00 42.23 N ATOM 516 CA LYS A 29 -20.812 36.124 -11.863 1.00 33.53 C ATOM 517 C LYS A 29 -21.317 34.775 -11.360 1.00 72.10 C ATOM 518 O LYS A 29 -22.502 34.462 -11.477 1.00 43.21 O ATOM 519 CB LYS A 29 -19.963 35.926 -13.120 1.00 64.50 C ATOM 520 CG LYS A 29 -20.774 35.560 -14.351 1.00 22.31 C ATOM 521 CD LYS A 29 -20.913 36.740 -15.298 1.00 30.21 C ATOM 522 CE LYS A 29 -20.933 36.289 -16.751 1.00 1.54 C ATOM 523 NZ LYS A 29 -20.497 37.374 -17.673 1.00 61.25 N ATOM 0 H LYS A 29 -19.054 36.936 -11.061 1.00 42.23 H new ATOM 0 HA LYS A 29 -21.672 36.747 -12.108 1.00 33.53 H new ATOM 0 HB2 LYS A 29 -19.407 36.842 -13.321 1.00 64.50 H new ATOM 0 HB3 LYS A 29 -19.229 35.142 -12.933 1.00 64.50 H new ATOM 0 HG2 LYS A 29 -20.295 34.730 -14.870 1.00 22.31 H new ATOM 0 HG3 LYS A 29 -21.763 35.217 -14.048 1.00 22.31 H new ATOM 0 HD2 LYS A 29 -21.830 37.283 -15.072 1.00 30.21 H new ATOM 0 HD3 LYS A 29 -20.086 37.432 -15.142 1.00 30.21 H new ATOM 0 HE2 LYS A 29 -20.280 35.425 -16.872 1.00 1.54 H new ATOM 0 HE3 LYS A 29 -21.940 35.968 -17.018 1.00 1.54 H new ATOM 0 HZ1 LYS A 29 -20.524 37.028 -18.653 1.00 61.25 H new ATOM 0 HZ2 LYS A 29 -21.135 38.189 -17.576 1.00 61.25 H new ATOM 0 HZ3 LYS A 29 -19.527 37.663 -17.435 1.00 61.25 H new ATOM 537 N ALA A 30 -20.411 33.981 -10.799 1.00 33.40 N ATOM 538 CA ALA A 30 -20.766 32.667 -10.275 1.00 52.53 C ATOM 539 C ALA A 30 -21.794 32.783 -9.155 1.00 74.32 C ATOM 540 O ALA A 30 -22.796 32.066 -9.142 1.00 12.11 O ATOM 541 CB ALA A 30 -19.523 31.943 -9.781 1.00 30.12 C ATOM 0 H ALA A 30 -19.426 34.224 -10.696 1.00 33.40 H new ATOM 0 HA ALA A 30 -21.212 32.088 -11.084 1.00 52.53 H new ATOM 0 HB1 ALA A 30 -19.803 30.964 -9.393 1.00 30.12 H new ATOM 0 HB2 ALA A 30 -18.822 31.819 -10.606 1.00 30.12 H new ATOM 0 HB3 ALA A 30 -19.053 32.526 -8.990 1.00 30.12 H new ATOM 547 N LEU A 31 -21.541 33.688 -8.216 1.00 64.53 N ATOM 548 CA LEU A 31 -22.444 33.896 -7.090 1.00 55.25 C ATOM 549 C LEU A 31 -23.847 34.248 -7.576 1.00 60.02 C ATOM 550 O LEU A 31 -24.812 33.542 -7.284 1.00 15.11 O ATOM 551 CB LEU A 31 -21.913 35.007 -6.183 1.00 41.34 C ATOM 552 CG LEU A 31 -22.768 35.342 -4.961 1.00 1.23 C ATOM 553 CD1 LEU A 31 -22.727 34.204 -3.953 1.00 5.34 C ATOM 554 CD2 LEU A 31 -22.299 36.641 -4.321 1.00 63.04 C ATOM 0 H LEU A 31 -20.717 34.290 -8.212 1.00 64.53 H new ATOM 0 HA LEU A 31 -22.498 32.967 -6.522 1.00 55.25 H new ATOM 0 HB2 LEU A 31 -20.918 34.723 -5.839 1.00 41.34 H new ATOM 0 HB3 LEU A 31 -21.798 35.912 -6.780 1.00 41.34 H new ATOM 0 HG LEU A 31 -23.799 35.474 -5.288 1.00 1.23 H new ATOM 0 HD11 LEU A 