USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 798 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 Single : A 1 MET CE :methyl -132:sc= -4.54! (180deg=-11!) USER MOD Single : A 1 MET N :NH3+ -152:sc= 1.25 (180deg=1.21) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 21:sc= 0.155 USER MOD Single : A 7 ASN : amide:sc=-0.00732 X(o=-0.0073,f=-0.0073) USER MOD Single : A 10 THR OG1 : rot -57:sc= 0.861 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -86:sc= 0.329 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 35 ASN : amide:sc= -0.0586 K(o=-0.059,f=-0.85) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 88:sc= 0.691 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.714 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.175 X(o=-0.18,f=0.061) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.491 1.225 0.702 1.00 42.42 N ATOM 2 CA MET A 1 1.135 0.931 -0.573 1.00 50.42 C ATOM 3 C MET A 1 2.654 0.984 -0.440 1.00 53.34 C ATOM 4 O MET A 1 3.191 1.745 0.365 1.00 33.01 O ATOM 5 CB MET A 1 0.670 1.921 -1.644 1.00 22.43 C ATOM 6 CG MET A 1 1.077 1.526 -3.054 1.00 24.30 C ATOM 7 SD MET A 1 0.132 0.125 -3.683 1.00 41.23 S ATOM 8 CE MET A 1 -0.321 0.726 -5.309 1.00 30.42 C ATOM 0 H1 MET A 1 -0.432 0.748 0.743 1.00 42.42 H new ATOM 0 H2 MET A 1 1.091 0.885 1.480 1.00 42.42 H new ATOM 0 H3 MET A 1 0.355 2.252 0.794 1.00 42.42 H new ATOM 0 HA MET A 1 0.849 -0.077 -0.872 1.00 50.42 H new ATOM 0 HB2 MET A 1 -0.416 2.009 -1.599 1.00 22.43 H new ATOM 0 HB3 MET A 1 1.079 2.906 -1.419 1.00 22.43 H new ATOM 0 HG2 MET A 1 0.942 2.379 -3.719 1.00 24.30 H new ATOM 0 HG3 MET A 1 2.138 1.278 -3.066 1.00 24.30 H new ATOM 0 HE1 MET A 1 -1.386 0.561 -5.474 1.00 30.42 H new ATOM 0 HE2 MET A 1 -0.104 1.792 -5.376 1.00 30.42 H new ATOM 0 HE3 MET A 1 0.251 0.191 -6.067 1.00 30.42 H new ATOM 18 N LYS A 2 3.341 0.171 -1.235 1.00 43.53 N ATOM 19 CA LYS A 2 4.798 0.126 -1.208 1.00 24.21 C ATOM 20 C LYS A 2 5.389 0.875 -2.398 1.00 52.11 C ATOM 21 O LYS A 2 4.915 0.740 -3.526 1.00 64.25 O ATOM 22 CB LYS A 2 5.284 -1.325 -1.214 1.00 31.55 C ATOM 23 CG LYS A 2 5.266 -1.978 0.158 1.00 71.22 C ATOM 24 CD LYS A 2 6.579 -2.681 0.458 1.00 3.33 C ATOM 25 CE LYS A 2 6.671 -3.089 1.921 1.00 71.45 C ATOM 26 NZ LYS A 2 7.478 -2.124 2.717 1.00 62.02 N ATOM 0 H LYS A 2 2.912 -0.466 -1.906 1.00 43.53 H new ATOM 0 HA LYS A 2 5.134 0.612 -0.292 1.00 24.21 H new ATOM 0 HB2 LYS A 2 4.659 -1.906 -1.892 1.00 31.55 H new ATOM 0 HB3 LYS A 2 6.299 -1.358 -1.610 1.00 31.55 H new ATOM 0 HG2 LYS A 2 5.075 -1.222 0.919 1.00 71.22 H new ATOM 0 HG3 LYS A 2 4.448 -2.696 0.209 1.00 71.22 H new ATOM 0 HD2 LYS A 2 6.673 -3.564 -0.174 1.00 3.33 H new ATOM 0 HD3 LYS A 2 7.411 -2.022 0.210 1.00 3.33 H new ATOM 0 HE2 LYS A 2 5.668 -3.158 2.342 1.00 71.45 H new ATOM 0 HE3 LYS A 2 7.116 -4.081 1.994 1.00 71.45 H new ATOM 0 HZ1 LYS A 2 7.516 -2.438 3.708 1.00 62.02 H new ATOM 0 HZ2 LYS A 2 8.443 -2.077 2.331 1.00 62.02 H new ATOM 0 HZ3 LYS A 2 7.040 -1.182 2.669 1.00 62.02 H new ATOM 40 N VAL A 3 6.426 1.665 -2.139 1.00 63.32 N ATOM 41 CA VAL A 3 7.083 2.433 -3.190 1.00 1.33 C ATOM 42 C VAL A 3 8.599 2.306 -3.098 1.00 5.15 C ATOM 43 O VAL A 3 9.159 2.201 -2.006 1.00 32.52 O ATOM 44 CB VAL A 3 6.699 3.923 -3.119 1.00 54.10 C ATOM 45 CG1 VAL A 3 6.880 4.587 -4.476 1.00 23.44 C ATOM 46 CG2 VAL A 3 5.268 4.081 -2.626 1.00 60.14 C ATOM 0 H VAL A 3 6.829 1.790 -1.210 1.00 63.32 H new ATOM 0 HA VAL A 3 6.744 2.022 -4.141 1.00 1.33 H new ATOM 0 HB VAL A 3 7.361 4.417 -2.408 1.00 54.10 H new ATOM 0 HG11 VAL A 3 6.604 5.639 -4.406 1.00 23.44 H new ATOM 0 HG12 VAL A 3 7.922 4.505 -4.785 1.00 23.44 H new ATOM 0 HG13 VAL A 3 6.244 4.093 -5.211 1.00 23.44 H new ATOM 0 HG21 VAL A 3 5.013 5.140 -2.582 1.00 60.14 H new ATOM 0 HG22 VAL A 3 4.589 3.573 -3.311 1.00 60.14 H new ATOM 0 HG23 VAL A 3 5.175 3.644 -1.632 1.00 60.14 H new ATOM 56 N TYR A 4 9.260 2.317 -4.250 1.00 54.41 N ATOM 57 CA TYR A 4 10.712 2.201 -4.300 1.00 42.42 C ATOM 58 C TYR A 4 11.307 3.218 -5.270 1.00 12.00 C ATOM 59 O TYR A 4 11.042 3.176 -6.471 1.00 52.25 O ATOM 60 CB TYR A 4 11.118 0.786 -4.715 1.00 53.23 C ATOM 61 CG TYR A 4 12.244 0.750 -5.724 1.00 13.22 C ATOM 62 CD1 TYR A 4 13.563 0.929 -5.328 1.00 24.40 C ATOM 63 CD2 TYR A 4 11.988 0.537 -7.073 1.00 34.42 C ATOM 64 CE1 TYR A 4 14.595 0.897 -6.246 1.00 40.32 C ATOM 65 CE2 TYR A 4 13.013 0.502 -7.998 1.00 1.22 C ATOM 66 CZ TYR A 4 14.315 0.684 -7.580 1.00 31.43 C ATOM 67 OH TYR A 4 15.340 0.650 -8.497 1.00 51.23 O ATOM 0 H TYR A 4 8.813 2.405 -5.162 1.00 54.41 H new ATOM 0 HA TYR A 4 11.102 2.406 -3.303 1.00 42.42 H new ATOM 0 HB2 TYR A 4 11.418 0.228 -3.828 1.00 53.23 H new ATOM 0 HB3 TYR A 4 10.250 0.276 -5.133 1.00 53.23 H new ATOM 0 HD1 TYR A 4 13.786 1.096 -4.285 1.00 24.40 H new ATOM 0 HD2 TYR A 4 10.970 0.396 -7.404 1.00 34.42 H new ATOM 0 HE1 TYR A 4 15.615 1.038 -5.921 1.00 40.32 H new ATOM 0 HE2 TYR A 4 12.796 0.333 -9.043 1.00 1.22 H new ATOM 0 HH TYR A 4 16.184 0.458 -8.037 1.00 51.23 H new ATOM 77 N VAL A 5 12.114 4.131 -4.739 1.00 15.23 N ATOM 78 CA VAL A 5 12.748 5.159 -5.556 1.00 24.53 C ATOM 79 C VAL A 5 14.261 4.971 -5.597 1.00 73.44 C ATOM 80 O VAL A 5 14.964 5.298 -4.643 1.00 1.13 O ATOM 81 CB VAL A 5 12.432 6.570 -5.028 1.00 11.50 C ATOM 82 CG1 VAL A 5 10.987 6.941 -5.326 1.00 70.32 C ATOM 83 CG2 VAL A 5 12.716 6.657 -3.536 1.00 40.30 C ATOM 0 H VAL A 5 12.344 4.180 -3.747 1.00 15.23 H new ATOM 0 HA VAL A 5 12.344 5.057 -6.563 1.00 24.53 H new ATOM 0 HB VAL A 5 13.078 7.283 -5.540 1.00 11.50 H new ATOM 0 HG11 VAL A 5 10.782 7.942 -4.945 1.00 70.32 H new ATOM 0 HG12 VAL A 5 10.821 6.922 -6.403 1.00 70.32 H new ATOM 0 HG13 VAL A 5 10.321 6.226 -4.843 1.00 70.32 H new ATOM 0 HG21 VAL A 5 12.487 7.661 -3.180 1.00 40.30 H new ATOM 0 HG22 VAL A 5 12.097 5.934 -3.005 1.00 40.30 H new ATOM 0 HG23 VAL A 5 13.768 6.438 -3.352 1.00 40.30 H new ATOM 93 N GLY A 6 14.755 4.441 -6.712 1.00 64.22 N ATOM 94 CA GLY A 6 16.182 4.219 -6.858 1.00 61.43 C ATOM 95 C GLY A 6 16.821 5.179 -7.842 1.00 74.44 C ATOM 96 O GLY A 6 16.187 6.136 -8.286 1.00 24.43 O ATOM 0 H GLY A 6 14.193 4.162 -7.516 1.00 64.22 H new ATOM 0 HA2 GLY A 6 16.664 4.325 -5.886 1.00 61.43 H new ATOM 0 HA3 GLY A 6 16.355 3.195 -7.190 1.00 61.43 H new ATOM 100 N ASN A 7 18.079 4.923 -8.184 1.00 5.33 N ATOM 101 CA ASN A 7 18.805 5.774 -9.120 1.00 70.02 C ATOM 102 C ASN A 7 18.972 7.182 -8.558 1.00 44.42 C ATOM 103 O ASN A 7 18.324 8.126 -9.013 1.00 71.44 O ATOM 104 CB ASN A 7 18.072 5.832 -10.462 1.00 30.10 C ATOM 105 CG ASN A 7 18.590 4.804 -11.449 1.00 21.53 C ATOM 106 OD1 ASN A 7 19.204 5.150 -12.458 1.00 23.30 O ATOM 107 ND2 ASN A 7 18.344 3.531 -11.161 1.00 33.23 N ATOM 0 H ASN A 7 18.617 4.133 -7.827 1.00 5.33 H new ATOM 0 HA ASN A 7 19.795 5.343 -9.272 1.00 70.02 H new ATOM 0 HB2 ASN A 7 17.007 5.670 -10.298 1.00 30.10 H new ATOM 0 HB3 ASN A 7 18.181 6.829 -10.889 1.00 30.10 H new ATOM 0 HD21 ASN A 7 18.668 2.794 -11.788 1.00 33.23 H new ATOM 0 HD22 ASN A 7 17.831 3.290 -10.313 1.00 33.23 H new ATOM 114 N LEU A 8 19.847 7.318 -7.567 1.00 75.21 N ATOM 115 CA LEU A 8 20.101 8.611 -6.943 1.00 13.45 C ATOM 116 C LEU A 8 21.593 8.816 -6.701 1.00 32.41 C ATOM 117 O LEU A 8 22.424 8.070 -7.217 1.00 74.44 O ATOM 118 CB LEU A 8 19.339 8.720 -5.621 1.00 12.14 C ATOM 119 CG LEU A 8 17.863 8.323 -5.662 1.00 53.00 C ATOM 120 CD1 LEU A 8 17.638 7.023 -4.906 1.00 63.30 C ATOM 121 CD2 LEU A 8 16.995 9.433 -5.087 1.00 4.24 C ATOM 0 H LEU A 8 20.392 6.548 -7.179 1.00 75.21 H new ATOM 0 HA LEU A 8 19.752 9.389 -7.622 1.00 13.45 H new ATOM 0 HB2 LEU A 8 19.842 8.096 -4.882 1.00 12.14 H new ATOM 0 HB3 LEU A 8 19.408 9.749 -5.269 1.00 12.14 H new ATOM 0 HG LEU A 8 17.578 8.168 -6.703 1.00 53.00 H new ATOM 0 HD11 LEU A 8 16.582 6.757 -4.946 1.00 63.30 H new ATOM 0 HD12 LEU A 8 18.230 6.230 -5.362 1.00 63.30 H new ATOM 0 HD13 LEU A 8 17.941 7.149 -3.867 1.00 63.30 H new ATOM 0 HD21 LEU A 8 15.948 9.132 -5.125 1.00 4.24 H new ATOM 0 HD22 LEU A 8 17.282 9.620 -4.052 1.00 4.24 H new ATOM 0 HD23 LEU A 8 17.133 10.342 -5.672 1.00 4.24 H new ATOM 133 N GLY A 9 21.926 9.831 -5.910 1.00 14.32 N ATOM 134 CA GLY A 9 23.317 10.114 -5.612 1.00 4.15 C ATOM 135 C GLY A 9 23.929 11.104 -6.583 1.00 12.44 C ATOM 136 O GLY A 9 24.941 10.815 -7.222 1.00 53.33 O ATOM 0 H GLY A 9 21.257 10.463 -5.470 1.00 14.32 H new ATOM 0 HA2 GLY A 9 23.395 10.508 -4.599 1.00 4.15 H new ATOM 0 HA3 GLY A 9 23.887 9.185 -5.638 1.00 4.15 H new ATOM 140 N THR A 10 23.313 12.277 -6.696 1.00 10.32 N ATOM 141 CA THR A 10 23.801 13.313 -7.598 1.00 32.31 C ATOM 142 C THR A 10 22.950 14.574 -7.499 1.00 31.31 C ATOM 143 O THR A 10 22.443 15.073 -8.503 1.00 23.23 O ATOM 144 CB THR A 10 23.809 12.826 -9.059 1.00 42.24 C ATOM 145 OG1 THR A 10 24.246 13.881 -9.924 1.00 61.52 O ATOM 146 CG2 THR A 10 22.425 12.358 -9.482 1.00 31.22 C ATOM 0 H THR A 10 22.475 12.533 -6.174 1.00 10.32 H new ATOM 0 HA THR A 10 24.822 13.543 -7.293 1.00 32.31 H new ATOM 0 HB THR A 10 24.498 11.985 -9.134 1.00 42.24 H new ATOM 0 HG1 THR A 10 23.662 14.660 -9.811 1.00 61.52 H new ATOM 0 HG21 THR A 10 22.456 12.019 -10.517 1.00 31.22 H new ATOM 0 HG22 THR A 10 22.107 11.536 -8.840 1.00 31.22 H new ATOM 0 HG23 THR A 10 21.719 13.183 -9.392 1.00 31.22 H new ATOM 154 N GLY A 11 22.797 15.085 -6.281 1.00 42.21 N ATOM 155 CA GLY A 11 22.007 16.285 -6.074 1.00 70.40 C ATOM 156 C GLY A 11 20.525 15.989 -5.956 1.00 51.31 C ATOM 157 O GLY A 11 19.724 16.888 -5.701 1.00 4.43 O ATOM 0 H GLY A 11 23.206 14.690 -5.434 1.00 42.21 H new ATOM 0 HA2 GLY A 11 22.347 16.789 -5.169 1.00 70.40 H new ATOM 0 HA3 GLY A 11 22.172 16.973 -6.903 1.00 70.40 H new ATOM 161 N ALA A 12 20.158 14.726 -6.144 1.00 61.13 N ATOM 162 CA ALA A 12 18.762 14.315 -6.057 1.00 64.43 C ATOM 163 C ALA A 12 18.601 13.112 -5.134 1.00 20.13 C ATOM 164 O ALA A 12 18.940 11.987 -5.499 1.00 34.14 O ATOM 165 CB ALA A 12 18.219 13.996 -7.442 1.00 71.42 C ATOM 0 H ALA A 12 20.808 13.969 -6.358 1.00 61.13 H new ATOM 0 HA ALA A 12 18.191 15.142 -5.636 1.00 64.43 H new ATOM 0 HB1 ALA A 12 17.176 13.690 -7.362 1.00 71.42 H new ATOM 0 HB2 ALA A 12 18.291 14.881 -8.074 1.00 71.42 H new ATOM 0 HB3 ALA A 12 18.801 13.187 -7.884 1.00 71.42 H new ATOM 171 N GLY A 13 18.082 13.358 -3.935 1.00 31.35 N ATOM 172 CA GLY A 13 17.886 12.285 -2.977 1.00 72.00 C ATOM 173 C GLY A 13 16.681 12.516 -2.087 1.00 20.35 C ATOM 174 O GLY A 13 15.560 12.669 -2.572 1.00 61.54 O ATOM 0 H GLY A 13 17.794 14.281 -3.610 1.00 31.35 H new ATOM 0 HA2 GLY A 13 17.764 11.343 -3.511 1.00 72.00 H new ATOM 0 HA3 GLY A 13 18.778 12.187 -2.358 1.00 72.00 H new ATOM 178 N LYS A 14 16.910 12.540 -0.778 1.00 24.40 N ATOM 179 CA LYS A 14 15.836 12.753 0.184 1.00 74.31 C ATOM 180 C LYS A 14 15.017 13.987 -0.179 1.00 41.54 C ATOM 181 O LYS A 14 13.796 13.918 -0.311 1.00 71.13 O ATOM 182 CB LYS A 14 16.409 12.905 1.595 1.00 73.32 C ATOM 183 CG LYS A 14 15.350 12.917 2.683 1.00 33.25 C ATOM 184 CD LYS A 14 15.578 14.049 3.671 1.00 71.11 C ATOM 185 CE LYS A 14 15.303 13.606 5.100 1.00 52.12 C ATOM 186 NZ LYS A 14 14.320 14.497 5.777 1.00 23.11 N ATOM 0 H LYS A 14 17.831 12.414 -0.359 1.00 24.40 H new ATOM 0 HA LYS A 14 15.180 11.883 0.157 1.00 74.31 H new ATOM 0 HB2 LYS A 14 17.105 12.088 1.786 1.00 73.32 H new ATOM 0 HB3 LYS A 14 16.982 13.830 1.648 1.00 73.32 H new ATOM 0 HG2 LYS A 14 14.364 13.021 2.231 1.00 33.25 