USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 757 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 3 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -127:sc= 0.585 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 24 SER OG : rot 180:sc= -0.427 USER MOD Single : A 26 GLN : amide:sc= -0.0954 K(o=-0.095,f=-1.5) USER MOD Single : A 29 THR OG1 : rot -14:sc= 0.844! USER MOD Single : A 30 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.6!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0015 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 150:sc= -1.71 USER MOD Single : A 36 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.1!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.93 K(o=-1.9,f=-4.3!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 63 THR OG1 : rot 61:sc= 0.0154 USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.4 USER MOD Single : A 71 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 77 HIS : no HE2:sc= -2.38 K(o=-2.4,f=-4) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 42:sc= 0.0501 USER MOD Single : A 89 SER OG : rot -23:sc= 1.26 USER MOD Single : A 95 MET CE :methyl 165:sc=-0.00816 (180deg=-0.244) USER MOD Single : A 96 SER OG : rot 32:sc= 0.133 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.984 -1.174 0.417 1.00 44.14 N ATOM 2 CA PRO A 1 2.703 -1.070 -0.857 1.00 11.11 C ATOM 3 C PRO A 1 2.605 -2.347 -1.684 1.00 31.42 C ATOM 4 O PRO A 1 2.579 -3.452 -1.139 1.00 15.45 O ATOM 5 CB PRO A 1 4.151 -0.820 -0.428 1.00 31.41 C ATOM 6 CG PRO A 1 4.249 -1.412 0.936 1.00 41.30 C ATOM 7 CD PRO A 1 2.899 -1.218 1.570 1.00 43.34 C ATOM 0 H2 PRO A 1 1.406 -2.014 0.412 1.00 44.14 H new ATOM 0 H3 PRO A 1 1.353 -0.378 0.516 1.00 44.14 H new ATOM 0 HA PRO A 1 2.292 -0.287 -1.494 1.00 11.11 H new ATOM 0 HB2 PRO A 1 4.854 -1.290 -1.115 1.00 31.41 H new ATOM 0 HB3 PRO A 1 4.382 0.245 -0.415 1.00 31.41 H new ATOM 0 HG2 PRO A 1 4.508 -2.470 0.885 1.00 41.30 H new ATOM 0 HG3 PRO A 1 5.028 -0.921 1.519 1.00 41.30 H new ATOM 0 HD2 PRO A 1 2.652 -2.035 2.248 1.00 43.34 H new ATOM 0 HD3 PRO A 1 2.857 -0.297 2.152 1.00 43.34 H new ATOM 15 N LEU A 2 2.552 -2.191 -3.002 1.00 14.32 N ATOM 16 CA LEU A 2 2.457 -3.333 -3.905 1.00 1.52 C ATOM 17 C LEU A 2 3.330 -3.125 -5.138 1.00 64.21 C ATOM 18 O LEU A 2 3.583 -1.993 -5.551 1.00 12.30 O ATOM 19 CB LEU A 2 1.004 -3.555 -4.327 1.00 33.44 C ATOM 20 CG LEU A 2 0.361 -2.431 -5.139 1.00 15.43 C ATOM 21 CD1 LEU A 2 -0.498 -3.003 -6.256 1.00 10.40 C ATOM 22 CD2 LEU A 2 -0.468 -1.528 -4.236 1.00 44.42 C ATOM 0 H LEU A 2 2.573 -1.285 -3.470 1.00 14.32 H new ATOM 0 HA LEU A 2 2.813 -4.216 -3.374 1.00 1.52 H new ATOM 0 HB2 LEU A 2 0.953 -4.473 -4.912 1.00 33.44 H new ATOM 0 HB3 LEU A 2 0.407 -3.715 -3.429 1.00 33.44 H new ATOM 0 HG LEU A 2 1.154 -1.834 -5.588 1.00 15.43 H new ATOM 0 HD11 LEU A 2 -0.947 -2.188 -6.823 1.00 10.40 H new ATOM 0 HD12 LEU A 2 0.122 -3.607 -6.918 1.00 10.40 H new ATOM 0 HD13 LEU A 2 -1.285 -3.624 -5.828 1.00 10.40 H new ATOM 0 HD21 LEU A 2 -0.918 -0.733 -4.831 1.00 44.42 H new ATOM 0 HD22 LEU A 2 -1.254 -2.113 -3.758 1.00 44.42 H new ATOM 0 HD23 LEU A 2 0.174 -1.090 -3.472 1.00 44.42 H new ATOM 34 N THR A 3 3.788 -4.227 -5.725 1.00 3.21 N ATOM 35 CA THR A 3 4.632 -4.166 -6.912 1.00 22.45 C ATOM 36 C THR A 3 4.117 -5.100 -8.001 1.00 12.02 C ATOM 37 O THR A 3 3.261 -5.948 -7.750 1.00 73.53 O ATOM 38 CB THR A 3 6.091 -4.536 -6.583 1.00 1.42 C ATOM 39 OG1 THR A 3 6.945 -4.181 -7.676 1.00 54.44 O ATOM 40 CG2 THR A 3 6.221 -6.024 -6.294 1.00 12.50 C ATOM 0 H THR A 3 3.588 -5.172 -5.397 1.00 3.21 H new ATOM 0 HA THR A 3 4.597 -3.138 -7.272 1.00 22.45 H new ATOM 0 HB THR A 3 6.391 -3.982 -5.693 1.00 1.42 H new ATOM 0 HG1 THR A 3 7.871 -4.418 -7.458 1.00 54.44 H new ATOM 0 HG21 THR A 3 7.260 -6.261 -6.065 1.00 12.50 H new ATOM 0 HG22 THR A 3 5.593 -6.286 -5.443 1.00 12.50 H new ATOM 0 HG23 THR A 3 5.904 -6.593 -7.168 1.00 12.50 H new ATOM 48 N ARG A 4 4.644 -4.938 -9.210 1.00 73.52 N ATOM 49 CA ARG A 4 4.236 -5.767 -10.338 1.00 71.31 C ATOM 50 C ARG A 4 4.878 -7.149 -10.258 1.00 20.13 C ATOM 51 O ARG A 4 5.876 -7.358 -9.567 1.00 53.21 O ATOM 52 CB ARG A 4 4.616 -5.093 -11.658 1.00 14.34 C ATOM 53 CG ARG A 4 3.518 -4.210 -12.229 1.00 33.34 C ATOM 54 CD ARG A 4 3.644 -2.776 -11.738 1.00 72.41 C ATOM 55 NE ARG A 4 4.911 -2.171 -12.138 1.00 3.24 N ATOM 56 CZ ARG A 4 5.178 -1.774 -13.377 1.00 20.30 C ATOM 57 NH1 ARG A 4 4.270 -1.918 -14.332 1.00 62.55 N ATOM 58 NH2 ARG A 4 6.355 -1.232 -13.663 1.00 12.24 N ATOM 0 H ARG A 4 5.354 -4.241 -9.434 1.00 73.52 H new ATOM 0 HA ARG A 4 3.153 -5.885 -10.296 1.00 71.31 H new ATOM 0 HB2 ARG A 4 5.512 -4.491 -11.504 1.00 14.34 H new ATOM 0 HB3 ARG A 4 4.870 -5.861 -12.389 1.00 14.34 H new ATOM 0 HG2 ARG A 4 3.564 -4.228 -13.318 1.00 33.34 H new ATOM 0 HG3 ARG A 4 2.544 -4.609 -11.945 1.00 33.34 H new ATOM 0 HD2 ARG A 4 2.819 -2.184 -12.133 1.00 72.41 H new ATOM 0 HD3 ARG A 4 3.560 -2.756 -10.651 1.00 72.41 H new ATOM 0 HE ARG A 4 5.631 -2.046 -11.426 1.00 3.24 H new ATOM 0 HH11 ARG A 4 3.364 -2.334 -14.116 1.00 62.55 H new ATOM 0 HH12 ARG A 4 4.477 -1.612 -15.283 1.00 62.55 H new ATOM 0 HH21 ARG A 4 7.056 -1.120 -12.931 1.00 12.24 H new ATOM 0 HH22 ARG A 4 6.558 -0.928 -14.615 1.00 12.24 H new ATOM 72 N PRO A 5 4.293 -8.117 -10.980 1.00 3.43 N ATOM 73 CA PRO A 5 4.791 -9.495 -11.007 1.00 4.04 C ATOM 74 C PRO A 5 6.122 -9.616 -11.741 1.00 24.22 C ATOM 75 O PRO A 5 6.172 -10.064 -12.887 1.00 12.13 O ATOM 76 CB PRO A 5 3.695 -10.254 -11.758 1.00 50.35 C ATOM 77 CG PRO A 5 3.034 -9.222 -12.607 1.00 21.54 C ATOM 78 CD PRO A 5 3.101 -7.939 -11.826 1.00 23.12 C ATOM 0 HA PRO A 5 4.983 -9.878 -10.005 1.00 4.04 H new ATOM 0 HB2 PRO A 5 4.114 -11.057 -12.365 1.00 50.35 H new ATOM 0 HB3 PRO A 5 2.987 -10.712 -11.068 1.00 50.35 H new ATOM 0 HG2 PRO A 5 3.542 -9.122 -13.566 1.00 21.54 H new ATOM 0 HG3 PRO A 5 2.001 -9.496 -12.820 1.00 21.54 H new ATOM 0 HD2 PRO A 5 3.199 -7.074 -12.482 1.00 23.12 H new ATOM 0 HD3 PRO A 5 2.203 -7.785 -11.228 1.00 23.12 H new ATOM 86 N TYR A 6 7.199 -9.215 -11.074 1.00 60.20 N ATOM 87 CA TYR A 6 8.531 -9.277 -11.664 1.00 72.34 C ATOM 88 C TYR A 6 9.478 -10.090 -10.787 1.00 42.13 C ATOM 89 O TYR A 6 9.418 -10.023 -9.559 1.00 14.22 O ATOM 90 CB TYR A 6 9.088 -7.867 -11.866 1.00 62.24 C ATOM 91 CG TYR A 6 9.899 -7.713 -13.133 1.00 4.50 C ATOM 92 CD1 TYR A 6 11.226 -7.301 -13.086 1.00 12.04 C ATOM 93 CD2 TYR A 6 9.340 -7.977 -14.377 1.00 13.32 C ATOM 94 CE1 TYR A 6 11.971 -7.158 -14.240 1.00 51.51 C ATOM 95 CE2 TYR A 6 10.078 -7.837 -15.536 1.00 74.43 C ATOM 96 CZ TYR A 6 11.392 -7.427 -15.463 1.00 25.42 C ATOM 97 OH TYR A 6 12.130 -7.286 -16.616 1.00 24.03 O ATOM 0 H TYR A 6 7.175 -8.844 -10.124 1.00 60.20 H new ATOM 0 HA TYR A 6 8.449 -9.770 -12.633 1.00 72.34 H new ATOM 0 HB2 TYR A 6 8.261 -7.158 -11.886 1.00 62.24 H new ATOM 0 HB3 TYR A 6 9.712 -7.606 -11.011 1.00 62.24 H new ATOM 0 HD1 TYR A 6 11.682 -7.089 -12.130 1.00 12.04 H new ATOM 0 HD2 TYR A 6 8.310 -8.297 -14.439 1.00 13.32 H new ATOM 0 HE1 TYR A 6 13.001 -6.837 -14.185 1.00 51.51 H new ATOM 0 HE2 TYR A 6 9.628 -8.048 -16.495 1.00 74.43 H new ATOM 0 HH TYR A 6 11.575 -7.516 -17.390 1.00 24.03 H new ATOM 107 N LEU A 7 10.354 -10.857 -11.427 1.00 32.32 N ATOM 108 CA LEU A 7 11.316 -11.684 -10.707 1.00 4.24 C ATOM 109 C LEU A 7 12.743 -11.210 -10.966 1.00 52.02 C ATOM 110 O LEU A 7 13.187 -11.142 -12.112 1.00 35.44 O ATOM 111 CB LEU A 7 11.170 -13.149 -11.120 1.00 63.22 C ATOM 112 CG LEU A 7 11.346 -13.447 -12.610 1.00 3.03 C ATOM 113 CD1 LEU A 7 12.424 -14.499 -12.820 1.00 20.20 C ATOM 114 CD2 LEU A 7 10.029 -13.900 -13.222 1.00 61.22 C ATOM 0 H LEU A 7 10.418 -10.923 -12.443 1.00 32.32 H new ATOM 0 HA LEU A 7 11.110 -11.592 -9.641 1.00 4.24 H new ATOM 0 HB2 LEU A 7 11.900 -13.737 -10.564 1.00 63.22 H new ATOM 0 HB3 LEU A 7 10.182 -13.495 -10.815 1.00 63.22 H new ATOM 0 HG LEU A 7 11.660 -12.531 -13.110 1.00 3.03 H new ATOM 0 HD11 LEU A 7 12.535 -14.698 -13.886 1.00 20.20 H new ATOM 0 HD12 LEU A 7 13.370 -14.136 -12.418 1.00 20.20 H new ATOM 0 HD13 LEU A 7 12.141 -15.418 -12.307 1.00 20.20 H new ATOM 0 HD21 LEU A 7 10.173 -14.108 -14.282 1.00 61.22 H new ATOM 0 HD22 LEU A 7 9.686 -14.804 -12.719 1.00 61.22 H new ATOM 0 HD23 LEU A 7 9.283 -13.114 -13.104 1.00 61.22 H new ATOM 126 N GLY A 8 13.458 -10.885 -9.893 1.00 54.42 N ATOM 127 CA GLY A 8 14.827 -10.423 -10.026 1.00 61.42 C ATOM 128 C GLY A 8 15.798 -11.242 -9.198 1.00 75.00 C ATOM 129 O GLY A 8 16.880 -10.770 -8.850 1.00 12.33 O ATOM 0 H GLY A 8 13.113 -10.934 -8.934 1.00 54.42 H new ATOM 0 HA2 GLY A 8 15.122 -10.466 -11.074 1.00 61.42 H new ATOM 0 HA3 GLY A 8 14.886 -9.378 -9.721 1.00 61.42 H new ATOM 133 N PHE A 9 15.410 -12.473 -8.880 1.00 52.31 N ATOM 134 CA PHE A 9 16.252 -13.358 -8.085 1.00 24.31 C ATOM 135 C PHE A 9 15.976 -14.820 -8.423 1.00 65.44 C ATOM 136 O PHE A 9 15.042 -15.132 -9.162 1.00 10.12 O ATOM 137 CB PHE A 9 16.018 -13.116 -6.592 1.00 42.44 C ATOM 138 CG PHE A 9 14.595 -13.333 -6.166 1.00 34.31 C ATOM 139 CD1 PHE A 9 13.633 -12.362 -6.393 1.00 60.15 C ATOM 140 CD2 PHE A 9 14.218 -14.509 -5.537 1.00 22.13 C ATOM 141 CE1 PHE A 9 12.322 -12.559 -6.003 1.00 30.44 C ATOM 142 CE2 PHE A 9 12.909 -14.712 -5.144 1.00 33.10 C ATOM 143 CZ PHE A 9 11.960 -13.736 -5.376 1.00 53.30 C ATOM 0 H PHE A 9 14.518 -12.880 -9.161 1.00 52.31 H new ATOM 0 HA PHE A 9 17.293 -13.138 -8.323 1.00 24.31 H new ATOM 0 HB2 PHE A 9 16.666 -13.779 -6.019 1.00 42.44 H new ATOM 0 HB3 PHE A 9 16.311 -12.095 -6.347 1.00 42.44 H new ATOM 0 HD1 PHE A 9 13.911 -11.440 -6.881 1.00 60.15 H new ATOM 0 HD2 PHE A 9 14.956 -15.276 -5.352 1.00 22.13 H new ATOM 0 HE1 PHE A 9 11.582 -11.795 -6.188 1.00 30.44 H new ATOM 0 HE2 PHE A 9 12.628 -15.633 -4.656 1.00 33.10 H new ATOM 0 HZ PHE A 9 10.937 -13.892 -5.068 1.00 53.30 H new ATOM 153 N ARG A 10 16.797 -15.713 -7.878 1.00 51.44 N ATOM 154 CA ARG A 10 16.643 -17.142 -8.123 1.00 42.44 C ATOM 155 C ARG A 10 16.257 -17.874 -6.842 1.00 73.41 C ATOM 156 O ARG A 10 16.690 -17.507 -5.750 1.00 34.33 O ATOM 157 CB ARG A 10 17.940 -17.726 -8.687 1.00 34.41 C ATOM 158 CG ARG A 10 17.905 -17.947 -10.190 1.00 62.53 C ATOM 159 CD ARG A 10 17.866 -19.428 -10.535 1.00 31.12 C ATOM 160 NE ARG A 10 17.863 -19.654 -11.978 1.00 30.44 N ATOM 161 CZ ARG A 10 17.729 -20.854 -12.533 1.00 44.41 C ATOM 162 NH1 ARG A 10 17.588 -21.929 -11.771 1.00 22.14 N ATOM 163 NH2 ARG A 10 17.736 -20.979 -13.854 1.00 44.31 N ATOM 0 H ARG A 10 17.575 -15.472 -7.264 1.00 51.44 H new ATOM 0 HA ARG A 10 15.844 -17.277 -8.852 1.00 42.44 H new ATOM 0 HB2 ARG A 10 18.765 -17.056 -8.446 1.00 34.41 H new ATOM 0 HB3 ARG A 10 18.146 -18.676 -8.193 1.00 34.41 H new ATOM 0 HG2 ARG A 10 17.031 -17.451 -10.611 1.00 62.53 H new ATOM 0 HG3 ARG A 10 18.782 -17.489 -10.647 1.00 62.53 H new ATOM 0 HD2 ARG A 10 18.728 -19.926 -10.092 1.00 31.12 H new ATOM 0 HD3 ARG A 10 16.976 -19.879 -10.096 1.00 31.12 H new ATOM 0 HE ARG A 10 17.970 -18.847 -12.593 1.00 30.44 H new ATOM 0 HH11 ARG A 10 17.582 -21.837 -10.755 1.00 22.14 H new ATOM 0 HH12 ARG A 10 17.485 -22.849 -12.200 1.00 22.14 H new ATOM 0 HH21 ARG A 10 17.844 -20.154 -14.444 1.00 44.31 H new ATOM 0 HH22 ARG A 10 17.633 -21.900 -14.280 1.00 44.31 H new ATOM 177 N VAL A 11 15.438 -18.912 -6.984 1.00 25.41 N ATOM 178 CA VAL A 11 14.994 -19.697 -5.838 1.00 72.45 C ATOM 179 C VAL A 11 15.078 -21.191 -6.130 1.00 72.42 C ATOM 180 O VAL A 11 14.684 -21.648 -7.203 1.00 52.20 O ATOM 181 CB VAL A 11 13.548 -19.343 -5.443 1.00 20.34 C ATOM 182 CG1 VAL A 11 12.575 -19.782 -6.526 1.00 72.21 C ATOM 183 CG2 VAL A 11 13.192 -19.976 -4.106 1.00 73.41 C ATOM 0 H VAL A 11 15.069 -19.228 -7.881 1.00 25.41 H new ATOM 0 HA VAL A 11 15.660 -19.454 -5.010 1.00 72.45 H new ATOM 0 HB VAL A 11 13.473 -18.261 -5.339 1.00 20.34 H new ATOM 0 HG11 VAL A 11 11.559 -19.523 -6.229 1.00 72.21 H new ATOM 0 HG12 VAL A 11 12.819 -19.277 -7.461 1.00 72.21 H new ATOM 0 HG13 VAL A 11 12.649 -20.860 -6.666 1.00 72.21 H new ATOM 0 HG21 VAL A 11 12.167 -19.716 -3.842 1.00 73.41 H new ATOM 0 HG22 VAL A 11 13.284 -21.060 -4.181 1.00 73.41 H new ATOM 0 HG23 VAL A 11 13.870 -19.607 -3.337 1.00 73.41 H new ATOM 193 N ALA A 12 15.594 -21.949 -5.168 1.00 14.45 N ATOM 194 CA ALA A 12 15.727 -23.392 -5.320 1.00 20.12 C ATOM 195 C ALA A 12 15.009 -24.131 -4.196 1.00 20.41 C ATOM 196 O ALA A 12 15.309 -23.934 -3.018 1.00 51.24 O ATOM 197 CB ALA A 12 17.196 -23.785 -5.358 1.00 64.14 C ATOM 0 H ALA A 12 15.927 -21.587 -4.274 1.00 14.45 H new ATOM 0 HA ALA A 12 15.261 -23.678 -6.263 1.00 20.12 H new ATOM 0 HB1 ALA A 12 17.281 -24.866 -5.472 1.00 64.14 H new ATOM 0 HB2 ALA A 12 17.683 -23.292 -6.200 1.00 64.14 H new ATOM 0 HB3 ALA A 12 17.679 -23.479 -4.430 1.00 64.14 H new ATOM 203 N VAL A 13 14.059 -24.984 -4.567 1.00 14.51 N ATOM 204 CA VAL A 13 13.298 -25.753 -3.590 1.00 13.03 C ATOM 205 C VAL A 13 14.034 -27.031 -3.202 1.00 50.54 C ATOM 206 O VAL A 13 14.468 -27.795 -4.063 1.00 43.53 O ATOM 207 CB VAL A 13 11.902 -26.121 -4.128 1.00 44.23 C ATOM 208 CG1 VAL A 13 12.021 -26.917 -5.419 1.00 31.12 C ATOM 209 CG2 VAL A 13 11.116 -26.898 -3.083 1.00 41.51 C ATOM 0 H VAL A 13 13.798 -25.160 -5.537 1.00 14.51 H new ATOM 0 HA VAL A 13 13.185 -25.121 -2.709 1.00 13.03 H new ATOM 0 HB VAL A 13 11.361 -25.200 -4.345 1.00 44.23 H new ATOM 0 HG11 VAL A 13 11.025 -27.168 -5.785 1.00 31.12 H new ATOM 0 HG12 VAL A 13 12.543 -26.320 -6.167 1.00 31.12 H new ATOM 0 HG13 VAL A 13 12.580 -27.833 -5.231 1.00 31.12 H new ATOM 0 HG21 VAL A 13 10.133 -27.150 -3.480 1.00 41.51 H new ATOM 0 HG22 VAL A 13 11.651 -27.814 -2.832 1.00 41.51 H new ATOM 0 HG23 VAL A 13 11.000 -26.288 -2.187 1.00 41.51 H new ATOM 219 N GLY A 14 14.171 -27.257 -1.899 1.00 54.32 N ATOM 220 CA GLY A 14 14.855 -28.443 -1.420 1.00 34.40 C ATOM 221 C GLY A 14 14.486 -28.787 0.010 1.00 63.44 C ATOM 222 O GLY A 14 13.403 -28.438 0.480 1.00 65.22 O ATOM 0 H GLY A 14 13.820 -26.640 -1.167 1.00 54.32 H new ATOM 0 HA2 GLY A 14 14.612 -29.285 -2.068 1.00 34.40 H new ATOM 0 HA3 GLY A 14 15.932 -28.290 -1.487 1.00 34.40 H new ATOM 226 N ARG A 15 15.388 -29.475 0.702 1.00 22.32 N ATOM 227 CA ARG A 15 15.151 -29.869 2.086 1.00 60.23 C ATOM 228 C ARG A 15 16.363 -29.551 2.957 1.00 15.40 C ATOM 229 O ARG A 15 17.506 -29.671 2.516 1.00 33.32 O ATOM 230 CB ARG A 15 14.831 -31.363 2.165 1.00 31.13 C ATOM 231 CG ARG A 15 13.382 -31.693 1.847 1.00 33.23 C ATOM 232 CD ARG A 15 13.086 -31.530 0.365 1.00 55.33 C ATOM 233 NE ARG A 15 12.488 -32.732 -0.210 1.00 24.20 N ATOM 234 CZ ARG A 15 11.787 -32.737 -1.338 1.00 65.34 C ATOM 235 NH1 ARG A 15 11.597 -31.610 -2.010 1.00 3.03 N ATOM 236 NH2 ARG A 15 11.276 -33.872 -1.798 1.00 35.14 N ATOM 0 H ARG A 15 16.289 -29.771 0.327 1.00 22.32 H new ATOM 0 HA ARG A 15 14.298 -29.301 2.458 1.00 60.23 H new ATOM 0 HB2 ARG A 15 15.478 -31.902 1.472 1.00 31.13 H new ATOM 0 HB3 ARG A 15 15.066 -31.724 3.166 1.00 31.13 H new ATOM 0 HG2 ARG A 15 13.166 -32.717 2.152 1.00 33.23 H new ATOM 0 HG3 ARG A 15 12.725 -31.043 2.424 1.00 33.23 H new ATOM 0 HD2 ARG A 15 12.412 -30.686 0.221 1.00 55.33 H new ATOM 0 HD3 ARG A 15 14.009 -31.295 -0.165 1.00 55.33 H new ATOM 0 HE ARG A 15 12.616 -33.616 0.282 1.00 24.20 H new ATOM 0 HH11 ARG A 15 11.990 -30.736 -1.661 1.00 3.03 H new ATOM 0 HH12 ARG A 15 11.058 -31.617 -2.876 1.00 3.03 H new ATOM 0 HH21 ARG A 15 11.421 -34.742 -1.285 1.00 35.14 H new ATOM 0 HH22 ARG A 15 10.738 -33.875 -2.664 1.00 35.14 H new ATOM 250 N ASP A 16 16.104 -29.143 4.195 1.00 72.24 N ATOM 251 CA ASP A 16 17.173 -28.808 5.128 1.00 15.43 C ATOM 252 C ASP A 16 17.446 -29.967 6.081 1.00 63.44 C ATOM 253 O ASP A 16 16.848 -31.037 5.961 1.00 42.44 O ATOM 254 CB ASP A 16 16.808 -27.553 5.924 1.00 64.11 C ATOM 255 CG ASP A 16 15.361 -27.553 6.375 1.00 71.24 C ATOM 256 OD1 ASP A 16 15.115 -27.760 7.582 1.00 51.04 O ATOM 257 OD2 ASP A 16 14.474 -27.346 5.520 1.00 1.45 O ATOM 0 H ASP A 16 15.163 -29.036 4.575 1.00 72.24 H new ATOM 0 HA ASP A 16 18.078 -28.614 4.552 1.00 15.43 H new ATOM 0 HB2 ASP A 16 17.457 -27.478 6.796 1.00 64.11 H new ATOM 0 HB3 ASP A 16 16.994 -26.671 5.311 1.00 64.11 H new ATOM 262 N SER A 17 18.355 -29.749 7.026 1.00 53.41 N ATOM 263 CA SER A 17 18.712 -30.777 7.996 1.00 74.20 C ATOM 264 C SER A 17 17.579 -30.998 8.995 1.00 64.35 C ATOM 265 O SER A 17 17.439 -32.083 9.560 1.00 55.41 O ATOM 266 CB SER A 17 19.992 -30.387 8.737 1.00 13.23 C ATOM 267 OG SER A 17 20.709 -31.535 9.156 1.00 33.12 O ATOM 0 H SER A 17 18.858 -28.869 7.140 1.00 53.41 H new ATOM 0 HA SER A 17 18.884 -31.708 7.455 1.00 74.20 H new ATOM 0 HB2 SER A 17 20.621 -29.779 8.087 1.00 13.23 H new ATOM 0 HB3 SER A 17 19.742 -29.774 9.603 1.00 13.23 H new ATOM 0 HG SER A 17 21.524 -31.259 9.626 1.00 33.12 H new ATOM 273 N SER A 18 16.775 -29.962 9.206 1.00 13.22 N ATOM 274 CA SER A 18 15.657 -30.040 10.139 1.00 33.11 C ATOM 275 C SER A 18 14.480 -30.785 9.516 1.00 62.22 C ATOM 276 O SER A 18 13.977 -31.756 10.079 1.00 23.32 O ATOM 277 CB SER A 18 15.219 -28.637 10.563 1.00 43.41 C ATOM 278 OG SER A 18 13.809 -28.552 10.670 1.00 72.45 O ATOM 0 H SER A 18 16.876 -29.058 8.744 1.00 13.22 H new ATOM 0 HA SER A 18 15.989 -30.591 11.019 1.00 33.11 H new ATOM 0 HB2 SER A 18 15.675 -28.384 11.520 1.00 43.41 H new ATOM 0 HB3 SER A 18 15.576 -27.907 9.837 1.00 43.41 H new ATOM 0 HG SER A 18 13.556 -27.646 10.944 1.00 72.45 H new ATOM 284 N GLY A 19 14.046 -30.322 8.347 1.00 2.25 N ATOM 285 CA GLY A 19 12.932 -30.955 7.666 1.00 44.01 C ATOM 286 C GLY A 19 11.665 -30.126 7.732 1.00 42.31 C ATOM 287 O GLY A 19 10.596 -30.639 8.063 1.00 31.14 O ATOM 0 H GLY A 19 14.446 -29.520 7.860 1.00 2.25 H new ATOM 0 HA2 GLY A 19 13.197 -31.125 6.623 1.00 44.01 H new ATOM 0 HA3 GLY A 19 12.746 -31.933 8.111 1.00 44.01 H new ATOM 291 N CYS A 20 11.784 -28.841 7.418 1.00 43.44 N ATOM 292 CA CYS A 20 10.639 -27.937 7.445 1.00 21.52 C ATOM 293 C CYS A 20 10.290 -27.459 6.040 1.00 70.23 C ATOM 294 O CYS A 20 9.394 -26.635 5.857 1.00 54.32 O ATOM 295 CB CYS A 20 10.931 -26.738 8.348 1.00 41.35 C ATOM 296 SG CYS A 20 10.247 -26.884 10.015 1.00 54.14 S ATOM 0 H CYS A 20 12.662 -28.401 7.142 1.00 43.44 H new ATOM 0 HA CYS A 20 9.785 -28.484 7.845 1.00 21.52 H new ATOM 0 HB2 CYS A 20 12.011 -26.606 8.420 1.00 41.35 H new ATOM 0 HB3 CYS A 20 10.530 -25.839 7.880 1.00 41.35 H new ATOM 0 HG CYS A 20 9.538 -25.829 10.287 1.00 54.14 H new ATOM 302 N THR A 21 11.005 -27.981 5.048 1.00 42.22 N ATOM 303 CA THR A 21 10.773 -27.605 3.659 1.00 64.42 C ATOM 304 C THR A 21 10.892 -26.097 3.470 1.00 73.53 C ATOM 305 O THR A 21 9.925 -25.359 3.661 1.00 51.00 O ATOM 306 CB THR A 21 9.384 -28.064 3.177 1.00 22.41 C ATOM 307 OG1 THR A 21 9.052 -29.325 3.769 1.00 63.30 O ATOM 308 CG2 THR A 21 9.350 -28.185 1.661 1.00 33.31 C ATOM 0 H THR A 21 11.750 -28.665 5.181 1.00 42.22 H new ATOM 0 HA THR A 21 11.538 -28.104 3.065 1.00 64.42 H new ATOM 0 HB THR A 21 8.652 -27.316 3.482 1.00 22.41 H new ATOM 0 HG1 THR A 21 8.167 -29.609 3.459 1.00 63.30 H new ATOM 0 HG21 THR A 21 8.359 -28.510 1.344 1.00 33.31 H new ATOM 0 HG22 THR A 21 9.574 -27.217 1.214 1.00 33.31 H new ATOM 0 HG23 THR A 21 10.092 -28.915 1.338 1.00 33.31 H new ATOM 316 N THR A 22 12.083 -25.645 3.092 1.00 43.40 N ATOM 317 CA THR A 22 12.328 -24.224 2.877 1.00 21.03 C ATOM 318 C THR A 22 13.144 -23.992 1.610 1.00 15.15 C ATOM 319 O THR A 22 13.853 -24.885 1.144 1.00 12.51 O ATOM 320 CB THR A 22 13.068 -23.594 4.073 1.00 73.42 C ATOM 321 OG1 THR A 22 13.605 -22.321 3.701 1.00 42.54 O ATOM 322 CG2 THR A 22 14.189 -24.503 4.555 1.00 50.44 C ATOM 0 H THR A 22 12.893 -26.242 2.928 1.00 43.40 H new ATOM 0 HA THR A 22 11.353 -23.748 2.770 1.00 21.03 H new ATOM 0 HB THR A 22 12.354 -23.462 4.886 1.00 73.42 H new ATOM 0 HG1 THR A 22 14.072 -21.927 4.467 1.00 42.54 H new ATOM 0 HG21 THR A 22 14.697 -24.038 5.400 1.00 50.44 H new ATOM 0 HG22 THR A 22 13.772 -25.461 4.865 1.00 50.44 H new ATOM 0 HG23 THR A 22 14.902 -24.662 3.746 1.00 50.44 H new ATOM 330 N LEU A 23 13.039 -22.789 1.058 1.00 43.53 N ATOM 331 CA LEU A 23 13.769 -22.438 -0.156 1.00 74.43 C ATOM 332 C LEU A 23 14.926 -21.495 0.156 1.00 14.05 C ATOM 333 O LEU A 23 14.791 -20.579 0.968 1.00 70.20 O ATOM 334 CB LEU A 23 12.826 -21.789 -1.172 1.00 24.25 C ATOM 335 CG LEU A 23 12.067 -22.747 -2.091 1.00 2.33 C ATOM 336 CD1 LEU A 23 11.416 -23.858 -1.283 1.00 31.33 C ATOM 337 CD2 LEU A 23 11.024 -21.993 -2.902 1.00 14.43 C ATOM 0 H LEU A 23 12.456 -22.040 1.431 1.00 43.53 H new ATOM 0 HA LEU A 23 14.178 -23.354 -0.582 1.00 74.43 H new ATOM 0 HB2 LEU A 23 12.099 -21.186 -0.629 1.00 24.25 H new ATOM 0 HB3 LEU A 23 13.407 -21.106 -1.792 1.00 24.25 H new ATOM 0 HG LEU A 23 12.779 -23.198 -2.782 1.00 2.33 H new ATOM 0 HD11 LEU A 23 10.880 -24.530 -1.954 1.00 31.33 H new ATOM 0 HD12 LEU A 23 12.184 -24.416 -0.747 1.00 31.33 H new ATOM 0 HD13 LEU A 23 10.716 -23.426 -0.568 1.00 31.33 H new ATOM 0 HD21 LEU A 23 10.493 -22.690 -3.550 1.00 14.43 H new ATOM 0 HD22 LEU A 23 10.315 -21.514 -2.227 1.00 14.43 H new ATOM 0 HD23 LEU A 23 11.515 -21.234 -3.511 1.00 14.43 H new ATOM 349 N SER A 24 16.062 -21.724 -0.494 1.00 53.04 N ATOM 350 CA SER A 24 17.243 -20.895 -0.285 1.00 22.53 C ATOM 351 C SER A 24 17.395 -19.871 -1.405 1.00 74.44 C ATOM 352 O SER A 24 16.992 -20.117 -2.543 1.00 43.52 O ATOM 353 CB SER A 24 18.497 -21.769 -0.204 1.00 13.23 C ATOM 354 OG SER A 24 19.355 -21.334 0.837 1.00 34.41 O ATOM 0 H SER A 24 16.190 -22.477 -1.170 1.00 53.04 H new ATOM 0 HA SER A 24 17.119 -20.360 0.657 1.00 22.53 H new ATOM 0 HB2 SER A 24 18.210 -22.807 -0.034 1.00 13.23 H new ATOM 0 HB3 SER A 24 19.029 -21.737 -1.155 1.00 13.23 H new ATOM 0 HG SER A 24 20.148 -21.909 0.869 1.00 34.41 H new