31 -23.341 34.460 -3.090 1.00 5.34 H new ATOM 0 HD12 LEU A 31 -23.112 33.295 -4.415 1.00 5.34 H new ATOM 0 HD13 LEU A 31 -21.699 34.040 -3.631 1.00 5.34 H new ATOM 0 HD21 LEU A 31 -22.919 36.863 -3.453 1.00 63.04 H new ATOM 0 HD22 LEU A 31 -21.260 36.538 -4.008 1.00 63.04 H new ATOM 0 HD23 LEU A 31 -22.381 37.453 -5.043 1.00 63.04 H new ATOM 566 N LYS A 32 -23.952 35.343 -8.321 1.00 71.14 N ATOM 567 CA LYS A 32 -25.235 35.788 -8.852 1.00 33.22 C ATOM 568 C LYS A 32 -25.947 34.651 -9.578 1.00 54.11 C ATOM 569 O LYS A 32 -27.137 34.415 -9.367 1.00 12.21 O ATOM 570 CB LYS A 32 -25.035 36.969 -9.804 1.00 11.22 C ATOM 571 CG LYS A 32 -25.270 38.321 -9.153 1.00 3.31 C ATOM 572 CD LYS A 32 -26.725 38.745 -9.257 1.00 51.40 C ATOM 573 CE LYS A 32 -27.016 39.959 -8.388 1.00 5.40 C ATOM 574 NZ LYS A 32 -28.310 40.601 -8.747 1.00 14.42 N ATOM 0 H LYS A 32 -23.163 35.939 -8.571 1.00 71.14 H new ATOM 0 HA LYS A 32 -25.856 36.106 -8.014 1.00 33.22 H new ATOM 0 HB2 LYS A 32 -24.020 36.937 -10.201 1.00 11.22 H new ATOM 0 HB3 LYS A 32 -25.712 36.861 -10.651 1.00 11.22 H new ATOM 0 HG2 LYS A 32 -24.977 38.276 -8.104 1.00 3.31 H new ATOM 0 HG3 LYS A 32 -24.637 39.070 -9.629 1.00 3.31 H new ATOM 0 HD2 LYS A 32 -26.965 38.974 -10.295 1.00 51.40 H new ATOM 0 HD3 LYS A 32 -27.368 37.918 -8.956 1.00 51.40 H new ATOM 0 HE2 LYS A 32 -27.038 39.659 -7.340 1.00 5.40 H new ATOM 0 HE3 LYS A 32 -26.209 40.684 -8.495 1.00 5.40 H new ATOM 0 HZ1 LYS A 32 -28.472 41.424 -8.132 1.00 14.42 H new ATOM 0 HZ2 LYS A 32 -28.280 40.911 -9.739 1.00 14.42 H new ATOM 0 HZ3 LYS A 32 -29.084 39.917 -8.621 1.00 14.42 H new ATOM 588 N PHE A 33 -25.212 33.949 -10.433 1.00 63.24 N ATOM 589 CA PHE A 33 -25.773 32.836 -11.190 1.00 52.15 C ATOM 590 C PHE A 33 -26.443 31.828 -10.261 1.00 4.44 C ATOM 591 O PHE A 33 -27.647 31.591 -10.348 1.00 3.43 O ATOM 592 CB PHE A 33 -24.680 32.145 -12.008 1.00 71.21 C ATOM 593 CG PHE A 33 -24.819 32.350 -13.489 1.00 50.34 C ATOM 594 CD1 PHE A 33 -25.985 31.991 -14.146 1.00 13.53 C ATOM 595 CD2 PHE A 33 -23.783 32.902 -14.226 1.00 20.02 C ATOM 596 CE1 PHE A 33 -26.117 32.180 -15.509 1.00 24.42 C ATOM 597 CE2 PHE A 33 -23.909 33.093 -15.589 1.00 24.12 C ATOM 598 CZ PHE A 33 -25.076 32.730 -16.231 1.00 53.23 C ATOM 0 H PHE A 33 -24.226 34.131 -10.619 1.00 63.24 H new ATOM 0 HA PHE A 33 -26.527 33.235 -11.868 1.00 52.15 H new ATOM 0 HB2 PHE A 33 -23.707 32.518 -11.688 1.00 71.21 H new ATOM 0 HB3 PHE A 33 -24.698 31.076 -11.794 1.00 71.21 H new ATOM 0 HD1 PHE A 33 -26.801 31.558 -13.586 1.00 13.53 H new ATOM 0 HD2 PHE A 33 -22.867 33.186 -13.730 