H new ATOM 0 HG3 LYS A 14 15.360 11.964 3.212 1.00 33.25 H new ATOM 0 HD2 LYS A 14 16.606 14.402 3.590 1.00 71.11 H new ATOM 0 HD3 LYS A 14 14.931 14.889 3.419 1.00 71.11 H new ATOM 0 HE2 LYS A 14 14.925 12.584 5.097 1.00 52.12 H new ATOM 0 HE3 LYS A 14 16.236 13.599 5.664 1.00 52.12 H new ATOM 0 HZ1 LYS A 14 14.159 14.162 6.748 1.00 23.11 H new ATOM 0 HZ2 LYS A 14 14.692 15.468 5.803 1.00 23.11 H new ATOM 0 HZ3 LYS A 14 13.422 14.484 5.253 1.00 23.11 H new ATOM 200 N GLY A 15 15.699 15.118 -0.341 1.00 71.54 N ATOM 201 CA GLY A 15 15.018 16.351 -0.690 1.00 3.15 C ATOM 202 C GLY A 15 14.301 16.262 -2.022 1.00 62.50 C ATOM 203 O GLY A 15 13.195 16.779 -2.174 1.00 44.04 O ATOM 0 H GLY A 15 16.710 15.202 -0.237 1.00 71.54 H new ATOM 0 HA2 GLY A 15 14.298 16.598 0.090 1.00 3.15 H new ATOM 0 HA3 GLY A 15 15.742 17.165 -0.725 1.00 3.15 H new ATOM 207 N GLU A 16 14.933 15.604 -2.990 1.00 3.45 N ATOM 208 CA GLU A 16 14.349 15.452 -4.317 1.00 35.24 C ATOM 209 C GLU A 16 13.064 14.630 -4.254 1.00 63.21 C ATOM 210 O GLU A 16 12.000 15.087 -4.672 1.00 12.41 O ATOM 211 CB GLU A 16 15.348 14.786 -5.265 1.00 33.20 C ATOM 212 CG GLU A 16 15.252 15.284 -6.697 1.00 45.22 C ATOM 213 CD GLU A 16 13.822 15.533 -7.135 1.00 30.44 C ATOM 214 OE1 GLU A 16 13.004 14.593 -7.050 1.00 54.42 O ATOM 215 OE2 GLU A 16 13.521 16.667 -7.561 1.00 43.23 O ATOM 0 H GLU A 16 15.849 15.168 -2.879 1.00 3.45 H new ATOM 0 HA GLU A 16 14.107 16.445 -4.696 1.00 35.24 H new ATOM 0 HB2 GLU A 16 16.359 14.960 -4.895 1.00 33.20 H new ATOM 0 HB3 GLU A 16 15.185 13.708 -5.252 1.00 33.20 H new ATOM 0 HG2 GLU A 16 15.824 16.207 -6.796 1.00 45.22 H new ATOM 0 HG3 GLU A 16 15.710 14.553 -7.363 1.00 45.22 H new ATOM 222 N LEU A 17 13.172 13.414 -3.730 1.00 63.11 N ATOM 223 CA LEU A 17 12.021 12.526 -3.613 1.00 14.34 C ATOM 224 C LEU A 17 10.974 13.114 -2.672 1.00 13.31 C ATOM 225 O LEU A 17 9.780 12.853 -2.816 1.00 30.21 O ATOM 226 CB LEU A 17 12.461 11.151 -3.108 1.00 40.03 C ATOM 227 CG LEU A 17 12.381 10.933 -1.597 1.00 35.11 C ATOM 228 CD1 LEU A 17 10.999 10.433 -1.203 1.00 4.14 C ATOM 229 CD2 LEU A 17 13.454 9.955 -1.141 1.00 52.22 C ATOM 0 H LEU A 17 14.045 13.020 -3.379 1.00 63.11 H new ATOM 0 HA LEU A 17 11.575 12.417 -4.602 1.00 14.34 H new ATOM 0 HB2 LEU A 17 11.848 10.394 -3.597 1.00 40.03 H new ATOM 0 HB3 LEU A 17 13.490 10.982 -3.425 1.00 40.03 H new ATOM 0 HG LEU A 17 12.555 11.888 -1.102 1.00 35.11 H new ATOM 0 HD11 LEU A 17 10.960 10.283 -0.124 1.00 4.14 H new ATOM 0 HD12 LEU A 17 10.249 11.168 -1.494 1.00 4.14 H new ATOM 0 HD13 LEU A 17 10.796 9.489 -1.708 1.00 4.14 H new ATOM 0 HD21 LEU A 17 13.382 9.812 -0.063 1.00 52.22 H new ATOM 0 HD22 LEU A 17 13.312 8.999 -1.644 1.00 52.22 H new ATOM 0 HD23 LEU A 17 14.438 10.353 -1.389 1.00 52.22 H new ATOM 241 N GLU A 18 11.430 13.911 -1.711 1.00 1.14 N ATOM 242 CA GLU A 18 10.532 14.537 -0.748 1.00 12.05 C ATOM 243 C GLU A 18 9.647 15.579 -1.426 1.00 62.01 C ATOM 244 O GLU A 18 8.429 15.583 -1.251 1.00 74.21 O ATOM 245 CB GLU A 18 11.333 15.189 0.381 1.00 12.33 C ATOM 246 CG GLU A 18 10.472 15.944 1.381 1.00 64.30 C ATOM 247 CD GLU A 18 11.238 16.340 2.628 1.00 25.43 C ATOM 248 OE1 GLU A 18 12.017 15.505 3.136 1.00 73.23 O ATOM 249 OE2 GLU A 18 11.060 17.483 3.097 1.00 51.00 O ATOM 0 H GLU A 18 12.416 14.138 -1.579 1.00 1.14 H new ATOM 0 HA GLU A 18 9.893 13.760 -0.329 1.00 12.05 H new ATOM 0 HB2 GLU A 18 11.896 14.418 0.908 1.00 12.33 H new ATOM 0 HB3 GLU A 18 12.061 15.876 -0.051 1.00 12.33 H new ATOM 0 HG2 GLU A 18 10.070 16.839 0.906 1.00 64.30 H new ATOM 0 HG3 GLU A 18 9.621 15.324 1.663 1.00 64.30 H new ATOM 256 N ARG A 19 10.270 16.461 -2.200 1.00 50.44 N ATOM 257 CA ARG A 19 9.541 17.509 -2.904 1.00 15.50 C ATOM 258 C ARG A 19 8.591 16.911 -3.937 1.00 74.03 C ATOM 259 O ARG A 19 7.455 17.361 -4.085 1.00 52.10 O ATOM 260 CB ARG A 19 10.517 18.469 -3.588 1.00 35.40 C ATOM 261 CG ARG A 19 9.845 19.687 -4.199 1.00 50.44 C ATOM 262 CD ARG A 19 10.836 20.536 -4.981 1.00 32.01 C ATOM 263 NE ARG A 19 12.058 20.788 -4.223 1.00 24.43 N ATOM 264 CZ ARG A 19 12.165 21.730 -3.292 1.00 64.43 C ATOM 265 NH1 ARG A 19 11.128 22.505 -3.007 1.00 23.45 N ATOM 266 NH2 ARG A 19 13.312 21.898 -2.645 1.00 74.53 N ATOM 0 H ARG A 19 11.278 16.471 -2.356 1.00 50.44 H new ATOM 0 HA ARG A 19 8.953 18.061 -2.171 1.00 15.50 H new ATOM 0 HB2 ARG A 19 11.258 18.800 -2.860 1.00 35.40 H new ATOM 0 HB3 ARG A 19 11.055 17.931 -4.369 1.00 35.40 H new ATOM 0 HG2 ARG A 19 9.039 19.367 -4.859 1.00 50.44 H new ATOM 0 HG3 ARG A 19 9.392 20.288 -3.411 1.00 50.44 H new ATOM 0 HD2 ARG A 19 11.086 20.033 -5.915 1.00 32.01 H new ATOM 0 HD3 ARG A 19 10.371 21.486 -5.245 1.00 32.01 H new ATOM 0 HE ARG A 19 12.875 20.209 -4.419 1.00 24.43 H new ATOM 0 HH11 ARG A 19 10.246 22.379 -3.503 1.00 23.45 H new ATOM 0 HH12 ARG A 19 11.213 23.227 -2.292 1.00 23.45 H new ATOM 0 HH21 ARG A 19 14.112 21.304 -2.862 1.00 74.53 H new ATOM 0 HH22 ARG A 19 13.393 22.621 -1.930 1.00 74.53 H new ATOM 280 N ALA A 20 9.064 15.894 -4.650 1.00 2.10 N ATOM 281 CA ALA A 20 8.257 15.233 -5.668 1.00 1.21 C ATOM 282 C ALA A 20 7.042 14.551 -5.048 1.00 2.30 C ATOM 283 O ALA A 20 5.901 14.923 -5.324 1.00 22.32 O ATOM 284 CB ALA A 20 9.098 14.223 -6.434 1.00 71.14 C ATOM 0 H ALA A 20 10.003 15.510 -4.541 1.00 2.10 H new ATOM 0 HA ALA A 20 7.899 15.993 -6.363 1.00 1.21 H new ATOM 0 HB1 ALA A 20 8.483 13.737 -7.191 1.00 71.14 H new ATOM 0 HB2 ALA A 20 9.931 14.735 -6.917 1.00 71.14 H new ATOM 0 HB3 ALA A 20 9.484 13.473 -5.744 1.00 71.14 H new ATOM 290 N PHE A 21 7.294 13.551 -4.210 1.00 3.53 N ATOM 291 CA PHE A 21 6.220 12.816 -3.552 1.00 4.33 C ATOM 292 C PHE A 21 5.243 13.772 -2.873 1.00 61.15 C ATOM 293 O PHE A 21 4.031 13.677 -3.066 1.00 41.32 O ATOM 294 CB PHE A 21 6.797 11.843 -2.522 1.00 31.52 C ATOM 295 CG PHE A 21 7.161 10.505 -3.100 1.00 22.12 C ATOM 296 CD1 PHE A 21 8.262 10.371 -3.931 1.00 12.20 C ATOM 297 CD2 PHE A 21 6.404 9.381 -2.812 1.00 14.33 C ATOM 298 CE1 PHE A 21 8.599 9.142 -4.465 1.00 33.33 C ATOM 299 CE2 PHE A 21 6.736 8.149 -3.342 1.00 71.12 C ATOM 300 CZ PHE A 21 7.836 8.029 -4.169 1.00 74.00 C ATOM 0 H PHE A 21 8.232 13.231 -3.970 1.00 3.53 H new ATOM 0 HA PHE A 21 5.680 12.252 -4.313 1.00 4.33 H new ATOM 0 HB2 PHE A 21 7.683 12.288 -2.070 1.00 31.52 H new ATOM 0 HB3 PHE A 21 6.070 11.699 -1.723 1.00 31.52 H new ATOM 0 HD1 PHE A 21 8.864 11.237 -4.164 1.00 12.20 H new ATOM 0 HD2 PHE A 21 5.544 9.469 -2.165 1.00 14.33 H new ATOM 0 HE1 PHE A 21 9.458 9.052 -5.113 1.00 33.33 H new ATOM 0 HE2 PHE A 21 6.136 7.281 -3.110 1.00 71.12 H new ATOM 0 HZ PHE A 21 8.099 7.067 -4.583 1.00 74.00 H new ATOM 310 N SER A 22 5.780 14.692 -2.078 1.00 71.40 N ATOM 311 CA SER A 22 4.956 15.662 -1.367 1.00 40.21 C ATOM 312 C SER A 22 4.101 16.467 -2.342 1.00 23.34 C ATOM 313 O SER A 22 2.911 16.682 -2.110 1.00 24.13 O ATOM 314 CB SER A 22 5.837 16.605 -0.545 1.00 14.21 C ATOM 315 OG SER A 22 6.591 17.461 -1.385 1.00 65.44 O ATOM 0 H SER A 22 6.782 14.786 -1.910 1.00 71.40 H new ATOM 0 HA SER A 22 4.294 15.116 -0.695 1.00 40.21 H new ATOM 0 HB2 SER A 22 5.214 17.201 0.121 1.00 14.21 H new ATOM 0 HB3 SER A 22 6.510 16.023 0.084 1.00 14.21 H new ATOM 0 HG SER A 22 7.423 17.014 -1.645 1.00 65.44 H new ATOM 321 N TYR A 23 4.717 16.909 -3.433 1.00 33.53 N ATOM 322 CA TYR A 23 4.014 17.692 -4.442 1.00 63.44 C ATOM 323 C TYR A 23 2.794 16.939 -4.964 1.00 64.43 C ATOM 324 O TYR A 23 1.717 17.514 -5.124 1.00 64.54 O ATOM 325 CB TYR A 23 4.954 18.028 -5.601 1.00 51.54 C ATOM 326 CG TYR A 23 5.571 19.405 -5.500 1.00 23.01 C ATOM 327 CD1 TYR A 23 6.047 19.887 -4.287 1.00 14.23 C ATOM 328 CD2 TYR A 23 5.680 20.223 -6.618 1.00 22.01 C ATOM 329 CE1 TYR A 23 6.611 21.144 -4.189 1.00 54.44 C ATOM 330 CE2 TYR A 23 6.244 21.481 -6.530 1.00 42.12 C ATOM 331 CZ TYR A 23 6.707 21.937 -5.314 1.00 4.42 C ATOM 332 OH TYR A 23 7.270 23.190 -5.221 1.00 71.13 O ATOM 0 H TYR A 23 5.701 16.738 -3.641 1.00 33.53 H new ATOM 0 HA TYR A 23 3.675 18.618 -3.977 1.00 63.44 H new ATOM 0 HB2 TYR A 23 5.750 17.284 -5.640 1.00 51.54 H new ATOM 0 HB3 TYR A 23 4.403 17.954 -6.538 1.00 51.54 H new ATOM 0 HD1 TYR A 23 5.975 19.268 -3.405 1.00 14.23 H new ATOM 0 HD2 TYR A 23 5.318 19.869 -7.572 1.00 22.01 H new ATOM 0 HE1 TYR A 23 6.975 21.504 -3.238 1.00 54.44 H new ATOM 0 HE2 TYR A 23 6.322 22.104 -7.409 1.00 42.12 H new ATOM 0 HH TYR A 23 7.263 23.618 -6.103 1.00 71.13 H new ATOM 342 N TYR A 24 2.972 15.649 -5.227 1.00 74.23 N ATOM 343 CA TYR A 24 1.887 14.816 -5.733 1.00 30.32 C ATOM 344 C TYR A 24 0.864 14.530 -4.638 1.00 32.11 C ATOM 345 O TYR A 24 -0.339 14.484 -4.893 1.00 21.22 O ATOM 346 CB TYR A 24 2.440 13.501 -6.285 1.00 24.01 C ATOM 347 CG TYR A 24 2.949 13.607 -7.705 1.00 74.31 C ATOM 348 CD1 TYR A 24 4.075 14.362 -8.006 1.00 62.24 C ATOM 349 CD2 TYR A 24 2.302 12.950 -8.745 1.00 43.55 C ATOM 350 CE1 TYR A 24 4.542 14.462 -9.303 1.00 23.34 C ATOM 351 CE2 TYR A 24 2.763 13.044 -10.045 1.00 22.45 C ATOM 352 CZ TYR A 24 3.883 13.801 -10.318 1.00 62.30 C ATOM 353 OH TYR A 24 4.346 13.897 -11.610 1.00 62.43 O ATOM 0 H TYR A 24 3.857 15.158 -5.098 1.00 74.23 H new ATOM 0 HA TYR A 24 1.390 15.360 -6.537 1.00 30.32 H new ATOM 0 HB2 TYR A 24 3.251 13.159 -5.642 1.00 24.01 H new ATOM 0 HB3 TYR A 24 1.659 12.742 -6.244 1.00 24.01 H new ATOM 0 HD1 TYR A 24 4.595 14.880 -7.213 1.00 62.24 H new ATOM 0 HD2 TYR A 24 1.425 12.356 -8.534 1.00 43.55 H new ATOM 0 HE1 TYR A 24 5.418 15.055 -9.520 1.00 23.34 H new ATOM 0 HE2 TYR A 24 2.249 12.528 -10.842 1.00 22.45 H new ATOM 0 HH TYR A 24 5.318 14.024 -11.601 1.00 62.43 H new ATOM 363 N GLY A 25 1.352 14.339 -3.416 1.00 31.11 N ATOM 364 CA GLY A 25 0.468 14.061 -2.299 1.00 70.51 C ATOM 365 C GLY A 25 1.218 13.582 -1.072 1.00 34.42 C ATOM 366 O GLY A 25 2.353 13.112 -1.155 1.00 53.22 O ATOM 0 H GLY A 25 2.344 14.372 -3.180 1.00 31.11 H new ATOM 0 HA2 GLY A 25 -0.092 14.962 -2.050 1.00 70.51 H new ATOM 0 HA3 GLY A 25 -0.259 13.305 -2.595 1.00 70.51 H new ATOM 370 N PRO A 26 0.577 13.700 0.101 1.00 65.10 N ATOM 371 CA PRO A 26 1.173 13.282 1.374 1.00 70.24 C ATOM 372 C PRO A 26 1.300 11.766 1.484 1.00 12.31 C ATOM 373 O PRO A 26 0.298 11.050 1.519 1.00 2.14 O ATOM 374 CB PRO A 26 0.188 13.814 2.418 1.00 61.42 C ATOM 375 CG PRO A 26 -1.114 13.904 1.699 1.00 43.30 C ATOM 376 CD PRO A 26 -0.777 14.250 0.275 1.00 52.51 C ATOM 0 HA PRO A 26 2.188 13.661 1.494 1.00 70.24 H new ATOM 0 HB2 PRO A 26 0.121 13.145 3.276 1.00 61.42 H new ATOM 0 HB3 PRO A 26 0.500 14.788 2.796 1.00 61.42 H new ATOM 0 HG2 PRO A 26 -1.656 12.960 1.753 1.00 43.30 H new ATOM 0 HG3 PRO A 26 -1.754 14.665 2.145 1.00 43.30 H new ATOM 0 HD2 PRO A 26 -1.484 13.805 -0.425 1.00 52.51 H new ATOM 0 HD3 PRO A 26 -0.798 15.327 0.108 1.00 52.51 H new ATOM 384 N LEU A 27 2.536 11.283 1.539 1.00 40.22 N ATOM 385 CA LEU A 27 2.794 9.851 1.646 1.00 11.41 C ATOM 386 C LEU A 27 2.795 9.406 3.105 1.00 51.10 C ATOM 387 O LEU A 27 2.558 10.207 4.009 1.00 53.40 O ATOM 388 CB LEU A 27 4.133 9.504 0.994 1.00 5.21 C ATOM 389 CG LEU A 27 5.277 10.489 1.244 1.00 74.33 C ATOM 390 CD1 LEU A 27 5.516 10.661 2.735 1.00 25.05 C ATOM 391 CD2 LEU A 27 6.546 10.019 0.548 1.00 0.31 C ATOM 0 H LEU A 27 3.375 11.862 1.511 1.00 40.22 H new ATOM 0 HA LEU A 27 1.996 9.323 1.125 1.00 11.41 H new ATOM 0 HB2 LEU A 27 4.443 8.521 1.348 1.00 5.21 H new ATOM 0 HB3 LEU A 27 3.980 9.421 -0.082 1.00 5.21 H new