USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1069 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 SER OG : rot -179:sc= -0.328 USER MOD Set 1.2: A 108 ASN : amide:sc= -0.354 X(o=-0.68,f=-0.89) USER MOD Set 2.1: A 67 LYS NZ :NH3+ -107:sc= 0.796 (180deg=0) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0.71 USER MOD Set 3.1: A 32 MET CE :methyl -160:sc= -5.61! (180deg=-6.32!) USER MOD Set 3.2: A 114 ASN : amide:sc= -0.256 X(o=-5.9,f=-5.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= -0.475 (180deg=-0.599) USER MOD Single : A 2 LYS NZ :NH3+ -115:sc= 0.944 (180deg=-0.237) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.4!) USER MOD Single : A 14 SER OG : rot 28:sc= 0.296 USER MOD Single : A 16 ASN : amide:sc= -0.0547 X(o=-0.055,f=-0.055) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 139:sc= 0.705 USER MOD Single : A 22 GLN : amide:sc= -0.997 K(o=-1,f=-5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.287 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.0106 (180deg=-0.233) USER MOD Single : A 27 MET CE :methyl -137:sc= -2.49! (180deg=-3.85!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0585) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc=-0.00234 K(o=-0.0023,f=-1.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 47 LYS NZ :NH3+ -137:sc= 0.465 (180deg=-0.653) USER MOD Single : A 58 MET CE :methyl -141:sc= -0.0505 (180deg=-0.875) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 52:sc= 0.359 USER MOD Single : A 71 THR OG1 : rot 177:sc= 1.24 USER MOD Single : A 73 HIS : no HE2:sc= -1.73 K(o=-1.7,f=-3.8!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0006 USER MOD Single : A 84 THR OG1 : rot -120:sc= -0.536 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.386 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot 45:sc= 0.803 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -2.2 K(o=-2.2,f=-7.2!) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= -0.0314 (180deg=-0.214) USER MOD Single : A 95 THR OG1 : rot -139:sc= -1.05 USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00105 USER MOD Single : A 99 HIS : no HD1:sc= -0.0968 X(o=-0.097,f=-0.26) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0.544 K(o=0.54,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -147:sc= -0.0753 (180deg=-0.649) USER MOD Single : A 127 MET CE :methyl 165:sc= -0.612 (180deg=-0.804) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00371 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.523 1.374 2.134 1.00 72.11 N ATOM 2 CA MET A 1 2.621 1.471 0.682 1.00 33.31 C ATOM 3 C MET A 1 2.734 0.086 0.051 1.00 4.44 C ATOM 4 O MET A 1 2.186 -0.165 -1.022 1.00 31.33 O ATOM 5 CB MET A 1 3.827 2.325 0.287 1.00 72.34 C ATOM 6 CG MET A 1 5.152 1.776 0.791 1.00 74.22 C ATOM 7 SD MET A 1 6.528 2.902 0.495 1.00 50.42 S ATOM 8 CE MET A 1 7.358 2.075 -0.860 1.00 32.35 C ATOM 0 H1 MET A 1 2.549 2.328 2.548 1.00 72.11 H new ATOM 0 H2 MET A 1 1.629 0.909 2.391 1.00 72.11 H new ATOM 0 H3 MET A 1 3.321 0.816 2.499 1.00 72.11 H new ATOM 0 HA MET A 1 1.712 1.946 0.312 1.00 33.31 H new ATOM 0 HB2 MET A 1 3.866 2.404 -0.799 1.00 72.34 H new ATOM 0 HB3 MET A 1 3.690 3.334 0.675 1.00 72.34 H new ATOM 0 HG2 MET A 1 5.075 1.576 1.860 1.00 74.22 H new ATOM 0 HG3 MET A 1 5.356 0.823 0.302 1.00 74.22 H new ATOM 0 HE1 MET A 1 8.234 2.652 -1.157 1.00 32.35 H new ATOM 0 HE2 MET A 1 7.670 1.080 -0.543 1.00 32.35 H new ATOM 0 HE3 MET A 1 6.676 1.989 -1.706 1.00 32.35 H new ATOM 18 N LYS A 2 3.450 -0.808 0.724 1.00 30.42 N ATOM 19 CA LYS A 2 3.635 -2.168 0.231 1.00 44.11 C ATOM 20 C LYS A 2 3.799 -3.149 1.388 1.00 52.25 C ATOM 21 O LYS A 2 3.851 -2.750 2.551 1.00 4.21 O ATOM 22 CB LYS A 2 4.858 -2.237 -0.687 1.00 31.10 C ATOM 23 CG LYS A 2 4.555 -1.879 -2.132 1.00 11.04 C ATOM 24 CD LYS A 2 3.569 -2.854 -2.753 1.00 31.12 C ATOM 25 CE LYS A 2 3.524 -2.713 -4.267 1.00 12.25 C ATOM 26 NZ LYS A 2 4.757 -3.244 -4.910 1.00 43.31 N ATOM 0 H LYS A 2 3.912 -0.615 1.613 1.00 30.42 H new ATOM 0 HA LYS A 2 2.746 -2.447 -0.335 1.00 44.11 H new ATOM 0 HB2 LYS A 2 5.625 -1.562 -0.307 1.00 31.10 H new ATOM 0 HB3 LYS A 2 5.273 -3.244 -0.650 1.00 31.10 H new ATOM 0 HG2 LYS A 2 4.148 -0.869 -2.180 1.00 11.04 H new ATOM 0 HG3 LYS A 2 5.480 -1.878 -2.709 1.00 11.04 H new ATOM 0 HD2 LYS A 2 3.849 -3.874 -2.490 1.00 31.12 H new ATOM 0 HD3 LYS A 2 2.575 -2.680 -2.341 1.00 31.12 H new ATOM 0 HE2 LYS A 2 2.655 -3.243 -4.655 1.00 12.25 H new ATOM 0 HE3 LYS A 2 3.401 -1.663 -4.530 1.00 12.25 H new ATOM 0 HZ1 LYS A 2 5.272 -2.466 -5.369 1.00 43.31 H new ATOM 0 HZ2 LYS A 2 5.364 -3.682 -4.188 1.00 43.31 H new ATOM 0 HZ3 LYS A 2 4.498 -3.956 -5.623 1.00 43.31 H new ATOM 40 N LYS A 3 3.880 -4.434 1.060 1.00 20.03 N ATOM 41 CA LYS A 3 4.041 -5.473 2.071 1.00 55.31 C ATOM 42 C LYS A 3 5.477 -5.518 2.581 1.00 64.31 C ATOM 43 O LYS A 3 6.293 -6.305 2.099 1.00 11.15 O ATOM 44 CB LYS A 3 3.648 -6.836 1.497 1.00 22.23 C ATOM 45 CG LYS A 3 3.623 -7.947 2.533 1.00 73.23 C ATOM 46 CD LYS A 3 2.338 -7.925 3.343 1.00 14.52 C ATOM 47 CE LYS A 3 1.242 -8.739 2.673 1.00 14.21 C ATOM 48 NZ LYS A 3 0.017 -8.821 3.517 1.00 41.24 N ATOM 0 H LYS A 3 3.837 -4.781 0.102 1.00 20.03 H new ATOM 0 HA LYS A 3 3.385 -5.236 2.908 1.00 55.31 H new ATOM 0 HB2 LYS A 3 2.663 -6.757 1.037 1.00 22.23 H new ATOM 0 HB3 LYS A 3 4.349 -7.104 0.706 1.00 22.23 H new ATOM 0 HG2 LYS A 3 3.724 -8.912 2.036 1.00 73.23 H new ATOM 0 HG3 LYS A 3 4.477 -7.842 3.202 1.00 73.23 H new ATOM 0 HD2 LYS A 3 2.529 -8.321 4.340 1.00 14.52 H new ATOM 0 HD3 LYS A 3 2.003 -6.895 3.468 1.00 14.52 H new ATOM 0 HE2 LYS A 3 0.992 -8.289 1.712 1.00 14.21 H new ATOM 0 HE3 LYS A 3 1.610 -9.744 2.468 1.00 14.21 H new ATOM 0 HZ1 LYS A 3 -0.706 -9.384 3.025 1.00 41.24 H new ATOM 0 HZ2 LYS A 3 0.250 -9.273 4.424 1.00 41.24 H new ATOM 0 HZ3 LYS A 3 -0.349 -7.863 3.691 1.00 41.24 H new ATOM 62 N VAL A 4 5.781 -4.671 3.559 1.00 14.11 N ATOM 63 CA VAL A 4 7.118 -4.617 4.136 1.00 4.52 C ATOM 64 C VAL A 4 7.433 -5.889 4.915 1.00 11.44 C ATOM 65 O VAL A 4 6.682 -6.283 5.808 1.00 22.12 O ATOM 66 CB VAL A 4 7.278 -3.403 5.071 1.00 54.42 C ATOM 67 CG1 VAL A 4 6.257 -3.458 6.197 1.00 31.23 C ATOM 68 CG2 VAL A 4 8.693 -3.340 5.625 1.00 12.42 C ATOM 0 H VAL A 4 5.118 -4.012 3.968 1.00 14.11 H new ATOM 0 HA VAL A 4 7.817 -4.521 3.305 1.00 4.52 H new ATOM 0 HB VAL A 4 7.098 -2.496 4.494 1.00 54.42 H new ATOM 0 HG11 VAL A 4 6.385 -2.593 6.847 1.00 31.23 H new ATOM 0 HG12 VAL A 4 5.251 -3.450 5.777 1.00 31.23 H new ATOM 0 HG13 VAL A 4 6.402 -4.371 6.775 1.00 31.23 H new ATOM 0 HG21 VAL A 4 8.788 -2.476 6.283 1.00 12.42 H new ATOM 0 HG22 VAL A 4 8.905 -4.250 6.187 1.00 12.42 H new ATOM 0 HG23 VAL A 4 9.402 -3.249 4.802 1.00 12.42 H new ATOM 78 N ILE A 5 8.547 -6.526 4.572 1.00 41.10 N ATOM 79 CA ILE A 5 8.962 -7.753 5.241 1.00 53.13 C ATOM 80 C ILE A 5 9.828 -7.450 6.458 1.00 2.42 C ATOM 81 O ILE A 5 10.594 -6.487 6.463 1.00 0.23 O ATOM 82 CB ILE A 5 9.741 -8.678 4.287 1.00 4.33 C ATOM 83 CG1 ILE A 5 9.200 -8.551 2.862 1.00 15.21 C ATOM 84 CG2 ILE A 5 9.660 -10.120 4.764 1.00 31.13 C ATOM 85 CD1 ILE A 5 7.719 -8.840 2.750 1.00 20.44 C ATOM 0 H ILE A 5 9.179 -6.213 3.835 1.00 41.10 H new ATOM 0 HA ILE A 5 8.052 -8.260 5.563 1.00 53.13 H new ATOM 0 HB ILE A 5 10.788 -8.375 4.286 1.00 4.33 H new ATOM 0 HG12 ILE A 5 9.394 -7.542 2.497 1.00 15.21 H new ATOM 0 HG13 ILE A 5 9.746 -9.235 2.212 1.00 15.21 H new ATOM 0 HG21 ILE A 5 10.215 -10.761 4.080 1.00 31.13 H new ATOM 0 HG22 ILE A 5 10.089 -10.197 5.763 1.00 31.13 H new ATOM 0 HG23 ILE A 5 8.617 -10.436 4.792 1.00 31.13 H new ATOM 0 HD11 ILE A 5 7.404 -8.731 1.712 1.00 20.44 H new ATOM 0 HD12 ILE A 5 7.521 -9.858 3.084 1.00 20.44 H new ATOM 0 HD13 ILE A 5 7.163 -8.139 3.373 1.00 20.44 H new ATOM 97 N ASN A 6 9.703 -8.280 7.489 1.00 54.53 N ATOM 98 CA ASN A 6 