1.00 20.02 H new ATOM 0 HE1 PHE A 33 -27.032 31.898 -16.008 1.00 24.42 H new ATOM 0 HE2 PHE A 33 -23.095 33.526 -16.151 1.00 24.12 H new ATOM 0 HZ PHE A 33 -25.175 32.876 -17.297 1.00 53.23 H new ATOM 608 N GLY A 34 -25.652 31.237 -9.370 1.00 44.22 N ATOM 609 CA GLY A 34 -26.184 30.261 -8.437 1.00 51.42 C ATOM 610 C GLY A 34 -27.380 30.787 -7.668 1.00 71.14 C ATOM 611 O GLY A 34 -28.367 30.076 -7.479 1.00 12.03 O ATOM 0 H GLY A 34 -24.652 31.417 -9.278 1.00 44.22 H new ATOM 0 HA2 GLY A 34 -26.473 29.362 -8.982 1.00 51.42 H new ATOM 0 HA3 GLY A 34 -25.403 29.971 -7.734 1.00 51.42 H new ATOM 615 N LYS A 35 -27.293 32.035 -7.222 1.00 44.44 N ATOM 616 CA LYS A 35 -28.375 32.657 -6.469 1.00 32.10 C ATOM 617 C LYS A 35 -29.683 32.603 -7.252 1.00 14.34 C ATOM 618 O LYS A 35 -30.701 32.132 -6.745 1.00 1.15 O ATOM 619 CB LYS A 35 -28.026 34.110 -6.138 1.00 64.42 C ATOM 620 CG LYS A 35 -28.725 34.636 -4.897 1.00 1.01 C ATOM 621 CD LYS A 35 -27.795 34.646 -3.695 1.00 51.11 C ATOM 622 CE LYS A 35 -28.400 35.412 -2.529 1.00 32.04 C ATOM 623 NZ LYS A 35 -27.366 36.158 -1.759 1.00 34.33 N ATOM 0 H LYS A 35 -26.483 32.637 -7.369 1.00 44.44 H new ATOM 0 HA LYS A 35 -28.504 32.101 -5.540 1.00 32.10 H new ATOM 0 HB2 LYS A 35 -26.948 34.194 -6.000 1.00 64.42 H new ATOM 0 HB3 LYS A 35 -28.289 34.740 -6.987 1.00 64.42 H new ATOM 0 HG2 LYS A 35 -29.090 35.646 -5.084 1.00 1.01 H new ATOM 0 HG3 LYS A 35 -29.596 34.018 -4.679 1.00 1.01 H new ATOM 0 HD2 LYS A 35 -27.584 33.622 -3.388 1.00 51.11 H new ATOM 0 HD3 LYS A 35 -26.843 35.098 -3.974 1.00 51.11 H new ATOM 0 HE2 LYS A 35 -29.149 36.110 -2.903 1.00 32.04 H new ATOM 0 HE3 LYS A 35 -28.915 34.717 -1.866 1.00 32.04 H new ATOM 0 HZ1 LYS A 35 -27.818 36.667 -0.973 1.00 34.33 H new ATOM 0 HZ2 LYS A 35 -26.665 35.489 -1.381 1.00 34.33 H new ATOM 0 HZ3 LYS A 35 -26.891 36.839 -2.385 1.00 34.33 H new ATOM 637 N GLN A 36 -29.648 33.088 -8.489 1.00 22.32 N ATOM 638 CA GLN A 36 -30.831 33.094 -9.341 1.00 32.53 C ATOM 639 C GLN A 36 -31.246 31.672 -9.705 1.00 53.05 C ATOM 640 O GLN A 36 -32.434 31.379 -9.851 1.00 22.34 O ATOM 641 CB GLN A 36 -30.566 33.902 -10.612 1.00 14.22 C ATOM 642 CG GLN A 36 -31.556 35.036 -10.829 1.00 23.13 C ATOM 643 CD GLN A 36 -32.815 34.583 -11.540 1.00 54.22 C ATOM 644 OE1 GLN A 36 -32.895 33.456 -12.030 1.00 3.21 O ATOM 645 NE2 GLN A 36 -33.809 35.462 -11.601 1.00 75.51 N ATOM 0 H GLN A 36 -28.813 33.482 -8.923 1.00 22.32 H new ATOM 0 HA GLN A 36 -31.645 33.560 -8.786 1.00 32.53 H new ATOM 0 HB2 GLN A 36 -29.558 34.314 -10.567 1.00 14.22 H new ATOM 0 HB3 GLN A 36 -30.599 