ATOM 360 N ILE A 25 17.977 -18.724 -1.075 1.00 1.10 N ATOM 361 CA ILE A 25 18.183 -17.663 -2.053 1.00 11.21 C ATOM 362 C ILE A 25 19.588 -17.723 -2.642 1.00 3.24 C ATOM 363 O ILE A 25 20.571 -17.860 -1.913 1.00 72.25 O ATOM 364 CB ILE A 25 17.958 -16.272 -1.430 1.00 61.24 C ATOM 365 CG1 ILE A 25 17.945 -15.198 -2.520 1.00 2.22 C ATOM 366 CG2 ILE A 25 19.035 -15.974 -0.398 1.00 14.05 C ATOM 367 CD1 ILE A 25 16.651 -15.146 -3.302 1.00 4.22 C ATOM 0 H ILE A 25 18.315 -18.505 -0.138 1.00 1.10 H new ATOM 0 HA ILE A 25 17.452 -17.819 -2.847 1.00 11.21 H new ATOM 0 HB ILE A 25 16.990 -16.266 -0.928 1.00 61.24 H new ATOM 0 HG12 ILE A 25 18.123 -14.225 -2.062 1.00 2.22 H new ATOM 0 HG13 ILE A 25 18.769 -15.381 -3.209 1.00 2.22 H new ATOM 0 HG21 ILE A 25 18.863 -14.988 0.033 1.00 14.05 H new ATOM 0 HG22 ILE A 25 19.001 -16.726 0.390 1.00 14.05 H new ATOM 0 HG23 ILE A 25 20.014 -15.994 -0.877 1.00 14.05 H new ATOM 0 HD11 ILE A 25 16.713 -14.362 -4.057 1.00 4.22 H new ATOM 0 HD12 ILE A 25 16.481 -16.106 -3.789 1.00 4.22 H new ATOM 0 HD13 ILE A 25 15.825 -14.932 -2.624 1.00 4.22 H new ATOM 379 N GLN A 26 19.675 -17.617 -3.964 1.00 2.04 N ATOM 380 CA GLN A 26 20.961 -17.658 -4.650 1.00 20.11 C ATOM 381 C GLN A 26 21.319 -16.289 -5.218 1.00 53.23 C ATOM 382 O GLN A 26 22.477 -16.022 -5.535 1.00 43.12 O ATOM 383 CB GLN A 26 20.931 -18.697 -5.772 1.00 61.20 C ATOM 384 CG GLN A 26 20.870 -20.131 -5.272 1.00 34.43 C ATOM 385 CD GLN A 26 19.508 -20.764 -5.480 1.00 61.54 C ATOM 386 OE1 GLN A 26 18.866 -21.210 -4.529 1.00 74.42 O ATOM 387 NE2 GLN A 26 19.060 -20.807 -6.730 1.00 30.14 N ATOM 0 H GLN A 26 18.871 -17.502 -4.581 1.00 2.04 H new ATOM 0 HA GLN A 26 21.723 -17.940 -3.924 1.00 20.11 H new ATOM 0 HB2 GLN A 26 20.068 -18.506 -6.409 1.00 61.20 H new ATOM 0 HB3 GLN A 26 21.819 -18.575 -6.393 1.00 61.20 H new ATOM 0 HG2 GLN A 26 21.625 -20.724 -5.788 1.00 34.43 H new ATOM 0 HG3 GLN A 26 21.118 -20.153 -4.211 1.00 34.43 H new ATOM 0 HE21 GLN A 26 19.626 -20.425 -7.488 1.00 30.14 H new ATOM 0 HE22 GLN A 26 18.150 -21.222 -6.932 1.00 30.14 H new ATOM 396 N GLU A 27 20.316 -15.425 -5.345 1.00 32.44 N ATOM 397 CA GLU A 27 20.526 -14.084 -5.876 1.00 52.02 C ATOM 398 C GLU A 27 20.166 -13.025 -4.838 1.00 52.23 C ATOM 399 O GLU A 27 19.840 -13.345 -3.695 1.00 73.23 O ATOM 400 CB GLU A 27 19.692 -13.877 -7.143 1.00 3.14 C ATOM 401 CG GLU A 27 20.409 -13.081 -8.220 1.00 5.32 C ATOM 402 CD GLU A 27 20.153 -13.621 -9.613 1.00 70.41 C ATOM 403 OE1 GLU A 27 19.762 -12.827 -10.494 1.00 71.32 O ATOM 404 OE2 GLU A 27 20.343 -14.838 -9.822 1.00 52.44 O ATOM 0 H GLU A 27 19.351 -15.630 -5.087 1.00 32.44 H new ATOM 0 HA GLU A 27 21.582 -13.980 -6.124 1.00 52.02 H new ATOM 0 HB2 GLU A 27 19.413 -14.850 -7.547 1.00 3.14 H new ATOM 0 HB3 GLU A 27 18.767 -13.364 -6.879 1.00 3.14 H new ATOM 0 HG2 GLU A 27 20.087 -12.041 -8.173 1.00 5.32 H new ATOM 0 HG3 GLU A 27 21.481 -13.092 -8.022 1.00 5.32 H new ATOM 411 N VAL A 28 20.228 -11.761 -5.245 1.00 51.22 N ATOM 412 CA VAL A 28 19.908 -10.654 -4.352 1.00 3.40 C ATOM 413 C VAL A 28 18.650 -9.925 -4.809 1.00 13.31 C ATOM 414 O VAL A 28 18.555 -9.484 -5.955 1.00 10.52 O ATOM 415 CB VAL A 28 21.070 -9.646 -4.269 1.00 23.10 C ATOM 416 CG1 VAL A 28 20.848 -8.668 -3.126 1.00 3.43 C ATOM 417 CG2 VAL A 28 22.396 -10.374 -4.108 1.00 61.53 C ATOM 0 H VAL A 28 20.497 -11.478 -6.187 1.00 51.22 H new ATOM 0 HA VAL A 28 19.737 -11.083 -3.365 1.00 3.40 H new ATOM 0 HB VAL A 28 21.103 -9.079 -5.199 1.00 23.10 H new ATOM 0 HG11 VAL A 28 21.679 -7.964 -3.083 1.00 3.43 H new ATOM 0 HG12 VAL A 28 19.918 -8.123 -3.289 1.00 3.43 H new ATOM 0 HG13 VAL A 28 20.787 -9.215 -2.185 1.00 3.43 H new ATOM 0 HG21 VAL A 28 23.206 -9.647 -4.051 1.00 61.53 H new ATOM 0 HG22 VAL A 28 22.377 -10.968 -3.194 1.00 61.53 H new ATOM 0 HG23 VAL A 28 22.557 -11.030 -4.963 1.00 61.53 H new ATOM 427 N THR A 29 17.683 -9.801 -3.905 1.00 0.54 N ATOM 428 CA THR A 29 16.429 -9.126 -4.214 1.00 40.42 C ATOM 429 C THR A 29 16.200 -7.938 -3.286 1.00 61.03 C ATOM 430 O THR A 29 15.194 -7.238 -3.397 1.00 20.12 O ATOM 431 CB THR A 29 15.231 -10.087 -4.103 1.00 60.54 C ATOM 432 OG1 THR A 29 14.007 -9.369 -4.291 1.00 13.22 O ATOM 433 CG2 THR A 29 15.216 -10.780 -2.749 1.00 4.31 C ATOM 0 H THR A 29 17.745 -10.160 -2.952 1.00 0.54 H new ATOM 0 HA THR A 29 16.507 -8.771 -5.242 1.00 40.42 H new ATOM 0 HB THR A 29 15.329 -10.845 -4.880 1.00 60.54 H new ATOM 0 HG1 THR A 29 14.178 -8.407 -4.219 1.00 13.22 H new ATOM 0 HG21 THR A 29 14.361 -11.454 -2.694 1.00 4.31 H new ATOM 0 HG22 THR A 29 16.136 -11.351 -2.622 1.00 4.31 H new ATOM 0 HG23 THR A 29 15.140 -10.033 -1.959 1.00 4.31 H new ATOM 441 N GLN A 30 17.140 -7.717 -2.373 1.00 0.11 N ATOM 442 CA GLN A 30 17.039 -6.613 -1.426 1.00 4.22 C ATOM 443 C GLN A 30 17.587 -5.325 -2.031 1.00 44.30 C ATOM 444 O GLN A 30 17.664 -4.294 -1.361 1.00 23.20 O ATOM 445 CB GLN A 30 17.795 -6.947 -0.138 1.00 71.14 C ATOM 446 CG GLN A 30 16.942 -7.658 0.900 1.00 25.50 C ATOM 447 CD GLN A 30 16.160 -8.819 0.317 1.00 3.03 C ATOM 448 OE1 GLN A 30 15.065 -8.639 -0.215 1.00 73.13 O ATOM 449 NE2 GLN A 30 16.720 -10.019 0.415 1.00 21.11 N ATOM 0 H GLN A 30 17.979 -8.287 -2.269 1.00 0.11 H new ATOM 0 HA GLN A 30 15.985 -6.464 -1.192 1.00 4.22 H new ATOM 0 HB2 GLN A 30 18.653 -7.573 -0.382 1.00 71.14 H new ATOM 0 HB3 GLN A 30 18.185 -6.026 0.294 1.00 71.14 H new ATOM 0 HG2 GLN A 30 17.583 -8.023 1.703 1.00 25.50 H new ATOM 0 HG3 GLN A 30 16.248 -6.945 1.345 1.00 25.50 H new ATOM 0 HE21 GLN A 30 17.630 -10.122 0.864 1.00 21.11 H new ATOM 0 HE22 GLN A 30 16.240 -10.838 0.041 1.00 21.11 H new ATOM 458 N THR A 31 17.968 -5.389 -3.303 1.00 61.42 N ATOM 459 CA THR A 31 18.511 -4.229 -3.999 1.00 35.14 C ATOM 460 C THR A 31 17.552 -3.737 -5.077 1.00 1.31 C ATOM 461 O THR A 31 17.943 -2.990 -5.974 1.00 52.23 O ATOM 462 CB THR A 31 19.872 -4.547 -4.645 1.00 23.25 C ATOM 463 OG1 THR A 31 19.929 -5.930 -5.012 1.00 21.00 O ATOM 464 CG2 THR A 31 21.012 -4.223 -3.691 1.00 24.31 C ATOM 0 H THR A 31 17.910 -6.233 -3.873 1.00 61.42 H new ATOM 0 HA THR A 31 18.646 -3.447 -3.252 1.00 35.14 H new ATOM 0 HB THR A 31 19.979 -3.930 -5.537 1.00 23.25 H new ATOM 0 HG1 THR A 31 20.797 -6.124 -5.424 1.00 21.00 H new ATOM 0 HG21 THR A 31 21.964 -4.456 -4.169 1.00 24.31 H new ATOM 0 HG22 THR A 31 20.983 -3.164 -3.436 1.00 24.31 H new ATOM 0 HG23 THR A 31 20.907 -4.817 -2.783 1.00 24.31 H new ATOM 472 N TYR A 32 16.296 -4.159 -4.983 1.00 1.22 N ATOM 473 CA TYR A 32 15.282 -3.762 -5.952 1.00 13.41 C ATOM 474 C TYR A 32 14.122 -3.048 -5.265 1.00 13.42 C ATOM 475 O TYR A 32 13.770 -3.360 -4.127 1.00 23.24 O ATOM 476 CB TYR A 32 14.765 -4.985 -6.711 1.00 13.13 C ATOM 477 CG TYR A 32 15.538 -5.285 -7.975 1.00 1.12 C ATOM 478 CD1 TYR A 32 15.175 -4.712 -9.187 1.00 54.14 C ATOM 479 CD2 TYR A 32 16.632 -6.142 -7.957 1.00 55.11 C ATOM 480 CE1 TYR A 32 15.878 -4.983 -10.345 1.00 72.51 C ATOM 481 CE2 TYR A 32 17.341 -6.418 -9.109 1.00 44.05 C ATOM 482 CZ TYR A 32 16.961 -5.837 -10.301 1.00 13.31 C ATOM 483 OH TYR A 32 17.664 -6.110 -11.451 1.00 64.33 O ATOM 0 H TYR A 32 15.956 -4.776 -4.245 1.00 1.22 H new ATOM 0 HA TYR A 32 15.742 -3.072 -6.659 1.00 13.41 H new ATOM 0 HB2 TYR A 32 14.807 -5.854 -6.054 1.00 13.13 H new ATOM 0 HB3 TYR A 32 13.717 -4.828 -6.965 1.00 13.13 H new ATOM 0 HD1 TYR A 32 14.328 -4.043 -9.225 1.00 54.14 H new ATOM 0 HD2 TYR A 32 16.933 -6.600 -7.026 1.00 55.11 H new ATOM 0 HE1 TYR A 32 15.582 -4.529 -11.279 1.00 72.51 H new ATOM 0 HE2 TYR A 32 18.189 -7.086 -9.077 1.00 44.05 H new ATOM 0 HH TYR A 32 18.397 -6.728 -11.247 1.00 64.33 H new ATOM 493 N THR A 33 13.529 -2.086 -5.965 1.00 51.34 N ATOM 494 CA THR A 33 12.409 -1.326 -5.425 1.00 11.21 C ATOM 495 C THR A 33 11.394 -0.993 -6.513 1.00 23.03 C ATOM 496 O THR A 33 11.741 -0.893 -7.689 1.00 11.21 O ATOM 497 CB THR A 33 12.884 -0.018 -4.764 1.00 41.14 C ATOM 498 OG1 THR A 33 13.970 -0.287 -3.871 1.00 1.33 O ATOM 499 CG2 THR A 33 11.748 0.648 -4.004 1.00 15.15 C ATOM 0 H THR A 33 13.806 -1.815 -6.908 1.00 51.34 H new ATOM 0 HA THR A 33 11.936 -1.955 -4.671 1.00 11.21 H new ATOM 0 HB THR A 33 13.220 0.659 -5.549 1.00 41.14 H new ATOM 0 HG1 THR A 33 14.267 0.550 -3.456 1.00 1.33 H new ATOM 0 HG21 THR A 33 12.108 1.569 -3.546 1.00 15.15 H new ATOM 0 HG22 THR A 33 10.935 0.878 -4.693 1.00 15.15 H new ATOM 0 HG23 THR A 33 11.386 -0.026 -3.228 1.00 15.15 H new ATOM 507 N GLY A 34 10.138 -0.822 -6.112 1.00 1.12 N ATOM 508 CA GLY A 34 9.092 -0.501 -7.065 1.00 62.44 C ATOM 509 C GLY A 34 7.884 0.135 -6.408 1.00 53.53 C ATOM 510 O GLY A 34 7.227 0.993 -6.999 1.00 70.43 O ATOM 0 H GLY A 34 9.826 -0.900 -5.144 1.00 1.12 H new ATOM 0 HA2 GLY A 34 9.489 0.176 -7.821 1.00 62.44 H new ATOM 0 HA3 GLY A 34 8.784 -1.410 -7.582 1.00 62.44 H new ATOM 514 N SER A 35 7.588 -0.285 -5.183 1.00 22.15 N ATOM 515 CA SER A 35 6.447 0.246 -4.447 1.00 11.05 C ATOM 516 C SER A 35 6.905 1.202 -3.350 1.00 2.25 C ATOM 517 O SER A 35 7.888 0.943 -2.656 1.00 51.22 O ATOM 518 CB SER A 35 5.631 -0.895 -3.836 1.00 60.10 C ATOM 519 OG SER A 35 5.929 -2.129 -4.466 1.00 24.03 O ATOM 0 H SER A 35 8.123 -0.992 -4.679 1.00 22.15 H new ATOM 0 HA SER A 35 5.820 0.798 -5.147 1.00 11.05 H new ATOM 0 HB2 SER A 35 5.843 -0.967 -2.769 1.00 60.10 H new ATOM 0 HB3 SER A 35 4.567 -0.680 -3.936 1.00 60.10 H new ATOM 0 HG SER A 35 5.813 -2.860 -3.824 1.00 24.03 H new ATOM 525 N ASN A 36 6.185 2.309 -3.199 1.00 50.02 N ATOM 526 CA ASN A 36 6.517 3.305 -2.187 1.00 41.43 C ATOM 527 C ASN A 36 7.912 3.876 -2.423 1.00 23.11 C ATOM 528 O ASN A 36 8.630 4.198 -1.477 1.00 45.14 O ATOM 529 CB ASN A 36 6.435 2.690 -0.789 1.00 61.41 C ATOM 530 CG ASN A 36 5.564 3.501 0.150 1.00 10.31 C ATOM 531 OD1 ASN A 36 5.956 4.576 0.606 1.00 64.52 O ATOM 532 ND2 ASN A 36 4.374 2.990 0.444 1.00 24.51 N ATOM 0 H ASN A 36 5.368 2.539 -3.765 1.00 50.02 H new ATOM 0 HA ASN A 36 5.794 4.117 -2.262 1.00 41.43 H new ATOM 0 HB2 ASN A 36 6.039 1.677 -0.863 1.00 61.41 H new ATOM 0 HB3 ASN A 36 7.438 2.610 -0.371 1.00 61.41 H new ATOM 0 HD21 ASN A 36 3.744 3.492 1.070 1.00 24.51 H new ATOM 0 HD22 ASN A 36 4.090 2.096 0.043 1.00 24.51 H new ATOM 539 N GLY A 37 8.289 3.998 -3.692 1.00 42.41 N ATOM 540 CA GLY A 37 9.597 4.530 -4.030 1.00 15.53 C ATOM 541 C GLY A 37 9.891 4.446 -5.514 1.00 63.11 C ATOM 542 O GLY A 37 9.957 5.465 -6.200 1.00 51.02 O ATOM 0 H GLY A 37 7.712 3.738 -4.492 1.00 42.41 H new ATOM 0 HA2 GLY A 37 9.657 5.570 -3.709 1.00 15.53 H new ATOM 0 HA3 GLY A 37 10.362 3.982 -3.480 1.00 15.53 H new ATOM 546 N GLY A 38 10.071 3.226 -6.012 1.00 3.11 N ATOM 547 CA GLY A 38 10.361 3.035 -7.421 1.00 54.21 C ATOM 548 C GLY A 38 11.777 3.435 -7.782 1.00 5.55 C ATOM 549 O GLY A 38 11.996 4.470 -8.410 1.00 43.42 O ATOM 0 H GLY A 38 10.021 2.367 -5.465 1.00 3.11 H new ATOM 0 HA2 GLY A 38 10.205 1.988 -7.682 1.00 54.21 H new ATOM 0 HA3 GLY A 