10.475 -8.101 8.713 1.00 64.05 C ATOM 99 C ASN A 6 11.113 -9.416 9.150 1.00 34.43 C ATOM 100 O ASN A 6 10.416 -10.382 9.463 1.00 63.31 O ATOM 101 CB ASN A 6 9.582 -7.557 9.830 1.00 64.34 C ATOM 102 CG ASN A 6 9.668 -6.049 9.956 1.00 41.53 C ATOM 103 OD1 ASN A 6 10.285 -5.379 9.127 1.00 61.33 O ATOM 104 ND2 ASN A 6 9.048 -5.506 10.997 1.00 52.21 N ATOM 0 H ASN A 6 9.074 -9.083 7.501 1.00 54.53 H new ATOM 0 HA ASN A 6 11.269 -7.382 8.511 1.00 64.05 H new ATOM 0 HB2 ASN A 6 8.548 -7.844 9.638 1.00 64.34 H new ATOM 0 HB3 ASN A 6 9.869 -8.015 10.777 1.00 64.34 H new ATOM 0 HD21 ASN A 6 9.071 -4.496 11.134 1.00 52.21 H new ATOM 0 HD22 ASN A 6 8.548 -6.099 11.659 1.00 52.21 H new ATOM 111 N VAL A 7 12.441 -9.446 9.171 1.00 64.14 N ATOM 112 CA VAL A 7 13.173 -10.642 9.572 1.00 43.44 C ATOM 113 C VAL A 7 14.256 -10.307 10.592 1.00 53.02 C ATOM 114 O VAL A 7 14.905 -9.265 10.505 1.00 11.41 O ATOM 115 CB VAL A 7 13.823 -11.335 8.359 1.00 33.13 C ATOM 116 CG1 VAL A 7 12.773 -12.065 7.536 1.00 32.51 C ATOM 117 CG2 VAL A 7 14.572 -10.323 7.506 1.00 64.42 C ATOM 0 H VAL A 7 13.033 -8.656 8.915 1.00 64.14 H new ATOM 0 HA VAL A 7 12.449 -11.320 10.024 1.00 43.44 H new ATOM 0 HB VAL A 7 14.540 -12.070 8.723 1.00 33.13 H new ATOM 0 HG11 VAL A 7 13.250 -12.548 6.684 1.00 32.51 H new ATOM 0 HG12 VAL A 7 12.285 -12.819 8.154 1.00 32.51 H new ATOM 0 HG13 VAL A 7 12.030 -11.352 7.179 1.00 32.51 H new ATOM 0 HG21 VAL A 7 15.025 -10.830 6.654 1.00 64.42 H new ATOM 0 HG22 VAL A 7 13.877 -9.563 7.149 1.00 64.42 H new ATOM 0 HG23 VAL A 7 15.352 -9.850 8.103 1.00 64.42 H new ATOM 127 N VAL A 8 14.446 -11.199 11.559 1.00 14.10 N ATOM 128 CA VAL A 8 15.451 -11.000 12.596 1.00 11.41 C ATOM 129 C VAL A 8 16.368 -12.212 12.713 1.00 40.24 C ATOM 130 O VAL A 8 15.937 -13.350 12.531 1.00 15.45 O ATOM 131 CB VAL A 8 14.799 -10.729 13.965 1.00 20.31 C ATOM 132 CG1 VAL A 8 14.135 -11.990 14.499 1.00 45.31 C ATOM 133 CG2 VAL A 8 15.830 -10.201 14.951 1.00 64.51 C ATOM 0 H VAL A 8 13.917 -12.067 11.646 1.00 14.10 H new ATOM 0 HA VAL A 8 16.039 -10.130 12.304 1.00 11.41 H new ATOM 0 HB VAL A 8 14.029 -9.968 13.837 1.00 20.31 H new ATOM 0 HG11 VAL A 8 13.680 -11.780 15.467 1.00 45.31 H new ATOM 0 HG12 VAL A 8 13.366 -12.320 13.800 1.00 45.31 H new ATOM 0 HG13 VAL A 8 14.883 -12.775 14.613 1.00 45.31 H new ATOM 0 HG21 VAL A 8 15.352 -10.015 15.913 1.00 64.51 H new ATOM 0 HG22 VAL A 8 16.624 -10.937 15.077 1.00 64.51 H new ATOM 0 HG23 VAL A 8 16.254 -9.272 14.571 1.00 64.51 H new ATOM 143 N GLY A 9 17.638 -11.960 13.017 1.00 14.30 N ATOM 144 CA GLY A 9 18.597 -13.040 13.153 1.00 35.41 C ATOM 145 C GLY A 9 19.414 -12.934 14.425 1.00 15.25 C ATOM 146 O GLY A 9 19.318 -11.945 15.152 1.00 54.15 O ATOM 0 H GLY A 9 18.019 -11.027 13.171 1.00 14.30 H new ATOM 0 HA2 GLY A 9 18.069 -13.994 13.142 1.00 35.41 H new ATOM 0 HA3 GLY A 9 19.267 -13.037 12.293 1.00 35.41 H new ATOM 150 N ALA A 10 20.218 -13.956 14.697 1.00 5.23 N ATOM 151 CA ALA A 10 21.056 -13.973 15.890 1.00 15.55 C ATOM 152 C ALA A 10 22.477 -14.411 15.557 1.00 25.15 C ATOM 153 O ALA A 10 22.684 -15.315 14.747 1.00 4.11 O ATOM 154 CB ALA A 10 20.452 -14.888 16.946 1.00 42.24 C ATOM 0 H ALA A 10 20.307 -14.784 14.107 1.00 5.23 H new ATOM 0 HA ALA A 10 21.101 -12.959 16.287 1.00 15.55 H new ATOM 0 HB1 ALA A 10 21.088 -14.891 17.831 1.00 42.24 H new ATOM 0 HB2 ALA A 10 19.459 -14.528 17.214 1.00 42.24 H new ATOM 0 HB3 ALA A 10 20.376 -15.901 16.550 1.00 42.24 H new ATOM 160 N ILE A 11 23.453 -13.765 16.187 1.00 65.43 N ATOM 161 CA ILE A 11 24.856 -14.090 15.957 1.00 52.03 C ATOM 162 C ILE A 11 25.536 -14.536 17.247 1.00 75.23 C ATOM 163 O ILE A 11 25.995 -13.710 18.036 1.00 54.00 O ATOM 164 CB ILE A 11 25.623 -12.889 15.374 1.00 4.41 C ATOM 165 CG1 ILE A 11 25.196 -11.596 16.072 1.00 50.44 C ATOM 166 CG2 ILE A 11 25.392 -12.789 13.874 1.00 73.12 C ATOM 167 CD1 ILE A 11 25.930 -10.370 15.575 1.00 41.12 C ATOM 0 H ILE A 11 23.298 -13.014 16.860 1.00 65.43 H new ATOM 0 HA ILE A 11 24.877 -14.908 15.237 1.00 52.03 H new ATOM 0 HB ILE A 11 26.689 -13.039 15.548 1.00 4.41 H new ATOM 0 HG12 ILE A 11 24.125 -11.452 15.928 1.00 50.44 H new ATOM 0 HG13 ILE A 11 25.363 -11.699 17.144 1.00 50.44 H new ATOM 0 HG21 ILE A 11 25.941 -11.935 13.477 1.00 73.12 H new ATOM 0 HG22 ILE A 11 25.741 -13.701 13.390 1.00 73.12 H new ATOM 0 HG23 ILE A 11 24.328 -12.659 13.678 1.00 73.12 H new ATOM 0 HD11 ILE A 11 25.576 -9.491 16.114 1.00 41.12 H new ATOM 0 HD12 ILE A 11 27.000 -10.493 15.744 1.00 41.12 H new ATOM 0 HD13 ILE A 11 25.743 -10.241 14.509 1.00 41.12 H new ATOM 179 N ILE A 12 25.598 -15.847 17.453 1.00 34.23 N ATOM 180 CA ILE A 12 26.224 -16.403 18.646 1.00 22.21 C ATOM 181 C ILE A 12 27.743 -16.425 18.510 1.00 71.00 C ATOM 182 O ILE A 12 28.285 -17.018 17.577 1.00 51.32 O ATOM 183 CB ILE A 12 25.725 -17.832 18.930 1.00 30.23 C ATOM 184 CG1 ILE A 12 24.223 -17.822 19.224 1.00 24.22 C ATOM 185 CG2 ILE A 12 26.494 -18.440 20.094 1.00 71.44 C ATOM 186 CD1 ILE A 12 23.365 -17.995 17.991 1.00 61.43 C ATOM 0 H ILE A 12 25.223 -16.544 16.810 1.00 34.23 H new ATOM 0 HA ILE A 12 25.945 -15.757 19.479 1.00 22.21 H new ATOM 0 HB ILE A 12 25.899 -18.445 18.045 1.00 30.23 H new ATOM 0 HG12 ILE A 12 23.994 -18.620 19.931 1.00 24.22 H new ATOM 0 HG13 ILE A 12 23.962 -16.881 19.709 1.00 24.22 H new ATOM 0 HG21 ILE A 12 26.130 -19.450 20.283 1.00 71.44 H new ATOM 0 HG22 ILE A 12 27.556 -18.477 19.849 1.00 71.44 H new ATOM 0 HG23 ILE A 12 26.348 -17.829 20.985 1.00 71.44 H new ATOM 0 HD11 ILE A 12 22.313 -17.978 18.275 1.00 61.43 H new ATOM 0 HD12 ILE A 12 23.565 -17.183 17.292 1.00 61.43 H new ATOM 0 HD13 ILE A 12 23.598 -18.948 17.517 1.00 61.43 H new ATOM 198 N PHE A 13 28.425 -15.776 19.448 1.00 71.20 N ATOM 199 CA PHE A 13 29.882 -15.721 19.434 1.00 61.53 C ATOM 200 C PHE A 13 30.471 -16.616 20.521 1.00 14.31 C ATOM 201 O PHE A 13 30.073 -16.541 21.684 1.00 72.54 O ATOM 202 CB PHE A 13 30.361 -14.281 19.627 1.00 24.33 C ATOM 203 CG PHE A 13 30.207 -13.428 18.401 1.00 72.22 C ATOM 204 CD1 PHE A 13 28.971 -12.904 18.056 1.00 22.34 C ATOM 205 CD2 PHE A 13 31.297 -13.151 17.592 1.00 0.50 C ATOM 206 CE1 PHE A 13 28.825 -12.118 16.929 1.00 65.53 C ATOM 207 CE2 PHE A 13 31.157 -12.365 16.463 1.00 25.14 C ATOM 208 CZ PHE A 13 29.920 -11.849 16.131 1.00 61.54 C ATOM 0 H PHE A 13 27.992 -15.281 20.227 1.00 71.20 H new ATOM 0 HA PHE A 13 30.225 -16.083 18.465 1.00 61.53 H new ATOM 0 HB2 PHE A 13 29.804 -13.828 20.447 1.00 24.33 H new ATOM 0 HB3 PHE A 13 31.410 -14.292 19.922 1.00 24.33 H new ATOM 0 HD1 PHE A 13 28.111 -13.113 18.676 1.00 22.34 H new ATOM 0 HD2 PHE A 13 32.267 -13.553 17.846 1.00 0.50 H new ATOM 0 HE1 PHE A 13 27.857 -11.715 16.672 1.00 65.53 H new ATOM 0 HE2 PHE A 13 32.015 -12.155 15.841 1.00 25.14 H new ATOM 0 HZ PHE A 13 29.809 -11.236 15.249 1.00 61.54 H new ATOM 218 N SER A 14 31.420 -17.461 20.134 1.00 62.33 N ATOM 219 CA SER A 14 32.061 -18.374 21.074 1.00 42.44 C ATOM 220 C SER A 14 33.496 -18.671 20.649 1.00 1.01 C ATOM 221 O SER A 14 33.737 -19.197 19.562 1.00 4.33 O ATOM 222 CB SER A 14 31.267 -19.677 21.174 1.00 34.02 C ATOM 223 OG SER A 14 31.109 -20.278 19.901 1.00 64.24 O ATOM 0 H SER A 14 31.763 -17.533 19.176 1.00 62.33 H new ATOM 0 HA SER A 14 32.082 -17.894 22.052 1.00 42.44 H new ATOM 0 HB2 SER A 14 31.779 -20.368 21.844 1.00 34.02 H new ATOM 0 HB3 SER A 14 30.288 -19.477 21.609 1.00 34.02 H new ATOM 0 HG SER A 14 31.864 -20.031 19.327 1.00 64.24 H new ATOM 229 N ASP A 15 34.445 -18.331 21.515 1.00 52.45 N ATOM 230 CA ASP A 15 35.857 -18.561 21.231 1.00 34.43 C ATOM 231 C ASP A 15 36.283 -17.830 19.962 1.00 11.13 C ATOM 232 O ASP A 15 37.120 -18.318 19.204 1.00 35.32 O ATOM 233 CB ASP A 15 36.132 -20.059 21.088 1.00 31.15 C ATOM 234 CG ASP A 15 36.310 -20.745 22.428 1.00 32.55 C ATOM 235 OD1 ASP A 15 37.435 -20.710 