ATOM 0 HG LEU A 27 4.996 11.457 0.829 1.00 74.33 H new ATOM 0 HD11 LEU A 27 6.333 11.365 2.894 1.00 25.05 H new ATOM 0 HD12 LEU A 27 4.611 11.043 3.207 1.00 25.05 H new ATOM 0 HD13 LEU A 27 5.776 9.698 3.175 1.00 25.05 H new ATOM 0 HD21 LEU A 27 7.349 10.731 0.736 1.00 0.31 H new ATOM 0 HD22 LEU A 27 6.831 9.040 0.933 1.00 0.31 H new ATOM 0 HD23 LEU A 27 6.368 9.949 -0.525 1.00 0.31 H new ATOM 403 N ARG A 28 3.065 8.124 3.327 1.00 64.13 N ATOM 404 CA ARG A 28 3.098 7.572 4.676 1.00 44.32 C ATOM 405 C ARG A 28 4.453 7.822 5.332 1.00 1.13 C ATOM 406 O ARG A 28 4.528 8.280 6.473 1.00 41.41 O ATOM 407 CB ARG A 28 2.804 6.071 4.643 1.00 5.44 C ATOM 408 CG ARG A 28 2.658 5.449 6.023 1.00 43.54 C ATOM 409 CD ARG A 28 1.433 4.552 6.102 1.00 42.10 C ATOM 410 NE ARG A 28 1.345 3.859 7.384 1.00 15.15 N ATOM 411 CZ ARG A 28 0.603 2.775 7.584 1.00 11.34 C ATOM 412 NH1 ARG A 28 -0.110 2.263 6.591 1.00 52.32 N ATOM 413 NH2 ARG A 28 0.574 2.201 8.780 1.00 1.03 N ATOM 0 H ARG A 28 3.264 7.448 2.590 1.00 64.13 H new ATOM 0 HA ARG A 28 2.330 8.072 5.266 1.00 44.32 H new ATOM 0 HB2 ARG A 28 1.887 5.901 4.078 1.00 5.44 H new ATOM 0 HB3 ARG A 28 3.607 5.564 4.108 1.00 5.44 H new ATOM 0 HG2 ARG A 28 3.551 4.869 6.259 1.00 43.54 H new ATOM 0 HG3 ARG A 28 2.583 6.237 6.772 1.00 43.54 H new ATOM 0 HD2 ARG A 28 0.535 5.151 5.951 1.00 42.10 H new ATOM 0 HD3 ARG A 28 1.467 3.820 5.295 1.00 42.10 H new ATOM 0 HE ARG A 28 1.882 4.227 8.169 1.00 15.15 H new ATOM 0 HH11 ARG A 28 -0.090 2.701 5.670 1.00 52.32 H new ATOM 0 HH12 ARG A 28 -0.679 1.431 6.748 1.00 52.32 H new ATOM 0 HH21 ARG A 28 1.122 2.592 9.547 1.00 1.03 H new ATOM 0 HH22 ARG A 28 0.004 1.369 8.933 1.00 1.03 H new ATOM 427 N THR A 29 5.523 7.517 4.604 1.00 0.23 N ATOM 428 CA THR A 29 6.875 7.707 5.116 1.00 74.44 C ATOM 429 C THR A 29 7.906 7.597 3.998 1.00 15.21 C ATOM 430 O THR A 29 7.646 6.994 2.957 1.00 31.51 O ATOM 431 CB THR A 29 7.210 6.677 6.211 1.00 63.11 C ATOM 432 OG1 THR A 29 6.304 5.571 6.138 1.00 15.12 O ATOM 433 CG2 THR A 29 7.135 7.311 7.591 1.00 12.35 C ATOM 0 H THR A 29 5.480 7.137 3.658 1.00 0.23 H new ATOM 0 HA THR A 29 6.914 8.708 5.545 1.00 74.44 H new ATOM 0 HB THR A 29 8.228 6.323 6.046 1.00 63.11 H new ATOM 0 HG1 THR A 29 6.525 4.920 6.837 1.00 15.12 H new ATOM 0 HG21 THR A 29 7.375 6.564 8.348 1.00 12.35 H new ATOM 0 HG22 THR A 29 7.848 8.133 7.653 1.00 12.35 H new ATOM 0 HG23 THR A 29 6.128 7.690 7.763 1.00 12.35 H new ATOM 441 N VAL A 30 9.077 8.185 4.220 1.00 21.44 N ATOM 442 CA VAL A 30 10.149 8.151 3.232 1.00 13.32 C ATOM 443 C VAL A 30 11.415 7.535 3.816 1.00 43.24 C ATOM 444 O VAL A 30 11.719 7.716 4.995 1.00 44.24 O ATOM 445 CB VAL A 30 10.472 9.563 2.708 1.00 63.14 C ATOM 446 CG1 VAL A 30 10.721 10.519 3.864 1.00 32.34 C ATOM 447 CG2 VAL A 30 11.671 9.521 1.772 1.00 4.34 C ATOM 0 H VAL A 30 9.308 8.691 5.075 1.00 21.44 H new ATOM 0 HA VAL A 30 9.798 7.535 2.404 1.00 13.32 H new ATOM 0 HB VAL A 30 9.613 9.929 2.146 1.00 63.14 H new ATOM 0 HG11 VAL A 30 10.948 11.511 3.473 1.00 32.34 H new ATOM 0 HG12 VAL A 30 9.831 10.571 4.492 1.00 32.34 H new ATOM 0 HG13 VAL A 30 11.563 10.162 4.457 1.00 32.34 H new ATOM 0 HG21 VAL A 30 11.886 10.527 1.411 1.00 4.34 H new ATOM 0 HG22 VAL A 30 12.538 9.135 2.308 1.00 4.34 H new ATOM 0 HG23 VAL A 30 11.449 8.871 0.926 1.00 4.34 H new ATOM 457 N TRP A 31 12.150 6.807 2.982 1.00 10.35 N ATOM 458 CA TRP A 31 13.385 6.164 3.416 1.00 43.12 C ATOM 459 C TRP A 31 14.396 6.102 2.276 1.00 54.13 C ATOM 460 O TRP A 31 14.020 6.060 1.104 1.00 44.54 O ATOM 461 CB TRP A 31 13.096 4.755 3.934 1.00 33.44 C ATOM 462 CG TRP A 31 13.805 4.436 5.216 1.00 73.11 C ATOM 463 CD1 TRP A 31 13.642 5.060 6.420 1.00 72.13 C ATOM 464 CD2 TRP A 31 14.790 3.417 5.420 1.00 75.11 C ATOM 465 NE1 TRP A 31 14.466 4.490 7.360 1.00 42.11 N ATOM 466 CE2 TRP A 31 15.180 3.479 6.772 1.00 52.51 C ATOM 467 CE3 TRP A 31 15.378 2.456 4.593 1.00 40.51 C ATOM 468 CZ2 TRP A 31 16.132 2.619 7.312 1.00 11.11 C ATOM 469 CZ3 TRP A 31 16.323 1.604 5.130 1.00 20.54 C ATOM 470 CH2 TRP A 31 16.692 1.689 6.480 1.00 71.45 C ATOM 0 H TRP A 31 11.912 6.648 2.003 1.00 10.35 H new ATOM 0 HA TRP A 31 13.811 6.760 4.223 1.00 43.12 H new ATOM 0 HB2 TRP A 31 12.022 4.644 4.084 1.00 33.44 H new ATOM 0 HB3 TRP A 31 13.389 4.029 3.175 1.00 33.44 H new ATOM 0 HD1 TRP A 31 12.965 5.881 6.606 1.00 72.13 H new ATOM 0 HE1 TRP A 31 14.535 4.773 8.337 1.00 42.11 H new ATOM 0 HE3 TRP A 31 15.098 2.381 3.553 1.00 40.51 H new ATOM 0 HZ2 TRP A 31 16.418 2.684 8.351 1.00 11.11 H new ATOM 0 HZ3 TRP A 31 16.786 0.859 4.499 1.00 20.54 H new ATOM 0 HH2 TRP A 31 17.433 1.007 6.870 1.00 71.45 H new ATOM 481 N ILE A 32 15.677 6.096 2.626 1.00 2.13 N ATOM 482 CA ILE A 32 16.741 6.038 1.631 1.00 33.31 C ATOM 483 C ILE A 32 17.869 5.118 2.085 1.00 31.15 C ATOM 484 O ILE A 32 18.210 5.074 3.267 1.00 11.10 O ATOM 485 CB ILE A 32 17.318 7.436 1.342 1.00 63.23 C ATOM 486 CG1 ILE A 32 16.275 8.307 0.638 1.00 25.31 C ATOM 487 CG2 ILE A 32 18.579 7.324 0.498 1.00 62.41 C ATOM 488 CD1 ILE A 32 15.761 9.443 1.493 1.00 1.43 C ATOM 0 H ILE A 32 16.004 6.131 3.592 1.00 2.13 H new ATOM 0 HA ILE A 32 16.298 5.641 0.718 1.00 33.31 H new ATOM 0 HB ILE A 32 17.579 7.908 2.289 1.00 63.23 H new ATOM 0 HG12 ILE A 32 16.711 8.717 -0.273 1.00 25.31 H new ATOM 0 HG13 ILE A 32 15.435 7.681 0.336 1.00 25.31 H new ATOM 0 HG21 ILE A 32 18.975 8.320 0.302 1.00 62.41 H new ATOM 0 HG22 ILE A 32 19.324 6.736 1.034 1.00 62.41 H new ATOM 0 HG23 ILE A 32 18.342 6.835 -0.447 1.00 62.41 H new ATOM 0 HD11 ILE A 32 15.026 10.018 0.930 1.00 1.43 H new ATOM 0 HD12 ILE A 32 15.295 9.040 2.392 1.00 1.43 H new ATOM 0 HD13 ILE A 32 16.591 10.091 1.774 1.00 1.43 H new ATOM 500 N ALA A 33 18.446 4.385 1.138 1.00 14.53 N ATOM 501 CA ALA A 33 19.538 3.469 1.440 1.00 3.32 C ATOM 502 C ALA A 33 20.872 4.026 0.953 1.00 72.21 C ATOM 503 O ALA A 33 21.136 4.066 -0.249 1.00 3.33 O ATOM 504 CB ALA A 33 19.273 2.107 0.816 1.00 11.31 C ATOM 0 H ALA A 33 18.175 4.408 0.155 1.00 14.53 H new ATOM 0 HA ALA A 33 19.595 3.355 2.523 1.00 3.32 H new ATOM 0 HB1 ALA A 33 20.097 1.433 1.050 1.00 11.31 H new ATOM 0 HB2 ALA A 33 18.345 1.698 1.216 1.00 11.31 H new ATOM 0 HB3 ALA A 33 19.187 2.213 -0.265 1.00 11.31 H new ATOM 510 N ARG A 34 21.708 4.454 1.893 1.00 51.31 N ATOM 511 CA ARG A 34 23.013 5.010 1.558 1.00 4.45 C ATOM 512 C ARG A 34 24.000 3.903 1.198 1.00 53.41 C ATOM 513 O ARG A 34 24.955 4.127 0.456 1.00 51.23 O ATOM 514 CB ARG A 34 23.557 5.831 2.729 1.00 1.14 C ATOM 515 CG ARG A 34 23.948 4.990 3.933 1.00 34.35 C ATOM 516 CD ARG A 34 24.325 5.860 5.122 1.00 31.43 C ATOM 517 NE ARG A 34 24.674 5.062 6.295 1.00 44.41 N ATOM 518 CZ ARG A 34 24.873 5.579 7.502 1.00 3.23 C ATOM 519 NH1 ARG A 34 24.757 6.886 7.695 1.00 23.11 N ATOM 520 NH2 ARG A 34 25.189 4.788 8.520 1.00 15.52 N ATOM 0 H ARG A 34 21.505 4.426 2.892 1.00 51.31 H new ATOM 0 HA ARG A 34 22.891 5.660 0.692 1.00 4.45 H new ATOM 0 HB2 ARG A 34 24.427 6.395 2.393 1.00 1.14 H new ATOM 0 HB3 ARG A 34 22.804 6.558 3.033 1.00 1.14 H new ATOM 0 HG2 ARG A 34 23.119 4.337 4.207 1.00 34.35 H new ATOM 0 HG3 ARG A 34 24.788 4.346 3.671 1.00 34.35 H new ATOM 0 HD2 ARG A 34 25.168 6.497 4.853 1.00 31.43 H new ATOM 0 HD3 ARG A 34 23.493 6.520 5.367 1.00 31.43 H new ATOM 0 HE ARG A 34 24.770 4.053 6.181 1.00 44.41 H new ATOM 0 HH11 ARG A 34 24.514 7.497 6.915 1.00 23.11 H new ATOM 0 HH12 ARG A 34 24.910 7.280 8.623 1.00 23.11 H new ATOM 0 HH21 ARG A 34 25.279 3.782 8.376 1.00 15.52 H new ATOM 0 HH22 ARG A 34 25.342 5.186 9.447 1.00 15.52 H new ATOM 534 N ASN A 35 23.761 2.709 1.730 1.00 71.14 N ATOM 535 CA ASN A 35 24.629 1.567 1.465 1.00 52.12 C ATOM 536 C ASN A 35 24.900 1.425 -0.030 1.00 5.42 C ATOM 537 O ASN A 35 26.043 1.470 -0.485 1.00 44.22 O ATOM 538 CB ASN A 35 23.995 0.283 2.003 1.00 22.24 C ATOM 539 CG ASN A 35 24.582 -0.136 3.337 1.00 24.24 C ATOM 540 OD1 ASN A 35 25.123 0.687 4.076 1.00 15.04 O ATOM 541 ND2 ASN A 35 24.479 -1.422 3.651 1.00 21.33 N ATOM 0 H ASN A 35 22.974 2.507 2.347 1.00 71.14 H new ATOM 0 HA ASN A 35 25.578 1.738 1.974 1.00 52.12 H new ATOM 0 HB2 ASN A 35 22.920 0.429 2.112 1.00 22.24 H new ATOM 0 HB3 ASN A 35 24.136 -0.520 1.279 1.00 22.24 H new ATOM 0 HD21 ASN A 35 24.856 -1.763 4.535 1.00 21.33 H new ATOM 0 HD22 ASN A 35 24.022 -2.069 3.008 1.00 21.33 H new ATOM 548 N PRO A 36 23.825 1.251 -0.813 1.00 24.23 N ATOM 549 CA PRO A 36 23.922 1.100 -2.268 1.00 13.34 C ATOM 550 C PRO A 36 24.336 2.395 -2.958 1.00 41.02 C ATOM 551 O PRO A 36 24.381 3.465 -2.350 1.00 32.51 O ATOM 552 CB PRO A 36 22.501 0.706 -2.678 1.00 53.33 C ATOM 553 CG PRO A 36 21.629 1.262 -1.606 1.00 54.31 C ATOM 554 CD PRO A 36 22.433 1.188 -0.338 1.00 30.42 C ATOM 0 HA PRO A 36 24.680 0.371 -2.553 1.00 13.34 H new ATOM 0 HB2 PRO A 36 22.242 1.119 -3.653 1.00 53.33 H new ATOM 0 HB3 PRO A 36 22.396 -0.376 -2.752 1.00 53.33 H new ATOM 0 HG2 PRO A 36 21.345 2.291 -1.828 1.00 54.31 H new ATOM 0 HG3 PRO A 36 20.706 0.689 -1.517 1.00 54.31 H new ATOM 0 HD2 PRO A 36 22.200 2.014 0.334 1.00 30.42 H new ATOM 0 HD3 PRO A 36 22.236 0.266 0.209 1.00 30.42 H new ATOM 562 N PRO A 37 24.647 2.299 -4.260 1.00 15.44 N ATOM 563 CA PRO A 37 25.062 3.454 -5.061 1.00 51.33 C ATOM 564 C PRO A 37 23.918 4.432 -5.305 1.00 54.25 C ATOM 565 O PRO A 37 24.142 5.613 -5.569 1.00 25.33 O ATOM 566 CB PRO A 37 25.518 2.825 -6.380 1.00 41.00 C ATOM 567 CG PRO A 37 24.771 1.539 -6.465 1.00 31.04 C ATOM 568 CD PRO A 37 24.615 1.057 -5.049 1.00 23.42 C ATOM 0 HA PRO A 37 25.834 4.039 -4.562 1.00 51.33 H new ATOM 0 HB2 PRO A 37 25.290 3.472 -7.227 1.00 41.00 H new ATOM 0 HB3 PRO A 37 26.595 2.658 -6.388 1.00 41.00 H new ATOM 0 HG2 PRO A 37 23.799 1.682 -6.938 1.00 31.04 H new ATOM 0 HG3 PRO A 37 25.314 0.811 -7.068 1.00 31.04 H new ATOM 0 HD2 PRO A 37 23.679 0.516 -4.909 1.00 23.42 H new ATOM 0 HD3 PRO A 37 25.420 0.379 -4.764 1.00 23.42 H new ATOM 576 N GLY A 38 22.689 3.932 -5.216 1.00 14.51 N ATOM 577 CA GLY A 38 21.527 4.776 -5.430 1.00 4.24 C ATOM 578 C GLY A 38 20.227 3.999 -5.373 1.00 65.31 C ATOM 579 O GLY A 38 19.667 3.637 -6.408 1.00 33.33 O ATOM 0 H GLY A 38 22.477 2.958 -5.000 1.00 14.51 H new ATOM 0 HA2 GLY A 38 21.510 5.563 -4.676 1.00 4.24 H new ATOM 0 HA3 GLY A 38 21.611 5.266 -6.400 1.00 4.24 H new ATOM 583 N PHE A 39 19.747 3.739 -4.162 1.00 1.25 N ATOM 584 CA PHE A 39 18.506 2.997 -3.974 1.00 21.20 C ATOM 585 C PHE A 39 17.767 3.479 -2.729 1.00 54.15 C ATOM 586 O PHE A 39 18.296 3.425 -1.620 1.00 31.21 O ATOM 587 CB PHE A 39 18.795 1.499 -3.861 1.00 24.45 C ATOM 588 CG PHE A 39 19.108 0.847 -5.177 1.00 41.12 C ATOM 589 CD1 PHE A 39 18.313 1.082 -6.287 1.00 62.25 C ATOM 590 CD2 PHE A 39 20.197 -0.001 -5.304 1.00 52.44 C ATOM 591 CE1 PHE A 39 18.598 0.484 -7.501 1.00 3.13 C ATOM 592 CE2 PHE A 39 20.487 -0.601 -6.515 1.00 41.41 C ATOM 593 CZ PHE A 39 19.686 -0.359 -7.614 1.00 62.13 C ATOM 0 H PHE A 39 20.199 4.031 -3.295 1.00 1.25 H new ATOM 0 HA PHE A 39 17.872 3.173 -4.843 1.00 21.20 H new ATOM 0 HB2 PHE A 39 19.634 1.349 -3.182 1.00 24.45 H new ATOM 0 HB3 PHE A 39 17.932 1.003 -3.415 1.00 24.45 H new ATOM 0 HD1 PHE A 39 17.461 1.740 -6.203 1.00 62.25 H new ATOM 0 HD2 PHE A 39 20.826 -0.195 -4.448 1.00 52.44 H new ATOM 0 HE1 PHE A 39 17.971 0.676 -8.359 1.00 3.13 H new ATOM 0 HE2 PHE A 39 21.339 -1.259 -6.602 1.00 41.41 H new ATOM 0 HZ PHE A 39 19.910 -0.828 -8.560 1.00 62.13 H