38 9.659 3.620 -8.016 1.00 54.21 H new ATOM 553 N ALA A 39 12.743 2.614 -7.381 1.00 53.30 N ATOM 554 CA ALA A 39 14.146 2.888 -7.666 1.00 13.21 C ATOM 555 C ALA A 39 15.044 1.793 -7.101 1.00 44.31 C ATOM 556 O ALA A 39 15.406 1.819 -5.925 1.00 2.53 O ATOM 557 CB ALA A 39 14.544 4.244 -7.102 1.00 31.13 C ATOM 0 H ALA A 39 12.579 1.754 -6.858 1.00 53.30 H new ATOM 0 HA ALA A 39 14.275 2.905 -8.748 1.00 13.21 H new ATOM 0 HB1 ALA A 39 15.594 4.436 -7.322 1.00 31.13 H new ATOM 0 HB2 ALA A 39 13.930 5.022 -7.557 1.00 31.13 H new ATOM 0 HB3 ALA A 39 14.393 4.248 -6.023 1.00 31.13 H new ATOM 563 N ASP A 40 15.400 0.832 -7.946 1.00 45.33 N ATOM 564 CA ASP A 40 16.258 -0.272 -7.531 1.00 74.11 C ATOM 565 C ASP A 40 17.696 0.198 -7.341 1.00 2.40 C ATOM 566 O ASP A 40 18.258 0.876 -8.203 1.00 23.33 O ATOM 567 CB ASP A 40 16.209 -1.400 -8.563 1.00 52.44 C ATOM 568 CG ASP A 40 16.716 -0.962 -9.924 1.00 15.45 C ATOM 569 OD1 ASP A 40 17.936 -1.068 -10.165 1.00 24.13 O ATOM 570 OD2 ASP A 40 15.891 -0.513 -10.747 1.00 61.11 O ATOM 0 H ASP A 40 15.108 0.795 -8.923 1.00 45.33 H new ATOM 0 HA ASP A 40 15.889 -0.647 -6.576 1.00 74.11 H new ATOM 0 HB2 ASP A 40 16.807 -2.239 -8.208 1.00 52.44 H new ATOM 0 HB3 ASP A 40 15.184 -1.757 -8.658 1.00 52.44 H new ATOM 575 N LEU A 41 18.287 -0.164 -6.207 1.00 53.25 N ATOM 576 CA LEU A 41 19.660 0.222 -5.903 1.00 62.10 C ATOM 577 C LEU A 41 20.215 -0.606 -4.748 1.00 40.31 C ATOM 578 O LEU A 41 19.612 -1.596 -4.336 1.00 22.12 O ATOM 579 CB LEU A 41 19.728 1.711 -5.558 1.00 21.55 C ATOM 580 CG LEU A 41 20.936 2.472 -6.104 1.00 24.01 C ATOM 581 CD1 LEU A 41 20.630 3.042 -7.480 1.00 65.33 C ATOM 582 CD2 LEU A 41 21.346 3.580 -5.145 1.00 45.20 C ATOM 0 H LEU A 41 17.836 -0.724 -5.483 1.00 53.25 H new ATOM 0 HA LEU A 41 20.269 0.033 -6.787 1.00 62.10 H new ATOM 0 HB2 LEU A 41 18.823 2.191 -5.930 1.00 21.55 H new ATOM 0 HB3 LEU A 41 19.720 1.813 -4.473 1.00 21.55 H new ATOM 0 HG LEU A 41 21.768 1.775 -6.199 1.00 24.01 H new ATOM 0 HD11 LEU A 41 21.501 3.580 -7.853 1.00 65.33 H new ATOM 0 HD12 LEU A 41 20.385 2.230 -8.164 1.00 65.33 H new ATOM 0 HD13 LEU A 41 19.784 3.725 -7.411 1.00 65.33 H new ATOM 0 HD21 LEU A 41 22.207 4.111 -5.550 1.00 45.20 H new ATOM 0 HD22 LEU A 41 20.517 4.276 -5.018 1.00 45.20 H new ATOM 0 HD23 LEU A 41 21.608 3.147 -4.179 1.00 45.20 H new ATOM 594 N MET A 42 21.366 -0.191 -4.229 1.00 62.02 N ATOM 595 CA MET A 42 22.000 -0.893 -3.119 1.00 42.50 C ATOM 596 C MET A 42 22.014 -0.025 -1.864 1.00 52.15 C ATOM 597 O MET A 42 22.558 1.078 -1.867 1.00 10.40 O ATOM 598 CB MET A 42 23.429 -1.294 -3.491 1.00 31.21 C ATOM 599 CG MET A 42 24.082 -2.221 -2.479 1.00 23.30 C ATOM 600 SD MET A 42 25.340 -1.392 -1.488 1.00 15.04 S ATOM 601 CE MET A 42 26.812 -1.743 -2.446 1.00 12.44 C ATOM 0 H MET A 42 21.878 0.627 -4.559 1.00 62.02 H new ATOM 0 HA MET A 42 21.420 -1.792 -2.912 1.00 42.50 H new ATOM 0 HB2 MET A 42 23.419 -1.782 -4.465 1.00 31.21 H new ATOM 0 HB3 MET A 42 24.036 -0.394 -3.592 1.00 31.21 H new ATOM 0 HG2 MET A 42 23.316 -2.630 -1.819 1.00 23.30 H new ATOM 0 HG3 MET A 42 24.534 -3.063 -3.003 1.00 23.30 H new ATOM 0 HE1 MET A 42 27.678 -1.294 -1.960 1.00 12.44 H new ATOM 0 HE2 MET A 42 26.953 -2.822 -2.515 1.00 12.44 H new ATOM 0 HE3 MET A 42 26.702 -1.327 -3.447 1.00 12.44 H new ATOM 611 N GLY A 43 21.411 -0.531 -0.793 1.00 75.52 N ATOM 612 CA GLY A 43 21.365 0.211 0.453 1.00 53.12 C ATOM 613 C GLY A 43 20.898 -0.639 1.618 1.00 71.24 C ATOM 614 O GLY A 43 21.668 -0.972 2.519 1.00 13.41 O ATOM 0 H GLY A 43 20.953 -1.442 -0.766 1.00 75.52 H new ATOM 0 HA2 GLY A 43 22.356 0.609 0.672 1.00 53.12 H new ATOM 0 HA3 GLY A 43 20.697 1.065 0.339 1.00 53.12 H new ATOM 618 N PRO A 44 19.607 -1.004 1.609 1.00 1.23 N ATOM 619 CA PRO A 44 19.009 -1.824 2.667 1.00 64.20 C ATOM 620 C PRO A 44 19.517 -3.262 2.642 1.00 0.11 C ATOM 621 O PRO A 44 19.474 -3.963 3.653 1.00 40.34 O ATOM 622 CB PRO A 44 17.513 -1.780 2.347 1.00 1.25 C ATOM 623 CG PRO A 44 17.446 -1.512 0.883 1.00 21.44 C ATOM 624 CD PRO A 44 18.632 -0.644 0.567 1.00 52.55 C ATOM 0 HA PRO A 44 19.257 -1.452 3.661 1.00 64.20 H new ATOM 0 HB2 PRO A 44 17.026 -2.722 2.600 1.00 1.25 H new ATOM 0 HB3 PRO A 44 17.009 -0.998 2.916 1.00 1.25 H new ATOM 0 HG2 PRO A 44 17.480 -2.441 0.314 1.00 21.44 H new ATOM 0 HG3 PRO A 44 16.514 -1.011 0.620 1.00 21.44 H new ATOM 0 HD2 PRO A 44 19.020 -0.843 -0.432 1.00 52.55 H new ATOM 0 HD3 PRO A 44 18.376 0.415 0.605 1.00 52.55 H new ATOM 632 N ALA A 45 19.998 -3.695 1.481 1.00 11.32 N ATOM 633 CA ALA A 45 20.516 -5.048 1.326 1.00 61.20 C ATOM 634 C ALA A 45 21.766 -5.258 2.173 1.00 4.14 C ATOM 635 O ALA A 45 21.888 -6.257 2.882 1.00 34.23 O ATOM 636 CB ALA A 45 20.814 -5.334 -0.138 1.00 64.53 C ATOM 0 H ALA A 45 20.039 -3.128 0.634 1.00 11.32 H new ATOM 0 HA ALA A 45 19.753 -5.745 1.673 1.00 61.20 H new ATOM 0 HB1 ALA A 45 21.200 -6.348 -0.239 1.00 64.53 H new ATOM 0 HB2 ALA A 45 19.899 -5.234 -0.722 1.00 64.53 H new ATOM 0 HB3 ALA A 45 21.557 -4.625 -0.503 1.00 64.53 H new ATOM 642 N PHE A 46 22.694 -4.310 2.095 1.00 24.01 N ATOM 643 CA PHE A 46 23.937 -4.392 2.854 1.00 70.10 C ATOM 644 C PHE A 46 23.774 -3.762 4.234 1.00 32.42 C ATOM 645 O PHE A 46 24.562 -4.021 5.143 1.00 31.13 O ATOM 646 CB PHE A 46 25.070 -3.698 2.095 1.00 53.11 C ATOM 647 CG PHE A 46 26.429 -4.261 2.399 1.00 15.15 C ATOM 648 CD1 PHE A 46 27.439 -3.445 2.881 1.00 43.44 C ATOM 649 CD2 PHE A 46 26.695 -5.607 2.204 1.00 1.51 C ATOM 650 CE1 PHE A 46 28.691 -3.960 3.162 1.00 12.53 C ATOM 651 CE2 PHE A 46 27.944 -6.127 2.484 1.00 23.13 C ATOM 652 CZ PHE A 46 28.944 -5.302 2.963 1.00 73.52 C ATOM 0 H PHE A 46 22.609 -3.476 1.514 1.00 24.01 H new ATOM 0 HA PHE A 46 24.186 -5.445 2.982 1.00 70.10 H new ATOM 0 HB2 PHE A 46 24.883 -3.780 1.024 1.00 53.11 H new ATOM 0 HB3 PHE A 46 25.063 -2.636 2.339 1.00 53.11 H new ATOM 0 HD1 PHE A 46 27.246 -2.394 3.039 1.00 43.44 H new ATOM 0 HD2 PHE A 46 25.918 -6.256 1.829 1.00 1.51 H new ATOM 0 HE1 PHE A 46 29.470 -3.313 3.537 1.00 12.53 H new ATOM 0 HE2 PHE A 46 28.139 -7.178 2.329 1.00 23.13 H new ATOM 0 HZ PHE A 46 29.921 -5.707 3.181 1.00 73.52 H new ATOM 662 N ALA A 47 22.745 -2.934 4.382 1.00 4.22 N ATOM 663 CA ALA A 47 22.477 -2.268 5.651 1.00 42.13 C ATOM 664 C ALA A 47 22.119 -3.278 6.736 1.00 40.42 C ATOM 665 O ALA A 47 22.502 -3.120 7.895 1.00 52.53 O ATOM 666 CB ALA A 47 21.360 -1.249 5.486 1.00 54.41 C ATOM 0 H ALA A 47 22.083 -2.708 3.639 1.00 4.22 H new ATOM 0 HA ALA A 47 23.384 -1.749 5.960 1.00 42.13 H new ATOM 0 HB1 ALA A 47 21.170 -0.759 6.441 1.00 54.41 H new ATOM 0 HB2 ALA A 47 21.654 -0.503 4.748 1.00 54.41 H new ATOM 0 HB3 ALA A 47 20.454 -1.754 5.151 1.00 54.41 H new ATOM 672 N ALA A 48 21.382 -4.315 6.352 1.00 11.24 N ATOM 673 CA ALA A 48 20.973 -5.351 7.293 1.00 44.12 C ATOM 674 C ALA A 48 21.872 -6.578 7.182 1.00 2.25 C ATOM 675 O ALA A 48 21.978 -7.368 8.119 1.00 35.51 O ATOM 676 CB ALA A 48 19.520 -5.736 7.056 1.00 45.42 C ATOM 0 H ALA A 48 21.056 -4.460 5.396 1.00 11.24 H new ATOM 0 HA ALA A 48 21.071 -4.950 8.302 1.00 44.12 H new ATOM 0 HB1 ALA A 48 19.228 -6.510 7.766 1.00 45.42 H new ATOM 0 HB2 ALA A 48 18.885 -4.861 7.193 1.00 45.42 H new ATOM 0 HB3 ALA A 48 19.405 -6.113 6.040 1.00 45.42 H new ATOM 682 N GLY A 49 22.519 -6.731 6.031 1.00 53.34 N ATOM 683 CA GLY A 49 23.400 -7.864 5.819 1.00 34.52 C ATOM 684 C GLY A 49 22.758 -8.948 4.976 1.00 73.04 C ATOM 685 O GLY A 49 23.237 -10.082 4.938 1.00 21.13 O ATOM 0 H GLY A 49 22.449 -6.090 5.241 1.00 53.34 H new ATOM 0 HA2 GLY A 49 24.314 -7.523 5.333 1.00 34.52 H new ATOM 0 HA3 GLY A 49 23.689 -8.281 6.784 1.00 34.52 H new ATOM 689 N LEU A 50 21.669 -8.601 4.298 1.00 44.34 N ATOM 690 CA LEU A 50 20.959 -9.553 3.451 1.00 31.01 C ATOM 691 C LEU A 50 21.798 -9.932 2.235 1.00 53.33 C ATOM 692 O LEU A 50 22.041 -9.106 1.355 1.00 50.23 O ATOM 693 CB LEU A 50 19.621 -8.965 2.999 1.00 2.33 C ATOM 694 CG LEU A 50 18.799 -8.260 4.079 1.00 73.40 C ATOM 695 CD1 LEU A 50 18.744 -6.763 3.817 1.00 61.41 C ATOM 696 CD2 LEU A 50 17.395 -8.844 4.145 1.00 12.33 C ATOM 0 H LEU A 50 21.259 -7.667 4.318 1.00 44.34 H new ATOM 0 HA LEU A 50 20.774 -10.454 4.036 1.00 31.01 H new ATOM 0 HB2 LEU A 50 19.812 -8.255 2.195 1.00 2.33 H new ATOM 0 HB3 LEU A 50 19.017 -9.769 2.578 1.00 2.33 H new ATOM 0 HG LEU A 50 19.284 -8.421 5.042 1.00 73.40 H new ATOM 0 HD11 LEU A 50 18.155 -6.279 4.596 1.00 61.41 H new ATOM 0 HD12 LEU A 50 19.755 -6.356 3.821 1.00 61.41 H new ATOM 0 HD13 LEU A 50 18.283 -6.580 2.847 1.00 61.41 H new ATOM 0 HD21 LEU A 50 16.824 -8.331 4.919 1.00 12.33 H new ATOM 0 HD22 LEU A 50 16.901 -8.713 3.182 1.00 12.33 H new ATOM 0 HD23 LEU A 50 17.454 -9.906 4.382 1.00 12.33 H new ATOM 708 N ARG A 51 22.235 -11.186 2.191 1.00 2.23 N ATOM 709 CA ARG A 51 23.046 -11.674 1.082 1.00 32.22 C ATOM 710 C ARG A 51 22.583 -13.059 0.639 1.00 32.00 C ATOM 711 O ARG A 51 21.722 -13.670 1.273 1.00 51.44 O ATOM 712 CB ARG A 51 24.521 -11.722 1.483 1.00 23.24 C ATOM 713 CG ARG A 51 25.456 -11.131 0.440 1.00 35.04 C ATOM 714 CD ARG A 51 26.676 -12.012 0.222 1.00 34.01 C ATOM 715 NE ARG A 51 27.816 -11.252 -0.283 1.00 22.25 N ATOM 716 CZ ARG A 51 28.612 -10.521 0.490 1.00 52.21 C ATOM 717 NH1 ARG A 51 28.392 -10.451 1.796 1.00 63.23 N ATOM 718 NH2 ARG A 51 29.630 -9.858 -0.043 1.00 52.45 N ATOM 0 H ARG A 51 22.041 -11.883 2.910 1.00 2.23 H new ATOM 0 HA ARG A 51 22.926 -10.985 0.246 1.00 32.22 H new ATOM 0 HB2 ARG A 51 24.651 -11.184 2.422 1.00 23.24 H new ATOM 0 HB3 ARG A 51 24.805 -12.758 1.668 1.00 23.24 H new ATOM 0 HG2 ARG A 51 24.921 -11.009 -0.502 1.00 35.04 H new ATOM 0 HG3 ARG A 51 25.775 -10.138 0.757 1.00 35.04 H new ATOM 0 HD2 ARG A 51 26.948 -12.493 1.161 1.00 34.01 H new ATOM 0 HD3 ARG A 51 26.429 -12.806 -0.483 1.00 34.01 H new ATOM 0 HE ARG A 51 28.012 -11.284 -1.283 1.00 22.25 H new ATOM 0 HH11 ARG A 51 27.610 -10.959 2.209 1.00 63.23 H new ATOM 0 HH12 ARG A 51 29.005 -9.889 2.387 1.00 63.23 H new ATOM 0 HH21 ARG A 51 29.802 -9.909 -1.047 1.00 52.45 H new ATOM 0 HH22 ARG A 51 30.240 -9.297 0.551 1.00 52.45 H new ATOM 732 N VAL A 52 23.160 -13.549 -0.454 1.00 10.33 N ATOM 733 CA VAL A 52 22.807 -14.861 -0.982 1.00 24.22 C ATOM 734 C VAL A 52 23.258 -15.972 -0.040 1.00 3.23 C ATOM 735 O VAL A 52 24.416 -16.017 0.375 1.00 14.42 O ATOM 736 CB VAL A 52 23.434 -15.095 -2.370 1.00 15.45 C ATOM 737 CG1 VAL A 52 22.873 -14.106 -3.381 1.00 65.42 C ATOM 738 CG2 VAL A 52 24.949 -14.991 -2.294 1.00 23.41 C ATOM 0 H VAL A 52 23.874 -13.057 -0.991 1.00 10.33 H new ATOM 0 HA VAL A 52 21.721 -14.884 -1.073 1.00 24.22 H new ATOM 0 HB VAL A 52 23.179 -16.102 -2.701 1.00 15.45 H new ATOM 0 HG11 VAL A 52 23.327 -14.285 -4.356 1.00 65.42 H new ATOM 0 HG12 VAL A 52 21.793 -14.234 -3.454 1.00 65.42 H new ATOM 0 HG13 VAL A 52 23.097 -13.089 -3.058 1.00 65.42 H new ATOM 0 HG21 VAL A 52 25.375 -15.159 -3.283 