22.968 1.00 2.31 O ATOM 236 OD2 ASP A 15 35.324 -21.319 22.937 1.00 32.22 O ATOM 0 H ASP A 15 34.262 -17.895 22.419 1.00 52.45 H new ATOM 0 HA ASP A 15 36.439 -18.170 22.066 1.00 34.43 H new ATOM 0 HB2 ASP A 15 35.308 -20.527 20.550 1.00 31.15 H new ATOM 0 HB3 ASP A 15 37.029 -20.205 20.486 1.00 31.15 H new ATOM 241 N ASN A 16 35.701 -16.657 19.738 1.00 55.52 N ATOM 242 CA ASN A 16 36.019 -15.858 18.560 1.00 60.25 C ATOM 243 C ASN A 16 35.624 -16.593 17.282 1.00 42.31 C ATOM 244 O ASN A 16 36.346 -16.559 16.285 1.00 74.12 O ATOM 245 CB ASN A 16 37.513 -15.528 18.530 1.00 14.33 C ATOM 246 CG ASN A 16 38.032 -15.078 19.882 1.00 31.34 C ATOM 247 OD1 ASN A 16 39.005 -15.627 20.400 1.00 40.04 O ATOM 248 ND2 ASN A 16 37.383 -14.075 20.462 1.00 74.23 N ATOM 0 H ASN A 16 35.006 -16.238 20.357 1.00 55.52 H new ATOM 0 HA ASN A 16 35.450 -14.930 18.616 1.00 60.25 H new ATOM 0 HB2 ASN A 16 38.070 -16.406 18.204 1.00 14.33 H new ATOM 0 HB3 ASN A 16 37.695 -14.744 17.795 1.00 14.33 H new ATOM 0 HD21 ASN A 16 37.686 -13.730 21.373 1.00 74.23 H new ATOM 0 HD22 ASN A 16 36.581 -13.649 19.997 1.00 74.23 H new ATOM 255 N LYS A 17 34.473 -17.256 17.319 1.00 43.32 N ATOM 256 CA LYS A 17 33.980 -17.997 16.165 1.00 73.35 C ATOM 257 C LYS A 17 32.488 -17.753 15.958 1.00 23.00 C ATOM 258 O LYS A 17 31.772 -17.401 16.896 1.00 41.43 O ATOM 259 CB LYS A 17 34.242 -19.494 16.344 1.00 30.31 C ATOM 260 CG LYS A 17 35.562 -19.956 15.752 1.00 43.21 C ATOM 261 CD LYS A 17 36.580 -20.271 16.836 1.00 52.25 C ATOM 262 CE LYS A 17 37.640 -21.241 16.339 1.00 65.30 C ATOM 263 NZ LYS A 17 38.833 -21.263 17.230 1.00 21.25 N ATOM 0 H LYS A 17 33.864 -17.295 18.136 1.00 43.32 H new ATOM 0 HA LYS A 17 34.514 -17.643 15.283 1.00 73.35 H new ATOM 0 HB2 LYS A 17 34.227 -19.732 17.408 1.00 30.31 H new ATOM 0 HB3 LYS A 17 33.430 -20.054 15.881 1.00 30.31 H new ATOM 0 HG2 LYS A 17 35.396 -20.842 15.139 1.00 43.21 H new ATOM 0 HG3 LYS A 17 35.957 -19.182 15.094 1.00 43.21 H new ATOM 0 HD2 LYS A 17 37.056 -19.349 17.168 1.00 52.25 H new ATOM 0 HD3 LYS A 17 36.072 -20.697 17.701 1.00 52.25 H new ATOM 0 HE2 LYS A 17 37.215 -22.243 16.276 1.00 65.30 H new ATOM 0 HE3 LYS A 17 37.945 -20.961 15.331 1.00 65.30 H new ATOM 0 HZ1 LYS A 17 39.532 -21.936 16.857 1.00 21.25 H new ATOM 0 HZ2 LYS A 17 39.254 -20.313 17.270 1.00 21.25 H new ATOM 0 HZ3 LYS A 17 38.547 -21.555 18.186 1.00 21.25 H new ATOM 277 N ILE A 18 32.027 -17.944 14.727 1.00 41.44 N ATOM 278 CA ILE A 18 30.621 -17.746 14.399 1.00 34.31 C ATOM 279 C ILE A 18 29.938 -19.073 14.083 1.00 3.13 C ATOM 280 O ILE A 18 30.567 -20.002 13.574 1.00 4.35 O ATOM 281 CB ILE A 18 30.450 -16.796 13.199 1.00 11.34 C ATOM 282 CG1 ILE A 18 31.211 -15.491 13.443 1.00 52.34 C ATOM 283 CG2 ILE A 18 28.975 -16.517 12.950 1.00 2.22 C ATOM 284 CD1 ILE A 18 32.651 -15.536 12.981 1.00 54.31 C ATOM 0 H ILE A 18 32.607 -18.236 13.940 1.00 41.44 H new ATOM 0 HA ILE A 18 30.153 -17.298 15.276 1.00 34.31 H new ATOM 0 HB ILE A 18 30.863 -17.276 12.312 1.00 11.34 H new ATOM 0 HG12 ILE A 18 30.698 -14.679 12.928 1.00 52.34 H new ATOM 0 HG13 ILE A 18 31.187 -15.259 14.508 1.00 52.34 H new ATOM 0 HG21 ILE A 18 28.871 -15.844 12.099 1.00 2.22 H new ATOM 0 HG22 ILE A 18 28.458 -17.453 12.738 1.00 2.22 H new ATOM 0 HG23 ILE A 18 28.538 -16.054 13.835 1.00 2.22 H new ATOM 0 HD11 ILE A 18 33.129 -14.578 13.185 1.00 54.31 H new ATOM 0 HD12 ILE A 18 33.180 -16.326 13.514 1.00 54.31 H new ATOM 0 HD13 ILE A 18 32.683 -15.737 11.910 1.00 54.31 H new ATOM 296 N LEU A 19 28.647 -19.155 14.386 1.00 5.24 N ATOM 297 CA LEU A 19 27.878 -20.368 14.133 1.00 15.21 C ATOM 298 C LEU A 19 27.126 -20.269 12.810 1.00 74.13 C ATOM 299 O LEU A 19 26.937 -19.177 12.272 1.00 75.42 O ATOM 300 CB LEU A 19 26.892 -20.617 15.276 1.00 75.43 C ATOM 301 CG LEU A 19 25.532 -19.930 15.151 1.00 55.31 C ATOM 302 CD1 LEU A 19 24.601 -20.380 16.267 1.00 43.14 C ATOM 303 CD2 LEU A 19 25.695 -18.417 15.168 1.00 2.13 C ATOM 0 H LEU A 19 28.111 -18.396 14.807 1.00 5.24 H new ATOM 0 HA LEU A 19 28.574 -21.205 14.073 1.00 15.21 H new ATOM 0 HB2 LEU A 19 26.728 -21.691 15.360 1.00 75.43 H new ATOM 0 HB3 LEU A 19 27.356 -20.292 16.207 1.00 75.43 H new ATOM 0 HG LEU A 19 25.088 -20.217 14.198 1.00 55.31 H new ATOM 0 HD11 LEU A 19 23.638 -19.880 16.161 1.00 43.14 H new ATOM 0 HD12 LEU A 19 24.458 -21.459 16.209 1.00 43.14 H new ATOM 0 HD13 LEU A 19 25.039 -20.123 17.232 1.00 43.14 H new ATOM 0 HD21 LEU A 19 24.717 -17.945 15.078 1.00 2.13 H new ATOM 0 HD22 LEU A 19 26.161 -18.112 16.105 1.00 2.13 H new ATOM 0 HD23 LEU A 19 26.325 -18.109 14.333 1.00 2.13 H new ATOM 315 N CYS A 20 26.698 -21.415 12.292 1.00 55.12 N ATOM 316 CA CYS A 20 25.964 -21.458 11.032 1.00 43.35 C ATOM 317 C CYS A 20 24.653 -22.220 11.191 1.00 61.30 C ATOM 318 O CYS A 20 24.593 -23.233 11.888 1.00 2.42 O ATOM 319 CB CYS A 20 26.818 -22.109 9.943 1.00 61.13 C ATOM 320 SG CYS A 20 25.888 -22.608 8.475 1.00 74.31 S ATOM 0 H CYS A 20 26.846 -22.327 12.725 1.00 55.12 H new ATOM 0 HA CYS A 20 25.733 -20.434 10.739 1.00 43.35 H new ATOM 0 HB2 CYS A 20 27.600 -21.411 9.644 1.00 61.13 H new ATOM 0 HB3 CYS A 20 27.314 -22.985 10.361 1.00 61.13 H new ATOM 0 HG CYS A 20 26.577 -22.328 7.409 1.00 74.31 H new ATOM 326 N ALA A 21 23.604 -21.726 10.541 1.00 24.12 N ATOM 327 CA ALA A 21 22.294 -22.361 10.611 1.00 62.04 C ATOM 328 C ALA A 21 21.474 -22.066 9.359 1.00 1.33 C ATOM 329 O ALA A 21 21.103 -20.920 9.106 1.00 31.04 O ATOM 330 CB ALA A 21 21.549 -21.899 11.854 1.00 52.42 C ATOM 0 H ALA A 21 23.636 -20.888 9.960 1.00 24.12 H new ATOM 0 HA ALA A 21 22.443 -23.439 10.671 1.00 62.04 H new ATOM 0 HB1 ALA A 21 20.572 -22.381 11.893 1.00 52.42 H new ATOM 0 HB2 ALA A 21 22.122 -22.167 12.742 1.00 52.42 H new ATOM 0 HB3 ALA A 21 21.418 -20.817 11.819 1.00 52.42 H new ATOM 336 N GLN A 22 21.196 -23.106 8.580 1.00 22.24 N ATOM 337 CA GLN A 22 20.421 -22.957 7.355 1.00 40.45 C ATOM 338 C GLN A 22 18.939 -23.204 7.614 1.00 33.50 C ATOM 339 O GLN A 22 18.482 -24.348 7.620 1.00 45.10 O ATOM 340 CB GLN A 22 20.932 -23.921 6.282 1.00 15.24 C ATOM 341 CG GLN A 22 20.790 -23.387 4.866 1.00 15.33 C ATOM 342 CD GLN A 22 21.515 -24.240 3.845 1.00 24.21 C ATOM 343 OE1 GLN A 22 22.125 -25.254 4.187 1.00 2.20 O ATOM 344 NE2 GLN A 22 21.453 -23.834 2.582 1.00 4.03 N ATOM 0 H GLN A 22 21.496 -24.061 8.776 1.00 22.24 H new ATOM 0 HA GLN A 22 20.543 -21.933 7.001 1.00 40.45 H new ATOM 0 HB2 GLN A 22 21.982 -24.142 6.474 1.00 15.24 H new ATOM 0 HB3 GLN A 22 20.388 -24.862 6.363 1.00 15.24 H new ATOM 0 HG2 GLN A 22 19.733 -23.335 4.606 1.00 15.33 H new ATOM 0 HG3 GLN A 22 21.178 -22.369 4.825 1.00 15.33 H new ATOM 0 HE21 GLN A 22 20.936 -22.988 2.343 1.00 4.03 H new ATOM 0 HE22 GLN A 22 21.922 -24.369 1.851 1.00 4.03 H new ATOM 353 N ARG A 23 18.192 -22.126 7.829 1.00 62.15 N ATOM 354 CA ARG A 23 16.762 -22.227 8.090 1.00 35.13 C ATOM 355 C ARG A 23 16.022 -22.768 6.870 1.00 64.30 C ATOM 356 O ARG A 23 15.513 -23.889 6.887 1.00 52.32 O ATOM 357 CB ARG A 23 16.195 -20.860 8.478 1.00 33.35 C ATOM 358 CG ARG A 23 14.794 -20.926 9.064 1.00 13.12 C ATOM 359 CD ARG A 23 14.825 -21.264 10.546 1.00 12.15 C ATOM 360 NE ARG A 23 13.508 -21.134 11.165 1.00 23.32 N ATOM 361 CZ ARG A 23 13.246 -21.492 12.418 1.00 45.55 C ATOM 362 NH1 ARG A 23 14.206 -21.997 13.181 1.00 73.25 N ATOM 363 NH2 ARG A 23 12.023 -21.343 12.909 1.00 10.22 N ATOM 0 H ARG A 23 18.554 -21.172 7.827 1.00 62.15 H new ATOM 0 HA ARG A 23 16.618 -22.921 8.918 1.00 35.13 H new ATOM 0 HB2 ARG A 23 16.861 -20.392 9.203 1.00 33.35 H new ATOM 0 HB3 ARG A 23 16.181 -20.218 7.597 1.00 33.35 H new ATOM 0 HG2 ARG A 23 14.292 -19.969 8.918 1.00 13.12 H new ATOM 0 HG3 ARG A 23 14.210 -21.676 8.531 1.00 13.12 H new ATOM 0 HD2 ARG A 23 15.188 -22.283 10.678 1.00 12.15 H new ATOM 0 HD3 ARG A 23 15.530 -20.606 11.053 1.00 