new ATOM 603 N ALA A 40 16.540 3.952 -2.923 1.00 74.45 N ATOM 604 CA ALA A 40 15.726 4.442 -1.818 1.00 3.31 C ATOM 605 C ALA A 40 14.345 3.796 -1.824 1.00 11.43 C ATOM 606 O ALA A 40 13.894 3.281 -2.847 1.00 13.32 O ATOM 607 CB ALA A 40 15.603 5.957 -1.885 1.00 51.33 C ATOM 0 H ALA A 40 16.088 4.006 -3.836 1.00 74.45 H new ATOM 0 HA ALA A 40 16.221 4.169 -0.886 1.00 3.31 H new ATOM 0 HB1 ALA A 40 14.992 6.310 -1.054 1.00 51.33 H new ATOM 0 HB2 ALA A 40 16.594 6.406 -1.823 1.00 51.33 H new ATOM 0 HB3 ALA A 40 15.134 6.243 -2.826 1.00 51.33 H new ATOM 613 N PHE A 41 13.678 3.827 -0.675 1.00 30.43 N ATOM 614 CA PHE A 41 12.348 3.242 -0.547 1.00 50.31 C ATOM 615 C PHE A 41 11.374 4.239 0.074 1.00 35.54 C ATOM 616 O PHE A 41 11.748 5.039 0.932 1.00 65.34 O ATOM 617 CB PHE A 41 12.406 1.971 0.302 1.00 73.31 C ATOM 618 CG PHE A 41 12.355 0.707 -0.508 1.00 21.43 C ATOM 619 CD1 PHE A 41 13.467 0.275 -1.213 1.00 31.55 C ATOM 620 CD2 PHE A 41 11.195 -0.049 -0.564 1.00 62.43 C ATOM 621 CE1 PHE A 41 13.424 -0.889 -1.958 1.00 52.52 C ATOM 622 CE2 PHE A 41 11.146 -1.213 -1.308 1.00 23.42 C ATOM 623 CZ PHE A 41 12.262 -1.633 -2.007 1.00 15.24 C ATOM 0 H PHE A 41 14.036 4.251 0.181 1.00 30.43 H new ATOM 0 HA PHE A 41 11.992 2.987 -1.545 1.00 50.31 H new ATOM 0 HB2 PHE A 41 13.323 1.979 0.891 1.00 73.31 H new ATOM 0 HB3 PHE A 41 11.574 1.976 1.006 1.00 73.31 H new ATOM 0 HD1 PHE A 41 14.378 0.854 -1.180 1.00 31.55 H new ATOM 0 HD2 PHE A 41 10.320 0.275 -0.020 1.00 62.43 H new ATOM 0 HE1 PHE A 41 14.298 -1.216 -2.501 1.00 52.52 H new ATOM 0 HE2 PHE A 41 10.236 -1.794 -1.343 1.00 23.42 H new ATOM 0 HZ PHE A 41 12.225 -2.541 -2.590 1.00 15.24 H new ATOM 633 N VAL A 42 10.120 4.184 -0.365 1.00 21.23 N ATOM 634 CA VAL A 42 9.091 5.080 0.148 1.00 74.01 C ATOM 635 C VAL A 42 7.776 4.339 0.366 1.00 1.32 C ATOM 636 O VAL A 42 7.456 3.398 -0.358 1.00 71.51 O ATOM 637 CB VAL A 42 8.848 6.262 -0.809 1.00 42.14 C ATOM 638 CG1 VAL A 42 7.747 7.165 -0.275 1.00 11.00 C ATOM 639 CG2 VAL A 42 10.134 7.046 -1.024 1.00 23.31 C ATOM 0 H VAL A 42 9.793 3.528 -1.075 1.00 21.23 H new ATOM 0 HA VAL A 42 9.452 5.463 1.103 1.00 74.01 H new ATOM 0 HB VAL A 42 8.525 5.866 -1.772 1.00 42.14 H new ATOM 0 HG11 VAL A 42 7.590 7.994 -0.965 1.00 11.00 H new ATOM 0 HG12 VAL A 42 6.824 6.594 -0.178 1.00 11.00 H new ATOM 0 HG13 VAL A 42 8.037 7.555 0.701 1.00 11.00 H new ATOM 0 HG21 VAL A 42 9.944 7.877 -1.703 1.00 23.31 H new ATOM 0 HG22 VAL A 42 10.489 7.432 -0.068 1.00 23.31 H new ATOM 0 HG23 VAL A 42 10.891 6.391 -1.455 1.00 23.31 H new ATOM 649 N GLU A 43 7.019 4.772 1.369 1.00 13.22 N ATOM 650 CA GLU A 43 5.738 4.149 1.683 1.00 62.02 C ATOM 651 C GLU A 43 4.590 5.134 1.481 1.00 70.53 C ATOM 652 O GLU A 43 4.568 6.210 2.078 1.00 60.01 O ATOM 653 CB GLU A 43 5.736 3.634 3.124 1.00 54.23 C ATOM 654 CG GLU A 43 4.569 2.712 3.439 1.00 44.54 C ATOM 655 CD GLU A 43 4.792 1.900 4.699 1.00 10.05 C ATOM 656 OE1 GLU A 43 5.681 1.023 4.690 1.00 30.20 O ATOM 657 OE2 GLU A 43 4.078 2.141 5.695 1.00 73.21 O ATOM 0 H GLU A 43 7.270 5.551 1.978 1.00 13.22 H new ATOM 0 HA GLU A 43 5.596 3.308 1.004 1.00 62.02 H new ATOM 0 HB2 GLU A 43 6.669 3.103 3.312 1.00 54.23 H new ATOM 0 HB3 GLU A 43 5.710 4.485 3.805 1.00 54.23 H new ATOM 0 HG2 GLU A 43 3.661 3.305 3.549 1.00 44.54 H new ATOM 0 HG3 GLU A 43 4.408 2.036 2.599 1.00 44.54 H new ATOM 664 N PHE A 44 3.637 4.757 0.634 1.00 24.21 N ATOM 665 CA PHE A 44 2.486 5.606 0.351 1.00 4.21 C ATOM 666 C PHE A 44 1.236 5.079 1.050 1.00 65.24 C ATOM 667 O PHE A 44 0.803 3.954 0.802 1.00 24.14 O ATOM 668 CB PHE A 44 2.245 5.688 -1.158 1.00 10.45 C ATOM 669 CG PHE A 44 2.407 7.073 -1.716 1.00 43.20 C ATOM 670 CD1 PHE A 44 1.761 8.150 -1.131 1.00 42.51 C ATOM 671 CD2 PHE A 44 3.206 7.298 -2.825 1.00 62.15 C ATOM 672 CE1 PHE A 44 1.908 9.426 -1.644 1.00 23.54 C ATOM 673 CE2 PHE A 44 3.357 8.571 -3.342 1.00 64.02 C ATOM 674 CZ PHE A 44 2.708 9.636 -2.750 1.00 3.33 C ATOM 0 H PHE A 44 3.640 3.869 0.132 1.00 24.21 H new ATOM 0 HA PHE A 44 2.700 6.604 0.732 1.00 4.21 H new ATOM 0 HB2 PHE A 44 2.938 5.017 -1.666 1.00 10.45 H new ATOM 0 HB3 PHE A 44 1.238 5.332 -1.377 1.00 10.45 H new ATOM 0 HD1 PHE A 44 1.136 7.991 -0.265 1.00 42.51 H new ATOM 0 HD2 PHE A 44 3.717 6.469 -3.291 1.00 62.15 H new ATOM 0 HE1 PHE A 44 1.398 10.257 -1.180 1.00 23.54 H new ATOM 0 HE2 PHE A 44 3.982 8.732 -4.208 1.00 64.02 H new ATOM 0 HZ PHE A 44 2.826 10.632 -3.151 1.00 3.33 H new ATOM 684 N GLU A 45 0.663 5.900 1.923 1.00 12.33 N ATOM 685 CA GLU A 45 -0.536 5.516 2.659 1.00 73.04 C ATOM 686 C GLU A 45 -1.615 5.001 1.710 1.00 63.23 C ATOM 687 O GLU A 45 -2.390 4.110 2.059 1.00 44.13 O ATOM 688 CB GLU A 45 -1.072 6.704 3.461 1.00 73.34 C ATOM 689 CG GLU A 45 -1.470 7.890 2.599 1.00 42.41 C ATOM 690 CD GLU A 45 -2.016 9.047 3.414 1.00 24.41 C ATOM 691 OE1 GLU A 45 -1.815 9.051 4.647 1.00 75.14 O ATOM 692 OE2 GLU A 45 -2.643 9.948 2.819 1.00 61.54 O ATOM 0 H GLU A 45 1.009 6.835 2.138 1.00 12.33 H new ATOM 0 HA GLU A 45 -0.268 4.714 3.347 1.00 73.04 H new ATOM 0 HB2 GLU A 45 -1.937 6.380 4.040 1.00 73.34 H new ATOM 0 HB3 GLU A 45 -0.312 7.023 4.174 1.00 73.34 H new ATOM 0 HG2 GLU A 45 -0.604 8.228 2.030 1.00 42.41 H new ATOM 0 HG3 GLU A 45 -2.222 7.573 1.876 1.00 42.41 H new ATOM 699 N ASP A 46 -1.658 5.568 0.509 1.00 21.13 N ATOM 700 CA ASP A 46 -2.640 5.167 -0.491 1.00 73.40 C ATOM 701 C ASP A 46 -1.955 4.736 -1.784 1.00 44.40 C ATOM 702 O ASP A 46 -0.894 5.242 -2.151 1.00 24.13 O ATOM 703 CB ASP A 46 -3.612 6.314 -0.772 1.00 1.03 C ATOM 704 CG ASP A 46 -5.025 5.999 -0.323 1.00 33.21 C ATOM 705 OD1 ASP A 46 -5.181 5.317 0.711 1.00 24.15 O ATOM 706 OD2 ASP A 46 -5.976 6.433 -1.007 1.00 11.24 O ATOM 0 H ASP A 46 -1.024 6.307 0.205 1.00 21.13 H new ATOM 0 HA ASP A 46 -3.197 4.318 -0.096 1.00 73.40 H new ATOM 0 HB2 ASP A 46 -3.265 7.213 -0.264 1.00 1.03 H new ATOM 0 HB3 ASP A 46 -3.613 6.532 -1.840 1.00 1.03 H new ATOM 711 N PRO A 47 -2.573 3.780 -2.492 1.00 61.41 N ATOM 712 CA PRO A 47 -2.040 3.260 -3.755 1.00 23.22 C ATOM 713 C PRO A 47 -2.119 4.283 -4.883 1.00 34.23 C ATOM 714 O PRO A 47 -1.157 4.478 -5.626 1.00 33.15 O ATOM 715 CB PRO A 47 -2.944 2.061 -4.055 1.00 4.41 C ATOM 716 CG PRO A 47 -4.221 2.365 -3.351 1.00 20.32 C ATOM 717 CD PRO A 47 -3.841 3.132 -2.115 1.00 5.11 C ATOM 0 HA PRO A 47 -0.983 3.005 -3.677 1.00 23.22 H new ATOM 0 HB2 PRO A 47 -3.101 1.942 -5.127 1.00 4.41 H new ATOM 0 HB3 PRO A 47 -2.503 1.132 -3.693 1.00 4.41 H new ATOM 0 HG2 PRO A 47 -4.886 2.952 -3.985 1.00 20.32 H new ATOM 0 HG3 PRO A 47 -4.752 1.449 -3.094 1.00 20.32 H new ATOM 0 HD2 PRO A 47 -4.602 3.864 -1.847 1.00 5.11 H new ATOM 0 HD3 PRO A 47 -3.716 2.473 -1.256 1.00 5.11 H new ATOM 725 N ARG A 48 -3.272 4.934 -5.005 1.00 23.34 N ATOM 726 CA ARG A 48 -3.477 5.937 -6.043 1.00 24.51 C ATOM 727 C ARG A 48 -2.346 6.961 -6.040 1.00 0.34 C ATOM 728 O ARG A 48 -1.806 7.308 -7.090 1.00 63.32 O ATOM 729 CB ARG A 48 -4.819 6.642 -5.843 1.00 32.14 C ATOM 730 CG ARG A 48 -4.989 7.246 -4.458 1.00 50.55 C ATOM 731 CD ARG A 48 -6.426 7.135 -3.974 1.00 73.14 C ATOM 732 NE ARG A 48 -7.370 7.725 -4.920 1.00 62.12 N ATOM 733 CZ ARG A 48 -8.596 8.114 -4.589 1.00 71.31 C ATOM 734 NH1 ARG A 48 -9.025 7.976 -3.342 1.00 43.10 N ATOM 735 NH2 ARG A 48 -9.396 8.642 -5.506 1.00 52.04 N ATOM 0 H ARG A 48 -4.078 4.785 -4.398 1.00 23.34 H new ATOM 0 HA ARG A 48 -3.482 5.430 -7.008 1.00 24.51 H new ATOM 0 HB2 ARG A 48 -4.920 7.430 -6.589 1.00 32.14 H new ATOM 0 HB3 ARG A 48 -5.624 5.929 -6.021 1.00 32.14 H new ATOM 0 HG2 ARG A 48 -4.327 6.740 -3.755 1.00 50.55 H new ATOM 0 HG3 ARG A 48 -4.691 8.294 -4.478 1.00 50.55 H new ATOM 0 HD2 ARG A 48 -6.676 6.085 -3.819 1.00 73.14 H new ATOM 0 HD3 ARG A 48 -6.523 7.631 -3.008 1.00 73.14 H new ATOM 0 HE ARG A 48 -7.071 7.845 -5.888 1.00 62.12 H new ATOM 0 HH11 ARG A 48 -8.413 7.570 -2.634 1.00 43.10 H new ATOM 0 HH12 ARG A 48 -9.967 8.276 -3.091 1.00 43.10 H new ATOM 0 HH21 ARG A 48 -9.070 8.750 -6.466 1.00 52.04 H new ATOM 0 HH22 ARG A 48 -10.337 8.940 -5.251 1.00 52.04 H new ATOM 749 N ASP A 49 -1.994 7.442 -4.852 1.00 52.44 N ATOM 750 CA ASP A 49 -0.928 8.427 -4.712 1.00 3.11 C ATOM 751 C ASP A 49 0.394 7.876 -5.239 1.00 15.01 C ATOM 752 O ASP A 49 1.194 8.607 -5.820 1.00 44.34 O ATOM 753 CB ASP A 49 -0.775 8.839 -3.247 1.00 3.11 C ATOM 754 CG ASP A 49 -2.106 9.142 -2.589 1.00 14.14 C ATOM 755 OD1 ASP A 49 -3.050 9.529 -3.309 1.00 63.25 O ATOM 756 OD2 ASP A 49 -2.205 8.993 -1.352 1.00 40.54 O ATOM 0 H ASP A 49 -2.431 7.166 -3.973 1.00 52.44 H new ATOM 0 HA ASP A 49 -1.197 9.303 -5.302 1.00 3.11 H new ATOM 0 HB2 ASP A 49 -0.275 8.041 -2.698 1.00 3.11 H new ATOM 0 HB3 ASP A 49 -0.134 9.718 -3.185 1.00 3.11 H new ATOM 761 N ALA A 50 0.615 6.582 -5.030 1.00 54.30 N ATOM 762 CA ALA A 50 1.838 5.933 -5.485 1.00 11.23 C ATOM 763 C ALA A 50 1.815 5.714 -6.994 1.00 32.34 C ATOM 764 O ALA A 50 2.821 5.910 -7.673 1.00 44.15 O ATOM 765 CB ALA A 50 2.034 4.610 -4.760 1.00 21.11 C ATOM 0 H ALA A 50 -0.037 5.963 -4.549 1.00 54.30 H new ATOM 0 HA ALA A 50 2.677 6.590 -5.253 1.00 11.23 H new ATOM 0 HB1 ALA A 50 2.951 4.136 -5.110 1.00 21.11 H new ATOM 0 HB2 ALA A 50 2.105 4.790 -3.687 1.00 21.11 H new ATOM 0 HB3 ALA A 50 1.187 3.955 -4.963 1.00 21.11 H new ATOM 771 N GLU A 51 0.660 5.305 -7.510 1.00 20.21 N ATOM 772 CA GLU A 51 0.508 5.057 -8.939 1.00 10.41 C ATOM 773 C GLU A 51 0.803 6.320 -9.744 1.00 72.30 C ATOM 774 O GLU A 51 1.519 6.278 -10.744 1.00 62.54 O ATOM 775 CB GLU A 51 -0.907 4.562 -9.246 1.00 10.54 C ATOM 776 CG GLU A 51 -0.969 3.568 -10.392 1.00 63.53 C ATOM 777 CD GLU A 51 -1.705 2.295 -10.022 1.00 21.25 C ATOM 778 OE1 GLU A 51 -1.314 1.651 -9.026 1.00 3.02 O ATOM 779 OE2 GLU A 51 -2.673 1.943 -10.728 1.00 11.12 O ATOM 0 H GLU A 51 -0.183 5.139 -6.961 1.00 20.21 H new ATOM 0 HA GLU A 51 1.224 4.287 -9.227 1.00 10.41 H new ATOM 0 HB2 GLU A 51 -1.323 4.098 -8.351 1.00 10.54 H new ATOM 0 HB3 GLU A 51 -1.538 5.418 -9.484 1.00 10.54 H new ATOM 0 HG2 GLU A 51 -1.462 4.033 -11.245 1.00 63.53 H new ATOM 0 HG3 GLU A 51 0.044 3.319 -10.707 1.00 63.53 H new ATOM 786 N ASP A 52 0.245 7.441 -9.301 1.00 32.34 N ATOM 787 CA ASP A 52 0.447 8.716 -9.979 1.00 25.24 C ATOM 788 C ASP A 52 1.864 9.234 -9.749 1.00 14.41 C ATOM 789 O ASP A 52 2.561 9.603 -10.693 1.00 51.34 O ATOM 790 CB ASP A 52 -0.572 9.746 -9.489 1.00 62.30 C ATOM 791 CG ASP A 52 -1.985 9.415 -9.927 1.00 31.24 C ATOM 792 OD1 ASP A 52 -2.288 9.575 -11.128 1.00 5.11 O ATOM 793 OD2 ASP A 52 -2.788 8.995 -9.068 1.00 75.21 O ATOM 0 H ASP A 52 -0.351 7.493 -8.475 1.00 32.34 H new ATOM 0 HA ASP A 52 0.306 8.558 -11.048 1.00 25.24 H new ATOM 0 HB2 ASP A 52 -0.535 9.800 -8.401 1.00 62.30 H new ATOM 0 HB3 ASP A 52 -0.299 10.731 -9.867 1.00 62.30 H new ATOM 798 N ALA A 53 2.281 9.260 -8.488 1.00 5.35 N ATOM 799 CA ALA A 53 3.614 9.733 -8.134 1.00 23.31 C ATOM 800 C ALA A 53 4.689 8.965 -8.897 1.00 10.54 C ATOM 801 O ALA A 53 5.597 9.561 -9.478 1.00 35.42 O ATOM 802 CB ALA A 53 3.838 9.608 -6.634 1.00 72.31 C ATOM 0 H ALA A 53 1.715 8.959 -7.694 1.00 5.35 H new ATOM 0 HA ALA A 53 3.686 10.784 -8.414 1.00 23.31 H new ATOM 0 HB1 ALA A 53 4.837 9.965 -6.384 1.00 72.31 H new ATOM 0 HB2 ALA A 53 3.096 10.206 -6.104 1.00 72.31 H new ATOM 0 HB3 ALA A 53 3.741 8.564 -6.337 1.00 72.31 H new ATOM 808 N VAL A 54 4.581 7.641 -8.890 1.00 60.41 N ATOM 809 CA VAL A 54 5.544 6.792 -9.582 1.00 34.32 C ATOM 