33.233 -11.472 1.00 14.22 H new ATOM 0 HG2 GLN A 36 -31.823 35.469 -9.865 1.00 23.13 H new ATOM 0 HG3 GLN A 36 -31.078 35.824 -11.411 1.00 23.13 H new ATOM 0 HE21 GLN A 36 -33.700 36.385 -11.181 1.00 75.51 H new ATOM 0 HE22 GLN A 36 -34.681 35.214 -12.068 1.00 75.51 H new ATOM 654 N LEU A 37 -30.261 30.793 -9.853 1.00 34.12 N ATOM 655 CA LEU A 37 -30.524 29.401 -10.201 1.00 72.22 C ATOM 656 C LEU A 37 -31.306 28.701 -9.094 1.00 70.33 C ATOM 657 O LEU A 37 -32.336 28.076 -9.348 1.00 25.02 O ATOM 658 CB LEU A 37 -29.210 28.662 -10.458 1.00 43.15 C ATOM 659 CG LEU A 37 -29.009 28.122 -11.875 1.00 14.01 C ATOM 660 CD1 LEU A 37 -30.197 27.270 -12.294 1.00 54.24 C ATOM 661 CD2 LEU A 37 -28.797 29.265 -12.857 1.00 14.34 C ATOM 0 H LEU A 37 -29.273 31.019 -9.737 1.00 34.12 H new ATOM 0 HA LEU A 37 -31.125 29.387 -11.110 1.00 72.22 H new ATOM 0 HB2 LEU A 37 -28.386 29.337 -10.228 1.00 43.15 H new ATOM 0 HB3 LEU A 37 -29.143 27.828 -9.760 1.00 43.15 H new ATOM 0 HG LEU A 37 -28.117 27.495 -11.881 1.00 14.01 H new ATOM 0 HD11 LEU A 37 -30.037 26.894 -13.305 1.00 54.24 H new ATOM 0 HD12 LEU A 37 -30.303 26.430 -11.607 1.00 54.24 H new ATOM 0 HD13 LEU A 37 -31.104 27.874 -12.271 1.00 54.24 H new ATOM 0 HD21 LEU A 37 -28.656 28.862 -13.860 1.00 14.34 H new ATOM 0 HD22 LEU A 37 -29.669 29.919 -12.848 1.00 14.34 H new ATOM 0 HD23 LEU A 37 -27.914 29.835 -12.567 1.00 14.34 H new ATOM 673 N ALA A 38 -30.811 28.812 -7.866 1.00 63.40 N ATOM 674 CA ALA A 38 -31.465 28.193 -6.720 1.00 30.12 C ATOM 675 C ALA A 38 -32.736 28.946 -6.340 1.00 44.15 C ATOM 676 O ALA A 38 -33.669 28.369 -5.782 1.00 60.15 O ATOM 677 CB ALA A 38 -30.511 28.134 -5.536 1.00 60.41 C ATOM 0 H ALA A 38 -29.959 29.325 -7.639 1.00 63.40 H new ATOM 0 HA ALA A 38 -31.745 27.177 -6.998 1.00 30.12 H new ATOM 0 HB1 ALA A 38 -31.013 27.669 -4.687 1.00 60.41 H new ATOM 0 HB2 ALA A 38 -29.633 27.546 -5.805 1.00 60.41 H new ATOM 0 HB3 ALA A 38 -30.203 29.144 -5.267 1.00 60.41 H new ATOM 683 N LYS A 39 -32.765 30.239 -6.646 1.00 21.11 N ATOM 684 CA LYS A 39 -33.921 31.072 -6.338 1.00 0.31 C ATOM 685 C LYS A 39 -35.195 30.473 -6.923 1.00 75.42 C ATOM 686 O LYS A 39 -36.285 30.658 -6.382 1.00 63.32 O ATOM 687 CB LYS A 39 -33.714 32.488 -6.881 1.00 74.14 C ATOM 688 CG LYS A 39 -33.512 33.532 -5.797 1.00 51.23 C ATOM 689 CD LYS A 39 -34.834 33.961 -5.182 1.00 62.23 C ATOM 690 CE LYS A 39 -34.936 33.533 -3.726 1.00 70.44 C ATOM 691 NZ LYS A 39 -34.502 34.614 -2.798 1.00 75.45 N ATOM 0 H LYS A 39 -32.001 30.732 -7.107 1.00 21.11 H new ATOM 0 HA LYS A 39 -34.027 31.117 -5.254 1.00 0.31 H