12.15 H new ATOM 0 HE ARG A 23 12.748 -20.747 10.605 1.00 23.32 H new ATOM 0 HH11 ARG A 23 15.148 -22.111 12.807 1.00 73.25 H new ATOM 0 HH12 ARG A 23 14.002 -22.271 14.142 1.00 73.25 H new ATOM 0 HH21 ARG A 23 11.283 -20.954 12.325 1.00 10.22 H new ATOM 0 HH22 ARG A 23 11.822 -21.618 13.871 1.00 10.22 H new ATOM 377 N SER A 24 15.968 -21.964 5.813 1.00 70.31 N ATOM 378 CA SER A 24 15.288 -22.360 4.585 1.00 35.45 C ATOM 379 C SER A 24 15.516 -21.333 3.481 1.00 5.45 C ATOM 380 O SER A 24 16.389 -20.472 3.592 1.00 64.53 O ATOM 381 CB SER A 24 13.788 -22.527 4.840 1.00 62.34 C ATOM 382 OG SER A 24 13.185 -23.321 3.832 1.00 24.13 O ATOM 0 H SER A 24 16.387 -21.034 5.782 1.00 70.31 H new ATOM 0 HA SER A 24 15.704 -23.314 4.260 1.00 35.45 H new ATOM 0 HB2 SER A 24 13.631 -22.989 5.814 1.00 62.34 H new ATOM 0 HB3 SER A 24 13.310 -21.548 4.871 1.00 62.34 H new ATOM 0 HG SER A 24 12.227 -23.414 4.018 1.00 24.13 H new ATOM 388 N GLU A 25 14.725 -21.430 2.418 1.00 41.23 N ATOM 389 CA GLU A 25 14.842 -20.509 1.293 1.00 70.21 C ATOM 390 C GLU A 25 14.137 -19.190 1.594 1.00 2.33 C ATOM 391 O GLU A 25 14.087 -18.293 0.753 1.00 41.45 O ATOM 392 CB GLU A 25 14.253 -21.137 0.028 1.00 63.21 C ATOM 393 CG GLU A 25 15.304 -21.618 -0.959 1.00 1.51 C ATOM 394 CD GLU A 25 15.605 -20.593 -2.036 1.00 32.04 C ATOM 395 OE1 GLU A 25 16.002 -19.463 -1.683 1.00 41.55 O ATOM 396 OE2 GLU A 25 15.443 -20.921 -3.229 1.00 71.14 O ATOM 0 H GLU A 25 13.997 -22.136 2.312 1.00 41.23 H new ATOM 0 HA GLU A 25 15.901 -20.307 1.131 1.00 70.21 H new ATOM 0 HB2 GLU A 25 13.620 -21.978 0.311 1.00 63.21 H new ATOM 0 HB3 GLU A 25 13.611 -20.407 -0.465 1.00 63.21 H new ATOM 0 HG2 GLU A 25 16.222 -21.854 -0.421 1.00 1.51 H new ATOM 0 HG3 GLU A 25 14.962 -22.541 -1.427 1.00 1.51 H new ATOM 403 N LYS A 26 13.593 -19.079 2.801 1.00 13.12 N ATOM 404 CA LYS A 26 12.891 -17.870 3.216 1.00 33.24 C ATOM 405 C LYS A 26 13.875 -16.743 3.510 1.00 3.11 C ATOM 406 O LYS A 26 13.591 -15.574 3.249 1.00 30.41 O ATOM 407 CB LYS A 26 12.037 -18.152 4.455 1.00 51.42 C ATOM 408 CG LYS A 26 10.993 -19.234 4.241 1.00 61.11 C ATOM 409 CD LYS A 26 9.657 -18.850 4.855 1.00 24.03 C ATOM 410 CE LYS A 26 8.581 -19.876 4.535 1.00 22.14 C ATOM 411 NZ LYS A 26 8.989 -21.251 4.937 1.00 52.03 N ATOM 0 H LYS A 26 13.625 -19.812 3.510 1.00 13.12 H new ATOM 0 HA LYS A 26 12.242 -17.557 2.398 1.00 33.24 H new ATOM 0 HB2 LYS A 26 12.690 -18.446 5.277 1.00 51.42 H new ATOM 0 HB3 LYS A 26 11.538 -17.232 4.759 1.00 51.42 H new ATOM 0 HG2 LYS A 26 10.866 -19.412 3.173 1.00 61.11 H new ATOM 0 HG3 LYS A 26 11.341 -20.169 4.681 1.00 61.11 H new ATOM 0 HD2 LYS A 26 9.765 -18.759 5.936 1.00 24.03 H new ATOM 0 HD3 LYS A 26 9.352 -17.872 4.482 1.00 24.03 H new ATOM 0 HE2 LYS A 26 7.658 -19.606 5.048 1.00 22.14 H new ATOM 0 HE3 LYS A 26 8.368 -19.858 3.466 1.00 22.14 H new ATOM 0 HZ1 LYS A 26 8.169 -21.888 4.877 1.00 52.03 H new ATOM 0 HZ2 LYS A 26 9.738 -21.591 4.301 1.00 52.03 H new ATOM 0 HZ3 LYS A 26 9.345 -21.236 5.914 1.00 52.03 H new ATOM 425 N MET A 27 15.034 -17.102 4.053 1.00 0.10 N ATOM 426 CA MET A 27 16.062 -16.120 4.379 1.00 15.23 C ATOM 427 C MET A 27 16.720 -15.581 3.113 1.00 22.13 C ATOM 428 O MET A 27 16.309 -15.909 2.000 1.00 34.05 O ATOM 429 CB MET A 27 17.119 -16.741 5.294 1.00 61.14 C ATOM 430 CG MET A 27 17.051 -16.242 6.728 1.00 61.40 C ATOM 431 SD MET A 27 17.323 -14.465 6.859 1.00 40.20 S ATOM 432 CE MET A 27 15.646 -13.883 7.100 1.00 44.42 C ATOM 0 H MET A 27 15.285 -18.065 4.276 1.00 0.10 H new ATOM 0 HA MET A 27 15.584 -15.290 4.900 1.00 15.23 H new ATOM 0 HB2 MET A 27 17.000 -17.825 5.289 1.00 61.14 H new ATOM 0 HB3 MET A 27 18.108 -16.527 4.890 1.00 61.14 H new ATOM 0 HG2 MET A 27 16.076 -16.488 7.148 1.00 61.40 H new ATOM 0 HG3 MET A 27 17.797 -16.765 7.326 1.00 61.40 H new ATOM 0 HE1 MET A 27 15.478 -12.994 6.492 1.00 44.42 H new ATOM 0 HE2 MET A 27 14.944 -14.663 6.804 1.00 44.42 H new ATOM 0 HE3 MET A 27 15.494 -13.637 8.151 1.00 44.42 H new ATOM 442 N SER A 28 17.744 -14.753 3.291 1.00 44.32 N ATOM 443 CA SER A 28 18.457 -14.165 2.162 1.00 21.53 C ATOM 444 C SER A 28 19.656 -15.024 1.771 1.00 5.43 C ATOM 445 O SER A 28 20.492 -15.363 2.610 1.00 0.13 O ATOM 446 CB SER A 28 18.920 -12.748 2.506 1.00 71.31 C ATOM 447 OG SER A 28 17.814 -11.888 2.719 1.00 60.23 O ATOM 0 H SER A 28 18.099 -14.474 4.206 1.00 44.32 H new ATOM 0 HA SER A 28 17.773 -14.120 1.315 1.00 21.53 H new ATOM 0 HB2 SER A 28 19.543 -12.773 3.400 1.00 71.31 H new ATOM 0 HB3 SER A 28 19.538 -12.358 1.697 1.00 71.31 H new ATOM 0 HG SER A 28 18.136 -10.989 2.939 1.00 60.23 H new ATOM 453 N LEU A 29 19.735 -15.371 0.492 1.00 73.34 N ATOM 454 CA LEU A 29 20.832 -16.190 -0.013 1.00 74.20 C ATOM 455 C LEU A 29 21.220 -17.264 0.999 1.00 54.25 C ATOM 456 O LEU A 29 22.386 -17.416 1.362 1.00 30.41 O ATOM 457 CB LEU A 29 22.043 -15.313 -0.333 1.00 63.23 C ATOM 458 CG LEU A 29 21.918 -14.419 -1.568 1.00 34.54 C ATOM 459 CD1 LEU A 29 21.010 -13.234 -1.278 1.00 74.32 C ATOM 460 CD2 LEU A 29 23.289 -13.944 -2.024 1.00 3.03 C ATOM 0 H LEU A 29 19.053 -15.098 -0.215 1.00 73.34 H new ATOM 0 HA LEU A 29 20.496 -16.682 -0.926 1.00 74.20 H new ATOM 0 HB2 LEU A 29 22.246 -14.679 0.530 1.00 63.23 H new ATOM 0 HB3 LEU A 29 22.910 -15.960 -0.464 1.00 63.23 H new ATOM 0 HG LEU A 29 21.473 -15.004 -2.373 1.00 34.54 H new ATOM 0 HD11 LEU A 29 20.933 -12.609 -2.167 1.00 74.32 H new ATOM 0 HD12 LEU A 29 20.019 -13.594 -1.000 1.00 74.32 H new ATOM 0 HD13 LEU A 29 21.426 -12.649 -0.458 1.00 74.32 H new ATOM 0 HD21 LEU A 29 23.180 -13.309 -2.904 1.00 3.03 H new ATOM 0 HD22 LEU A 29 23.762 -13.376 -1.223 1.00 3.03 H new ATOM 0 HD23 LEU A 29 23.908 -14.806 -2.273 1.00 3.03 H new ATOM 472 N PRO A 30 20.220 -18.028 1.463 1.00 22.23 N ATOM 473 CA PRO A 30 20.433 -19.103 2.437 1.00 32.11 C ATOM 474 C PRO A 30 21.190 -20.285 1.840 1.00 12.43 C ATOM 475 O PRO A 30 21.747 -21.109 2.566 1.00 34.25 O ATOM 476 CB PRO A 30 19.011 -19.519 2.823 1.00 50.23 C ATOM 477 CG PRO A 30 18.174 -19.139 1.650 1.00 62.20 C ATOM 478 CD PRO A 30 18.806 -17.902 1.074 1.00 72.34 C ATOM 0 HA PRO A 30 21.040 -18.774 3.281 1.00 32.11 H new ATOM 0 HB2 PRO A 30 18.952 -20.589 3.022 1.00 50.23 H new ATOM 0 HB3 PRO A 30 18.681 -19.008 3.727 1.00 50.23 H new ATOM 0 HG2 PRO A 30 18.146 -19.942 0.914 1.00 62.20 H new ATOM 0 HG3 PRO A 30 17.144 -18.947 1.951 1.00 62.20 H new ATOM 0 HD2 PRO A 30 18.690 -17.858 -0.009 1.00 72.34 H new ATOM 0 HD3 PRO A 30 18.357 -16.995 1.480 1.00 72.34 H new ATOM 486 N LEU A 31 21.207 -20.361 0.514 1.00 23.02 N ATOM 487 CA LEU A 31 21.897 -21.442 -0.181 1.00 21.31 C ATOM 488 C LEU A 31 23.360 -21.516 0.244 1.00 63.33 C ATOM 489 O LEU A 31 23.828 -22.552 0.715 1.00 64.55 O ATOM 490 CB LEU A 31 21.803 -21.244 -1.695 1.00 11.23 C ATOM 491 CG LEU A 31 20.427 -20.853 -2.236 1.00 63.41 C ATOM 492 CD1 LEU A 31 20.440 -20.826 -3.757 1.00 2.24 C ATOM 493 CD2 LEU A 31 19.362 -21.813 -1.727 1.00 72.33 C ATOM 0 H LEU A 31 20.751 -19.687 -0.101 1.00 23.02 H new ATOM 0 HA LEU A 31 21.412 -22.381 0.087 1.00 21.31 H new ATOM 0 HB2 LEU A 31 22.518 -20.474 -1.986 1.00 11.23 H new ATOM 0 HB3 LEU A 31 22.114 -22.168 -2.182 1.00 11.23 H new ATOM 0 HG LEU A 31 20.187 -19.852 -1.877 1.00 63.41 H new ATOM 0 HD11 LEU A 31 19.453 -20.546 -4.124 1.00 2.24 H new ATOM 0 HD12 LEU A 31 21.175 -20.099 -4.102 1.00 2.24 H new ATOM 0 HD13 LEU A 31 20.701 -21.814 -4.136 1.00 2.24 H new ATOM 0 HD21 LEU A 31 18.389 -21.520 -2.122 1.00 72.33 H new ATOM 0 HD22 LEU A 31 19.597 -22.825 -2.056 1.00 72.33 H new ATOM 0 HD23 LEU A 31 19.336 -21.783 -0.638 1.00 72.33 H new ATOM 505 N MET A 32 24.077 -20.410 0.076 1.00 54.54 N ATOM 506 CA MET A 32 25.486 -20.348 0.445 1.00 61.51 C ATOM 507 C MET A 32 25.651 -20.352 1.961 1.00 4.22 C ATOM 508 O MET A 32 26.439 -21.125 2.507 1.00 13.21 O ATOM 509 CB MET