810 C VAL A 54 5.455 6.978 -11.092 1.00 51.13 C ATOM 811 O VAL A 54 6.470 7.147 -11.768 1.00 2.22 O ATOM 812 CB VAL A 54 5.324 5.305 -9.245 1.00 63.24 C ATOM 813 CG1 VAL A 54 6.226 4.425 -10.098 1.00 41.51 C ATOM 814 CG2 VAL A 54 5.566 5.053 -7.765 1.00 34.23 C ATOM 0 H VAL A 54 3.837 7.132 -8.413 1.00 60.41 H new ATOM 0 HA VAL A 54 6.534 7.092 -9.240 1.00 34.32 H new ATOM 0 HB VAL A 54 4.289 5.049 -9.469 1.00 63.24 H new ATOM 0 HG11 VAL A 54 6.057 3.378 -9.846 1.00 41.51 H new ATOM 0 HG12 VAL A 54 6.000 4.586 -11.152 1.00 41.51 H new ATOM 0 HG13 VAL A 54 7.269 4.680 -9.908 1.00 41.51 H new ATOM 0 HG21 VAL A 54 5.406 3.998 -7.545 1.00 34.23 H new ATOM 0 HG22 VAL A 54 6.591 5.325 -7.512 1.00 34.23 H new ATOM 0 HG23 VAL A 54 4.875 5.655 -7.176 1.00 34.23 H new ATOM 824 N ARG A 55 4.234 6.947 -11.616 1.00 71.42 N ATOM 825 CA ARG A 55 4.012 7.111 -13.048 1.00 3.43 C ATOM 826 C ARG A 55 4.698 8.374 -13.562 1.00 74.11 C ATOM 827 O ARG A 55 5.277 8.380 -14.647 1.00 60.24 O ATOM 828 CB ARG A 55 2.514 7.173 -13.350 1.00 32.44 C ATOM 829 CG ARG A 55 1.882 5.809 -13.577 1.00 62.10 C ATOM 830 CD ARG A 55 0.366 5.875 -13.485 1.00 13.12 C ATOM 831 NE ARG A 55 -0.273 5.599 -14.769 1.00 13.43 N ATOM 832 CZ ARG A 55 -1.555 5.275 -14.897 1.00 40.01 C ATOM 833 NH1 ARG A 55 -2.330 5.187 -13.825 1.00 74.53 N ATOM 834 NH2 ARG A 55 -2.064 5.039 -16.100 1.00 24.23 N ATOM 0 H ARG A 55 3.383 6.810 -11.070 1.00 71.42 H new ATOM 0 HA ARG A 55 4.443 6.250 -13.558 1.00 3.43 H new ATOM 0 HB2 ARG A 55 2.005 7.667 -12.522 1.00 32.44 H new ATOM 0 HB3 ARG A 55 2.355 7.789 -14.235 1.00 32.44 H new ATOM 0 HG2 ARG A 55 2.172 5.431 -14.557 1.00 62.10 H new ATOM 0 HG3 ARG A 55 2.262 5.103 -12.838 1.00 62.10 H new ATOM 0 HD2 ARG A 55 0.016 5.156 -12.744 1.00 13.12 H new ATOM 0 HD3 ARG A 55 0.067 6.863 -13.136 1.00 13.12 H new ATOM 0 HE ARG A 55 0.296 5.658 -15.613 1.00 13.43 H new ATOM 0 HH11 ARG A 55 -1.942 5.368 -12.899 1.00 74.53 H new ATOM 0 HH12 ARG A 55 -3.314 4.938 -13.926 1.00 74.53 H new ATOM 0 HH21 ARG A 55 -1.471 5.106 -16.927 1.00 24.23 H new ATOM 0 HH22 ARG A 55 -3.048 4.790 -16.197 1.00 24.23 H new ATOM 848 N GLY A 56 4.626 9.443 -12.774 1.00 64.15 N ATOM 849 CA GLY A 56 5.243 10.696 -13.167 1.00 42.35 C ATOM 850 C GLY A 56 6.738 10.711 -12.917 1.00 21.44 C ATOM 851 O GLY A 56 7.528 10.925 -13.837 1.00 52.03 O ATOM 0 H GLY A 56 4.152 9.463 -11.871 1.00 64.15 H new ATOM 0 HA2 GLY A 56 5.053 10.874 -14.225 1.00 42.35 H new ATOM 0 HA3 GLY A 56 4.778 11.514 -12.617 1.00 42.35 H new ATOM 855 N LEU A 57 7.129 10.484 -11.667 1.00 73.54 N ATOM 856 CA LEU A 57 8.540 10.473 -11.297 1.00 73.40 C ATOM 857 C LEU A 57 9.339 9.560 -12.222 1.00 55.12 C ATOM 858 O LEU A 57 10.478 9.863 -12.577 1.00 31.11 O ATOM 859 CB LEU A 57 8.703 10.016 -9.846 1.00 50.12 C ATOM 860 CG LEU A 57 8.730 11.124 -8.793 1.00 14.21 C ATOM 861 CD1 LEU A 57 7.550 12.066 -8.979 1.00 32.35 C ATOM 862 CD2 LEU A 57 8.724 10.529 -7.392 1.00 61.04 C ATOM 0 H LEU A 57 6.489 10.305 -10.893 1.00 73.54 H new ATOM 0 HA LEU A 57 8.925 11.488 -11.398 1.00 73.40 H new ATOM 0 HB2 LEU A 57 7.887 9.335 -9.607 1.00 50.12 H new ATOM 0 HB3 LEU A 57 9.628 9.445 -9.768 1.00 50.12 H new ATOM 0 HG LEU A 57 9.649 11.696 -8.919 1.00 14.21 H new ATOM 0 HD11 LEU A 57 7.586 12.848 -8.221 1.00 32.35 H new ATOM 0 HD12 LEU A 57 7.598 12.518 -9.969 1.00 32.35 H new ATOM 0 HD13 LEU A 57 6.619 11.507 -8.880 1.00 32.35 H new ATOM 0 HD21 LEU A 57 8.743 11.332 -6.655 1.00 61.04 H new ATOM 0 HD22 LEU A 57 7.823 9.932 -7.254 1.00 61.04 H new ATOM 0 HD23 LEU A 57 9.602 9.896 -7.262 1.00 61.04 H new ATOM 874 N ASP A 58 8.733 8.444 -12.611 1.00 34.32 N ATOM 875 CA ASP A 58 9.386 7.488 -13.498 1.00 11.12 C ATOM 876 C ASP A 58 9.181 7.875 -14.959 1.00 42.41 C ATOM 877 O ASP A 58 10.092 7.755 -15.777 1.00 43.41 O ATOM 878 CB ASP A 58 8.846 6.079 -13.250 1.00 60.44 C ATOM 879 CG ASP A 58 9.395 5.067 -14.237 1.00 54.04 C ATOM 880 OD1 ASP A 58 10.471 4.496 -13.964 1.00 73.43 O ATOM 881 OD2 ASP A 58 8.748 4.847 -15.283 1.00 43.45 O ATOM 0 H ASP A 58 7.790 8.179 -12.326 1.00 34.32 H new ATOM 0 HA ASP A 58 10.455 7.502 -13.284 1.00 11.12 H new ATOM 0 HB2 ASP A 58 9.100 5.769 -12.236 1.00 60.44 H new ATOM 0 HB3 ASP A 58 7.758 6.093 -13.316 1.00 60.44 H new ATOM 886 N GLY A 59 7.977 8.340 -15.280 1.00 64.22 N ATOM 887 CA GLY A 59 7.674 8.736 -16.643 1.00 4.31 C ATOM 888 C GLY A 59 8.687 9.717 -17.200 1.00 13.41 C ATOM 889 O GLY A 59 9.093 9.612 -18.357 1.00 44.12 O ATOM 0 H GLY A 59 7.207 8.449 -14.621 1.00 64.22 H new ATOM 0 HA2 GLY A 59 7.644 7.850 -17.277 1.00 4.31 H new ATOM 0 HA3 GLY A 59 6.681 9.185 -16.676 1.00 4.31 H new ATOM 893 N LYS A 60 9.094 10.676 -16.376 1.00 4.45 N ATOM 894 CA LYS A 60 10.065 11.682 -16.791 1.00 61.21 C ATOM 895 C LYS A 60 10.980 12.066 -15.633 1.00 2.22 C ATOM 896 O LYS A 60 11.019 11.386 -14.607 1.00 41.23 O ATOM 897 CB LYS A 60 9.347 12.925 -17.322 1.00 64.21 C ATOM 898 CG LYS A 60 8.488 12.655 -18.545 1.00 32.11 C ATOM 899 CD LYS A 60 9.337 12.433 -19.785 1.00 52.45 C ATOM 900 CE LYS A 60 9.451 13.702 -20.617 1.00 35.02 C ATOM 901 NZ LYS A 60 9.230 13.437 -22.066 1.00 1.34 N ATOM 0 H LYS A 60 8.766 10.778 -15.416 1.00 4.45 H new ATOM 0 HA LYS A 60 10.676 11.255 -17.587 1.00 61.21 H new ATOM 0 HB2 LYS A 60 8.720 13.337 -16.532 1.00 64.21 H new ATOM 0 HB3 LYS A 60 10.088 13.685 -17.570 1.00 64.21 H new ATOM 0 HG2 LYS A 60 7.866 11.778 -18.367 1.00 32.11 H new ATOM 0 HG3 LYS A 60 7.814 13.496 -18.710 1.00 32.11 H new ATOM 0 HD2 LYS A 60 10.332 12.099 -19.491 1.00 52.45 H new ATOM 0 HD3 LYS A 60 8.899 11.638 -20.389 1.00 52.45 H new ATOM 0 HE2 LYS A 60 8.722 14.433 -20.266 1.00 35.02 H new ATOM 0 HE3 LYS A 60 10.438 14.142 -20.475 1.00 35.02 H new ATOM 0 HZ1 LYS A 60 9.316 14.326 -22.599 1.00 1.34 H new ATOM 0 HZ2 LYS A 60 9.941 12.759 -22.407 1.00 1.34 H new ATOM 0 HZ3 LYS A 60 8.279 13.041 -22.205 1.00 1.34 H new ATOM 915 N VAL A 61 11.714 13.161 -15.803 1.00 4.23 N ATOM 916 CA VAL A 61 12.627 13.637 -14.770 1.00 41.53 C ATOM 917 C VAL A 61 11.947 14.656 -13.862 1.00 73.24 C ATOM 918 O VAL A 61 10.989 15.318 -14.264 1.00 2.03 O ATOM 919 CB VAL A 61 13.887 14.276 -15.386 1.00 33.44 C ATOM 920 CG1 VAL A 61 14.509 13.344 -16.415 1.00 12.32 C ATOM 921 CG2 VAL A 61 13.551 15.623 -16.007 1.00 65.13 C ATOM 0 H VAL A 61 11.694 13.735 -16.646 1.00 4.23 H new ATOM 0 HA VAL A 61 12.919 12.768 -14.181 1.00 41.53 H new ATOM 0 HB VAL A 61 14.616 14.440 -14.593 1.00 33.44 H new ATOM 0 HG11 VAL A 61 15.397 13.812 -16.839 1.00 12.32 H new ATOM 0 HG12 VAL A 61 14.787 12.406 -15.935 1.00 12.32 H new ATOM 0 HG13 VAL A 61 13.789 13.146 -17.209 1.00 12.32 H new ATOM 0 HG21 VAL A 61 14.452 16.060 -16.437 1.00 65.13 H new ATOM 0 HG22 VAL A 61 12.804 15.487 -16.789 1.00 65.13 H new ATOM 0 HG23 VAL A 61 13.155 16.289 -15.240 1.00 65.13 H new ATOM 931 N ILE A 62 12.448 14.776 -12.638 1.00 35.14 N ATOM 932 CA ILE A 62 11.889 15.715 -11.673 1.00 52.11 C ATOM 933 C ILE A 62 12.940 16.718 -11.210 1.00 20.13 C ATOM 934 O ILE A 62 13.908 16.353 -10.541 1.00 42.43 O ATOM 935 CB ILE A 62 11.315 14.985 -10.444 1.00 52.42 C ATOM 936 CG1 ILE A 62 10.853 15.997 -9.393 1.00 23.31 C ATOM 937 CG2 ILE A 62 12.352 14.039 -9.858 1.00 10.43 C ATOM 938 CD1 ILE A 62 9.830 16.982 -9.911 1.00 54.51 C ATOM 0 H ILE A 62 13.240 14.235 -12.291 1.00 35.14 H new ATOM 0 HA ILE A 62 11.082 16.245 -12.179 1.00 52.11 H new ATOM 0 HB ILE A 62 10.453 14.397 -10.758 1.00 52.42 H new ATOM 0 HG12 ILE A 62 10.430 15.460 -8.544 1.00 23.31 H new ATOM 0 HG13 ILE A 62 11.719 16.546 -9.024 1.00 23.31 H new ATOM 0 HG21 ILE A 62 11.932 13.531 -8.990 1.00 10.43 H new ATOM 0 HG22 ILE A 62 12.637 13.301 -10.608 1.00 10.43 H new ATOM 0 HG23 ILE A 62 13.232 14.606 -9.555 1.00 10.43 H new ATOM 0 HD11 ILE A 62 9.549 17.668 -9.112 1.00 54.51 H new ATOM 0 HD12 ILE A 62 10.256 17.546 -10.741 1.00 54.51 H new ATOM 0 HD13 ILE A 62 8.947 16.443 -10.254 1.00 54.51 H new ATOM 950 N CYS A 63 12.742 17.982 -11.567 1.00 62.35 N ATOM 951 CA CYS A 63 13.673 19.039 -11.187 1.00 71.45 C ATOM 952 C CYS A 63 15.107 18.651 -11.535 1.00 14.15 C ATOM 953 O CYS A 63 16.021 18.831 -10.731 1.00 72.31 O ATOM 954 CB CYS A 63 13.559 19.333 -9.691 1.00 42.00 C ATOM 955 SG CYS A 63 13.786 21.075 -9.262 1.00 64.21 S ATOM 0 H CYS A 63 11.945 18.300 -12.119 1.00 62.35 H new ATOM 0 HA CYS A 63 13.414 19.938 -11.747 1.00 71.45 H new ATOM 0 HB2 CYS A 63 12.579 19.008 -9.341 1.00 42.00 H new ATOM 0 HB3 CYS A 63 14.301 18.739 -9.157 1.00 42.00 H new ATOM 0 HG CYS A 63 13.670 21.224 -7.976 1.00 64.21 H new ATOM 961 N GLY A 64 15.295 18.117 -12.737 1.00 63.43 N ATOM 962 CA GLY A 64 16.620 17.710 -13.169 1.00 11.20 C ATOM 963 C GLY A 64 17.085 16.436 -12.492 1.00 53.10 C ATOM 964 O GLY A 64 18.284 16.222 -12.313 1.00 53.10 O ATOM 0 H GLY A 64 14.554 17.959 -13.420 1.00 63.43 H new ATOM 0 HA2 GLY A 64 16.618 17.564 -14.249 1.00 11.20 H new ATOM 0 HA3 GLY A 64 17.329 18.510 -12.957 1.00 11.20 H new ATOM 968 N SER A 65 16.134 15.588 -12.113 1.00 52.21 N ATOM 969 CA SER A 65 16.452 14.331 -11.447 1.00 30.22 C ATOM 970 C SER A 65 15.797 13.155 -12.165 1.00 30.44 C ATOM 971 O SER A 65 14.648 12.807 -11.890 1.00 3.24 O ATOM 972 CB SER A 65 15.993 14.372 -9.988 1.00 3.02 C ATOM 973 OG SER A 65 16.179 15.662 -9.431 1.00 62.11 O ATOM 0 H SER A 65 15.137 15.749 -12.256 1.00 52.21 H new ATOM 0 HA SER A 65 17.533 14.196 -11.477 1.00 30.22 H new ATOM 0 HB2 SER A 65 14.941 14.094 -9.927 1.00 3.02 H new ATOM 0 HB3 SER A 65 16.551 13.638 -9.407 1.00 3.02 H new ATOM 0 HG SER A 65 15.383 16.209 -9.599 1.00 62.11 H new ATOM 979 N ARG A 66 16.536 12.546 -13.086 1.00 23.10 N ATOM 980 CA ARG A 66 16.028 11.410 -13.845 1.00 21.51 C ATOM 981 C ARG A 66 16.147 10.120 -13.038 1.00 60.10 C ATOM 982 O ARG A 66 16.763 9.151 -13.483 1.00 11.20 O ATOM 983 CB ARG A 66 16.788 11.270 -15.165 1.00 64.40 C ATOM 984 CG ARG A 66 16.052 10.444 -16.207 1.00 42.04 C ATOM 985 CD ARG A 66 16.288 10.980 -17.611 1.00 25.41 C ATOM 986 NE ARG A 66 15.078 10.931 -18.426 1.00 70.34 N ATOM 987 CZ ARG A 66 15.066 11.146 -19.737 1.00 54.41 C ATOM 988 NH1 ARG A 66 16.193 11.424 -20.377 1.00 61.22 N ATOM 989 NH2 ARG A 66 13.924 11.084 -20.410 1.00 52.22 N ATOM 0 H ARG A 66 17.489 12.820 -13.325 1.00 23.10 H new ATOM 0 HA ARG A 66 14.974 11.590 -14.058 1.00 21.51 H new ATOM 0 HB2 ARG A 66 16.980 12.263 -15.571 1.00 64.40 H new ATOM 0 HB3 ARG A 66 17.758 10.812 -14.969 1.00 64.40 H new ATOM 0 HG2 ARG A 66 16.384 9.407 -16.152 1.00 42.04 H new ATOM 0 HG3 ARG A 66 14.984 10.449 -15.989 1.00 42.04 H new ATOM 0 HD2 ARG A 66 16.643 12.009 -17.551 1.00 25.41 H new ATOM 0 HD3 ARG A 66 17.074 10.399 -18.094 1.00 25.41 H new ATOM 0 HE ARG A 66 14.194 10.720 -17.964 1.00 70.34 H new ATOM 0 HH11 ARG A 66 17.073 11.473 -19.863 1.00 61.22 H new ATOM 0 HH12 ARG A 66 16.181 11.589 -21.384 1.00 61.22 H new ATOM 0 HH21 ARG A 66 13.055 10.871 -19.921 1.00 52.22 H new ATOM 0 HH22 ARG A 66 13.916 11.249 -21.416 1.00 52.22 H new ATOM 1003 N VAL A 67 15.554 10.115 -11.848 1.00 53.35 N ATOM 1004 CA VAL A 67 15.592 8.945 -10.979 1.00 44.24 C ATOM 1005 C VAL A 67 14.718 7.824 -11.528 1.00 74.24 C ATOM 1006 O VAL A 67 14.020 7.999 -12.527 1.00 52.53 O ATOM 1007 CB VAL A 67 15.129 9.291 -9.552 1.00 31.12 C ATOM 1008 CG1 VAL A 67 16.128 10.218 -8.876 1.00 33.33 C ATOM 1009 CG2 VAL A 67 13.742 9.916 -9.579 1.00 45.40 C ATOM 0 H VAL A 67 