1.00 23.41 H new ATOM 0 HG22 VAL A 52 25.228 -13.998 -1.942 1.00 23.41 H new ATOM 0 HG23 VAL A 52 25.331 -15.742 -1.602 1.00 23.41 H new ATOM 748 N GLY A 53 22.335 -16.868 0.294 1.00 30.45 N ATOM 749 CA GLY A 53 22.657 -17.968 1.185 1.00 13.13 C ATOM 750 C GLY A 53 21.663 -18.103 2.322 1.00 10.10 C ATOM 751 O GLY A 53 21.611 -19.135 2.991 1.00 24.01 O ATOM 0 H GLY A 53 21.370 -16.852 -0.036 1.00 30.45 H new ATOM 0 HA2 GLY A 53 22.682 -18.897 0.616 1.00 13.13 H new ATOM 0 HA3 GLY A 53 23.656 -17.819 1.595 1.00 13.13 H new ATOM 755 N ASP A 54 20.873 -17.058 2.542 1.00 1.23 N ATOM 756 CA ASP A 54 19.876 -17.064 3.607 1.00 43.33 C ATOM 757 C ASP A 54 18.495 -17.407 3.056 1.00 5.52 C ATOM 758 O ASP A 54 17.972 -16.707 2.190 1.00 53.21 O ATOM 759 CB ASP A 54 19.837 -15.704 4.305 1.00 1.34 C ATOM 760 CG ASP A 54 20.514 -15.730 5.662 1.00 41.13 C ATOM 761 OD1 ASP A 54 21.748 -15.916 5.706 1.00 64.34 O ATOM 762 OD2 ASP A 54 19.810 -15.563 6.679 1.00 31.21 O ATOM 0 H ASP A 54 20.903 -16.196 1.997 1.00 1.23 H new ATOM 0 HA ASP A 54 20.158 -17.828 4.332 1.00 43.33 H new ATOM 0 HB2 ASP A 54 20.324 -14.961 3.674 1.00 1.34 H new ATOM 0 HB3 ASP A 54 18.800 -15.390 4.425 1.00 1.34 H new ATOM 767 N GLN A 55 17.913 -18.488 3.564 1.00 1.35 N ATOM 768 CA GLN A 55 16.594 -18.924 3.122 1.00 41.22 C ATOM 769 C GLN A 55 15.514 -17.955 3.591 1.00 3.53 C ATOM 770 O GLN A 55 15.216 -17.871 4.783 1.00 10.15 O ATOM 771 CB GLN A 55 16.296 -20.330 3.645 1.00 23.01 C ATOM 772 CG GLN A 55 17.402 -21.333 3.357 1.00 33.01 C ATOM 773 CD GLN A 55 17.140 -22.687 3.987 1.00 1.22 C ATOM 774 OE1 GLN A 55 17.030 -22.806 5.208 1.00 45.51 O ATOM 775 NE2 GLN A 55 17.038 -23.717 3.156 1.00 61.31 N ATOM 0 H GLN A 55 18.334 -19.078 4.282 1.00 1.35 H new ATOM 0 HA GLN A 55 16.592 -18.941 2.032 1.00 41.22 H new ATOM 0 HB2 GLN A 55 16.132 -20.281 4.722 1.00 23.01 H new ATOM 0 HB3 GLN A 55 15.368 -20.686 3.197 1.00 23.01 H new ATOM 0 HG2 GLN A 55 17.507 -21.452 2.279 1.00 33.01 H new ATOM 0 HG3 GLN A 55 18.349 -20.941 3.728 1.00 33.01 H new ATOM 0 HE21 GLN A 55 17.136 -23.573 2.151 1.00 61.31 H new ATOM 0 HE22 GLN A 55 16.862 -24.652 3.522 1.00 61.31 H new ATOM 784 N LEU A 56 14.932 -17.223 2.647 1.00 33.55 N ATOM 785 CA LEU A 56 13.884 -16.259 2.964 1.00 3.34 C ATOM 786 C LEU A 56 12.512 -16.924 2.962 1.00 31.50 C ATOM 787 O LEU A 56 11.991 -17.294 1.909 1.00 1.34 O ATOM 788 CB LEU A 56 13.906 -15.105 1.960 1.00 13.25 C ATOM 789 CG LEU A 56 15.158 -14.227 1.973 1.00 70.41 C ATOM 790 CD1 LEU A 56 16.036 -14.533 0.769 1.00 12.12 C ATOM 791 CD2 LEU A 56 14.777 -12.754 1.997 1.00 31.44 C ATOM 0 H LEU A 56 15.168 -17.279 1.656 1.00 33.55 H new ATOM 0 HA LEU A 56 14.075 -15.868 3.963 1.00 3.34 H new ATOM 0 HB2 LEU A 56 13.787 -15.519 0.959 1.00 13.25 H new ATOM 0 HB3 LEU A 56 13.040 -14.470 2.147 1.00 13.25 H new ATOM 0 HG LEU A 56 15.725 -14.449 2.877 1.00 70.41 H new ATOM 0 HD11 LEU A 56 16.922 -13.899 0.794 1.00 12.12 H new ATOM 0 HD12 LEU A 56 16.338 -15.580 0.796 1.00 12.12 H new ATOM 0 HD13 LEU A 56 15.478 -14.339 -0.147 1.00 12.12 H new ATOM 0 HD21 LEU A 56 15.681 -12.145 2.006 1.00 31.44 H new ATOM 0 HD22 LEU A 56 14.188 -12.516 1.111 1.00 31.44 H new ATOM 0 HD23 LEU A 56 14.189 -12.545 2.891 1.00 31.44 H new ATOM 803 N VAL A 57 11.930 -17.073 4.148 1.00 72.02 N ATOM 804 CA VAL A 57 10.616 -17.691 4.283 1.00 62.04 C ATOM 805 C VAL A 57 9.582 -16.682 4.769 1.00 33.51 C ATOM 806 O VAL A 57 8.449 -16.659 4.288 1.00 52.32 O ATOM 807 CB VAL A 57 10.654 -18.882 5.258 1.00 32.50 C ATOM 808 CG1 VAL A 57 11.272 -20.101 4.590 1.00 44.35 C ATOM 809 CG2 VAL A 57 11.416 -18.512 6.521 1.00 24.42 C ATOM 0 H VAL A 57 12.348 -16.774 5.029 1.00 72.02 H new ATOM 0 HA VAL A 57 10.331 -18.050 3.294 1.00 62.04 H new ATOM 0 HB VAL A 57 9.631 -19.132 5.538 1.00 32.50 H new ATOM 0 HG11 VAL A 57 11.290 -20.932 5.295 1.00 44.35 H new ATOM 0 HG12 VAL A 57 10.679 -20.378 3.718 1.00 44.35 H new ATOM 0 HG13 VAL A 57 12.290 -19.868 4.278 1.00 44.35 H new ATOM 0 HG21 VAL A 57 11.433 -19.365 7.199 1.00 24.42 H new ATOM 0 HG22 VAL A 57 12.438 -18.234 6.261 1.00 24.42 H new ATOM 0 HG23 VAL A 57 10.924 -17.671 7.009 1.00 24.42 H new ATOM 819 N ARG A 58 9.979 -15.850 5.726 1.00 21.31 N ATOM 820 CA ARG A 58 9.086 -14.839 6.279 1.00 60.22 C ATOM 821 C ARG A 58 7.765 -15.463 6.719 1.00 53.13 C ATOM 822 O ARG A 58 6.719 -14.814 6.686 1.00 33.32 O ATOM 823 CB ARG A 58 8.825 -13.740 5.247 1.00 0.04 C ATOM 824 CG ARG A 58 8.311 -12.445 5.854 1.00 11.25 C ATOM 825 CD ARG A 58 9.317 -11.847 6.826 1.00 73.12 C ATOM 826 NE ARG A 58 9.057 -12.257 8.203 1.00 4.04 N ATOM 827 CZ ARG A 58 8.146 -11.684 8.981 1.00 32.14 C ATOM 828 NH1 ARG A 58 7.410 -10.683 8.519 1.00 1.54 N ATOM 829 NH2 ARG A 58 7.968 -12.113 10.224 1.00 24.44 N ATOM 0 H ARG A 58 10.914 -15.856 6.135 1.00 21.31 H new ATOM 0 HA ARG A 58 9.569 -14.401 7.152 1.00 60.22 H new ATOM 0 HB2 ARG A 58 9.748 -13.536 4.705 1.00 0.04 H new ATOM 0 HB3 ARG A 58 8.100 -14.103 4.518 1.00 0.04 H new ATOM 0 HG2 ARG A 58 8.100 -11.728 5.060 1.00 11.25 H new ATOM 0 HG3 ARG A 58 7.370 -12.633 6.372 1.00 11.25 H new ATOM 0 HD2 ARG A 58 10.323 -12.153 6.540 1.00 73.12 H new ATOM 0 HD3 ARG A 58 9.284 -10.760 6.759 1.00 73.12 H new ATOM 0 HE ARG A 58 9.605 -13.026 8.589 1.00 4.04 H new ATOM 0 HH11 ARG A 58 7.543 -10.351 7.564 1.00 1.54 H new ATOM 0 HH12 ARG A 58 6.711 -10.245 9.119 1.00 1.54 H new ATOM 0 HH21 ARG A 58 8.531 -12.884 10.583 1.00 24.44 H new ATOM 0 HH22 ARG A 58 7.268 -11.672 10.820 1.00 24.44 H new ATOM 843 N PHE A 59 7.820 -16.726 7.129 1.00 1.43 N ATOM 844 CA PHE A 59 6.628 -17.438 7.574 1.00 11.33 C ATOM 845 C PHE A 59 6.920 -18.256 8.829 1.00 73.24 C ATOM 846 O PHE A 59 8.024 -18.770 9.005 1.00 41.35 O ATOM 847 CB PHE A 59 6.110 -18.353 6.463 1.00 25.50 C ATOM 848 CG PHE A 59 5.391 -17.620 5.368 1.00 54.50 C ATOM 849 CD1 PHE A 59 4.362 -16.740 5.665 1.00 32.32 C ATOM 850 CD2 PHE A 59 5.742 -17.809 4.041 1.00 24.43 C ATOM 851 CE1 PHE A 59 3.698 -16.063 4.660 1.00 75.01 C ATOM 852 CE2 PHE A 59 5.082 -17.135 3.032 1.00 40.41 C ATOM 853 CZ PHE A 59 4.058 -16.261 3.341 1.00 34.45 C ATOM 0 H PHE A 59 8.677 -17.277 7.162 1.00 1.43 H new ATOM 0 HA PHE A 59 5.862 -16.700 7.813 1.00 11.33 H new ATOM 0 HB2 PHE A 59 6.949 -18.900 6.033 1.00 25.50 H new ATOM 0 HB3 PHE A 59 5.437 -19.092 6.897 1.00 25.50 H new ATOM 0 HD1 PHE A 59 4.076 -16.582 6.694 1.00 32.32 H new ATOM 0 HD2 PHE A 59 6.541 -18.492 3.793 1.00 24.43 H new ATOM 0 HE1 PHE A 59 2.898 -15.380 4.905 1.00 75.01 H new ATOM 0 HE2 PHE A 59 5.366 -17.291 2.002 1.00 40.41 H new ATOM 0 HZ PHE A 59 3.540 -15.734 2.553 1.00 34.45 H new ATOM 863 N ALA A 60 5.921 -18.372 9.698 1.00 60.23 N ATOM 864 CA ALA A 60 6.069 -19.129 10.935 1.00 40.31 C ATOM 865 C ALA A 60 6.123 -20.627 10.659 1.00 72.52 C ATOM 866 O ALA A 60 5.123 -21.234 10.276 1.00 24.45 O ATOM 867 CB ALA A 60 4.929 -18.807 11.890 1.00 3.40 C ATOM 0 H ALA A 60 5.001 -17.952 9.568 1.00 60.23 H new ATOM 0 HA ALA A 60 7.011 -18.838 11.400 1.00 40.31 H new ATOM 0 HB1 ALA A 60 5.052 -19.379 12.810 1.00 3.40 H new ATOM 0 HB2 ALA A 60 4.938 -17.742 12.121 1.00 3.40 H new ATOM 0 HB3 ALA A 60 3.979 -19.069 11.424 1.00 3.40 H new ATOM 873 N GLY A 61 7.297 -21.219 10.855 1.00 65.04 N ATOM 874 CA GLY A 61 7.459 -22.642 10.621 1.00 65.12 C ATOM 875 C GLY A 61 8.681 -22.956 9.780 1.00 71.10 C ATOM 876 O GLY A 61 8.955 -24.119 9.481 1.00 41.42 O ATOM 0 H GLY A 61 8.139 -20.738 11.172 1.00 65.04 H new ATOM 0 HA2 GLY A 61 7.538 -23.158 11.578 1.00 65.12 H new ATOM 0 HA3 GLY A 61 6.570 -23.029 10.123 1.00 65.12 H new ATOM 880 N TYR A 62 9.416 -21.918 9.396 1.00 33.23 N ATOM 881 CA TYR A 62 10.612 -22.089 8.581 1.00 44.40 C ATOM 882 C TYR A 62 10.271 -22.731 7.240 1.00 22.30 C ATOM 883 O TYR A 62 11.017 -23.569 6.731 1.00 50.43 O ATOM 884 CB TYR A 62 11.642 -22.944 9.322 1.00 40.34 C ATOM 885 CG TYR A 62 11.656 -22.716 10.816 1.00 12.33 C ATOM 886 CD1 TYR A 62 11.705 -21.430 11.342 1.00 34.41 C ATOM 887 CD2 TYR A 62 11.621 -23.785 11.703 1.00 60.05 C ATOM 888 CE1 TYR A 62 11.718 -21.217 12.707 1.00 60.10 C ATOM 889 CE2 TYR A 62 11.633 -23.581 13.069 1.00 74.13 C ATOM 890 CZ TYR A 62 11.681 -22.296 13.566 1.00 4.51 C ATOM 891 OH TYR A 62 11.695 -22.088 14.926 1.00 34.34 O ATOM 0 H TYR A 62 9.204 -20.950 9.636 1.00 33.23 H new ATOM 0 HA TYR A 62 11.036 -21.103 8.393 1.00 44.40 H new ATOM 0 HB2 TYR A 62 11.437 -23.996 9.126 1.00 40.34 H new ATOM 0 HB3 TYR A 62 12.633 -22.732 8.921 1.00 40.34 H new ATOM 0 HD1 TYR A 62 11.733 -20.583 10.672 1.00 34.41 H new ATOM 0 HD2 TYR A 62 11.584 -24.793 11.318 1.00 60.05 H new ATOM 0 HE1 TYR A 62 11.757 -20.212 13.099 1.00 60.10 H new ATOM 0 HE2 TYR A 62 11.605 -24.424 13.744 1.00 74.13 H new ATOM 0 HH TYR A 62 11.663 -22.951 15.389 1.00 34.34 H new ATOM 901 N THR A 63 9.137 -22.333 6.672 1.00 44.34 N ATOM 902 CA THR A 63 8.695 -22.868 5.390 1.00 21.55 C ATOM 903 C THR A 63 8.217 -21.756 4.465 1.00 41.24 C ATOM 904 O THR A 63 7.778 -20.700 4.921 1.00 34.42 O ATOM 905 CB THR A 63 7.559 -23.893 5.572 1.00 23.10 C ATOM 906 OG1 THR A 63 7.039 -24.279 4.295 1.00 12.11 O ATOM 907 CG2 THR A 63 6.442 -23.316 6.428 1.00 74.14 C ATOM 0 H THR A 63 8.508 -21.642 7.080 1.00 44.34 H new ATOM 0 HA THR A 63 9.555 -23.365 4.941 1.00 21.55 H new ATOM 0 HB THR A 63 7.966 -24.769 6.077 1.00 23.10 H new ATOM 0 HG1 THR A 63 7.749 -24.699 3.766 1.00 12.11 H new ATOM 0 HG21 THR A 63 5.651 -24.058 6.543 1.00 74.14 H new ATOM 0 HG22 THR A 63 6.836 -23.051 7.409 1.00 74.14 H new ATOM 0 HG23 THR A 63 6.037 -22.426 5.946 1.00 74.14 H new ATOM 915 N VAL A 64 8.305 -21.999 3.161 1.00 40.54 N ATOM 916 CA VAL A 64 7.880 -21.017 2.170 1.00 75.11 C ATOM 917 C VAL A 64 7.345 -21.699 0.916 1.00 53.25 C ATOM 918 O VAL A 64 7.647 -22.863 0.651 1.00 72.03 O ATOM 919 CB VAL A 64 9.036 -20.078 1.777 1.00 33.24 C ATOM 920 CG1 VAL A 64 10.031 -20.802 0.884 1.00 43.25 C ATOM 921 CG2 VAL A 64 8.499 -18.831 1.091 1.00 2.04 C ATOM 0 H VAL A 64 8.667 -22.867 2.766 1.00 40.54 H new ATOM 0 HA VAL A 64 7.085 -20.429 2.628 1.00 75.11 H new ATOM 0 HB VAL A 64 9.556 -19.770 2.684 1.00 33.24 H new ATOM 0 HG11 VAL A 64 10.841 -20.123 0.616 1.00 43.25 H new ATOM 0 HG12 VAL A 64 10.439 -21.662 1.416 1.00 43.25 H new ATOM 0 HG13 VAL A 64 9.528 -21.141 -0.021 1.00 43.25 H new ATOM 0 HG21 VAL A 64 9.329 -18.179 0.820 1.00 2.04 H new ATOM 0 HG22 VAL A 64 7.954 -19.117 0.192 1.00 2.04 H new ATOM 0 HG23 VAL A 64 7.829 -18.303 1.769 1.00 2.04 H new ATOM 931 N THR A 65 6.548 -20.966 0.144 1.00 12.21 N ATOM 932 CA THR A 65 5.970 -21.499 -1.083 1.00 33.12 C ATOM 933 C THR A 65 6.945 -21.377 -2.248 1.00 73.42 C ATOM 934 O THR A 65 7.413 -22.381 -2.784 1.00 63.01 O ATOM 935 CB THR A 65 4.659 -20.776 -1.447 1.00 22.21 C ATOM 936 OG1 THR A 65 4.265 -19.909 -0.378 1.00 34.12 O ATOM 937 CG2 THR A 65 3.550 -21.777 -1.730 1.00 74.45 C ATOM 0 H THR A 65 