A 32 26.137 -19.097 -0.148 1.00 71.31 C ATOM 510 CG MET A 32 25.437 -17.805 0.241 1.00 32.52 C ATOM 511 SD MET A 32 25.893 -16.421 -0.820 1.00 73.23 S ATOM 512 CE MET A 32 25.404 -15.035 0.203 1.00 50.42 C ATOM 0 H MET A 32 23.705 -19.544 -0.314 1.00 54.54 H new ATOM 0 HA MET A 32 25.981 -21.231 0.041 1.00 61.51 H new ATOM 0 HB2 MET A 32 27.176 -19.050 0.177 1.00 71.31 H new ATOM 0 HB3 MET A 32 26.146 -19.183 -1.235 1.00 71.31 H new ATOM 0 HG2 MET A 32 24.358 -17.953 0.195 1.00 32.52 H new ATOM 0 HG3 MET A 32 25.681 -17.561 1.275 1.00 32.52 H new ATOM 0 HE1 MET A 32 25.284 -14.148 -0.419 1.00 50.42 H new ATOM 0 HE2 MET A 32 24.459 -15.263 0.697 1.00 50.42 H new ATOM 0 HE3 MET A 32 26.171 -14.850 0.955 1.00 50.42 H new ATOM 522 N TRP A 33 24.906 -19.484 2.635 1.00 55.32 N ATOM 523 CA TRP A 33 24.971 -19.387 4.089 1.00 75.13 C ATOM 524 C TRP A 33 23.713 -18.731 4.647 1.00 11.44 C ATOM 525 O TRP A 33 22.997 -18.033 3.931 1.00 54.52 O ATOM 526 CB TRP A 33 26.207 -18.593 4.513 1.00 52.42 C ATOM 527 CG TRP A 33 27.497 -19.279 4.179 1.00 10.42 C ATOM 528 CD1 TRP A 33 28.299 -19.036 3.101 1.00 61.23 C ATOM 529 CD2 TRP A 33 28.132 -20.321 4.928 1.00 1.50 C ATOM 530 NE1 TRP A 33 29.395 -19.865 3.134 1.00 13.21 N ATOM 531 CE2 TRP A 33 29.316 -20.662 4.246 1.00 43.45 C ATOM 532 CE3 TRP A 33 27.817 -20.997 6.109 1.00 22.05 C ATOM 533 CZ2 TRP A 33 30.182 -21.650 4.706 1.00 4.43 C ATOM 534 CZ3 TRP A 33 28.678 -21.978 6.565 1.00 14.53 C ATOM 535 CH2 TRP A 33 29.849 -22.296 5.866 1.00 42.15 C ATOM 0 H TRP A 33 24.250 -18.837 2.198 1.00 55.32 H new ATOM 0 HA TRP A 33 25.041 -20.397 4.493 1.00 75.13 H new ATOM 0 HB2 TRP A 33 26.187 -17.617 4.028 1.00 52.42 H new ATOM 0 HB3 TRP A 33 26.165 -18.416 5.588 1.00 52.42 H new ATOM 0 HD1 TRP A 33 28.101 -18.301 2.335 1.00 61.23 H new ATOM 0 HE1 TRP A 33 30.145 -19.884 2.443 1.00 13.21 H new ATOM 0 HE3 TRP A 33 26.917 -20.758 6.656 1.00 22.05 H new ATOM 0 HZ2 TRP A 33 31.084 -21.898 4.167 1.00 4.43 H new ATOM 0 HZ3 TRP A 33 28.443 -22.508 7.476 1.00 14.53 H new ATOM 0 HH2 TRP A 33 30.502 -23.066 6.250 1.00 42.15 H new ATOM 546 N GLU A 34 23.451 -18.959 5.931 1.00 61.34 N ATOM 547 CA GLU A 34 22.278 -18.389 6.584 1.00 65.34 C ATOM 548 C GLU A 34 22.423 -18.440 8.102 1.00 74.51 C ATOM 549 O GLU A 34 23.122 -19.298 8.642 1.00 74.32 O ATOM 550 CB GLU A 34 21.014 -19.137 6.155 1.00 64.32 C ATOM 551 CG GLU A 34 19.755 -18.290 6.217 1.00 11.32 C ATOM 552 CD GLU A 34 18.565 -19.053 6.765 1.00 13.12 C ATOM 553 OE1 GLU A 34 18.272 -18.910 7.971 1.00 74.34 O ATOM 554 OE2 GLU A 34 17.926 -19.793 5.988 1.00 41.24 O ATOM 0 H GLU A 34 24.035 -19.534 6.539 1.00 61.34 H new ATOM 0 HA GLU A 34 22.194 -17.346 6.279 1.00 65.34 H new ATOM 0 HB2 GLU A 34 21.146 -19.502 5.137 1.00 64.32 H new ATOM 0 HB3 GLU A 34 20.885 -20.011 6.793 1.00 64.32 H new ATOM 0 HG2 GLU A 34 19.940 -17.416 6.841 1.00 11.32 H new ATOM 0 HG3 GLU A 34 19.518 -17.924 5.218 1.00 11.32 H new ATOM 561 N PHE A 35 21.757 -17.515 8.785 1.00 33.30 N ATOM 562 CA PHE A 35 21.811 -17.453 10.241 1.00 42.01 C ATOM 563 C PHE A 35 20.532 -18.013 10.857 1.00 4.54 C ATOM 564 O PHE A 35 19.495 -18.124 10.204 1.00 41.13 O ATOM 565 CB PHE A 35 22.025 -16.010 10.703 1.00 33.12 C ATOM 566 CG PHE A 35 23.472 -15.635 10.849 1.00 32.45 C ATOM 567 CD1 PHE A 35 23.956 -14.461 10.296 1.00 23.12 C ATOM 568 CD2 PHE A 35 24.347 -16.457 11.541 1.00 64.14 C ATOM 569 CE1 PHE A 35 25.288 -14.114 10.429 1.00 74.52 C ATOM 570 CE2 PHE A 35 25.680 -16.115 11.677 1.00 72.52 C ATOM 571 CZ PHE A 35 26.150 -14.942 11.121 1.00 42.01 C ATOM 0 H PHE A 35 21.174 -16.798 8.354 1.00 33.30 H new ATOM 0 HA PHE A 35 22.651 -18.062 10.575 1.00 42.01 H new ATOM 0 HB2 PHE A 35 21.553 -15.335 9.989 1.00 33.12 H new ATOM 0 HB3 PHE A 35 21.522 -15.865 11.659 1.00 33.12 H new ATOM 0 HD1 PHE A 35 23.286 -13.809 9.755 1.00 23.12 H new ATOM 0 HD2 PHE A 35 23.984 -17.375 11.979 1.00 64.14 H new ATOM 0 HE1 PHE A 35 25.654 -13.197 9.992 1.00 74.52 H new ATOM 0 HE2 PHE A 35 26.352 -16.765 12.217 1.00 72.52 H new ATOM 0 HZ PHE A 35 27.190 -14.672 11.227 1.00 42.01 H new ATOM 581 N PRO A 36 20.607 -18.374 12.147 1.00 70.11 N ATOM 582 CA PRO A 36 19.465 -18.928 12.881 1.00 64.31 C ATOM 583 C PRO A 36 18.379 -17.889 13.134 1.00 51.23 C ATOM 584 O PRO A 36 18.660 -16.696 13.242 1.00 24.14 O ATOM 585 CB PRO A 36 20.084 -19.388 14.204 1.00 74.24 C ATOM 586 CG PRO A 36 21.292 -18.534 14.374 1.00 2.11 C ATOM 587 CD PRO A 36 21.811 -18.269 12.988 1.00 62.32 C ATOM 0 HA PRO A 36 18.971 -19.725 12.325 1.00 64.31 H new ATOM 0 HB2 PRO A 36 19.388 -19.259 15.033 1.00 74.24 H new ATOM 0 HB3 PRO A 36 20.348 -20.445 14.171 1.00 74.24 H new ATOM 0 HG2 PRO A 36 21.043 -17.602 14.882 1.00 2.11 H new ATOM 0 HG3 PRO A 36 22.043 -19.038 14.982 1.00 2.11 H new ATOM 0 HD2 PRO A 36 22.269 -17.283 12.912 1.00 62.32 H new ATOM 0 HD3 PRO A 36 22.569 -18.996 12.697 1.00 62.32 H new ATOM 595 N GLY A 37 17.135 -18.350 13.227 1.00 41.33 N ATOM 596 CA GLY A 37 16.025 -17.446 13.466 1.00 21.25 C ATOM 597 C GLY A 37 14.882 -17.661 12.494 1.00 3.11 C ATOM 598 O GLY A 37 14.507 -18.797 12.207 1.00 2.11 O ATOM 0 H GLY A 37 16.876 -19.333 13.141 1.00 41.33 H new ATOM 0 HA2 GLY A 37 15.662 -17.583 14.485 1.00 21.25 H new ATOM 0 HA3 GLY A 37 16.375 -16.417 13.388 1.00 21.25 H new ATOM 602 N GLY A 38 14.325 -16.565 11.986 1.00 23.43 N ATOM 603 CA GLY A 38 13.223 -16.661 11.048 1.00 53.25 C ATOM 604 C GLY A 38 12.636 -15.306 10.703 1.00 35.44 C ATOM 605 O GLY A 38 13.334 -14.428 10.197 1.00 64.42 O ATOM 0 H GLY A 38 14.618 -15.613 12.208 1.00 23.43 H new ATOM 0 HA2 GLY A 38 13.568 -17.147 10.135 1.00 53.25 H new ATOM 0 HA3 GLY A 38 12.443 -17.294 11.472 1.00 53.25 H new ATOM 609 N LYS A 39 11.347 -15.135 10.977 1.00 34.31 N ATOM 610 CA LYS A 39 10.664 -13.879 10.693 1.00 11.43 C ATOM 611 C LYS A 39 10.198 -13.209 11.982 1.00 23.24 C ATOM 612 O LYS A 39 10.335 -13.770 13.070 1.00 62.24 O ATOM 613 CB LYS A 39 9.467 -14.122 9.771 1.00 10.52 C ATOM 614 CG LYS A 39 8.285 -14.773 10.468 1.00 70.23 C ATOM 615 CD LYS A 39 7.224 -15.212 9.472 1.00 20.25 C ATOM 616 CE LYS A 39 6.073 -15.927 10.164 1.00 52.42 C ATOM 617 NZ LYS A 39 5.304 -15.010 11.050 1.00 33.14 N ATOM 0 H LYS A 39 10.754 -15.852 11.396 1.00 34.31 H new ATOM 0 HA LYS A 39 11.370 -13.216 10.194 1.00 11.43 H new ATOM 0 HB2 LYS A 39 9.148 -13.171 9.345 1.00 10.52 H new ATOM 0 HB3 LYS A 39 9.781 -14.754 8.940 1.00 10.52 H new ATOM 0 HG2 LYS A 39 8.628 -15.635 11.040 1.00 70.23 H new ATOM 0 HG3 LYS A 39 7.850 -14.072 11.180 1.00 70.23 H new ATOM 0 HD2 LYS A 39 6.844 -14.342 8.936 1.00 20.25 H new ATOM 0 HD3 LYS A 39 7.671 -15.873 8.730 1.00 20.25 H new ATOM 0 HE2 LYS A 39 5.406 -16.352 9.414 1.00 52.42 H new ATOM 0 HE3 LYS A 39 6.462 -16.758 10.752 1.00 52.42 H new ATOM 0 HZ1 LYS A 39 4.452 -15.496 11.397 1.00 33.14 H new ATOM 0 HZ2 LYS A 39 5.896 -14.730 11.858 1.00 33.14 H new ATOM 0 HZ3 LYS A 39 5.026 -14.163 10.515 1.00 33.14 H new ATOM 631 N VAL A 40 9.646 -12.007 11.854 1.00 41.24 N ATOM 632 CA VAL A 40 9.158 -11.262 13.008 1.00 33.20 C ATOM 633 C VAL A 40 7.730 -10.778 12.785 1.00 15.43 C ATOM 634 O VAL A 40 7.346 -10.439 11.666 1.00 64.41 O ATOM 635 CB VAL A 40 10.057 -10.050 13.316 1.00 63.41 C ATOM 636 CG1 VAL A 40 9.573 -9.329 14.564 1.00 32.03 C ATOM 637 CG2 VAL A 40 11.506 -10.489 13.471 1.00 13.45 C ATOM 0 H VAL A 40 9.525 -11.528 10.962 1.00 41.24 H new ATOM 0 HA VAL A 40 9.179 -11.945 13.857 1.00 33.20 H new ATOM 0 HB VAL A 40 9.999 -9.354 12.479 1.00 63.41 H new ATOM 0 HG11 VAL A 40 10.221 -8.476 14.765 1.00 32.03 H new ATOM 0 HG12 VAL A 40 8.552 -8.981 14.410 1.00 32.03 H new ATOM 0 HG13 VAL A 40 9.599 -10.013 15.412 1.00 32.03 H new ATOM 0 HG21 VAL A 40 12.128 -9.621 13.688 1.00 13.45 H new ATOM 0 HG22 VAL A 40 11.584 -11.205 14.289 1.00 13.45 H new ATOM 0 HG23 VAL A 40 11.845 -10.956 12.547 1.00 13.45 H new ATOM 647 N GLU A 41 6.947 -10.746 13.859 1.00 33.32 N ATOM 648 CA GLU A 41 5.560 -10.303 13.780 1.00 12.11 C ATOM 649 C GLU A 41 5.481 -8.828 13.396 1.00 62.23 C ATOM 650 O GLU A 41 6.285 -8.013 13.848 1.00 43.10 O ATOM 651 CB GLU A 41 4.851 -10.531 15.117 1.00 70.33 C ATOM 652 CG GLU A 41 3.776 -11.603 15.060 1.00 33.40 C ATOM 653 CD GLU A 41 2.742 -11.452 16.159 1.00 2.22 C ATOM 654 OE1 GLU A 41 2.136 -12.472 16.548 1.00 63.52 O ATOM 655 OE2 GLU A 41 2.539 -10.313 16.630 1.00 20.55 O ATOM 0 H GLU A 41 7.249 -11.021 14.793 1.00 33.32 H new ATOM 0 HA GLU A 41 5.062 -10.890 13.008 1.00 12.11 H new ATOM 0 HB2 GLU A 41 5.590 -10.809 15.868 1.00 70.33 H new ATOM 0 HB3 GLU A 41 4.401 -9.594 15.445 1.00 70.33 H new ATOM 0 HG2 GLU A 41 3.279 -11.563 14.091 1.00 33.40 H new ATOM 0 HG3 GLU A 41 4.243 -12.585 15.138 1.00 33.40 H new ATOM 662 N LYS A 42 4.507 -8.493 12.557 1.00 13.42 N ATOM 663 CA LYS A 42 4.320 -7.117 12.111 1.00 65.01 C ATOM 664 C LYS A 42 4.214 -6.169 13.301 1.00 54.32 C ATOM 665 O LYS A 42 4.668 -5.027 13.239 1.00 35.00 O ATOM 666 CB LYS A 42 3.065 -7.006 11.243 1.00 61.33 C ATOM 667 CG LYS A 42 1.838 -7.654 11.862 1.00 44.33 C ATOM 668 CD LYS A 42 1.452 -8.929 11.131 1.00 4.12 C ATOM 669 CE LYS A 42 -0.052 -9.151 11.155 1.00 31.33 C ATOM 670 NZ LYS A 42 -0.685 -8.806 9.852 1.00 23.21 N ATOM 0 H LYS A 42 3.834 -9.156 12.172 1.00 13.42 H new ATOM 0 HA LYS A 42 5.190 -6.832 11.519 1.00 65.01 H new ATOM 0 HB2 LYS A 42 2.854 -5.953 11.057 1.00 61.33 H new ATOM 0 HB3 LYS A 42 3.261 -7.468 10.275 1.00 61.33 H new ATOM 0 HG2 LYS A 42 2.034 -7.880 12.910 1.00 44.33 H new ATOM 0 HG3 LYS A 42 1.004 -6.953 11.838 1.00 44.33 H new ATOM 0 HD2 LYS A 42 1.797 -8.876 10.098 1.00 4.12 H new ATOM 0 HD3 LYS A 42 1.954 -9.780 11.591 1.00 4.12 H new ATOM 0 HE2 LYS A 42 -0.261 -10.193 11.396 1.00 31.33 H new ATOM 0 HE3 LYS A 42 -0.496 -8.546 11.946 1.00 31.33 H new ATOM 0 HZ1 LYS A 42 -1.710 -8.971 9.910 1.00 23.21 H new ATOM 0 HZ2 LYS A 42 -0.507 -7.805 9.634 1.00 23.21 H new ATOM 0 HZ3 LYS A 42 -0.280 -9.401 9.101 1.00 23.21 H new ATOM 684 N ASN A 43 3.612 -6.651 14.384 1.00 52.55 N ATOM 685 CA ASN A 43 3.447 -5.845 15.588 1.00 33.33 C ATOM 686 C ASN A 43 4.422 -6.287 16.675 1.00 11.54 C ATOM 687 O ASN A 43 4.085 -6.294 17.859 1.00 72.02 O ATOM 688 CB ASN A 43 2.010 -5.950 16.103 1.00 12.35 C ATOM 689 CG ASN A 43 1.018 -5.248 15.196 1.00 73.53 C ATOM 690 OD1 ASN A 43 1.364 -4.295 14.498 1.00 62.43 O ATOM 691 ND2 ASN A 43 -0.224 -5.719 15.202 1.00 52.42 N ATOM 0 H ASN A 43 3.231 -7.595 14.452 1.00 52.55 H new ATOM 0 HA ASN A 43 3.660 -4.807 15.333 1.00 33.33 H new ATOM 0 HB2 ASN A 43 1.735 -7.001 16.193 1.00 12.35 H new ATOM 0 HB3 ASN A 43 1.953 -5.519 17.102 1.00 12.35 H new ATOM 0 HD21 ASN A 43 -0.936 -5.288 14.612 1.00 52.42 H new ATOM 0 HD22 ASN A 43 -0.466 -6.511 15.797 1.00 52.42 H new ATOM 698 N GLU A 44 5.632 -6.653 16.264 1.00 11.23 N ATOM 699 CA GLU A 44 6.656 -7.095 17.204 1.00 74.43 C ATOM 700 C GLU A 44 8.033 -6.587 16.787 1.00 13.22 C ATOM 701 O GLU A 44 8.404 -6.654 15.615 1.00 25.30 O ATOM 702 CB GLU A 44 6.670 -8.623 17.294 1.00 11.35 C ATOM 703 CG GLU A 44 7.066 -9.147 18.664 1.00 20.44 C ATOM 704 CD GLU A 44 6.293 -10.391 19.059 1.00 62.04 C ATOM 705 OE1 GLU A 44 5.517 -10.323 20.034 1.00 34.30 O ATOM 706 OE2 GLU A 44 6.465 -11.432 18.391 1.00 63.32 O ATOM 0 H GLU A 44 5.927 -6.652 15.288 1.00 11.23 H new ATOM 0 HA GLU A 44 6.417 -6.682 18.184 1.00 74.43 H new ATOM 0 HB2 GLU A 44 5.680 -9.003 17.041 1.00 11.35 H new ATOM 0 HB3 GLU A 44 7.362 -9.016 16.550 1.00 11.35 H new ATOM 0 HG2 GLU A 44 8.133 -9.370 18.669 1.00 20.44 H new ATOM 0 HG3 GLU A 44 6.899 -8.369 19.409 1.00 20.44 H new ATOM 713 N THR A 45 8.787 -6.076 17.756 1.00 34.40 N ATOM 714 CA THR A 45 10.121 -5.554 17.491 1.00 24.52 C ATOM 715 C THR A 45 11.104 -6.682 17.197 1.00 2.11 C ATOM 716 O THR A 45 10.863 -7.835 17.551 1.00 74.54 O ATOM 717 CB THR A 45 10.647 -4.727 18.680 1.00 61.44 C ATOM 718 OG1 THR A 45 9.553 -4.120 19.376 1.00 21.52 O ATOM 719 CG2 THR A 45 11.612 -3.652 18.205 1.00 3.43 C ATOM 0 H THR A 45 8.496 -6.013 18.731 1.00 34.40 H new ATOM 0 HA THR A 45 10.040 -4.909 16.616 1.00 24.52 H new ATOM 0 HB THR A 45 11.179 -5.398 19.355 1.00 61.44 H new ATOM 0 HG1 THR A 45 9.895 -3.598 20.131 1.00 21.52 H new ATOM 0 HG21 THR A 45 11.970 -3.081 19.061 1.00 3.43 H new ATOM 0 HG22 THR A 45 12.458 -4.119 17.701 1.00 3.43 H new ATOM 0 HG23 THR A 45 11.100 -2.984 17.512 1.00 3.43 H new ATOM 727 N GLU A 46 12.213 -6.340 16.549 1.00 62.03 N ATOM 728 CA GLU A 46 13.232 -7.325 16.207 1.00 24.55 C ATOM 729 C GLU A 46 13.725 -8.053 17.455 1.00 2.12 C ATOM 730 O GLU A 46 13.633 -9.277 17.552 1.00 52.23 O ATOM 731 CB GLU A 46 14.409 -6.651 15.499 1.00 10.21 C ATOM 732 CG GLU A 46 14.218 -6.513 13.998 1.00 15.41 C ATOM 733 CD GLU A 46 12.821 -6.053 13.628 1.00 13.10 C ATOM 734 OE1 GLU A 46 12.600 -4.826 13.551 1.00 61.44 O ATOM 735 OE2 GLU A 46 11.948 -6.921 13.416 1.00 41.25 O ATOM 0 H GLU A 46 12.429 -5.389 16.250 1.00 62.03 H new ATOM 0 HA GLU A 46 12.783 -8.055 15.534 1.00 24.55 H new ATOM 0 HB2 GLU A 46 14.563 -5.662 15.930 1.00 10.21 H new ATOM 0 HB3 GLU A 46 15.315 -7.226 15.690 1.00 10.21 H new ATOM 0 HG2 GLU A 46 14.946 -5.803 13.607 1.00 15.41 H new ATOM 0 HG3 GLU A 46 14.419 -7.472 13.520 1.00 15.41 H new ATOM 742 N LYS A 47 14.250 -7.291 18.409 1.00 52.33 N ATOM 743 CA LYS A 47 14.757 -7.860 19.651 1.00 2.04 C ATOM 744 C LYS A 47 13.638 -8.537 20.436 1.00 24.24 C ATOM 745 O LYS A 47 13.760 -9.696 20.834 1.00 11.25 O ATOM 746 CB LYS A 47 15.408 -6.771 20.507 1.00 1.21 C ATOM 747 CG LYS A 47 16.926 -6.807 20.486 1.00 24.24 C ATOM 748 CD LYS A 47 17.480 -7.620 21.644 1.00 24.52 C ATOM 749 CE LYS A 47 17.330 -9.114 21.398 1.00 4.04 C ATOM 750 NZ LYS A 47 16.226 -9.701 22.207 1.00 24.03 N ATOM 0 H LYS A 47 14.335 -6.277 18.345 1.00 52.33 H new ATOM 0 HA LYS A 47 15.506 -8.611 19.398 1.00 2.04 H new ATOM 0 HB2 LYS A 47 15.071 -5.795 20.157 1.00 1.21 H new ATOM 0 HB3 LYS A 47 15.065 -6.876 21.536 1.00 1.21 H new ATOM 0 HG2 LYS A 47 17.268 -7.235 19.543 1.00 24.24 H new ATOM 0 HG3 LYS A 47 17.316 -5.790 20.535 1.00 24.24 H new ATOM 0 HD2 LYS A 47 18.533 -7.378 21.789 1.00 24.52 H new ATOM 0 HD3 LYS A 47 16.961 -7.347 22.563 1.00 24.52 H new ATOM 0 HE2 LYS A 47 17.138 -9.290 20.340 1.00 4.04 H new ATOM 0 HE3 LYS A 47 18.266 -9.618 21.641 1.00 4.04 H new ATOM 0 HZ1 LYS A 47 16.536 -10.608 22.611 1.00 24.03 H new ATOM 0 HZ2 LYS A 47 15.974 -9.048 22.976 1.00 24.03 H new ATOM 0 HZ3 LYS A 47 15.396 -9.858 21.600 1.00 24.03 H new ATOM 764 N ASP A 48 12.550 -7.808 20.654 1.00 14.12 N ATOM 765 CA ASP A 48 11.408 -8.339 21.389 1.00 32.44 C ATOM 766 C ASP A 48 10.910 -9.636 20.758 1.00 43.35 C ATOM 767 O ASP A 48 10.308 -10.473 21.428 1.00 34.22 O ATOM 768 CB ASP A 48 10.277 -7.311 21.430 1.00 12.45 C ATOM 769 CG ASP A 48 8.983 -7.894 21.964 1.00 51.44 C ATOM 770 OD1 ASP A 48 8.329 -8.661 21.226 1.00 2.01 O ATOM 771 OD2 ASP A 48 8.624 -7.583 23.119 1.00 64.23 O ATOM 0 H ASP A 48 12.434 -6.847 20.332 1.00 14.12 H new ATOM 0 HA ASP A 48 11.732 -8.552 22.408 1.00 32.44 H new ATOM 0 HB2 ASP A 48 10.578 -6.469 22.054 1.00 12.45 H new ATOM 0 HB3 ASP A 48 10.109 -6.920 20.427 1.00 12.45 H new ATOM 776 N ALA A 49 11.166 -9.793 19.463 1.00 60.11 N ATOM 777 CA ALA A 49 10.745 -10.987 18.741 1.00 61.32 C ATOM 778 C ALA A 49 11.682 -12.157 19.021 1.00 23.20 C ATOM 779 O ALA A 49 11.256 -13.312 19.057 1.00 64.41 O ATOM 780 CB ALA A 49 10.681 -10.706 17.247 1.00 43.30 C ATOM 0 H ALA A 49 11.663 -9.108 18.893 1.00 60.11 H new ATOM 0 HA ALA A 49 9.750 -11.260 19.091 1.00 61.32 H new ATOM 0 HB1 ALA A 49 10.365 -11.607 16.721 1.00 43.30 H new ATOM 0 HB2 ALA A 49 9.966 -9.905 17.058 1.00 43.30 H new ATOM 0 HB3 ALA A 49 11.666 -10.404 16.891 1.00 