15.041 10.909 -11.464 1.00 53.35 H new ATOM 0 HA VAL A 67 16.628 8.609 -10.945 1.00 44.24 H new ATOM 0 HB VAL A 67 15.076 8.369 -8.972 1.00 31.12 H new ATOM 0 HG11 VAL A 67 15.784 10.451 -7.868 1.00 33.33 H new ATOM 0 HG12 VAL A 67 17.100 9.728 -8.823 1.00 33.33 H new ATOM 0 HG13 VAL A 67 16.217 11.139 -9.452 1.00 33.33 H new ATOM 0 HG21 VAL A 67 13.430 10.154 -8.562 1.00 45.40 H new ATOM 0 HG22 VAL A 67 13.766 10.829 -10.174 1.00 45.40 H new ATOM 0 HG23 VAL A 67 13.035 9.213 -10.020 1.00 45.40 H new ATOM 1019 N ARG A 68 14.760 6.671 -10.869 1.00 31.14 N ATOM 1020 CA ARG A 68 13.971 5.520 -11.291 1.00 24.41 C ATOM 1021 C ARG A 68 13.126 4.987 -10.138 1.00 21.05 C ATOM 1022 O ARG A 68 13.640 4.343 -9.223 1.00 3.44 O ATOM 1023 CB ARG A 68 14.887 4.414 -11.819 1.00 71.24 C ATOM 1024 CG ARG A 68 14.290 3.630 -12.977 1.00 32.14 C ATOM 1025 CD ARG A 68 13.403 2.498 -12.483 1.00 73.54 C ATOM 1026 NE ARG A 68 12.582 1.939 -13.554 1.00 53.35 N ATOM 1027 CZ ARG A 68 13.038 1.079 -14.458 1.00 50.11 C ATOM 1028 NH1 ARG A 68 14.302 0.680 -14.420 1.00 11.53 N ATOM 1029 NH2 ARG A 68 12.229 0.616 -15.402 1.00 62.44 N ATOM 0 H ARG A 68 15.332 6.509 -10.040 1.00 31.14 H new ATOM 0 HA ARG A 68 13.303 5.842 -12.089 1.00 24.41 H new ATOM 0 HB2 ARG A 68 15.830 4.857 -12.139 1.00 71.24 H new ATOM 0 HB3 ARG A 68 15.118 3.726 -11.006 1.00 71.24 H new ATOM 0 HG2 ARG A 68 13.708 4.300 -13.610 1.00 32.14 H new ATOM 0 HG3 ARG A 68 15.091 3.223 -13.594 1.00 32.14 H new ATOM 0 HD2 ARG A 68 14.024 1.712 -12.054 1.00 73.54 H new ATOM 0 HD3 ARG A 68 12.757 2.865 -11.685 1.00 73.54 H new ATOM 0 HE ARG A 68 11.605 2.225 -13.611 1.00 53.35 H new ATOM 0 HH11 ARG A 68 14.927 1.033 -13.695 1.00 11.53 H new ATOM 0 HH12 ARG A 68 14.649 0.020 -15.115 1.00 11.53 H new ATOM 0 HH21 ARG A 68 11.256 0.920 -15.434 1.00 62.44 H new ATOM 0 HH22 ARG A 68 12.580 -0.044 -16.096 1.00 62.44 H new ATOM 1043 N VAL A 69 11.826 5.260 -10.188 1.00 2.22 N ATOM 1044 CA VAL A 69 10.909 4.808 -9.148 1.00 42.42 C ATOM 1045 C VAL A 69 9.987 3.712 -9.668 1.00 34.31 C ATOM 1046 O VAL A 69 9.563 3.739 -10.823 1.00 3.41 O ATOM 1047 CB VAL A 69 10.054 5.971 -8.610 1.00 2.00 C ATOM 1048 CG1 VAL A 69 9.361 6.697 -9.752 1.00 53.53 C ATOM 1049 CG2 VAL A 69 9.040 5.461 -7.597 1.00 52.53 C ATOM 0 H VAL A 69 11.384 5.792 -10.938 1.00 2.22 H new ATOM 0 HA VAL A 69 11.520 4.411 -8.337 1.00 42.42 H new ATOM 0 HB VAL A 69 10.711 6.680 -8.107 1.00 2.00 H new ATOM 0 HG11 VAL A 69 8.762 7.515 -9.353 1.00 53.53 H new ATOM 0 HG12 VAL A 69 10.109 7.096 -10.437 1.00 53.53 H new ATOM 0 HG13 VAL A 69 8.714 6.001 -10.286 1.00 53.53 H new ATOM 0 HG21 VAL A 69 8.444 6.295 -7.227 1.00 52.53 H new ATOM 0 HG22 VAL A 69 8.386 4.731 -8.073 1.00 52.53 H new ATOM 0 HG23 VAL A 69 9.563 4.991 -6.764 1.00 52.53 H new ATOM 1059 N GLU A 70 9.679 2.747 -8.806 1.00 51.23 N ATOM 1060 CA GLU A 70 8.806 1.640 -9.179 1.00 50.45 C ATOM 1061 C GLU A 70 7.928 1.220 -8.004 1.00 61.33 C ATOM 1062 O GLU A 70 8.178 1.602 -6.860 1.00 73.51 O ATOM 1063 CB GLU A 70 9.635 0.449 -9.663 1.00 71.33 C ATOM 1064 CG GLU A 70 9.129 -0.158 -10.961 1.00 53.01 C ATOM 1065 CD GLU A 70 9.714 -1.530 -11.231 1.00 23.41 C ATOM 1066 OE1 GLU A 70 9.782 -2.344 -10.286 1.00 10.53 O ATOM 1067 OE2 GLU A 70 10.105 -1.791 -12.388 1.00 73.13 O ATOM 0 H GLU A 70 10.021 2.710 -7.846 1.00 51.23 H new ATOM 0 HA GLU A 70 8.160 1.977 -9.990 1.00 50.45 H new ATOM 0 HB2 GLU A 70 10.668 0.768 -9.800 1.00 71.33 H new ATOM 0 HB3 GLU A 70 9.638 -0.319 -8.890 1.00 71.33 H new ATOM 0 HG2 GLU A 70 8.042 -0.232 -10.924 1.00 53.01 H new ATOM 0 HG3 GLU A 70 9.375 0.507 -11.789 1.00 53.01 H new ATOM 1074 N LEU A 71 6.899 0.431 -8.295 1.00 0.52 N ATOM 1075 CA LEU A 71 5.983 -0.042 -7.263 1.00 55.32 C ATOM 1076 C LEU A 71 6.184 -1.530 -6.996 1.00 42.15 C ATOM 1077 O LEU A 71 5.843 -2.371 -7.828 1.00 22.54 O ATOM 1078 CB LEU A 71 4.534 0.222 -7.680 1.00 25.31 C ATOM 1079 CG LEU A 71 3.883 1.473 -7.090 1.00 45.55 C ATOM 1080 CD1 LEU A 71 3.335 2.361 -8.197 1.00 3.43 C ATOM 1081 CD2 LEU A 71 2.780 1.092 -6.115 1.00 21.45 C ATOM 0 H LEU A 71 6.678 0.106 -9.236 1.00 0.52 H new ATOM 0 HA LEU A 71 6.196 0.505 -6.344 1.00 55.32 H new ATOM 0 HB2 LEU A 71 4.498 0.296 -8.767 1.00 25.31 H new ATOM 0 HB3 LEU A 71 3.933 -0.643 -7.399 1.00 25.31 H new ATOM 0 HG LEU A 71 4.644 2.032 -6.545 1.00 45.55 H new ATOM 0 HD11 LEU A 71 2.875 3.247 -7.759 1.00 3.43 H new ATOM 0 HD12 LEU A 71 4.148 2.663 -8.857 1.00 3.43 H new ATOM 0 HD13 LEU A 71 2.589 1.810 -8.769 1.00 3.43 H new ATOM 0 HD21 LEU A 71 2.328 1.996 -5.705 1.00 21.45 H new ATOM 0 HD22 LEU A 71 2.019 0.510 -6.635 1.00 21.45 H new ATOM 0 HD23 LEU A 71 3.201 0.497 -5.304 1.00 21.45 H new ATOM 1093 N SER A 72 6.739 -1.847 -5.831 1.00 32.11 N ATOM 1094 CA SER A 72 6.987 -3.234 -5.455 1.00 3.11 C ATOM 1095 C SER A 72 5.679 -4.011 -5.350 1.00 33.21 C ATOM 1096 O SER A 72 5.652 -5.232 -5.513 1.00 41.41 O ATOM 1097 CB SER A 72 7.739 -3.297 -4.124 1.00 42.20 C ATOM 1098 OG SER A 72 8.097 -4.630 -3.803 1.00 2.20 O ATOM 0 H SER A 72 7.025 -1.163 -5.131 1.00 32.11 H new ATOM 0 HA SER A 72 7.599 -3.691 -6.232 1.00 3.11 H new ATOM 0 HB2 SER A 72 8.636 -2.680 -4.180 1.00 42.20 H new ATOM 0 HB3 SER A 72 7.116 -2.883 -3.331 1.00 42.20 H new ATOM 0 HG SER A 72 8.578 -4.643 -2.949 1.00 2.20 H new ATOM 1104 N THR A 73 4.593 -3.295 -5.076 1.00 34.12 N ATOM 1105 CA THR A 73 3.280 -3.916 -4.947 1.00 42.34 C ATOM 1106 C THR A 73 2.173 -2.950 -5.353 1.00 41.51 C ATOM 1107 O THR A 73 2.201 -1.773 -4.996 1.00 10.34 O ATOM 1108 CB THR A 73 3.024 -4.396 -3.506 1.00 44.23 C ATOM 1109 OG1 THR A 73 4.258 -4.787 -2.894 1.00 4.52 O ATOM 1110 CG2 THR A 73 2.052 -5.565 -3.490 1.00 72.32 C ATOM 0 H THR A 73 4.597 -2.284 -4.939 1.00 34.12 H new ATOM 0 HA THR A 73 3.271 -4.777 -5.615 1.00 42.34 H new ATOM 0 HB THR A 73 2.585 -3.571 -2.944 1.00 44.23 H new ATOM 0 HG1 THR A 73 4.087 -5.089 -1.978 1.00 4.52 H new ATOM 0 HG21 THR A 73 1.887 -5.887 -2.462 1.00 72.32 H new ATOM 0 HG22 THR A 73 1.104 -5.256 -3.930 1.00 72.32 H new ATOM 0 HG23 THR A 73 2.467 -6.392 -4.066 1.00 72.32 H new ATOM 1118 N GLY A 74 1.198 -3.455 -6.102 1.00 35.11 N ATOM 1119 CA GLY A 74 0.094 -2.623 -6.543 1.00 52.43 C ATOM 1120 C GLY A 74 0.302 -2.078 -7.943 1.00 34.43 C ATOM 1121 O GLY A 74 -0.329 -1.096 -8.334 1.00 24.33 O ATOM 0 H GLY A 74 1.153 -4.426 -6.411 1.00 35.11 H new ATOM 0 HA2 GLY A 74 -0.828 -3.204 -6.516 1.00 52.43 H new ATOM 0 HA3 GLY A 74 -0.031 -1.793 -5.848 1.00 52.43 H new ATOM 1125 N MET A 75 1.189 -2.717 -8.698 1.00 41.34 N ATOM 1126 CA MET A 75 1.478 -2.290 -10.062 1.00 45.35 C ATOM 1127 C MET A 75 1.184 -3.409 -11.056 1.00 43.14 C ATOM 1128 O MET A 75 2.055 -4.206 -11.406 1.00 42.33 O ATOM 1129 CB MET A 75 2.940 -1.855 -10.184 1.00 42.23 C ATOM 1130 CG MET A 75 3.355 -1.509 -11.605 1.00 70.43 C ATOM 1131 SD MET A 75 2.366 -0.178 -12.313 1.00 61.24 S ATOM 1132 CE MET A 75 2.955 -0.182 -14.005 1.00 1.11 C ATOM 0 H MET A 75 1.720 -3.531 -8.389 1.00 41.34 H new ATOM 0 HA MET A 75 0.833 -1.442 -10.295 1.00 45.35 H new ATOM 0 HB2 MET A 75 3.107 -0.988 -9.544 1.00 42.23 H new ATOM 0 HB3 MET A 75 3.581 -2.654 -9.812 1.00 42.23 H new ATOM 0 HG2 MET A 75 4.406 -1.219 -11.612 1.00 70.43 H new ATOM 0 HG3 MET A 75 3.265 -2.396 -12.232 1.00 70.43 H new ATOM 0 HE1 MET A 75 2.436 0.590 -14.573 1.00 1.11 H new ATOM 0 HE2 MET A 75 4.027 0.017 -14.018 1.00 1.11 H new ATOM 0 HE3 MET A 75 2.762 -1.156 -14.455 1.00 1.11 H new ATOM 1142 N PRO A 76 -0.072 -3.472 -11.523 1.00 23.53 N ATOM 1143 CA PRO A 76 -0.509 -4.490 -12.483 1.00 30.10 C ATOM 1144 C PRO A 76 0.098 -4.281 -13.866 1.00 62.10 C ATOM 1145 O PRO A 76 -0.110 -3.244 -14.495 1.00 52.33 O ATOM 1146 CB PRO A 76 -2.027 -4.303 -12.532 1.00 14.33 C ATOM 1147 CG PRO A 76 -2.247 -2.883 -12.137 1.00 43.11 C ATOM 1148 CD PRO A 76 -1.162 -2.555 -11.149 1.00 24.40 C ATOM 0 HA PRO A 76 -0.198 -5.491 -12.185 1.00 30.10 H new ATOM 0 HB2 PRO A 76 -2.418 -4.501 -13.530 1.00 14.33 H new ATOM 0 HB3 PRO A 76 -2.532 -4.987 -11.850 1.00 14.33 H new ATOM 0 HG2 PRO A 76 -2.197 -2.225 -13.004 1.00 43.11 H new ATOM 0 HG3 PRO A 76 -3.233 -2.750 -11.692 1.00 43.11 H new ATOM 0 HD2 PRO A 76 -0.853 -1.512 -11.223 1.00 24.40 H new ATOM 0 HD3 PRO A 76 -1.490 -2.718 -10.123 1.00 24.40 H new ATOM 1156 N ARG A 77 0.849 -5.273 -14.334 1.00 3.25 N ATOM 1157 CA ARG A 77 1.487 -5.197 -15.642 1.00 42.42 C ATOM 1158 C ARG A 77 1.455 -6.552 -16.343 1.00 12.24 C ATOM 1159 O ARG A 77 0.986 -7.541 -15.780 1.00 22.42 O ATOM 1160 CB ARG A 77 2.933 -4.718 -15.501 1.00 43.12 C ATOM 1161 CG ARG A 77 3.320 -3.644 -16.505 1.00 61.33 C ATOM 1162 CD ARG A 77 4.720 -3.113 -16.241 1.00 0.43 C ATOM 1163 NE ARG A 77 5.213 -2.294 -17.346 1.00 34.44 N ATOM 1164 CZ ARG A 77 5.581 -2.792 -18.521 1.00 53.40 C ATOM 1165 NH1 ARG A 77 5.512 -4.097 -18.743 1.00 52.14 N ATOM 1166 NH2 ARG A 77 6.019 -1.983 -19.477 1.00 55.43 N ATOM 0 H ARG A 77 1.030 -6.139 -13.826 1.00 3.25 H new ATOM 0 HA ARG A 77 0.931 -4.481 -16.248 1.00 42.42 H new ATOM 0 HB2 ARG A 77 3.082 -4.331 -14.493 1.00 43.12 H new ATOM 0 HB3 ARG A 77 3.602 -5.570 -15.618 1.00 43.12 H new ATOM 0 HG2 ARG A 77 3.269 -4.053 -17.514 1.00 61.33 H new ATOM 0 HG3 ARG A 77 2.604 -2.824 -16.457 1.00 61.33 H new ATOM 0 HD2 ARG A 77 4.717 -2.522 -15.325 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.400 -3.949 -16.078 1.00 0.43 H new ATOM 0 HE ARG A 77 5.278 -1.286 -17.208 1.00 34.44 H new ATOM 0 HH11 ARG A 77 5.176 -4.722 -18.010 1.00 52.14 H new ATOM 0 HH12 ARG A 77 5.795 -4.476 -19.646 1.00 52.14 H new ATOM 0 HH21 ARG A 77 6.073 -0.978 -19.310 1.00 55.43 H new ATOM 0 HH22 ARG A 77 6.302 -2.366 -20.379 1.00 55.43 H new ATOM 1180 N ARG A 78 1.955 -6.588 -17.573 1.00 61.23 N ATOM 1181 CA ARG A 78 1.982 -7.821 -18.351 1.00 72.11 C ATOM 1182 C ARG A 78 3.240 -8.628 -18.047 1.00 64.52 C ATOM 1183 O ARG A 78 3.184 -9.847 -17.886 1.00 30.54 O ATOM 1184 CB ARG A 78 1.913 -7.507 -19.847 1.00 21.23 C ATOM 1185 CG ARG A 78 3.034 -6.601 -20.331 1.00 75.51 C ATOM 1186 CD ARG A 78 4.161 -7.401 -20.966 1.00 54.44 C ATOM 1187 NE ARG A 78 3.855 -7.779 -22.343 1.00 54.25 N ATOM 1188 CZ ARG A 78 4.779 -8.117 -23.235 1.00 61.13 C ATOM 1189 NH1 ARG A 78 6.061 -8.125 -22.896 1.00 52.22 N ATOM 1190 NH2 ARG A 78 4.422 -8.449 -24.469 1.00 70.24 N ATOM 0 H ARG A 78 2.347 -5.778 -18.053 1.00 61.23 H new ATOM 0 HA ARG A 78 1.113 -8.417 -18.071 1.00 72.11 H new ATOM 0 HB2 ARG A 78 1.944 -8.441 -20.408 1.00 21.23 H new ATOM 0 HB3 ARG A 78 0.955 -7.035 -20.067 1.00 21.23 H new ATOM 0 HG2 ARG A 78 2.640 -5.887 -21.055 1.00 75.51 H new ATOM 0 HG3 ARG A 78 3.424 -6.023 -19.493 1.00 75.51 H new ATOM 0 HD2 ARG A 78 5.079 -6.813 -20.947 1.00 54.44 H new ATOM 0 HD3 ARG A 78 4.345 -8.299 -20.376 1.00 54.44 H new ATOM 0 HE ARG A 78 2.878 -7.784 -22.636 1.00 54.25 H new ATOM 0 HH11 ARG A 78 6.339 -7.871 -21.948 1.00 52.22 H new ATOM 0 HH12 ARG A 78 6.769 -8.385 -23.583 1.00 52.22 H new ATOM 0 HH21 ARG A 78 3.437 -8.445 -24.733 1.00 70.24 H new ATOM 0 HH22 ARG A 78 5.133 -8.708 -25.153 1.00 70.24 H new ATOM 1204 N SER A 79 4.375 -7.940 -17.972 1.00 30.25 N ATOM 1205 CA SER A 79 5.648 -8.594 -17.691 1.00 42.55 C ATOM 1206 C SER A 79 6.365 -7.911 -16.530 1.00 70.42 C ATOM 1207 O SER A 79 5.836 -6.983 -15.919 1.00 52.23 O ATOM 1208 CB SER A 79 6.538 -8.577 -18.936 1.00 5.05 C ATOM 1209 OG SER A 79 6.149 -9.583 -19.855 1.00 0.32 O ATOM 0 H SER A 