6.288 -20.001 0.348 1.00 12.21 H new ATOM 0 HA THR A 65 5.757 -22.552 -0.900 1.00 33.12 H new ATOM 0 HB THR A 65 4.833 -20.186 -2.347 1.00 22.21 H new ATOM 0 HG1 THR A 65 3.359 -19.575 -0.545 1.00 34.12 H new ATOM 0 HG21 THR A 65 2.634 -21.243 -1.985 1.00 74.45 H new ATOM 0 HG22 THR A 65 3.841 -22.416 -2.563 1.00 74.45 H new ATOM 0 HG23 THR A 65 3.379 -22.390 -0.845 1.00 74.45 H new ATOM 945 N GLU A 66 7.246 -20.142 -2.635 1.00 3.31 N ATOM 946 CA GLU A 66 8.166 -19.890 -3.738 1.00 24.41 C ATOM 947 C GLU A 66 8.346 -18.392 -3.966 1.00 24.33 C ATOM 948 O GLU A 66 7.812 -17.571 -3.220 1.00 15.41 O ATOM 949 CB GLU A 66 7.656 -20.554 -5.018 1.00 61.45 C ATOM 950 CG GLU A 66 6.196 -20.258 -5.317 1.00 60.44 C ATOM 951 CD GLU A 66 5.819 -20.573 -6.752 1.00 50.51 C ATOM 952 OE1 GLU A 66 6.548 -20.133 -7.666 1.00 54.42 O ATOM 953 OE2 GLU A 66 4.796 -21.257 -6.961 1.00 61.40 O ATOM 0 H GLU A 66 6.866 -19.300 -2.201 1.00 3.31 H new ATOM 0 HA GLU A 66 9.133 -20.318 -3.475 1.00 24.41 H new ATOM 0 HB2 GLU A 66 8.265 -20.220 -5.858 1.00 61.45 H new ATOM 0 HB3 GLU A 66 7.790 -21.633 -4.936 1.00 61.45 H new ATOM 0 HG2 GLU A 66 5.566 -20.839 -4.644 1.00 60.44 H new ATOM 0 HG3 GLU A 66 5.993 -19.206 -5.115 1.00 60.44 H new ATOM 960 N LEU A 67 9.103 -18.044 -5.000 1.00 62.14 N ATOM 961 CA LEU A 67 9.355 -16.645 -5.328 1.00 2.15 C ATOM 962 C LEU A 67 8.046 -15.890 -5.534 1.00 1.42 C ATOM 963 O LEU A 67 7.935 -14.714 -5.186 1.00 73.43 O ATOM 964 CB LEU A 67 10.220 -16.542 -6.585 1.00 70.41 C ATOM 965 CG LEU A 67 9.721 -17.314 -7.807 1.00 41.14 C ATOM 966 CD1 LEU A 67 8.816 -16.437 -8.659 1.00 60.30 C ATOM 967 CD2 LEU A 67 10.894 -17.829 -8.629 1.00 3.35 C ATOM 0 H LEU A 67 9.553 -18.711 -5.626 1.00 62.14 H new ATOM 0 HA LEU A 67 9.887 -16.192 -4.491 1.00 2.15 H new ATOM 0 HB2 LEU A 67 10.309 -15.490 -6.856 1.00 70.41 H new ATOM 0 HB3 LEU A 67 11.223 -16.894 -6.342 1.00 70.41 H new ATOM 0 HG LEU A 67 9.142 -18.170 -7.460 1.00 41.14 H new ATOM 0 HD11 LEU A 67 8.470 -17.003 -9.524 1.00 60.30 H new ATOM 0 HD12 LEU A 67 7.958 -16.117 -8.068 1.00 60.30 H new ATOM 0 HD13 LEU A 67 9.371 -15.561 -8.996 1.00 60.30 H new ATOM 0 HD21 LEU A 67 10.520 -18.376 -9.494 1.00 3.35 H new ATOM 0 HD22 LEU A 67 11.500 -16.988 -8.966 1.00 3.35 H new ATOM 0 HD23 LEU A 67 11.504 -18.493 -8.016 1.00 3.35 H new ATOM 979 N ALA A 68 7.057 -16.574 -6.100 1.00 1.33 N ATOM 980 CA ALA A 68 5.754 -15.969 -6.348 1.00 44.11 C ATOM 981 C ALA A 68 5.076 -15.569 -5.042 1.00 25.41 C ATOM 982 O ALA A 68 4.512 -14.481 -4.932 1.00 61.51 O ATOM 983 CB ALA A 68 4.869 -16.926 -7.133 1.00 44.22 C ATOM 0 H ALA A 68 7.133 -17.547 -6.395 1.00 1.33 H new ATOM 0 HA ALA A 68 5.907 -15.066 -6.938 1.00 44.11 H new ATOM 0 HB1 ALA A 68 3.899 -16.461 -7.311 1.00 44.22 H new ATOM 0 HB2 ALA A 68 5.341 -17.158 -8.088 1.00 44.22 H new ATOM 0 HB3 ALA A 68 4.732 -17.845 -6.563 1.00 44.22 H new ATOM 989 N ALA A 69 5.136 -16.457 -4.054 1.00 54.14 N ATOM 990 CA ALA A 69 4.528 -16.196 -2.755 1.00 44.33 C ATOM 991 C ALA A 69 5.275 -15.093 -2.012 1.00 53.22 C ATOM 992 O ALA A 69 4.672 -14.301 -1.287 1.00 72.31 O ATOM 993 CB ALA A 69 4.497 -17.468 -1.922 1.00 30.30 C ATOM 0 H ALA A 69 5.599 -17.363 -4.129 1.00 54.14 H new ATOM 0 HA ALA A 69 3.505 -15.859 -2.921 1.00 44.33 H new ATOM 0 HB1 ALA A 69 4.040 -17.258 -0.955 1.00 30.30 H new ATOM 0 HB2 ALA A 69 3.914 -18.229 -2.441 1.00 30.30 H new ATOM 0 HB3 ALA A 69 5.514 -17.830 -1.772 1.00 30.30 H new ATOM 999 N PHE A 70 6.590 -15.047 -2.197 1.00 11.23 N ATOM 1000 CA PHE A 70 7.419 -14.041 -1.542 1.00 71.51 C ATOM 1001 C PHE A 70 7.309 -12.697 -2.256 1.00 21.22 C ATOM 1002 O PHE A 70 7.528 -11.645 -1.657 1.00 73.11 O ATOM 1003 CB PHE A 70 8.879 -14.497 -1.510 1.00 4.43 C ATOM 1004 CG PHE A 70 9.764 -13.615 -0.675 1.00 52.44 C ATOM 1005 CD1 PHE A 70 11.017 -13.239 -1.130 1.00 64.02 C ATOM 1006 CD2 PHE A 70 9.341 -13.162 0.564 1.00 5.41 C ATOM 1007 CE1 PHE A 70 11.834 -12.427 -0.365 1.00 74.21 C ATOM 1008 CE2 PHE A 70 10.153 -12.349 1.333 1.00 30.34 C ATOM 1009 CZ PHE A 70 11.401 -11.983 0.869 1.00 40.32 C ATOM 0 H PHE A 70 7.105 -15.694 -2.795 1.00 11.23 H new ATOM 0 HA PHE A 70 7.061 -13.919 -0.520 1.00 71.51 H new ATOM 0 HB2 PHE A 70 8.925 -15.515 -1.123 1.00 4.43 H new ATOM 0 HB3 PHE A 70 9.265 -14.525 -2.529 1.00 4.43 H new ATOM 0 HD1 PHE A 70 11.360 -13.584 -2.094 1.00 64.02 H new ATOM 0 HD2 PHE A 70 8.367 -13.447 0.933 1.00 5.41 H new ATOM 0 HE1 PHE A 70 12.809 -12.141 -0.732 1.00 74.21 H new ATOM 0 HE2 PHE A 70 9.811 -12.000 2.296 1.00 30.34 H new ATOM 0 HZ PHE A 70 12.037 -11.351 1.470 1.00 40.32 H new ATOM 1019 N ASN A 71 6.969 -12.742 -3.540 1.00 1.11 N ATOM 1020 CA ASN A 71 6.831 -11.528 -4.337 1.00 21.14 C ATOM 1021 C ASN A 71 5.763 -10.610 -3.749 1.00 61.44 C ATOM 1022 O ASN A 71 5.924 -9.390 -3.721 1.00 40.20 O ATOM 1023 CB ASN A 71 6.478 -11.880 -5.783 1.00 72.11 C ATOM 1024 CG ASN A 71 7.202 -11.002 -6.785 1.00 54.32 C ATOM 1025 OD1 ASN A 71 8.421 -10.842 -6.721 1.00 14.44 O ATOM 1026 ND2 ASN A 71 6.452 -10.427 -7.718 1.00 74.14 N ATOM 0 H ASN A 71 6.784 -13.605 -4.051 1.00 1.11 H new ATOM 0 HA ASN A 71 7.785 -11.002 -4.321 1.00 21.14 H new ATOM 0 HB2 ASN A 71 6.728 -12.924 -5.971 1.00 72.11 H new ATOM 0 HB3 ASN A 71 5.402 -11.779 -5.926 1.00 72.11 H new ATOM 0 HD21 ASN A 71 6.883 -9.825 -8.419 1.00 74.14 H new ATOM 0 HD22 ASN A 71 5.445 -10.588 -7.733 1.00 74.14 H new ATOM 1033 N THR A 72 4.671 -11.206 -3.280 1.00 62.42 N ATOM 1034 CA THR A 72 3.576 -10.444 -2.694 1.00 3.21 C ATOM 1035 C THR A 72 3.967 -9.878 -1.333 1.00 70.04 C ATOM 1036 O THR A 72 3.597 -8.756 -0.987 1.00 21.11 O ATOM 1037 CB THR A 72 2.312 -11.309 -2.534 1.00 11.23 C ATOM 1038 OG1 THR A 72 2.643 -12.546 -1.893 1.00 14.12 O ATOM 1039 CG2 THR A 72 1.672 -11.587 -3.885 1.00 71.33 C ATOM 0 H THR A 72 4.522 -12.215 -3.295 1.00 62.42 H new ATOM 0 HA THR A 72 3.361 -9.623 -3.378 1.00 3.21 H new ATOM 0 HB THR A 72 1.599 -10.761 -1.918 1.00 11.23 H new ATOM 0 HG1 THR A 72 1.834 -13.090 -1.794 1.00 14.12 H new ATOM 0 HG21 THR A 72 0.781 -12.200 -3.746 1.00 71.33 H new ATOM 0 HG22 THR A 72 1.395 -10.644 -4.357 1.00 71.33 H new ATOM 0 HG23 THR A 72 2.381 -12.117 -4.521 1.00 71.33 H new ATOM 1047 N VAL A 73 4.718 -10.661 -0.565 1.00 73.33 N ATOM 1048 CA VAL A 73 5.160 -10.237 0.758 1.00 64.15 C ATOM 1049 C VAL A 73 6.206 -9.132 0.659 1.00 62.20 C ATOM 1050 O VAL A 73 6.160 -8.151 1.401 1.00 52.44 O ATOM 1051 CB VAL A 73 5.748 -11.415 1.557 1.00 30.12 C ATOM 1052 CG1 VAL A 73 6.261 -10.941 2.908 1.00 11.53 C ATOM 1053 CG2 VAL A 73 4.709 -12.513 1.728 1.00 64.42 C ATOM 0 H VAL A 73 5.033 -11.592 -0.836 1.00 73.33 H new ATOM 0 HA VAL A 73 4.281 -9.857 1.279 1.00 64.15 H new ATOM 0 HB VAL A 73 6.590 -11.826 0.999 1.00 30.12 H new ATOM 0 HG11 VAL A 73 6.673 -11.787 3.458 1.00 11.53 H new ATOM 0 HG12 VAL A 73 7.039 -10.192 2.759 1.00 11.53 H new ATOM 0 HG13 VAL A 73 5.440 -10.504 3.476 1.00 11.53 H new ATOM 0 HG21 VAL A 73 5.141 -13.338 2.295 1.00 64.42 H new ATOM 0 HG22 VAL A 73 3.846 -12.117 2.264 1.00 64.42 H new ATOM 0 HG23 VAL A 73 4.394 -12.872 0.748 1.00 64.42 H new ATOM 1063 N VAL A 74 7.150 -9.298 -0.263 1.00 33.34 N ATOM 1064 CA VAL A 74 8.207 -8.314 -0.460 1.00 62.21 C ATOM 1065 C VAL A 74 7.628 -6.947 -0.805 1.00 51.12 C ATOM 1066 O VAL A 74 8.069 -5.924 -0.281 1.00 73.41 O ATOM 1067 CB VAL A 74 9.175 -8.747 -1.578 1.00 13.42 C ATOM 1068 CG1 VAL A 74 10.182 -7.644 -1.869 1.00 34.33 C ATOM 1069 CG2 VAL A 74 9.882 -10.039 -1.199 1.00 75.43 C ATOM 0 H VAL A 74 7.204 -10.105 -0.885 1.00 33.34 H new ATOM 0 HA VAL A 74 8.756 -8.246 0.479 1.00 62.21 H new ATOM 0 HB VAL A 74 8.598 -8.928 -2.485 1.00 13.42 H new ATOM 0 HG11 VAL A 74 10.857 -7.968 -2.661 1.00 34.33 H new ATOM 0 HG12 VAL A 74 9.655 -6.744 -2.187 1.00 34.33 H new ATOM 0 HG13 VAL A 74 10.756 -7.429 -0.968 1.00 34.33 H new ATOM 0 HG21 VAL A 74 10.562 -10.330 -2.000 1.00 75.43 H new ATOM 0 HG22 VAL A 74 10.448 -9.888 -0.280 1.00 75.43 H new ATOM 0 HG23 VAL A 74 9.144 -10.826 -1.045 1.00 75.43 H new ATOM 1079 N ALA A 75 6.637 -6.937 -1.690 1.00 54.44 N ATOM 1080 CA ALA A 75 5.995 -5.695 -2.104 1.00 74.10 C ATOM 1081 C ALA A 75 5.247 -5.050 -0.942 1.00 72.21 C ATOM 1082 O ALA A 75 5.128 -3.827 -0.871 1.00 1.15 O ATOM 1083 CB ALA A 75 5.047 -5.953 -3.266 1.00 50.32 C ATOM 0 H ALA A 75 6.261 -7.775 -2.134 1.00 54.44 H new ATOM 0 HA ALA A 75 6.772 -5.004 -2.430 1.00 74.10 H new ATOM 0 HB1 ALA A 75 4.575 -5.017 -3.565 1.00 50.32 H new ATOM 0 HB2 ALA A 75 5.606 -6.362 -4.108 1.00 50.32 H new ATOM 0 HB3 ALA A 75 4.280 -6.665 -2.959 1.00 50.32 H new ATOM 1089 N ARG A 76 4.744 -5.880 -0.034 1.00 72.55 N ATOM 1090 CA ARG A 76 4.006 -5.391 1.123 1.00 14.54 C ATOM 1091 C ARG A 76 4.960 -4.914 2.215 1.00 73.13 C ATOM 1092 O ARG A 76 4.647 -3.992 2.968 1.00 11.32 O ATOM 1093 CB ARG A 76 3.091 -6.487 1.673 1.00 4.13 C ATOM 1094 CG ARG A 76 1.661 -6.399 1.166 1.00 64.03 C ATOM 1095 CD ARG A 76 1.609 -6.391 -0.354 1.00 63.20 C ATOM 1096 NE ARG A 76 0.561 -7.268 -0.870 1.00 43.42 N ATOM 1097 CZ ARG A 76 0.453 -7.610 -2.149 1.00 42.32 C ATOM 1098 NH1 ARG A 76 1.325 -7.152 -3.037 1.00 51.12 N ATOM 1099 NH2 ARG A 76 -0.528 -8.412 -2.542 1.00 51.21 N ATOM 0 H ARG A 76 4.835 -6.895 -0.078 1.00 72.55 H new ATOM 0 HA ARG A 76 3.396 -4.546 0.802 1.00 14.54 H new ATOM 0 HB2 ARG A 76 3.503 -7.460 1.406 1.00 4.13 H new ATOM 0 HB3 ARG A 76 3.085 -6.431 2.762 1.00 4.13 H new ATOM 0 HG2 ARG A 76 1.086 -7.243 1.546 1.00 64.03 H new ATOM 0 HG3 ARG A 76 1.192 -5.494 1.552 1.00 64.03 H new ATOM 0 HD2 ARG A 76 1.436 -5.374 -0.706 1.00 63.20 H new ATOM 0 HD3 ARG A 76 2.574 -6.706 -0.751 1.00 63.20 H new ATOM 0 HE ARG A 76 -0.125 -7.638 -0.212 1.00 43.42 H new ATOM 0 HH11 ARG A 76 2.081 -6.536 -2.738 1.00 51.12 H new ATOM 0 HH12 ARG A 76 1.240 -7.416 -4.019 1.00 51.12 H new ATOM 0 HH21 ARG A 76 -1.200 -8.767 -1.862 1.00 51.21 H new ATOM 0 HH22 ARG A 76 -0.610 -8.674 -3.524 1.00 51.21 H new ATOM 1113 N HIS A 77 6.125 -5.549 2.294 1.00 74.51 N ATOM 1114 CA HIS A 77 7.125 -5.191 3.293 1.00 12.41 C ATOM 1115 C HIS A 77 7.902 -3.950 2.863 1.00 70.13 C ATOM 1116 O HIS A 77 8.088 -3.018 3.646 1.00 75.53 O ATOM 1117 CB HIS A 77 8.088 -6.356 3.523 1.00 52.31 C ATOM 1118 CG HIS A 77 7.513 -7.449 4.370 1.00 64.32 C ATOM 1119 ND1 HIS A 77 6.400 -7.279 5.165 1.00 20.24 N ATOM 1120 CD2 HIS A 77 7.904 -8.734 4.541 1.00 33.03 C ATOM 1121 CE1 HIS A 77 6.131 -8.411 5.791 1.00 64.42 C ATOM 1122 NE2 HIS A 77 7.029 -9.310 5.429 1.00 31.40 N ATOM 0 H HIS A 77 6.400 -6.314 1.678 1.00 74.51 H new ATOM 0 HA HIS A 77 6.607 -4.969 4.226 1.00 12.41 H new ATOM 0 HB2 HIS A 77 8.381 -6.771 2.558 1.00 52.31 H new ATOM 0 HB3 HIS A 77 8.995 -5.979 3.996 1.00 52.31 H new ATOM 0 HD1 HIS A 77 5.867 -6.414 5.256 1.00 20.24 H new ATOM 0 HD2 HIS A 77 8.747 -9.216 4.068 1.00 33.03 H new ATOM 0 HE1 HIS A 77 5.316 -8.574 6.481 1.00 64.42 H new