43.30 H new ATOM 786 N LEU A 50 12.960 -11.851 19.218 1.00 31.43 N ATOM 787 CA LEU A 50 13.958 -12.878 19.495 1.00 65.21 C ATOM 788 C LEU A 50 13.938 -13.275 20.968 1.00 61.05 C ATOM 789 O LEU A 50 13.941 -14.460 21.301 1.00 24.31 O ATOM 790 CB LEU A 50 15.352 -12.380 19.109 1.00 50.55 C ATOM 791 CG LEU A 50 15.663 -12.349 17.612 1.00 53.44 C ATOM 792 CD1 LEU A 50 17.085 -11.866 17.371 1.00 13.25 C ATOM 793 CD2 LEU A 50 15.453 -13.724 16.995 1.00 41.21 C ATOM 0 H LEU A 50 13.329 -10.901 19.191 1.00 31.43 H new ATOM 0 HA LEU A 50 13.714 -13.756 18.898 1.00 65.21 H new ATOM 0 HB2 LEU A 50 15.479 -11.373 19.507 1.00 50.55 H new ATOM 0 HB3 LEU A 50 16.091 -13.013 19.600 1.00 50.55 H new ATOM 0 HG LEU A 50 14.978 -11.649 17.133 1.00 53.44 H new ATOM 0 HD11 LEU A 50 17.288 -11.851 16.300 1.00 13.25 H new ATOM 0 HD12 LEU A 50 17.202 -10.861 17.777 1.00 13.25 H new ATOM 0 HD13 LEU A 50 17.786 -12.540 17.863 1.00 13.25 H new ATOM 0 HD21 LEU A 50 15.679 -13.683 15.929 1.00 41.21 H new ATOM 0 HD22 LEU A 50 16.113 -14.444 17.478 1.00 41.21 H new ATOM 0 HD23 LEU A 50 14.416 -14.031 17.135 1.00 41.21 H new ATOM 805 N ILE A 51 13.915 -12.276 21.844 1.00 60.43 N ATOM 806 CA ILE A 51 13.890 -12.522 23.280 1.00 5.43 C ATOM 807 C ILE A 51 12.784 -13.503 23.652 1.00 53.33 C ATOM 808 O ILE A 51 12.937 -14.308 24.570 1.00 72.41 O ATOM 809 CB ILE A 51 13.690 -11.215 24.071 1.00 33.31 C ATOM 810 CG1 ILE A 51 13.890 -11.464 25.567 1.00 2.55 C ATOM 811 CG2 ILE A 51 12.306 -10.642 23.804 1.00 30.14 C ATOM 812 CD1 ILE A 51 14.574 -10.320 26.283 1.00 24.03 C ATOM 0 H ILE A 51 13.913 -11.290 21.584 1.00 60.43 H new ATOM 0 HA ILE A 51 14.856 -12.953 23.543 1.00 5.43 H new ATOM 0 HB ILE A 51 14.433 -10.489 23.740 1.00 33.31 H new ATOM 0 HG12 ILE A 51 12.920 -11.644 26.030 1.00 2.55 H new ATOM 0 HG13 ILE A 51 14.480 -12.371 25.701 1.00 2.55 H new ATOM 0 HG21 ILE A 51 12.179 -9.719 24.370 1.00 30.14 H new ATOM 0 HG22 ILE A 51 12.198 -10.433 22.740 1.00 30.14 H new ATOM 0 HG23 ILE A 51 11.548 -11.363 24.111 1.00 30.14 H new ATOM 0 HD11 ILE A 51 14.683 -10.565 27.339 1.00 24.03 H new ATOM 0 HD12 ILE A 51 15.558 -10.154 25.846 1.00 24.03 H new ATOM 0 HD13 ILE A 51 13.974 -9.416 26.180 1.00 24.03 H new ATOM 824 N ARG A 52 11.670 -13.430 22.931 1.00 74.03 N ATOM 825 CA ARG A 52 10.537 -14.312 23.184 1.00 71.21 C ATOM 826 C ARG A 52 10.728 -15.656 22.486 1.00 14.22 C ATOM 827 O ARG A 52 10.467 -16.709 23.066 1.00 21.14 O ATOM 828 CB ARG A 52 9.238 -13.659 22.709 1.00 51.43 C ATOM 829 CG ARG A 52 8.733 -12.563 23.634 1.00 62.41 C ATOM 830 CD ARG A 52 8.314 -13.124 24.984 1.00 3.00 C ATOM 831 NE ARG A 52 6.883 -12.962 25.223 1.00 33.43 N ATOM 832 CZ ARG A 52 6.315 -13.117 26.414 1.00 35.20 C ATOM 833 NH1 ARG A 52 7.053 -13.435 27.468 1.00 30.43 N ATOM 834 NH2 ARG A 52 5.005 -12.953 26.552 1.00 20.21 N ATOM 0 H ARG A 52 11.528 -12.769 22.167 1.00 74.03 H new ATOM 0 HA ARG A 52 10.477 -14.485 24.259 1.00 71.21 H new ATOM 0 HB2 ARG A 52 9.394 -13.240 21.715 1.00 51.43 H new ATOM 0 HB3 ARG A 52 8.469 -14.426 22.615 1.00 51.43 H new ATOM 0 HG2 ARG A 52 9.514 -11.816 23.776 1.00 62.41 H new ATOM 0 HG3 ARG A 52 7.887 -12.056 23.171 1.00 62.41 H new ATOM 0 HD2 ARG A 52 8.572 -14.182 25.033 1.00 3.00 H new ATOM 0 HD3 ARG A 52 8.873 -12.622 25.774 1.00 3.00 H new ATOM 0 HE ARG A 52 6.287 -12.716 24.433 1.00 33.43 H new ATOM 0 HH11 ARG A 52 8.060 -13.561 27.366 1.00 30.43 H new ATOM 0 HH12 ARG A 52 6.614 -13.553 28.381 1.00 30.43 H new ATOM 0 HH21 ARG A 52 4.434 -12.708 25.743 1.00 20.21 H new ATOM 0 HH22 ARG A 52 4.570 -13.072 27.467 1.00 20.21 H new ATOM 848 N GLU A 53 11.183 -15.609 21.238 1.00 22.42 N ATOM 849 CA GLU A 53 11.407 -16.823 20.462 1.00 60.32 C ATOM 850 C GLU A 53 12.477 -17.695 21.112 1.00 65.21 C ATOM 851 O GLU A 53 12.217 -18.838 21.490 1.00 52.22 O ATOM 852 CB GLU A 53 11.820 -16.471 19.031 1.00 31.41 C ATOM 853 CG GLU A 53 11.588 -17.596 18.036 1.00 33.35 C ATOM 854 CD GLU A 53 11.801 -17.158 16.600 1.00 33.44 C ATOM 855 OE1 GLU A 53 12.972 -17.059 16.179 1.00 42.02 O ATOM 856 OE2 GLU A 53 10.797 -16.915 15.899 1.00 61.14 O ATOM 0 H GLU A 53 11.403 -14.745 20.743 1.00 22.42 H new ATOM 0 HA GLU A 53 10.473 -17.384 20.436 1.00 60.32 H new ATOM 0 HB2 GLU A 53 11.264 -15.591 18.708 1.00 31.41 H new ATOM 0 HB3 GLU A 53 12.876 -16.202 19.022 1.00 31.41 H new ATOM 0 HG2 GLU A 53 12.262 -18.422 18.264 1.00 33.35 H new ATOM 0 HG3 GLU A 53 10.572 -17.973 18.150 1.00 33.35 H new ATOM 863 N ILE A 54 13.682 -17.148 21.238 1.00 53.02 N ATOM 864 CA ILE A 54 14.791 -17.875 21.842 1.00 1.01 C ATOM 865 C ILE A 54 14.359 -18.564 23.132 1.00 4.54 C ATOM 866 O ILE A 54 14.908 -19.600 23.508 1.00 14.34 O ATOM 867 CB ILE A 54 15.978 -16.941 22.144 1.00 21.21 C ATOM 868 CG1 ILE A 54 16.478 -16.283 20.857 1.00 55.45 C ATOM 869 CG2 ILE A 54 17.101 -17.714 22.820 1.00 12.45 C ATOM 870 CD1 ILE A 54 17.569 -15.260 21.085 1.00 55.02 C ATOM 0 H ILE A 54 13.914 -16.204 20.930 1.00 53.02 H new ATOM 0 HA ILE A 54 15.106 -18.628 21.119 1.00 1.01 H new ATOM 0 HB ILE A 54 15.641 -16.158 22.823 1.00 21.21 H new ATOM 0 HG12 ILE A 54 16.851 -17.056 20.185 1.00 55.45 H new ATOM 0 HG13 ILE A 54 15.639 -15.801 20.355 1.00 55.45 H new ATOM 0 HG21 ILE A 54 17.933 -17.041 23.027 1.00 12.45 H new ATOM 0 HG22 ILE A 54 16.738 -18.140 23.755 1.00 12.45 H new ATOM 0 HG23 ILE A 54 17.438 -18.515 22.163 1.00 12.45 H new ATOM 0 HD11 ILE A 54 17.875 -14.835 20.129 1.00 55.02 H new ATOM 0 HD12 ILE A 54 17.194 -14.467 21.732 1.00 55.02 H new ATOM 0 HD13 ILE A 54 18.425 -15.740 21.559 1.00 55.02 H new ATOM 882 N ARG A 55 13.372 -17.982 23.806 1.00 43.55 N ATOM 883 CA ARG A 55 12.866 -18.539 25.054 1.00 71.33 C ATOM 884 C ARG A 55 12.568 -20.028 24.903 1.00 64.34 C ATOM 885 O ARG A 55 13.222 -20.867 25.522 1.00 33.01 O ATOM 886 CB ARG A 55 11.602 -17.798 25.493 1.00 40.21 C ATOM 887 CG ARG A 55 11.229 -18.038 26.947 1.00 42.23 C ATOM 888 CD ARG A 55 11.984 -17.102 27.877 1.00 4.33 C ATOM 889 NE ARG A 55 13.273 -17.656 28.284 1.00 70.23 N ATOM 890 CZ ARG A 55 14.110 -17.040 29.110 1.00 4.23 C ATOM 891 NH1 ARG A 55 13.796 -15.855 29.616 1.00 21.21 N ATOM 892 NH2 ARG A 55 15.265 -17.609 29.433 1.00 51.20 N ATOM 0 H ARG A 55 12.907 -17.124 23.508 1.00 43.55 H new ATOM 0 HA ARG A 55 13.635 -18.415 25.816 1.00 71.33 H new ATOM 0 HB2 ARG A 55 11.744 -16.729 25.335 1.00 40.21 H new ATOM 0 HB3 ARG A 55 10.771 -18.106 24.858 1.00 40.21 H new ATOM 0 HG2 ARG A 55 10.156 -17.895 27.077 1.00 42.23 H new ATOM 0 HG3 ARG A 55 11.447 -19.072 27.214 1.00 42.23 H new ATOM 0 HD2 ARG A 55 12.142 -16.146 27.379 1.00 4.33 H new ATOM 0 HD3 ARG A 55 11.379 -16.904 28.762 1.00 4.33 H new ATOM 0 HE ARG A 55 13.545 -18.566 27.913 1.00 70.23 H new ATOM 0 HH11 ARG A 55 12.909 -15.414 29.371 1.00 21.21 H new ATOM 0 HH12 ARG A 55 14.441 -15.384 30.250 1.00 21.21 H new ATOM 0 HH21 ARG A 55 15.510 -18.520 29.046 1.00 51.20 H new ATOM 0 HH22 ARG A 55 15.907 -17.135 30.068 1.00 51.20 H new ATOM 906 N GLU A 56 11.578 -20.348 24.076 1.00 51.35 N ATOM 907 CA GLU A 56 11.194 -21.735 23.845 1.00 74.31 C ATOM 908 C GLU A 56 11.893 -22.295 22.610 1.00 60.53 C ATOM 909 O GLU A 56 12.276 -23.464 22.578 1.00 25.20 O ATOM 910 CB GLU A 56 9.677 -21.847 23.680 1.00 35.11 C ATOM 911 CG GLU A 56 9.137 -23.244 23.939 1.00 44.21 C ATOM 912 CD GLU A 56 7.625 -23.310 23.854 1.00 32.32 C ATOM 913 OE1 GLU A 56 7.081 -23.082 22.754 1.00 60.24 O ATOM 914 OE2 GLU A 56 6.985 -23.591 24.890 1.00 41.05 O ATOM 0 H GLU A 56 11.027 -19.665 23.555 1.00 51.35 H new ATOM 0 HA GLU A 56 11.502 -22.319 24.712 1.00 74.31 H new ATOM 0 HB2 GLU A 56 9.193 -21.148 24.362 1.00 35.11 H new ATOM 0 HB3 GLU A 56 9.407 -21.544 22.668 1.00 35.11 H new ATOM 0 HG2 GLU A 56 9.568 -23.936 23.216 1.00 44.21 H new ATOM 0 HG3 GLU A 56 9.456 -23.576 24.927 1.00 44.21 H new ATOM 921 N GLU A 57 