79 4.439 -6.930 -18.102 1.00 30.25 H new ATOM 0 HA SER A 79 5.445 -9.628 -17.411 1.00 42.55 H new ATOM 0 HB2 SER A 79 6.479 -7.600 -19.415 1.00 5.05 H new ATOM 0 HB3 SER A 79 7.578 -8.728 -18.646 1.00 5.05 H new ATOM 0 HG SER A 79 6.732 -9.550 -20.642 1.00 0.32 H new ATOM 1215 N ARG A 80 7.572 -8.379 -16.231 1.00 64.55 N ATOM 1216 CA ARG A 80 8.362 -7.817 -15.143 1.00 43.50 C ATOM 1217 C ARG A 80 7.679 -8.049 -13.799 1.00 22.44 C ATOM 1218 O ARG A 80 8.040 -7.438 -12.793 1.00 1.12 O ATOM 1219 CB ARG A 80 8.580 -6.318 -15.364 1.00 74.41 C ATOM 1220 CG ARG A 80 9.019 -5.969 -16.776 1.00 44.43 C ATOM 1221 CD ARG A 80 10.398 -6.531 -17.086 1.00 30.02 C ATOM 1222 NE ARG A 80 11.321 -5.496 -17.544 1.00 21.13 N ATOM 1223 CZ ARG A 80 11.323 -5.008 -18.779 1.00 4.41 C ATOM 1224 NH1 ARG A 80 10.456 -5.457 -19.675 1.00 32.41 N ATOM 1225 NH2 ARG A 80 12.195 -4.067 -19.120 1.00 13.30 N ATOM 0 H ARG A 80 8.024 -9.147 -16.728 1.00 64.55 H new ATOM 0 HA ARG A 80 9.329 -8.321 -15.132 1.00 43.50 H new ATOM 0 HB2 ARG A 80 7.655 -5.788 -15.139 1.00 74.41 H new ATOM 0 HB3 ARG A 80 9.332 -5.961 -14.660 1.00 74.41 H new ATOM 0 HG2 ARG A 80 8.296 -6.362 -17.491 1.00 44.43 H new ATOM 0 HG3 ARG A 80 9.031 -4.886 -16.897 1.00 44.43 H new ATOM 0 HD2 ARG A 80 10.803 -7.009 -16.194 1.00 30.02 H new ATOM 0 HD3 ARG A 80 10.311 -7.303 -17.850 1.00 30.02 H new ATOM 0 HE ARG A 80 12.001 -5.128 -16.879 1.00 21.13 H new ATOM 0 HH11 ARG A 80 9.784 -6.180 -19.417 1.00 32.41 H new ATOM 0 HH12 ARG A 80 10.460 -5.080 -20.623 1.00 32.41 H new ATOM 0 HH21 ARG A 80 12.864 -3.719 -18.433 1.00 13.30 H new ATOM 0 HH22 ARG A 80 12.196 -3.692 -20.069 1.00 13.30 H new ATOM 1239 N PHE A 81 6.690 -8.937 -13.789 1.00 63.11 N ATOM 1240 CA PHE A 81 5.955 -9.250 -12.569 1.00 44.21 C ATOM 1241 C PHE A 81 5.720 -10.752 -12.446 1.00 73.41 C ATOM 1242 O PHE A 81 5.037 -11.354 -13.275 1.00 61.42 O ATOM 1243 CB PHE A 81 4.617 -8.509 -12.551 1.00 13.03 C ATOM 1244 CG PHE A 81 4.730 -7.077 -12.111 1.00 32.44 C ATOM 1245 CD1 PHE A 81 4.844 -6.759 -10.767 1.00 2.11 C ATOM 1246 CD2 PHE A 81 4.722 -6.050 -13.040 1.00 62.24 C ATOM 1247 CE1 PHE A 81 4.948 -5.442 -10.359 1.00 74.44 C ATOM 1248 CE2 PHE A 81 4.826 -4.732 -12.639 1.00 13.33 C ATOM 1249 CZ PHE A 81 4.940 -4.428 -11.296 1.00 54.44 C ATOM 0 H PHE A 81 6.379 -9.453 -14.612 1.00 63.11 H new ATOM 0 HA PHE A 81 6.554 -8.924 -11.719 1.00 44.21 H new ATOM 0 HB2 PHE A 81 4.180 -8.541 -13.549 1.00 13.03 H new ATOM 0 HB3 PHE A 81 3.930 -9.032 -11.886 1.00 13.03 H new ATOM 0 HD1 PHE A 81 4.852 -7.549 -10.030 1.00 2.11 H new ATOM 0 HD2 PHE A 81 4.633 -6.282 -14.091 1.00 62.24 H new ATOM 0 HE1 PHE A 81 5.035 -5.207 -9.309 1.00 74.44 H new ATOM 0 HE2 PHE A 81 4.818 -3.941 -13.374 1.00 13.33 H new ATOM 0 HZ PHE A 81 5.023 -3.399 -10.980 1.00 54.44 H new ATOM 1259 N ASP A 82 6.290 -11.351 -11.406 1.00 72.35 N ATOM 1260 CA ASP A 82 6.142 -12.783 -11.174 1.00 23.35 C ATOM 1261 C ASP A 82 4.931 -13.068 -10.291 1.00 60.30 C ATOM 1262 O ASP A 82 4.154 -13.983 -10.564 1.00 33.25 O ATOM 1263 CB ASP A 82 7.406 -13.349 -10.524 1.00 43.13 C ATOM 1264 CG ASP A 82 7.691 -12.726 -9.172 1.00 11.12 C ATOM 1265 OD1 ASP A 82 8.387 -11.690 -9.130 1.00 43.21 O ATOM 1266 OD2 ASP A 82 7.217 -13.274 -8.155 1.00 53.10 O ATOM 0 H ASP A 82 6.858 -10.867 -10.711 1.00 72.35 H new ATOM 0 HA ASP A 82 5.989 -13.268 -12.138 1.00 23.35 H new ATOM 0 HB2 ASP A 82 7.300 -14.428 -10.408 1.00 43.13 H new ATOM 0 HB3 ASP A 82 8.257 -13.181 -11.184 1.00 43.13 H new ATOM 1271 N ARG A 83 4.778 -12.280 -9.232 1.00 51.44 N ATOM 1272 CA ARG A 83 3.663 -12.449 -8.309 1.00 12.34 C ATOM 1273 C ARG A 83 2.553 -11.445 -8.606 1.00 40.33 C ATOM 1274 O ARG A 83 2.768 -10.417 -9.249 1.00 2.32 O ATOM 1275 CB ARG A 83 4.140 -12.284 -6.864 1.00 72.44 C ATOM 1276 CG ARG A 83 4.410 -13.603 -6.158 1.00 71.14 C ATOM 1277 CD ARG A 83 4.302 -13.459 -4.648 1.00 52.14 C ATOM 1278 NE ARG A 83 4.881 -14.601 -3.947 1.00 33.43 N ATOM 1279 CZ ARG A 83 4.857 -14.742 -2.626 1.00 14.20 C ATOM 1280 NH1 ARG A 83 4.285 -13.816 -1.868 1.00 31.41 N ATOM 1281 NH2 ARG A 83 5.405 -15.810 -2.061 1.00 51.00 N ATOM 0 H ARG A 83 5.412 -11.518 -8.992 1.00 51.44 H new ATOM 0 HA ARG A 83 3.265 -13.455 -8.441 1.00 12.34 H new ATOM 0 HB2 ARG A 83 5.050 -11.685 -6.857 1.00 72.44 H new ATOM 0 HB3 ARG A 83 3.388 -11.729 -6.303 1.00 72.44 H new ATOM 0 HG2 ARG A 83 3.700 -14.354 -6.505 1.00 71.14 H new ATOM 0 HG3 ARG A 83 5.406 -13.960 -6.420 1.00 71.14 H new ATOM 0 HD2 ARG A 83 4.808 -12.546 -4.334 1.00 52.14 H new ATOM 0 HD3 ARG A 83 3.254 -13.355 -4.368 1.00 52.14 H new ATOM 0 HE ARG A 83 5.329 -15.331 -4.502 1.00 33.43 H new ATOM 0 HH11 ARG A 83 3.862 -12.994 -2.299 1.00 31.41 H new ATOM 0 HH12 ARG A 83 4.268 -13.926 -0.854 1.00 31.41 H new ATOM 0 HH21 ARG A 83 5.846 -16.524 -2.641 1.00 51.00 H new ATOM 0 HH22 ARG A 83 5.386 -15.917 -1.047 1.00 51.00 H new ATOM 1295 N PRO A 84 1.337 -11.748 -8.129 1.00 74.03 N ATOM 1296 CA PRO A 84 0.169 -10.885 -8.332 1.00 21.11 C ATOM 1297 C PRO A 84 0.264 -9.586 -7.539 1.00 33.10 C ATOM 1298 O PRO A 84 0.666 -9.569 -6.375 1.00 55.23 O ATOM 1299 CB PRO A 84 -0.995 -11.739 -7.823 1.00 53.52 C ATOM 1300 CG PRO A 84 -0.378 -12.676 -6.843 1.00 52.33 C ATOM 1301 CD PRO A 84 1.008 -12.957 -7.355 1.00 14.50 C ATOM 0 HA PRO A 84 0.066 -10.576 -9.372 1.00 21.11 H new ATOM 0 HB2 PRO A 84 -1.762 -11.123 -7.353 1.00 53.52 H new ATOM 0 HB3 PRO A 84 -1.476 -12.279 -8.639 1.00 53.52 H new ATOM 0 HG2 PRO A 84 -0.344 -12.233 -5.848 1.00 52.33 H new ATOM 0 HG3 PRO A 84 -0.958 -13.595 -6.763 1.00 52.33 H new ATOM 0 HD2 PRO A 84 1.713 -13.116 -6.539 1.00 14.50 H new ATOM 0 HD3 PRO A 84 1.033 -13.852 -7.977 1.00 14.50 H new ATOM 1309 N PRO A 85 -0.115 -8.471 -8.181 1.00 0.00 N ATOM 1310 CA PRO A 85 -0.083 -7.147 -7.553 1.00 45.55 C ATOM 1311 C PRO A 85 -1.139 -6.995 -6.464 1.00 24.21 C ATOM 1312 O PRO A 85 -2.150 -7.697 -6.465 1.00 3.41 O ATOM 1313 CB PRO A 85 -0.375 -6.196 -8.717 1.00 5.41 C ATOM 1314 CG PRO A 85 -1.140 -7.018 -9.695 1.00 51.13 C ATOM 1315 CD PRO A 85 -0.604 -8.417 -9.569 1.00 35.33 C ATOM 0 HA PRO A 85 0.867 -6.955 -7.055 1.00 45.55 H new ATOM 0 HB2 PRO A 85 -0.953 -5.333 -8.387 1.00 5.41 H new ATOM 0 HB3 PRO A 85 0.546 -5.814 -9.156 1.00 5.41 H new ATOM 0 HG2 PRO A 85 -2.208 -6.988 -9.479 1.00 51.13 H new ATOM 0 HG3 PRO A 85 -1.010 -6.640 -10.709 1.00 51.13 H new ATOM 0 HD2 PRO A 85 -1.378 -9.162 -9.752 1.00 35.33 H new ATOM 0 HD3 PRO A 85 0.196 -8.607 -10.285 1.00 35.33 H new ATOM 1323 N ALA A 86 -0.897 -6.075 -5.536 1.00 30.11 N ATOM 1324 CA ALA A 86 -1.829 -5.830 -4.442 1.00 61.41 C ATOM 1325 C ALA A 86 -2.996 -4.962 -4.899 1.00 40.10 C ATOM 1326 O ALA A 86 -3.242 -3.892 -4.341 1.00 63.32 O ATOM 1327 CB ALA A 86 -1.109 -5.177 -3.272 1.00 21.24 C ATOM 0 H ALA A 86 -0.064 -5.487 -5.520 1.00 30.11 H new ATOM 0 HA ALA A 86 -2.230 -6.790 -4.117 1.00 61.41 H new ATOM 0 HB1 ALA A 86 -1.817 -5.000 -2.462 1.00 21.24 H new ATOM 0 HB2 ALA A 86 -0.314 -5.835 -2.921 1.00 21.24 H new ATOM 0 HB3 ALA A 86 -0.680 -4.228 -3.593 1.00 21.24 H new ATOM 1333 N ARG A 87 -3.712 -5.428 -5.917 1.00 64.41 N ATOM 1334 CA ARG A 87 -4.852 -4.693 -6.450 1.00 41.31 C ATOM 1335 C ARG A 87 -6.164 -5.369 -6.064 1.00 20.04 C ATOM 1336 O ARG A 87 -7.001 -4.778 -5.381 1.00 51.24 O ATOM 1337 CB ARG A 87 -4.750 -4.585 -7.973 1.00 32.43 C ATOM 1338 CG ARG A 87 -3.429 -4.009 -8.456 1.00 33.22 C ATOM 1339 CD ARG A 87 -3.412 -2.492 -8.352 1.00 20.24 C ATOM 1340 NE ARG A 87 -4.164 -1.861 -9.433 1.00 10.35 N ATOM 1341 CZ ARG A 87 -4.353 -0.549 -9.528 1.00 34.34 C ATOM 1342 NH1 ARG A 87 -3.848 0.265 -8.611 1.00 60.04 N ATOM 1343 NH2 ARG A 87 -5.049 -0.050 -10.541 1.00 14.00 N ATOM 0 H ARG A 87 -3.522 -6.312 -6.389 1.00 64.41 H new ATOM 0 HA ARG A 87 -4.839 -3.691 -6.020 1.00 41.31 H new ATOM 0 HB2 ARG A 87 -4.886 -5.575 -8.409 1.00 32.43 H new ATOM 0 HB3 ARG A 87 -5.565 -3.961 -8.340 1.00 32.43 H new ATOM 0 HG2 ARG A 87 -2.612 -4.424 -7.866 1.00 33.22 H new ATOM 0 HG3 ARG A 87 -3.258 -4.306 -9.491 1.00 33.22 H new ATOM 0 HD2 ARG A 87 -3.833 -2.190 -7.393 1.00 20.24 H new ATOM 0 HD3 ARG A 87 -2.381 -2.139 -8.373 1.00 20.24 H new ATOM 0 HE ARG A 87 -4.566 -2.460 -10.154 1.00 10.35 H new ATOM 0 HH11 ARG A 87 -3.313 -0.115 -7.830 1.00 60.04 H new ATOM 0 HH12 ARG A 87 -3.995 1.272 -8.686 1.00 60.04 H new ATOM 0 HH21 ARG A 87 -5.440 -0.673 -11.248 1.00 14.00 H new ATOM 0 HH22 ARG A 87 -5.194 0.957 -10.613 1.00 14.00 H new ATOM 1357 N ARG A 88 -6.336 -6.611 -6.505 1.00 0.23 N ATOM 1358 CA ARG A 88 -7.546 -7.367 -6.207 1.00 14.34 C ATOM 1359 C ARG A 88 -7.232 -8.850 -6.032 1.00 52.30 C ATOM 1360 O ARG A 88 -6.354 -9.393 -6.703 1.00 12.22 O ATOM 1361 CB ARG A 88 -8.577 -7.181 -7.322 1.00 11.33 C ATOM 1362 CG ARG A 88 -8.134 -7.746 -8.661 1.00 60.31 C ATOM 1363 CD ARG A 88 -8.944 -7.163 -9.808 1.00 14.42 C ATOM 1364 NE ARG A 88 -8.205 -7.185 -11.067 1.00 53.42 N ATOM 1365 CZ ARG A 88 -8.782 -7.089 -12.260 1.00 35.32 C ATOM 1366 NH1 ARG A 88 -10.099 -6.966 -12.355 1.00 11.42 N ATOM 1367 NH2 ARG A 88 -8.042 -7.117 -13.361 1.00 32.13 N ATOM 0 H ARG A 88 -5.652 -7.115 -7.070 1.00 0.23 H new ATOM 0 HA ARG A 88 -7.959 -6.988 -5.272 1.00 14.34 H new ATOM 0 HB2 ARG A 88 -9.510 -7.660 -7.026 1.00 11.33 H new ATOM 0 HB3 ARG A 88 -8.787 -6.118 -7.437 1.00 11.33 H new ATOM 0 HG2 ARG A 88 -7.076 -7.532 -8.815 1.00 60.31 H new ATOM 0 HG3 ARG A 88 -8.242 -8.831 -8.653 1.00 60.31 H new ATOM 0 HD2 ARG A 88 -9.870 -7.727 -9.921 1.00 14.42 H new ATOM 0 HD3 ARG A 88 -9.223 -6.137 -9.570 1.00 14.42 H new ATOM 0 HE ARG A 88 -7.190 -7.279 -11.029 1.00 53.42 H new ATOM 0 HH11 ARG A 88 -10.671 -6.945 -11.511 1.00 11.42 H new ATOM 0 HH12 ARG A 88 -10.540 -6.892 -13.272 1.00 11.42 H new ATOM 0 HH21 ARG A 88 -7.029 -7.212 -13.292 1.00 32.13 H new ATOM 0 HH22 ARG A 88 -8.486 -7.043 -14.276 1.00 32.13 H new ATOM 1381 N LYS A 89 -7.955 -9.500 -5.126 1.00 41.40 N ATOM 1382 CA LYS A 89 -7.755 -10.920 -4.863 1.00 11.35 C ATOM 1383 C LYS A 89 -7.798 -11.725 -6.157 1.00 55.34 C ATOM 1384 O LYS A 89 -6.989 -12.630 -6.365 1.00 51.21 O ATOM 1385 CB LYS A 89 -8.822 -11.435 -3.893 1.00 43.44 C ATOM 1386 CG LYS A 89 -10.226 -10.961 -4.227 1.00 21.12 C ATOM 1387 CD LYS A 89 -11.267 -11.646 -3.357 1.00 64.31 C ATOM 1388 CE LYS A 89 -12.235 -12.471 -4.192 1.00 24.05 C ATOM 1389 NZ LYS A 89 -13.322 -13.059 -3.361 1.00 3.44 N ATOM 0 H LYS A 89 -8.685 -9.066 -4.561 1.00 41.40 H new ATOM 0 HA LYS A 89 -6.771 -11.045 -4.411 1.00 11.35 H new ATOM 0 HB2 LYS A 89 -8.806 -12.525 -3.893 1.00 43.44 H new ATOM 0 HB3 LYS A 89 -8.569 -11.113 -2.883 1.00 43.44 H new ATOM 0 HG2 LYS A 89 -10.289 -9.882 -4.090 1.00 21.12 H new ATOM 0 HG3 LYS A 89 -10.439 -11.162 -5.277 1.00 21.12 H new ATOM 0 HD2 LYS A 89 -10.770 -12.290 -2.632 1.00 64.31 H new ATOM 0 HD3 LYS A 89 -11.820 -10.896 -2.791 1.00 64.31 H new ATOM 0 HE2 LYS A 89 -12.671 -11.843 -4.969 1.00 24.05 H new ATOM 0 HE3 LYS A 89 -11.691 -13.270 -4.696 1.00 24.05 H new ATOM 0 HZ1 LYS A 89 -13.960 -13.614 -3.966 1.00 3.44 H new ATOM 0 HZ2 LYS A 89 -12.908 -13.678 -2.635 1.00 3.44 H new ATOM 0 HZ3 LYS A 89 -13.858 -12.296 -2.900 1.00 3.44 H new ATOM 1403 N LEU A 90 -8.746 -11.389 -7.026 1.00 32.23 N ATOM 1404 CA LEU A 90 -8.894 -12.080 -8.302 1.00 21.20 C ATOM 1405 C LEU A 90 -9.079 -13.580 -8.091 1.00 44.53 C ATOM 1406 O LEU A 90 -8.114 -14.345 -8.121 1.00 30.02 O ATOM 1407 CB LEU A 90 -7.673 -11.825 -9.187 1.00 43.40 C ATOM 1408 CG LEU A 90 -7.808 -12.238 -10.653 1.00 1.20 C ATOM 1409 CD1 LEU A 90 -7.231 -11.166 -11.565 1.00 20.20 C ATOM 1410 CD2 LEU A 90 -7.121 -13.574 -10.896 1.00 54.10 C ATOM 0 H LEU A 90 -9.423 -10.642 -6.870 1.00 32.23 H new ATOM 0 HA LEU A 90 -9.783 -11.689 -8.798 1.00 21.20 H new ATOM 0 HB2 LEU A 90 -7.439 -10.761 -9.150 1.00 43.40 H new ATOM 0 HB3 LEU A 90 -6.822 -12.354 -8.758 1.00 43.40 H new ATOM 0 HG LEU A 90 -8.868 -12.350 -10.883 1.00 1.20 H new ATOM 0 HD11 LEU A 90 -7.336 -11.477 -12.604 1.00 20.20 H new ATOM 0 HD12 LEU A 90 -7.767 -10.230 -11.411 1.00 20.20 H new ATOM 0 HD13 LEU A 90 -6.176 -11.022 -11.334 1.00 20.20 H new ATOM 0 HD21 LEU A 90 -7.227 -13.852 -11.945 1.00 54.10 H new ATOM 0 HD22 LEU A 90 -6.063 -13.489 -10.648 1.00 54.10 H new ATOM 0 HD23 LEU A 90 -7.580 -14.339 -10.269 1.00 54.10 H new ATOM 1422 N LEU A 91 -10.323 -13.993 -7.881 1.00 33.13 N ATOM 1423 CA LEU A 91 -10.636 -15.402 -7.667 1.00 63.05 C ATOM 1424 C LEU A 91 -11.934 -15.784 -8.370 1.00 74.31 C ATOM 1425 O LEU A 91 -12.014 -16.824 -9.023 1.00 55.15 O ATOM 1426 CB LEU A 91 -10.745 -15.700 -6.171 1.00 54.50 C ATOM 1427 CG LEU A 91 -10.272 -17.084 -5.725 1.00 55.34 C ATOM 1428 CD1 LEU A 91 -11.056 -18.172 -6.442 1.00 52.05 C ATOM 1429 CD2 LEU A 91 -8.780 -17.244 -5.978 1.00 34.24 C ATOM 0 H LEU A 91 -11.132 -13.373 -7.854 1.00 33.13 H new ATOM 0 HA LEU A 91 -9.827 -15.997 -8.091 1.00 63.05 H new ATOM 0 HB2 LEU A 91 -10.170 -14.950 -5.629 1.00 54.50 H new ATOM 0 HB3 LEU A 91 -11.786 -15.580 -5.872 1.00 54.50 H new ATOM 0 HG LEU A 91 -10.451 -17.181 -4.654 1.00 55.34 H new ATOM 0 HD11 LEU A 91 -10.706 -19.150 -6.112 1.00 52.05 H new ATOM 0 HD12 LEU A 91 -12.116 -18.069 -6.211 1.00 52.05 H new ATOM 0 HD13 LEU A 91 -10.909 -18.078 -7.518 1.00 52.05 H new ATOM 0 HD21 LEU A 91 -8.460 -18.235 -5.655 1.00 34.24 H new ATOM 0 HD22 LEU A 91 -8.577 -17.127 -7.042 1.00 34.24 H new ATOM 0 HD23 LEU A 91 -8.233 -16.486 -5.418 1.00 34.24 H new ATOM 1441 N GLU A 92 -12.948 -14.935 -8.232 1.00 70.22 N ATOM 1442 CA GLU A 92 -14.243 -15.184 -8.855 1.00 65.45 C ATOM 1443 C GLU A 92 -14.124 -15.181 -10.377 1.00 25.32 C ATOM 1444 O GLU A 92 -14.893 -15.845 -11.072 1.00 42.33 O ATOM 1445 CB GLU A 92 -15.259 -14.131 -8.410 1.00 51.03 C ATOM 1446 CG GLU A 92 -16.547 -14.722 -7.861 1.00 41.43 C ATOM 1447 CD GLU A 92 -17.252 -13.789 -6.896 1.00 5.52 C ATOM 1448 OE1 GLU A 92 -16.904 -13.802 -5.697 1.00 11.04 O ATOM 1449 OE2 GLU A 92 -18.151 -13.044 -7.340 1.00 63.45 O ATOM 0 H GLU A 92 -12.898 -14.069 -7.695 1.00 70.22 H new ATOM 0 HA GLU A 92 -14.587 -16.168 -8.536 1.00 65.45 H new ATOM 0 HB2 GLU A 92 -14.805 -13.500 -7.647 1.00 51.03 H new ATOM 0 HB3 GLU A 92 -15.497 -13.487 -9.257 1.00 51.03 H new ATOM 0 HG2 GLU A 92 -17.217 -14.956 -8.689 1.00 41.43 H new ATOM 0 HG3 GLU A 92 -16.325 -15.662 -7.355 1.00 41.43 H new ATOM 1456 N VAL A 93 -13.154 -14.429 -10.887 1.00 43.11 N ATOM 1457 CA VAL A 93 -12.933 -14.339 -12.325 1.00 45.25 C ATOM 1458 C VAL A 93 -11.856 -15.319 -12.778 1.00 41.44 C ATOM 1459 O VAL A 93 -10.950 -15.658 -12.016 1.00 63.33 O ATOM 1460 CB VAL A 93 -12.522 -12.914 -12.742 1.00 54.21 C ATOM 1461 CG1 VAL A 93 -12.509 -12.783 -14.258 1.00 32.45 C ATOM 1462 CG2 VAL A 93 -13.456 -11.887 -12.118 1.00 71.45 C ATOM 0 H VAL A 93 -12.509 -13.873 -10.326 1.00 43.11 H new ATOM 0 HA VAL A 93 -13.877 -14.593 -12.806 1.00 45.25 H new ATOM 0 HB VAL A 93 -11.513 -12.724 -12.377 1.00 54.21 H new ATOM 0 HG11 VAL A 93 -12.216 -11.770 -14.533 1.00 32.45 H new ATOM 0 HG12 VAL A 93 -11.797 -13.493 -14.678 1.00 32.45 H new ATOM 0 HG13 VAL A 93 -13.504 -12.992 -14.650 1.00 32.45 H new ATOM 0 HG21 VAL A 93 -13.152 -10.886 -12.423 1.00 71.45 H new ATOM 0 HG22 VAL A 93 -14.477 -12.073 -12.452 1.00 71.45 H new ATOM 0 HG23 VAL A 93 -13.410 -11.965 -11.032 1.00 71.45 H new ATOM 1472 N LEU A 94 -11.961 -15.770 -14.023 1.00 45.24 N ATOM 1473 CA LEU A 94 -10.995 -16.711 -14.580 1.00 20.33 C ATOM 1474 C LEU A 94 -11.234 -16.919 -16.072 1.00 12.13 C ATOM 1475 O LEU A 94 -12.254 -16.490 -16.613 1.00 64.42 O ATOM 1476 CB LEU A 94 -11.079 -18.051 -13.847 1.00 32.32 C ATOM 1477 CG LEU A 94 -12.289 -18.924 -14.181 1.00 34.22 C ATOM 1478 CD1 LEU A 94 -13.557 -18.086 -14.221 1.00 54.54 C ATOM 1479 CD2 LEU A 94 -12.080 -19.642 -15.506 1.00 42.11 C ATOM 0 H LEU A 94 -12.705 -15.500 -14.666 1.00 45.24 H new ATOM 0 HA LEU A 94 -9.998 -16.292 -14.446 1.00 20.33 H new ATOM 0 HB2 LEU A 94 -10.175 -18.619 -14.066 1.00 32.32 H new ATOM 0 HB3 LEU A 94 -11.082 -17.856 -12.775 1.00 32.32 H new ATOM 0 HG LEU A 94 -12.398 -19.674 -13.398 1.00 34.22 H new ATOM 0 HD11 LEU A 94 -14.408 -18.724 -14.460 1.00 54.54 H new ATOM 0 HD12 LEU A 94 -13.716 -17.619 -13.249 1.00 54.54 H new ATOM 0 HD13 LEU A 94 -13.458 -17.313 -14.983 1.00 54.54 H new ATOM 0 HD21 LEU A 94 -12.951 -20.258 -15.727 1.00 42.11 H new ATOM 0 HD22 LEU A 94 -11.944 -18.908 -16.300 1.00 42.11 H new ATOM 0 HD23 LEU A 94 -11.195 -20.275 -15.441 1.00 42.11 H new ATOM 1491 N PHE A 95 -10.289 -17.581 -16.731 1.00 10.22 N ATOM 1492 CA PHE A 95 -10.397 -17.847 -18.161 1.00 14.25 C ATOM 1493 C PHE A 95 -9.212 -18.673 -18.651 1.00 40.35 C ATOM 1494 O PHE A 95 -8.135 -18.138 -18.912 1.00 20.33 O ATOM 1495 CB PHE A 95 -10.476 -16.533 -18.941 1.00 10.13 C ATOM 1496 CG PHE A 95 -11.786 -16.333 -19.648 1.00 31.03 C ATOM 1497 CD1 PHE A 95 -12.291 -17.311 -20.489 1.00 64.23 C ATOM 1498 CD2 PHE A 95 -12.513 -15.167 -19.471 1.00 2.41 C ATOM 1499 CE1 PHE A 95 -13.496 -17.131 -21.141 1.00 51.41 C ATOM 1500 CE2 PHE A 95 -13.719 -14.981 -20.120 1.00 1.43 C ATOM 1501 CZ PHE A 95 -14.211 -15.963 -20.957 1.00 25.23 C ATOM 0 H PHE A 95 -9.440 -17.943 -16.298 1.00 10.22 H new ATOM 0 HA PHE A 95 -11.310 -18.418 -18.332 1.00 14.25 H new ATOM 0 HB2 PHE A 95 -10.312 -15.702 -18.255 1.00 10.13 H new ATOM 0 HB3 PHE A 95 -9.669 -16.505 -19.673 1.00 10.13 H new ATOM 0 HD1 PHE A 95 -11.736 -18.226 -20.637 1.00 64.23 H new ATOM 0 HD2 PHE A 95 -12.133 -14.395 -18.819 1.00 2.41 H new ATOM 0 HE1 PHE A 95 -13.878 -17.902 -21.793 1.00 51.41 H new ATOM 0 HE2 PHE A 95 -14.276 -14.068 -19.973 1.00 1.43 H new ATOM 0 HZ PHE A 95 -15.152 -15.818 -21.466 1.00 25.23 H new ATOM 1511 N ASN A 96 -9.420 -19.980 -18.775 1.00 3.33 N ATOM 1512 CA ASN A 96 -8.368 -20.881 -19.233 1.00 55.20 C ATOM 1513 C ASN A 96 -8.882 -22.315 -19.322 1.00 3.22 C ATOM 1514 O ASN A 96 -8.221 -23.251 -18.874 1.00 44.30 O ATOM 1515 CB ASN A 96 -7.165 -20.815 -18.290 1.00 71.34 C ATOM 1516 CG ASN A 96 -7.576 -20.764 -16.831 1.00 45.45 C ATOM 1517 OD1 ASN A 96 -8.016 -21.763 -16.263 1.00 51.12 O ATOM 1518 ND2 ASN A 96 -7.433 -19.595 -16.218 1.00 4.51 N ATOM 0 H ASN A 96 -10.307 -20.439 -18.565 1.00 3.33 H new ATOM 0 HA ASN A 96 -8.058 -20.563 -20.228 1.00 55.20 H new ATOM 0 HB2 ASN A 96 -6.529 -21.685 -18.455 1.00 71.34 H new ATOM 0 HB3 ASN A 96 -6.568 -19.934 -18.528 1.00 71.34 H new ATOM 0 HD21 ASN A 96 -7.692 -19.499 -15.236 1.00 4.51 H new ATOM 0 HD22 ASN A 96 -7.064 -18.793 -16.729 1.00 4.51 H new ATOM 1525 N GLY A 97 -10.066 -22.479 -19.904 1.00 42.01 N ATOM 1526 CA GLY A 97 -10.648 -23.801 -20.042 1.00 23.31 C ATOM 1527 C GLY A 97 -11.552 -23.914 -21.253 1.00 44.44 C ATOM 1528 O GLY A 97 -11.206 -24.537 -22.257 1.00 63.21 O ATOM 0 H GLY A 97 -10.632 -21.720 -20.282 1.00 42.01 H new ATOM 0 HA2 GLY A 97 -9.850 -24.540 -20.118 1.00 23.31 H new ATOM 0 HA3 GLY A 97 -11.218 -24.039 -19.144 1.00 23.31 H new ATOM 1532 N PRO A 98 -12.741 -23.300 -21.168 1.00 34.12 N ATOM 1533 CA PRO A 98 -13.723 -23.321 -22.257 1.00 2.35 C ATOM 1534 C PRO A 98 -13.274 -22.496 -23.458 1.00 3.54 C ATOM 1535 O PRO A 98 -13.665 -22.769 -24.593 1.00 70.01 O ATOM 1536 CB PRO A 98 -14.971 -22.704 -21.621 1.00 10.14 C ATOM 1537 CG PRO A 98 -14.451 -21.847 -20.519 1.00 4.41 C ATOM 1538 CD PRO A 98 -13.220 -22.539 -20.002 1.00 2.42 C ATOM 0 HA PRO A 98 -13.879 -24.327 -22.646 1.00 2.35 H new ATOM 0 HB2 PRO A 98 -15.536 -22.117 -22.346 1.00 10.14 H new ATOM 0 HB3 PRO A 98 -15.643 -23.473 -21.241 1.00 10.14 H new ATOM 0 HG2 PRO A 98 -14.213 -20.847 -20.881 1.00 4.41 H new ATOM 0 HG3 PRO A 98 -15.194 -21.732 -19.730 1.00 4.41 H new ATOM 0 HD2 PRO A 98 -12.474 -21.825 -19.654 1.00 2.42 H new ATOM 0 HD3 PRO A 98 -13.450 -23.194 -19.162 1.00 2.42 H new ATOM 1546 N LEU A 99 -12.450 -21.485 -23.201 1.00 31.43 N ATOM 1547 CA LEU A 99 -11.947 -20.620 -24.262 1.00 3.24 C ATOM 1548 C LEU A 99 -10.661 -21.182 -24.859 1.00 61.21 C ATOM 1549 O LEU A 99 -9.706 -21.471 -24.139 1.00 62.31 O ATOM 1550 CB LEU A 99 -11.698 -19.210 -23.722 1.00 21.31 C ATOM 1551 CG LEU A 99 -11.683 -18.087 -24.759 1.00 71.25 C ATOM 1552 CD1 LEU A 99 -13.091 -17.805 -25.261 1.00 62.32 C ATOM 1553 CD2 LEU A 99 -11.062 -16.828 -24.173 1.00 44.14 C ATOM 0 H LEU A 99 -12.117 -21.245 -22.267 1.00 31.43 H new ATOM 0 HA LEU A 99 -12.701 -20.574 -25.048 1.00 3.24 H new ATOM 0 HB2 LEU A 99 -12.467 -18.985 -22.983 1.00 21.31 H new ATOM 0 HB3 LEU A 99 -10.742 -19.207 -23.198 1.00 21.31 H new ATOM 0 HG LEU A 99 -11.075 -18.408 -25.605 1.00 71.25 H new ATOM 0 HD11 LEU A 99 -13.061 -17.003 -25.998 1.00 62.32 H new ATOM 0 HD12 LEU A 99 -13.501 -18.705 -25.720 1.00 62.32 H new ATOM 0 HD13 LEU A 99 -13.722 -17.505 -24.425 1.00 62.32 H new ATOM 0 HD21 LEU A 99 -11.060 -16.039 -24.925 1.00 44.14 H new ATOM 0 HD22 LEU A 99 -11.643 -16.504 -23.309 1.00 44.14 H new ATOM 0 HD23 LEU A 99 -10.038 -17.037 -23.864 1.00 44.14 H new ATOM 1565 N GLU A 100 -10.644 -21.332 -26.180 1.00 32.31 N ATOM 1566 CA GLU A 100 -9.474 -21.859 -26.873 1.00 55.34 C ATOM 1567 C GLU A 100 -8.284 -20.915 -26.726 1.00 32.21 C ATOM 1568 O GLU A 100 -7.174 -21.343 -26.410 1.00 23.42 O ATOM 1569 CB GLU A 100 -9.787 -22.075 -28.356 1.00 32.05 C ATOM 1570 CG GLU A 100 -9.726 -23.531 -28.784 1.00 62.43 C ATOM 1571 CD GLU A 100 -8.459 -24.223 -28.320 1.00 21.31 C ATOM 1572 OE1 GLU A 100 -7.389 -23.580 -28.346 1.00 3.13 O ATOM 1573 OE2 GLU A 100 -8.537 -25.407 -27.931 1.00 72.32 O ATOM 0 H GLU A 100 -11.426 -21.096 -26.791 1.00 32.31 H new ATOM 0 HA GLU A 100 -9.215 -22.816 -26.420 1.00 55.34 H new ATOM 0 HB2 GLU A 100 -10.782 -21.683 -28.570 1.00 32.05 H new ATOM 0 HB3 GLU A 100 -9.082 -21.499 -28.955 1.00 32.05 H new ATOM 0 HG2 GLU A 100 -10.591 -24.060 -28.385 1.00 62.43 H new ATOM 0 HG3 GLU A 100 -9.790 -23.589 -29.871 1.00 62.43 H new ATOM 1580 N HIS A 101 -8.524 -19.629 -26.958 1.00 12.51 N ATOM 1581 CA HIS A 101 -7.473 -18.623 -26.851 1.00 64.31 C ATOM 1582 C HIS A 101 -7.998 -17.244 -27.237 1.00 14.02 C ATOM 1583 O HIS A 101 -7.734 -16.255 -26.552 1.00 41.14 O ATOM 1584 CB HIS A 101 -6.288 -18.998 -27.742 1.00 3.31 C ATOM 1585 CG HIS A 101 -6.155 -18.132 -28.957 1.00 23.02 C ATOM 1586 ND1 HIS A 101 -5.419 -16.966 -28.973 1.00 53.31 N ATOM 1587 CD2 HIS A 101 -6.667 -18.269 -30.202 1.00 71.31 C ATOM 1588 CE1 HIS A 101 -5.487 -16.422 -30.175 1.00 65.12 C ATOM 1589 NE2 HIS A 101 -6.237 -17.194 -30.940 1.00 55.11 N ATOM 0 H HIS A 101 -9.437 -19.258 -27.221 1.00 12.51 H new ATOM 0 HA HIS A 101 -7.142 -18.588 -25.813 1.00 64.31 H new ATOM 0 HB2 HIS A 101 -5.370 -18.934 -27.158 1.00 3.31 H new ATOM 0 HB3 HIS A 101 -6.394 -20.036 -28.056 1.00 3.31 H new ATOM 0 HD2 HIS A 101 -7.297 -19.074 -30.550 1.00 71.31 H new ATOM 0 HE1 HIS A 101 -5.010 -15.502 -30.480 1.00 65.12 H new ATOM 0 HE2 HIS A 101 -6.461 -17.020 -31.920 1.00 55.11 H new TER 1597 HIS A 101