ATOM 1130 N VAL A 78 8.355 -3.946 1.613 1.00 50.50 N ATOM 1131 CA VAL A 78 9.112 -2.820 1.078 1.00 12.13 C ATOM 1132 C VAL A 78 8.418 -1.497 1.384 1.00 45.13 C ATOM 1133 O VAL A 78 7.327 -1.226 0.883 1.00 70.34 O ATOM 1134 CB VAL A 78 9.305 -2.946 -0.445 1.00 30.14 C ATOM 1135 CG1 VAL A 78 10.246 -4.096 -0.770 1.00 73.21 C ATOM 1136 CG2 VAL A 78 7.964 -3.131 -1.138 1.00 34.12 C ATOM 0 H VAL A 78 8.211 -4.710 0.952 1.00 50.50 H new ATOM 0 HA VAL A 78 10.088 -2.836 1.563 1.00 12.13 H new ATOM 0 HB VAL A 78 9.755 -2.025 -0.815 1.00 30.14 H new ATOM 0 HG11 VAL A 78 10.371 -4.170 -1.850 1.00 73.21 H new ATOM 0 HG12 VAL A 78 11.215 -3.916 -0.304 1.00 73.21 H new ATOM 0 HG13 VAL A 78 9.828 -5.027 -0.388 1.00 73.21 H new ATOM 0 HG21 VAL A 78 8.119 -3.218 -2.213 1.00 34.12 H new ATOM 0 HG22 VAL A 78 7.484 -4.036 -0.766 1.00 34.12 H new ATOM 0 HG23 VAL A 78 7.326 -2.271 -0.932 1.00 34.12 H new ATOM 1146 N ARG A 79 9.060 -0.676 2.209 1.00 51.45 N ATOM 1147 CA ARG A 79 8.505 0.620 2.582 1.00 75.34 C ATOM 1148 C ARG A 79 9.615 1.632 2.846 1.00 65.23 C ATOM 1149 O ARG A 79 10.771 1.276 3.077 1.00 62.24 O ATOM 1150 CB ARG A 79 7.621 0.481 3.822 1.00 15.34 C ATOM 1151 CG ARG A 79 6.136 0.401 3.507 1.00 70.54 C ATOM 1152 CD ARG A 79 5.290 0.869 4.681 1.00 64.24 C ATOM 1153 NE ARG A 79 5.122 2.320 4.690 1.00 64.52 N ATOM 1154 CZ ARG A 79 4.226 2.960 3.948 1.00 15.24 C ATOM 1155 NH1 ARG A 79 3.420 2.282 3.143 1.00 32.32 N ATOM 1156 NH2 ARG A 79 4.133 4.282 4.012 1.00 40.31 N ATOM 0 H ARG A 79 9.964 -0.885 2.632 1.00 51.45 H new ATOM 0 HA ARG A 79 7.900 0.981 1.751 1.00 75.34 H new ATOM 0 HB2 ARG A 79 7.916 -0.414 4.369 1.00 15.34 H new ATOM 0 HB3 ARG A 79 7.798 1.331 4.481 1.00 15.34 H new ATOM 0 HG2 ARG A 79 5.915 1.012 2.632 1.00 70.54 H new ATOM 0 HG3 ARG A 79 5.872 -0.626 3.253 1.00 70.54 H new ATOM 0 HD2 ARG A 79 4.311 0.391 4.636 1.00 64.24 H new ATOM 0 HD3 ARG A 79 5.757 0.552 5.614 1.00 64.24 H new ATOM 0 HE ARG A 79 5.726 2.872 5.299 1.00 64.52 H new ATOM 0 HH11 ARG A 79 3.487 1.265 3.092 1.00 32.32 H new ATOM 0 HH12 ARG A 79 2.733 2.777 2.574 1.00 32.32 H new ATOM 0 HH21 ARG A 79 4.750 4.807 4.631 1.00 40.31 H new ATOM 0 HH22 ARG A 79 3.444 4.773 3.442 1.00 40.31 H new ATOM 1170 N PRO A 80 9.259 2.924 2.811 1.00 42.51 N ATOM 1171 CA PRO A 80 10.211 4.015 3.044 1.00 22.51 C ATOM 1172 C PRO A 80 10.674 4.080 4.496 1.00 75.22 C ATOM 1173 O PRO A 80 9.900 4.425 5.389 1.00 74.33 O ATOM 1174 CB PRO A 80 9.411 5.268 2.681 1.00 62.01 C ATOM 1175 CG PRO A 80 7.987 4.882 2.889 1.00 64.05 C ATOM 1176 CD PRO A 80 7.899 3.421 2.542 1.00 45.53 C ATOM 0 HA PRO A 80 11.123 3.892 2.460 1.00 22.51 H new ATOM 0 HB2 PRO A 80 9.689 6.112 3.313 1.00 62.01 H new ATOM 0 HB3 PRO A 80 9.593 5.569 1.649 1.00 62.01 H new ATOM 0 HG2 PRO A 80 7.682 5.057 3.921 1.00 64.05 H new ATOM 0 HG3 PRO A 80 7.326 5.474 2.256 1.00 64.05 H new ATOM 0 HD2 PRO A 80 7.156 2.907 3.152 1.00 45.53 H new ATOM 0 HD3 PRO A 80 7.615 3.272 1.500 1.00 45.53 H new ATOM 1184 N SER A 81 11.940 3.747 4.724 1.00 31.23 N ATOM 1185 CA SER A 81 12.504 3.764 6.069 1.00 43.53 C ATOM 1186 C SER A 81 11.643 2.951 7.030 1.00 1.02 C ATOM 1187 O SER A 81 11.433 3.344 8.177 1.00 0.51 O ATOM 1188 CB SER A 81 12.631 5.203 6.573 1.00 41.55 C ATOM 1189 OG SER A 81 12.807 6.107 5.495 1.00 3.34 O ATOM 0 H SER A 81 12.595 3.462 3.995 1.00 31.23 H new ATOM 0 HA SER A 81 13.495 3.312 6.026 1.00 43.53 H new ATOM 0 HB2 SER A 81 11.739 5.474 7.137 1.00 41.55 H new ATOM 0 HB3 SER A 81 13.476 5.279 7.257 1.00 41.55 H new ATOM 0 HG SER A 81 12.884 7.020 5.843 1.00 3.34 H new ATOM 1195 N ALA A 82 11.147 1.814 6.553 1.00 42.10 N ATOM 1196 CA ALA A 82 10.311 0.943 7.369 1.00 14.44 C ATOM 1197 C ALA A 82 11.015 -0.377 7.663 1.00 12.22 C ATOM 1198 O ALA A 82 11.234 -1.188 6.764 1.00 71.03 O ATOM 1199 CB ALA A 82 8.979 0.691 6.678 1.00 51.11 C ATOM 0 H ALA A 82 11.310 1.475 5.605 1.00 42.10 H new ATOM 0 HA ALA A 82 10.126 1.445 8.319 1.00 14.44 H new ATOM 0 HB1 ALA A 82 8.365 0.039 7.299 1.00 51.11 H new ATOM 0 HB2 ALA A 82 8.463 1.639 6.526 1.00 51.11 H new ATOM 0 HB3 ALA A 82 9.154 0.214 5.713 1.00 51.11 H new ATOM 1205 N SER A 83 11.368 -0.585 8.928 1.00 73.44 N ATOM 1206 CA SER A 83 12.052 -1.806 9.339 1.00 53.20 C ATOM 1207 C SER A 83 11.049 -2.913 9.647 1.00 75.44 C ATOM 1208 O SER A 83 9.971 -2.658 10.185 1.00 51.43 O ATOM 1209 CB SER A 83 12.925 -1.537 10.566 1.00 34.44 C ATOM 1210 OG SER A 83 12.331 -0.568 11.412 1.00 1.41 O ATOM 0 H SER A 83 11.192 0.075 9.685 1.00 73.44 H new ATOM 0 HA SER A 83 12.686 -2.134 8.515 1.00 53.20 H new ATOM 0 HB2 SER A 83 13.076 -2.464 11.119 1.00 34.44 H new ATOM 0 HB3 SER A 83 13.909 -1.192 10.248 1.00 34.44 H new ATOM 0 HG SER A 83 11.368 -0.738 11.478 1.00 1.41 H new ATOM 1216 N ILE A 84 11.411 -4.144 9.301 1.00 22.00 N ATOM 1217 CA ILE A 84 10.544 -5.291 9.541 1.00 64.12 C ATOM 1218 C ILE A 84 11.361 -6.553 9.800 1.00 11.40 C ATOM 1219 O ILE A 84 12.310 -6.866 9.081 1.00 22.24 O ATOM 1220 CB ILE A 84 9.599 -5.541 8.351 1.00 51.40 C ATOM 1221 CG1 ILE A 84 8.770 -4.288 8.059 1.00 61.13 C ATOM 1222 CG2 ILE A 84 8.692 -6.728 8.635 1.00 34.35 C ATOM 1223 CD1 ILE A 84 7.813 -4.454 6.899 1.00 43.22 C ATOM 0 H ILE A 84 12.299 -4.372 8.854 1.00 22.00 H new ATOM 0 HA ILE A 84 9.949 -5.058 10.424 1.00 64.12 H new ATOM 0 HB ILE A 84 10.200 -5.770 7.471 1.00 51.40 H new ATOM 0 HG12 ILE A 84 8.204 -4.021 8.951 1.00 61.13 H new ATOM 0 HG13 ILE A 84 9.444 -3.457 7.848 1.00 61.13 H new ATOM 0 HG21 ILE A 84 8.030 -6.892 7.785 1.00 34.35 H new ATOM 0 HG22 ILE A 84 9.299 -7.618 8.799 1.00 34.35 H new ATOM 0 HG23 ILE A 84 8.096 -6.526 9.525 1.00 34.35 H new ATOM 0 HD11 ILE A 84 7.259 -3.527 6.749 1.00 43.22 H new ATOM 0 HD12 ILE A 84 8.374 -4.691 5.995 1.00 43.22 H new ATOM 0 HD13 ILE A 84 7.115 -5.263 7.116 1.00 43.22 H new ATOM 1235 N PRO A 85 10.984 -7.296 10.851 1.00 74.13 N ATOM 1236 CA PRO A 85 11.666 -8.537 11.228 1.00 22.30 C ATOM 1237 C PRO A 85 11.426 -9.659 10.223 1.00 24.24 C ATOM 1238 O PRO A 85 10.292 -9.908 9.814 1.00 3.04 O ATOM 1239 CB PRO A 85 11.042 -8.888 12.581 1.00 73.42 C ATOM 1240 CG PRO A 85 9.700 -8.241 12.558 1.00 2.02 C ATOM 1241 CD PRO A 85 9.861 -6.983 11.751 1.00 42.41 C ATOM 0 HA PRO A 85 12.748 -8.413 11.262 1.00 22.30 H new ATOM 0 HB2 PRO A 85 10.959 -9.967 12.711 1.00 73.42 H new ATOM 0 HB3 PRO A 85 11.648 -8.513 13.406 1.00 73.42 H new ATOM 0 HG2 PRO A 85 8.957 -8.900 12.109 1.00 2.02 H new ATOM 0 HG3 PRO A 85 9.358 -8.016 13.568 1.00 2.02 H new ATOM 0 HD2 PRO A 85 8.955 -6.744 11.195 1.00 42.41 H new ATOM 0 HD3 PRO A 85 10.082 -6.124 12.385 1.00 42.41 H new ATOM 1249 N VAL A 86 12.502 -10.334 9.830 1.00 74.45 N ATOM 1250 CA VAL A 86 12.408 -11.431 8.874 1.00 74.43 C ATOM 1251 C VAL A 86 12.944 -12.728 9.470 1.00 11.34 C ATOM 1252 O VAL A 86 13.865 -12.713 10.288 1.00 75.53 O ATOM 1253 CB VAL A 86 13.181 -11.116 7.580 1.00 63.13 C ATOM 1254 CG1 VAL A 86 12.411 -10.120 6.726 1.00 21.11 C ATOM 1255 CG2 VAL A 86 14.571 -10.589 7.905 1.00 32.41 C ATOM 0 H VAL A 86 13.448 -10.140 10.159 1.00 74.45 H new ATOM 0 HA VAL A 86 11.351 -11.553 8.637 1.00 74.43 H new ATOM 0 HB VAL A 86 13.291 -12.038 7.010 1.00 63.13 H new ATOM 0 HG11 VAL A 86 12.973 -9.910 5.816 1.00 21.11 H new ATOM 0 HG12 VAL A 86 11.440 -10.540 6.464 1.00 21.11 H new ATOM 0 HG13 VAL A 86 12.268 -9.196 7.285 1.00 21.11 H new ATOM 0 HG21 VAL A 86 15.103 -10.372 6.979 1.00 32.41 H new ATOM 0 HG22 VAL A 86 14.485 -9.678 8.497 1.00 32.41 H new ATOM 0 HG23 VAL A 86 15.121 -11.340 8.472 1.00 32.41 H new ATOM 1265 N VAL A 87 12.362 -13.849 9.056 1.00 1.30 N ATOM 1266 CA VAL A 87 12.782 -15.155 9.548 1.00 23.31 C ATOM 1267 C VAL A 87 13.543 -15.928 8.476 1.00 2.53 C ATOM 1268 O VAL A 87 13.027 -16.168 7.385 1.00 73.51 O ATOM 1269 CB VAL A 87 11.577 -15.995 10.012 1.00 50.41 C ATOM 1270 CG1 VAL A 87 10.501 -16.023 8.937 1.00 31.32 C ATOM 1271 CG2 VAL A 87 12.018 -17.405 10.374 1.00 0.32 C ATOM 0 H VAL A 87 11.598 -13.879 8.381 1.00 1.30 H new ATOM 0 HA VAL A 87 13.439 -14.975 10.399 1.00 23.31 H new ATOM 0 HB VAL A 87 11.154 -15.532 10.904 1.00 50.41 H new ATOM 0 HG11 VAL A 87 9.657 -16.621 9.282 1.00 31.32 H new ATOM 0 HG12 VAL A 87 10.165 -15.007 8.732 1.00 31.32 H new ATOM 0 HG13 VAL A 87 10.908 -16.462 8.026 1.00 31.32 H new ATOM 0 HG21 VAL A 87 11.154 -17.984 10.700 1.00 0.32 H new ATOM 0 HG22 VAL A 87 12.466 -17.881 9.502 1.00 0.32 H new ATOM 0 HG23 VAL A 87 12.750 -17.361 11.180 1.00 0.32 H new ATOM 1281 N PHE A 88 14.774 -16.314 8.795 1.00 61.12 N ATOM 1282 CA PHE A 88 15.608 -17.059 7.859 1.00 74.53 C ATOM 1283 C PHE A 88 16.087 -18.368 8.480 1.00 1.13 C ATOM 1284 O PHE A 88 16.131 -18.508 9.703 1.00 41.55 O ATOM 1285 CB PHE A 88 16.809 -16.215 7.429 1.00 22.30 C ATOM 1286 CG PHE A 88 16.428 -14.909 6.793 1.00 74.43 C ATOM 1287 CD1 PHE A 88 17.196 -13.774 6.995 1.00 62.45 C ATOM 1288 CD2 PHE A 88 15.300 -14.817 5.993 1.00 12.21 C ATOM 1289 CE1 PHE A 88 16.848 -12.571 6.410 1.00 30.21 C ATOM 1290 CE2 PHE A 88 14.947 -13.616 5.406 1.00 71.52 C ATOM 1291 CZ PHE A 88 15.721 -12.492 5.616 1.00 62.05 C ATOM 0 H PHE A 88 15.216 -16.123 9.694 1.00 61.12 H new ATOM 0 HA PHE A 88 15.005 -17.293 6.981 1.00 74.53 H new ATOM 0 HB2 PHE A 88 17.434 -16.017 8.300 1.00 22.30 H new ATOM 0 HB3 PHE A 88 17.413 -16.789 6.727 1.00 22.30 H new ATOM 0 HD1 PHE A 88 18.077 -13.830 7.617 1.00 62.45 H new ATOM 0 HD2 PHE A 88 14.690 -15.693 5.826 1.00 12.21 H new ATOM 0 HE1 PHE A 88 17.457 -11.694 6.574 1.00 30.21 H new ATOM 0 HE2 PHE A 88 14.066 -13.557 4.784 1.00 71.52 H new ATOM 0 HZ PHE A 88 15.445 -11.553 5.160 1.00 62.05 H new ATOM 1301 N SER A 89 16.445 -19.324 7.629 1.00 21.23 N ATOM 1302 CA SER A 89 16.917 -20.623 8.094 1.00 63.32 C ATOM 1303 C SER A 89 18.162 -21.056 7.325 1.00 50.42 C ATOM 1304 O SER A 89 18.317 -20.739 6.145 1.00 21.31 O ATOM 1305 CB SER A 89 15.817 -21.675 7.938 1.00 1.15 C ATOM 1306 OG SER A 89 15.335 -22.099 9.202 1.00 64.53 O ATOM 0 H SER A 89 16.417 -19.224 6.614 1.00 21.23 H new ATOM 0 HA SER A 89 17.176 -20.531 9.149 1.00 63.32 H new ATOM 0 HB2 SER A 89 14.996 -21.263 7.351 1.00 1.15 H new ATOM 0 HB3 SER A 89 16.204 -22.532 7.387 1.00 1.15 H new ATOM 0 HG SER A 89 16.019 -21.935 9.885 1.00 64.53 H new ATOM 1312 N ARG A 90 19.046 -21.780 8.002 1.00 23.51 N ATOM 1313 CA ARG A 90 20.278 -22.256 7.384 1.00 2.21 C ATOM 1314 C ARG A 90 20.521 -23.725 7.716 1.00 61.22 C ATOM 1315 O ARG A 90 20.992 -24.057 8.804 1.00 42.32 O ATOM 1316 CB ARG A 90 21.466 -21.413 7.852 1.00 64.23 C ATOM 1317 CG ARG A 90 21.912 -20.373 6.837 1.00 11.43 C ATOM 1318 CD ARG A 90 23.379 -20.542 6.473 1.00 14.43 C ATOM 1319 NE ARG A 90 23.683 -19.987 5.157 1.00 4.22 N ATOM 1320 CZ ARG A 90 24.859 -20.128 4.555 1.00 52.35 C ATOM 1321 NH1 ARG A 90 25.835 -20.802 5.147 1.00 74.32 N ATOM 1322 NH2 ARG A 90 25.060 -19.594 3.357 1.00 53.34 N ATOM 0 H ARG A 90 