new ATOM 0 HB2 LYS A 39 -32.848 32.491 -7.543 1.00 74.14 H new ATOM 0 HB3 LYS A 39 -34.578 32.766 -7.485 1.00 74.14 H new ATOM 0 HG2 LYS A 39 -32.862 33.130 -5.020 1.00 51.23 H new ATOM 0 HG3 LYS A 39 -33.006 34.401 -6.218 1.00 51.23 H new ATOM 0 HD2 LYS A 39 -34.935 35.044 -5.252 1.00 62.23 H new ATOM 0 HD3 LYS A 39 -35.658 33.527 -5.749 1.00 62.23 H new ATOM 0 HE2 LYS A 39 -35.965 33.253 -3.501 1.00 70.44 H new ATOM 0 HE3 LYS A 39 -34.322 32.647 -3.564 1.00 70.44 H new ATOM 0 HZ1 LYS A 39 -34.586 34.283 -1.816 1.00 75.45 H new ATOM 0 HZ2 LYS A 39 -33.512 34.864 -2.995 1.00 75.45 H new ATOM 0 HZ3 LYS A 39 -35.104 35.451 -2.934 1.00 75.45 H new ATOM 705 N ASN A 40 -35.051 29.752 -8.031 1.00 2.33 N ATOM 706 CA ASN A 40 -36.191 29.124 -8.689 1.00 0.54 C ATOM 707 C ASN A 40 -35.808 27.762 -9.258 1.00 20.32 C ATOM 708 O ASN A 40 -36.232 27.393 -10.354 1.00 31.01 O ATOM 709 CB ASN A 40 -36.721 30.025 -9.806 1.00 14.53 C ATOM 710 CG ASN A 40 -35.679 30.298 -10.873 1.00 2.13 C ATOM 711 OD1 ASN A 40 -35.467 29.484 -11.771 1.00 65.23 O ATOM 712 ND2 ASN A 40 -35.022 31.448 -10.778 1.00 12.52 N ATOM 0 H ASN A 40 -34.156 29.588 -8.492 1.00 2.33 H new ATOM 0 HA ASN A 40 -36.974 28.980 -7.945 1.00 0.54 H new ATOM 0 HB2 ASN A 40 -37.592 29.557 -10.264 1.00 14.53 H new ATOM 0 HB3 ASN A 40 -37.055 30.970 -9.379 1.00 14.53 H new ATOM 0 HD21 ASN A 40 -34.309 31.686 -11.467 1.00 12.52 H new ATOM 0 HD22 ASN A 40 -35.231 32.093 -10.016 1.00 12.52 H new ATOM 719 N LEU A 41 -35.004 27.018 -8.506 1.00 74.41 N ATOM 720 CA LEU A 41 -34.564 25.694 -8.935 1.00 11.44 C ATOM 721 C LEU A 41 -34.002 25.740 -10.352 1.00 5.24 C ATOM 722 O LEU A 41 -33.438 24.760 -10.839 1.00 10.24 O ATOM 723 CB LEU A 41 -35.726 24.702 -8.867 1.00 31.13 C ATOM 724 CG LEU A 41 -35.360 23.265 -8.493 1.00 74.12 C ATOM 725 CD1 LEU A 41 -35.127 23.146 -6.995 1.00 65.33 C ATOM 726 CD2 LEU A 41 -36.451 22.303 -8.943 1.00 4.12 C ATOM 0 H LEU A 41 -34.644 27.308 -7.597 1.00 74.41 H new ATOM 0 HA LEU A 41 -33.773 25.365 -8.261 1.00 11.44 H new ATOM 0 HB2 LEU A 41 -36.451 25.072 -8.142 1.00 31.13 H new ATOM 0 HB3 LEU A 41 -36.223 24.689 -9.837 1.00 31.13 H new ATOM 0 HG LEU A 41 -34.435 23.001 -9.006 1.00 74.12 H new ATOM 0 HD11 LEU A 41 -34.868 22.117 -6.748 1.00 65.33 H new ATOM 0 HD12 LEU A 41 -34.312 23.806 -6.700 1.00 65.33 H new ATOM 0 HD13 LEU A 41 -36.035 23.430 -6.462 1.00 65.33 H new ATOM 0 HD21 LEU A 41 -36.174 21.285 -8.669 1.00 4.12 H new ATOM 0 HD22 LEU A 41 -37.391 22.566 -8.458 1.00 4.12 H new ATOM 0 HD23 LEU A 41 -36.570 22.368 -10.025 1.00 4.12 H new TER 738 LEU A 41