18.933 -22.050 8.979 1.00 23.51 H new ATOM 0 HA ARG A 90 20.174 -22.158 6.303 1.00 2.21 H new ATOM 0 HB2 ARG A 90 21.200 -20.910 8.782 1.00 64.23 H new ATOM 0 HB3 ARG A 90 22.304 -22.073 8.075 1.00 64.23 H new ATOM 0 HG2 ARG A 90 21.301 -20.455 5.938 1.00 11.43 H new ATOM 0 HG3 ARG A 90 21.749 -19.374 7.242 1.00 11.43 H new ATOM 0 HD2 ARG A 90 23.998 -20.052 7.225 1.00 14.43 H new ATOM 0 HD3 ARG A 90 23.637 -21.601 6.488 1.00 14.43 H new ATOM 0 HE ARG A 90 22.953 -19.463 4.674 1.00 4.22 H new ATOM 0 HH11 ARG A 90 25.684 -21.214 6.068 1.00 74.32 H new ATOM 0 HH12 ARG A 90 26.737 -20.908 4.682 1.00 74.32 H new ATOM 0 HH21 ARG A 90 24.312 -19.075 2.898 1.00 53.34 H new ATOM 0 HH22 ARG A 90 25.963 -19.703 2.895 1.00 53.34 H new ATOM 1336 N ASP A 91 20.196 -24.601 6.771 1.00 11.03 N ATOM 1337 CA ASP A 91 20.379 -26.035 6.963 1.00 70.04 C ATOM 1338 C ASP A 91 19.545 -26.537 8.137 1.00 25.43 C ATOM 1339 O ASP A 91 19.924 -27.489 8.818 1.00 23.43 O ATOM 1340 CB ASP A 91 21.856 -26.356 7.195 1.00 3.43 C ATOM 1341 CG ASP A 91 22.777 -25.462 6.388 1.00 51.21 C ATOM 1342 OD1 ASP A 91 23.013 -25.770 5.201 1.00 70.32 O ATOM 1343 OD2 ASP A 91 23.261 -24.453 6.943 1.00 74.22 O ATOM 0 H ASP A 91 19.805 -24.343 5.865 1.00 11.03 H new ATOM 0 HA ASP A 91 20.043 -26.543 6.059 1.00 70.04 H new ATOM 0 HB2 ASP A 91 22.086 -26.247 8.255 1.00 3.43 H new ATOM 0 HB3 ASP A 91 22.044 -27.397 6.933 1.00 3.43 H new ATOM 1348 N GLY A 92 18.408 -25.889 8.370 1.00 71.35 N ATOM 1349 CA GLY A 92 17.539 -26.284 9.463 1.00 3.32 C ATOM 1350 C GLY A 92 17.690 -25.387 10.676 1.00 50.33 C ATOM 1351 O GLY A 92 16.893 -25.457 11.612 1.00 45.22 O ATOM 0 H GLY A 92 18.073 -25.097 7.821 1.00 71.35 H new ATOM 0 HA2 GLY A 92 16.503 -26.262 9.125 1.00 3.32 H new ATOM 0 HA3 GLY A 92 17.761 -27.313 9.746 1.00 3.32 H new ATOM 1355 N VAL A 93 18.716 -24.541 10.661 1.00 72.41 N ATOM 1356 CA VAL A 93 18.969 -23.627 11.768 1.00 40.01 C ATOM 1357 C VAL A 93 17.859 -22.589 11.888 1.00 0.10 C ATOM 1358 O VAL A 93 17.311 -22.131 10.885 1.00 2.12 O ATOM 1359 CB VAL A 93 20.318 -22.903 11.600 1.00 1.05 C ATOM 1360 CG1 VAL A 93 20.493 -21.844 12.678 1.00 24.02 C ATOM 1361 CG2 VAL A 93 21.465 -23.901 11.631 1.00 65.42 C ATOM 0 H VAL A 93 19.385 -24.470 9.894 1.00 72.41 H new ATOM 0 HA VAL A 93 18.999 -24.229 12.676 1.00 40.01 H new ATOM 0 HB VAL A 93 20.326 -22.405 10.630 1.00 1.05 H new ATOM 0 HG11 VAL A 93 21.452 -21.343 12.544 1.00 24.02 H new ATOM 0 HG12 VAL A 93 19.688 -21.113 12.604 1.00 24.02 H new ATOM 0 HG13 VAL A 93 20.465 -22.316 13.660 1.00 24.02 H new ATOM 0 HG21 VAL A 93 22.411 -23.372 11.511 1.00 65.42 H new ATOM 0 HG22 VAL A 93 21.463 -24.428 12.585 1.00 65.42 H new ATOM 0 HG23 VAL A 93 21.345 -24.619 10.819 1.00 65.42 H new ATOM 1371 N VAL A 94 17.532 -22.221 13.123 1.00 53.43 N ATOM 1372 CA VAL A 94 16.488 -21.235 13.375 1.00 54.31 C ATOM 1373 C VAL A 94 17.079 -19.929 13.894 1.00 12.21 C ATOM 1374 O VAL A 94 17.620 -19.877 14.998 1.00 43.41 O ATOM 1375 CB VAL A 94 15.455 -21.758 14.391 1.00 3.12 C ATOM 1376 CG1 VAL A 94 14.424 -20.685 14.705 1.00 33.11 C ATOM 1377 CG2 VAL A 94 14.783 -23.018 13.867 1.00 45.02 C ATOM 0 H VAL A 94 17.975 -22.591 13.964 1.00 53.43 H new ATOM 0 HA VAL A 94 15.990 -21.052 12.423 1.00 54.31 H new ATOM 0 HB VAL A 94 15.975 -22.009 15.315 1.00 3.12 H new ATOM 0 HG11 VAL A 94 13.703 -21.073 15.424 1.00 33.11 H new ATOM 0 HG12 VAL A 94 14.924 -19.813 15.126 1.00 33.11 H new ATOM 0 HG13 VAL A 94 13.906 -20.399 13.790 1.00 33.11 H new ATOM 0 HG21 VAL A 94 14.056 -23.374 14.598 1.00 45.02 H new ATOM 0 HG22 VAL A 94 14.275 -22.796 12.928 1.00 45.02 H new ATOM 0 HG23 VAL A 94 15.535 -23.789 13.699 1.00 45.02 H new ATOM 1387 N MET A 95 16.971 -18.876 13.090 1.00 14.14 N ATOM 1388 CA MET A 95 17.493 -17.568 13.470 1.00 63.52 C ATOM 1389 C MET A 95 16.557 -16.455 13.013 1.00 55.13 C ATOM 1390 O MET A 95 15.801 -16.621 12.055 1.00 11.42 O ATOM 1391 CB MET A 95 18.885 -17.358 12.870 1.00 21.33 C ATOM 1392 CG MET A 95 19.679 -16.254 13.550 1.00 61.52 C ATOM 1393 SD MET A 95 20.173 -16.687 15.229 1.00 11.11 S ATOM 1394 CE MET A 95 21.459 -17.890 14.904 1.00 23.35 C ATOM 0 H MET A 95 16.527 -18.903 12.172 1.00 14.14 H new ATOM 0 HA MET A 95 17.564 -17.535 14.557 1.00 63.52 H new ATOM 0 HB2 MET A 95 19.445 -18.291 12.936 1.00 21.33 H new ATOM 0 HB3 MET A 95 18.783 -17.122 11.811 1.00 21.33 H new ATOM 0 HG2 MET A 95 20.568 -16.034 12.959 1.00 61.52 H new ATOM 0 HG3 MET A 95 19.080 -15.344 13.575 1.00 61.52 H new ATOM 0 HE1 MET A 95 22.041 -18.054 15.811 1.00 23.35 H new ATOM 0 HE2 MET A 95 21.006 -18.830 14.588 1.00 23.35 H new ATOM 0 HE3 MET A 95 22.113 -17.519 14.115 1.00 23.35 H new ATOM 1404 N SER A 96 16.611 -15.321 13.704 1.00 42.44 N ATOM 1405 CA SER A 96 15.764 -14.181 13.371 1.00 63.24 C ATOM 1406 C SER A 96 16.534 -12.872 13.514 1.00 0.24 C ATOM 1407 O SER A 96 17.177 -12.626 14.535 1.00 54.34 O ATOM 1408 CB SER A 96 14.526 -14.159 14.269 1.00 21.30 C ATOM 1409 OG SER A 96 14.888 -14.021 15.632 1.00 15.22 O ATOM 0 H SER A 96 17.232 -15.167 14.498 1.00 42.44 H new ATOM 0 HA SER A 96 15.449 -14.285 12.333 1.00 63.24 H new ATOM 0 HB2 SER A 96 13.875 -13.335 13.977 1.00 21.30 H new ATOM 0 HB3 SER A 96 13.957 -15.078 14.132 1.00 21.30 H new ATOM 0 HG SER A 96 15.710 -13.491 15.700 1.00 15.22 H new ATOM 1415 N ALA A 97 16.464 -12.035 12.484 1.00 34.22 N ATOM 1416 CA ALA A 97 17.151 -10.750 12.495 1.00 24.22 C ATOM 1417 C ALA A 97 16.306 -9.669 11.831 1.00 15.03 C ATOM 1418 O ALA A 97 15.662 -9.909 10.809 1.00 61.10 O ATOM 1419 CB ALA A 97 18.501 -10.868 11.802 1.00 55.34 C ATOM 0 H ALA A 97 15.938 -12.224 11.631 1.00 34.22 H new ATOM 0 HA ALA A 97 17.312 -10.461 13.534 1.00 24.22 H new ATOM 0 HB1 ALA A 97 19.004 -9.901 11.817 1.00 55.34 H new ATOM 0 HB2 ALA A 97 19.114 -11.604 12.322 1.00 55.34 H new ATOM 0 HB3 ALA A 97 18.353 -11.184 10.769 1.00 55.34 H new ATOM 1425 N THR A 98 16.310 -8.476 12.419 1.00 34.51 N ATOM 1426 CA THR A 98 15.541 -7.359 11.886 1.00 42.23 C ATOM 1427 C THR A 98 16.312 -6.637 10.786 1.00 12.13 C ATOM 1428 O THR A 98 17.419 -6.148 11.010 1.00 5.04 O ATOM 1429 CB THR A 98 15.178 -6.349 12.991 1.00 51.25 C ATOM 1430 OG1 THR A 98 14.487 -7.014 14.054 1.00 5.43 O ATOM 1431 CG2 THR A 98 14.309 -5.230 12.436 1.00 10.13 C ATOM 0 H THR A 98 16.838 -8.259 13.265 1.00 34.51 H new ATOM 0 HA THR A 98 14.624 -7.776 11.470 1.00 42.23 H new ATOM 0 HB THR A 98 16.101 -5.915 13.374 1.00 51.25 H new ATOM 0 HG1 THR A 98 14.261 -6.366 14.753 1.00 5.43 H new ATOM 0 HG21 THR A 98 14.065 -4.529 13.234 1.00 10.13 H new ATOM 0 HG22 THR A 98 14.849 -4.708 11.646 1.00 10.13 H new ATOM 0 HG23 THR A 98 13.389 -5.651 12.029 1.00 10.13 H new ATOM 1439 N ILE A 99 15.719 -6.573 9.599 1.00 51.11 N ATOM 1440 CA ILE A 99 16.350 -5.908 8.465 1.00 31.54 C ATOM 1441 C ILE A 99 15.557 -4.678 8.038 1.00 34.21 C ATOM 1442 O ILE A 99 14.356 -4.760 7.778 1.00 42.34 O ATOM 1443 CB ILE A 99 16.489 -6.859 7.262 1.00 61.13 C ATOM 1444 CG1 ILE A 99 15.112 -7.349 6.809 1.00 21.22 C ATOM 1445 CG2 ILE A 99 17.386 -8.036 7.617 1.00 13.30 C ATOM 1446 CD1 ILE A 99 14.613 -6.672 5.552 1.00 72.20 C ATOM 0 H ILE A 99 14.803 -6.973 9.397 1.00 51.11 H new ATOM 0 HA ILE A 99 17.343 -5.601 8.792 1.00 31.54 H new ATOM 0 HB ILE A 99 16.949 -6.313 6.438 1.00 61.13 H new ATOM 0 HG12 ILE A 99 15.156 -8.425 6.640 1.00 21.22 H new ATOM 0 HG13 ILE A 99 14.394 -7.182 7.612 1.00 21.22 H new ATOM 0 HG21 ILE A 99 17.474 -8.699 6.756 1.00 13.30 H new ATOM 0 HG22 ILE A 99 18.374 -7.669 7.895 1.00 13.30 H new ATOM 0 HG23 ILE A 99 16.953 -8.584 8.454 1.00 13.30 H new ATOM 0 HD11 ILE A 99 13.632 -7.069 5.290 1.00 72.20 H new ATOM 0 HD12 ILE A 99 14.536 -5.598 5.723 1.00 72.20 H new ATOM 0 HD13 ILE A 99 15.310 -6.861 4.736 1.00 72.20 H new ATOM 1458 N VAL A 100 16.236 -3.538 7.966 1.00 23.04 N ATOM 1459 CA VAL A 100 15.596 -2.290 7.568 1.00 62.24 C ATOM 1460 C VAL A 100 15.555 -2.155 6.050 1.00 53.43 C ATOM 1461 O VAL A 100 16.587 -2.212 5.382 1.00 63.21 O ATOM 1462 CB VAL A 100 16.326 -1.070 8.161 1.00 32.53 C ATOM 1463 CG1 VAL A 100 15.541 0.204 7.892 1.00 11.42 C ATOM 1464 CG2 VAL A 100 16.554 -1.261 9.653 1.00 1.11 C ATOM 0 H VAL A 100 17.230 -3.453 8.178 1.00 23.04 H new ATOM 0 HA VAL A 100 14.578 -2.318 7.956 1.00 62.24 H new ATOM 0 HB VAL A 100 17.298 -0.978 7.677 1.00 32.53 H new ATOM 0 HG11 VAL A 100 16.072 1.055 8.318 1.00 11.42 H new ATOM 0 HG12 VAL A 100 15.433 0.345 6.817 1.00 11.42 H new ATOM 0 HG13 VAL A 100 14.554 0.126 8.348 1.00 11.42 H new ATOM 0 HG21 VAL A 100 17.071 -0.390 10.056 1.00 1.11 H new ATOM 0 HG22 VAL A 100 15.594 -1.378 10.156 1.00 1.11 H new ATOM 0 HG23 VAL A 100 17.161 -2.151 9.817 1.00 1.11 H new ATOM 1474 N VAL A 101 14.354 -1.973 5.510 1.00 75.31 N ATOM 1475 CA VAL A 101 14.177 -1.828 4.070 1.00 54.40 C ATOM 1476 C VAL A 101 14.024 -0.361 3.681 1.00 62.53 C ATOM 1477 O VAL A 101 13.307 0.394 4.335 1.00 53.12 O ATOM 1478 CB VAL A 101 12.946 -2.610 3.574 1.00 40.33 C ATOM 1479 CG1 VAL A 101 12.928 -2.668 2.054 1.00 75.02 C ATOM 1480 CG2 VAL A 101 12.929 -4.009 4.169 1.00 21.44 C ATOM 0 H VAL A 101 13.489 -1.922 6.048 1.00 75.31 H new ATOM 0 HA VAL A 101 15.071 -2.236 3.598 1.00 54.40 H new ATOM 0 HB VAL A 101 12.048 -2.088 3.905 1.00 40.33 H new ATOM 0 HG11 VAL A 101 12.052 -3.224 1.721 1.00 75.02 H new ATOM 0 HG12 VAL A 101 12.890 -1.656 1.652 1.00 75.02 H new ATOM 0 HG13 VAL A 101 13.830 -3.166 1.698 1.00 75.02 H new ATOM 0 HG21 VAL A 101 12.053 -4.547 3.808 1.00 21.44 H new ATOM 0 HG22 VAL A 101 13.831 -4.543 3.870 1.00 21.44 H new ATOM 0 HG23 VAL A 101 12.891 -3.942 5.256 1.00 21.44 H new ATOM 1490 N GLY A 102 14.705 0.035 2.609 1.00 33.32 N ATOM 1491 CA GLY A 102 14.631 1.409 2.150 1.00 3.53 C ATOM 1492 C GLY A 102 14.308 1.511 0.673 1.00 42.11 C ATOM 1493 O GLY A 102 15.129 1.158 -0.174 1.00 14.44 O ATOM 0 H GLY A 102 15.306 -0.572 2.051 1.00 33.32 H new ATOM 0 HA2 GLY A 102 13.870 1.939 2.722 1.00 3.53 H new ATOM 0 HA3 GLY A 102 15.581 1.906 2.346 1.00 3.53 H new ATOM 1497 N GLU A 103 13.109 1.993 0.363 1.00 53.13 N ATOM 1498 CA GLU A 103 12.679 2.137 -1.023 1.00 41.03 C ATOM 1499 C GLU A 103 13.357 3.336 -1.681 1.00 75.22 C ATOM 1500 O GLU A 103 13.581 3.349 -2.892 1.00 51.23 O ATOM 1501 CB GLU A 103 11.159 2.293 -1.096 1.00 13.43 C ATOM 1502 CG GLU A 103 10.405 0.980 -0.967 1.00 11.54 C ATOM 1503 CD GLU A 103 11.250 -0.120 -0.355 1.00 44.13 C ATOM 1504 OE1 GLU A 103 11.401 -0.132 0.884 1.00 4.24 O ATOM 1505 OE2 GLU A 103 11.761 -0.969 -1.116 1.00 11.52 O ATOM 0 H GLU A 103 12.418 2.290 1.052 1.00 53.13 H new ATOM 0 HA GLU A 103 12.970 1.235 -1.562 1.00 41.03 H new ATOM 0 HB2 GLU A 103 10.833 2.968 -0.305 1.00 13.43 H new ATOM 0 HB3 GLU A 103 10.896 2.762 -2.044 1.00 13.43 H new ATOM 0 HG2 GLU A 103 9.517 1.134 -0.354 1.00 11.54 H new ATOM 0 HG3 GLU A 103 10.062 0.664 -1.952 1.00 11.54 H new