12.054 -21.452 21.595 1.00 63.23 N ATOM 922 CA GLU A 57 12.706 -21.864 20.357 1.00 40.42 C ATOM 923 C GLU A 57 14.073 -22.480 20.640 1.00 31.04 C ATOM 924 O GLU A 57 14.409 -23.540 20.113 1.00 51.33 O ATOM 925 CB GLU A 57 12.859 -20.669 19.413 1.00 1.34 C ATOM 926 CG GLU A 57 12.928 -21.057 17.946 1.00 45.30 C ATOM 927 CD GLU A 57 11.776 -21.947 17.523 1.00 64.21 C ATOM 928 OE1 GLU A 57 12.023 -22.927 16.789 1.00 24.32 O ATOM 929 OE2 GLU A 57 10.629 -21.664 17.925 1.00 75.42 O ATOM 0 H GLU A 57 11.742 -20.481 21.605 1.00 63.23 H new ATOM 0 HA GLU A 57 12.079 -22.617 19.880 1.00 40.42 H new ATOM 0 HB2 GLU A 57 12.019 -19.990 19.561 1.00 1.34 H new ATOM 0 HB3 GLU A 57 13.763 -20.121 19.678 1.00 1.34 H new ATOM 0 HG2 GLU A 57 12.928 -20.154 17.335 1.00 45.30 H new ATOM 0 HG3 GLU A 57 13.869 -21.572 17.754 1.00 45.30 H new ATOM 936 N MET A 58 14.857 -21.808 21.477 1.00 14.40 N ATOM 937 CA MET A 58 16.187 -22.289 21.831 1.00 34.25 C ATOM 938 C MET A 58 16.161 -23.024 23.168 1.00 14.42 C ATOM 939 O MET A 58 16.949 -23.940 23.400 1.00 30.33 O ATOM 940 CB MET A 58 17.174 -21.123 21.896 1.00 3.34 C ATOM 941 CG MET A 58 17.874 -20.845 20.576 1.00 42.11 C ATOM 942 SD MET A 58 19.469 -20.031 20.793 1.00 73.33 S ATOM 943 CE MET A 58 19.862 -19.600 19.099 1.00 33.13 C ATOM 0 H MET A 58 14.594 -20.929 21.923 1.00 14.40 H new ATOM 0 HA MET A 58 16.511 -22.987 21.059 1.00 34.25 H new ATOM 0 HB2 MET A 58 16.643 -20.225 22.212 1.00 3.34 H new ATOM 0 HB3 MET A 58 17.924 -21.335 22.658 1.00 3.34 H new ATOM 0 HG2 MET A 58 18.019 -21.784 20.042 1.00 42.11 H new ATOM 0 HG3 MET A 58 17.233 -20.220 19.954 1.00 42.11 H new ATOM 0 HE1 MET A 58 20.927 -19.750 18.923 1.00 33.13 H new ATOM 0 HE2 MET A 58 19.289 -20.232 18.420 1.00 33.13 H new ATOM 0 HE3 MET A 58 19.609 -18.555 18.921 1.00 33.13 H new ATOM 953 N LYS A 59 15.250 -22.615 24.045 1.00 13.10 N ATOM 954 CA LYS A 59 15.120 -23.234 25.359 1.00 74.13 C ATOM 955 C LYS A 59 16.347 -22.948 26.219 1.00 74.43 C ATOM 956 O LYS A 59 16.741 -23.771 27.046 1.00 4.11 O ATOM 957 CB LYS A 59 14.924 -24.745 25.216 1.00 63.20 C ATOM 958 CG LYS A 59 13.926 -25.130 24.138 1.00 34.33 C ATOM 959 CD LYS A 59 13.769 -26.638 24.036 1.00 31.24 C ATOM 960 CE LYS A 59 13.179 -27.225 25.310 1.00 42.40 C ATOM 961 NZ LYS A 59 12.813 -28.658 25.143 1.00 64.41 N ATOM 0 H LYS A 59 14.590 -21.857 23.869 1.00 13.10 H new ATOM 0 HA LYS A 59 14.247 -22.806 25.851 1.00 74.13 H new ATOM 0 HB2 LYS A 59 15.885 -25.208 24.992 1.00 63.20 H new ATOM 0 HB3 LYS A 59 14.590 -25.151 26.171 1.00 63.20 H new ATOM 0 HG2 LYS A 59 12.959 -24.677 24.357 1.00 34.33 H new ATOM 0 HG3 LYS A 59 14.254 -24.732 23.178 1.00 34.33 H new ATOM 0 HD2 LYS A 59 13.126 -26.881 23.190 1.00 31.24 H new ATOM 0 HD3 LYS A 59 14.740 -27.093 23.840 1.00 31.24 H new ATOM 0 HE2 LYS A 59 13.899 -27.126 26.122 1.00 42.40 H new ATOM 0 HE3 LYS A 59 12.295 -26.655 25.597 1.00 42.40 H new ATOM 0 HZ1 LYS A 59 12.415 -29.021 26.033 1.00 64.41 H new ATOM 0 HZ2 LYS A 59 12.107 -28.750 24.385 1.00 64.41 H new ATOM 0 HZ3 LYS A 59 13.661 -29.206 24.894 1.00 64.41 H new ATOM 975 N CYS A 60 16.944 -21.779 26.019 1.00 61.12 N ATOM 976 CA CYS A 60 18.126 -21.385 26.777 1.00 43.00 C ATOM 977 C CYS A 60 18.006 -19.944 27.261 1.00 2.41 C ATOM 978 O CYS A 60 16.959 -19.313 27.111 1.00 65.00 O ATOM 979 CB CYS A 60 19.383 -21.545 25.921 1.00 25.20 C ATOM 980 SG CYS A 60 19.523 -23.155 25.109 1.00 44.42 S ATOM 0 H CYS A 60 16.629 -21.087 25.339 1.00 61.12 H new ATOM 0 HA CYS A 60 18.203 -22.036 27.648 1.00 43.00 H new ATOM 0 HB2 CYS A 60 19.393 -20.764 25.160 1.00 25.20 H new ATOM 0 HB3 CYS A 60 20.260 -21.390 26.550 1.00 25.20 H new ATOM 0 HG CYS A 60 18.428 -23.408 24.455 1.00 44.42 H new ATOM 986 N ASP A 61 19.084 -19.429 27.843 1.00 35.15 N ATOM 987 CA ASP A 61 19.099 -18.062 28.351 1.00 41.13 C ATOM 988 C ASP A 61 19.945 -17.160 27.457 1.00 70.40 C ATOM 989 O ASP A 61 20.543 -16.190 27.924 1.00 61.01 O ATOM 990 CB ASP A 61 19.638 -18.032 29.782 1.00 72.41 C ATOM 991 CG ASP A 61 18.863 -18.946 30.711 1.00 12.21 C ATOM 992 OD1 ASP A 61 18.981 -20.181 30.564 1.00 12.43 O ATOM 993 OD2 ASP A 61 18.139 -18.426 31.586 1.00 60.03 O ATOM 0 H ASP A 61 19.958 -19.937 27.975 1.00 35.15 H new ATOM 0 HA ASP A 61 18.075 -17.689 28.349 1.00 41.13 H new ATOM 0 HB2 ASP A 61 20.687 -18.327 29.778 1.00 72.41 H new ATOM 0 HB3 ASP A 61 19.595 -17.011 30.162 1.00 72.41 H new ATOM 998 N LEU A 62 19.992 -17.487 26.170 1.00 34.43 N ATOM 999 CA LEU A 62 20.765 -16.708 25.210 1.00 4.12 C ATOM 1000 C LEU A 62 20.582 -15.213 25.449 1.00 4.45 C ATOM 1001 O LEU A 62 19.513 -14.659 25.190 1.00 5.12 O ATOM 1002 CB LEU A 62 20.348 -17.062 23.782 1.00 65.22 C ATOM 1003 CG LEU A 62 21.484 -17.219 22.770 1.00 5.23 C ATOM 1004 CD1 LEU A 62 22.155 -18.575 22.926 1.00 34.00 C ATOM 1005 CD2 LEU A 62 20.964 -17.039 21.352 1.00 41.33 C ATOM 0 H LEU A 62 19.503 -18.287 25.768 1.00 34.43 H new ATOM 0 HA LEU A 62 21.818 -16.953 25.346 1.00 4.12 H new ATOM 0 HB2 LEU A 62 19.782 -17.993 23.810 1.00 65.22 H new ATOM 0 HB3 LEU A 62 19.671 -16.288 23.420 1.00 65.22 H new ATOM 0 HG LEU A 62 22.227 -16.445 22.964 1.00 5.23 H new ATOM 0 HD11 LEU A 62 22.961 -18.668 22.198 1.00 34.00 H new ATOM 0 HD12 LEU A 62 22.564 -18.665 23.932 1.00 34.00 H new ATOM 0 HD13 LEU A 62 21.422 -19.365 22.760 1.00 34.00 H new ATOM 0 HD21 LEU A 62 21.786 -17.154 20.646 1.00 41.33 H new ATOM 0 HD22 LEU A 62 20.201 -17.790 21.146 1.00 41.33 H new ATOM 0 HD23 LEU A 62 20.532 -16.044 21.247 1.00 41.33 H new ATOM 1017 N ILE A 63 21.632 -14.565 25.943 1.00 2.12 N ATOM 1018 CA ILE A 63 21.588 -13.133 26.214 1.00 71.32 C ATOM 1019 C ILE A 63 21.987 -12.328 24.982 1.00 74.34 C ATOM 1020 O ILE A 63 22.772 -12.789 24.153 1.00 74.21 O ATOM 1021 CB ILE A 63 22.514 -12.753 27.384 1.00 43.52 C ATOM 1022 CG1 ILE A 63 22.278 -13.684 28.574 1.00 30.31 C ATOM 1023 CG2 ILE A 63 22.290 -11.303 27.786 1.00 3.45 C ATOM 1024 CD1 ILE A 63 23.261 -14.832 28.648 1.00 51.32 C ATOM 0 H ILE A 63 22.523 -15.009 26.164 1.00 2.12 H new ATOM 0 HA ILE A 63 20.559 -12.894 26.483 1.00 71.32 H new ATOM 0 HB ILE A 63 23.549 -12.865 27.060 1.00 43.52 H new ATOM 0 HG12 ILE A 63 22.338 -13.105 29.495 1.00 30.31 H new ATOM 0 HG13 ILE A 63 21.266 -14.086 28.516 1.00 30.31 H new ATOM 0 HG21 ILE A 63 22.951 -11.049 28.614 1.00 3.45 H new ATOM 0 HG22 ILE A 63 22.504 -10.653 26.938 1.00 3.45 H new ATOM 0 HG23 ILE A 63 21.253 -11.167 28.095 1.00 3.45 H new ATOM 0 HD11 ILE A 63 23.033 -15.451 29.516 1.00 51.32 H new ATOM 0 HD12 ILE A 63 23.185 -15.435 27.743 1.00 51.32 H new ATOM 0 HD13 ILE A 63 24.274 -14.439 28.738 1.00 51.32 H new ATOM 1036 N VAL A 64 21.441 -11.121 24.868 1.00 23.31 N ATOM 1037 CA VAL A 64 21.742 -10.250 23.739 1.00 41.34 C ATOM 1038 C VAL A 64 22.524 -9.020 24.186 1.00 23.13 C ATOM 1039 O VAL A 64 22.361 -8.542 25.308 1.00 25.43 O ATOM 1040 CB VAL A 64 20.456 -9.794 23.023 1.00 24.32 C ATOM 1041 CG1 VAL A 64 19.596 -8.953 23.954 1.00 25.11 C ATOM 1042 CG2 VAL A 64 20.796 -9.024 21.756 1.00 5.34 C ATOM 0 H VAL A 64 20.788 -10.725 25.544 1.00 23.31 H new ATOM 0 HA VAL A 64 22.350 -10.831 23.045 1.00 41.34 H new ATOM 0 HB VAL A 64 19.885 -10.678 22.740 1.00 24.32 H new ATOM 0 HG11 VAL A 64 18.692 -8.640 23.431 1.00 25.11 H new ATOM 0 HG12 VAL A 64 19.323 -9.543 24.829 1.00 25.11 H new ATOM 0 HG13 VAL A 64 20.156 -8.073 24.270 1.00 25.11 H new ATOM 0 HG21 VAL A 64 19.876 -8.710 21.263 1.00 5.34 H new ATOM 0 HG22 VAL A 64 21.389 -8.146 22.012 1.00 5.34 H new ATOM 0 HG23 VAL A 64 21.367 -9.664 21.084 1.00 5.34 H new ATOM 1052 N GLY A 65 23.375 -8.511 23.300 1.00 72.21 N ATOM 1053 CA GLY A 65 24.170 -7.341 23.622 1.00 11.31 C ATOM 1054 C GLY A 65 23.546 -6.057 23.111 1.00 70.30 C ATOM 1055 O GLY A 65 22.777 -5.408 23.820 1.00 42.41 O ATOM 0 H GLY A 65 23.528 -8.889 22.365 1.00 72.21 H new ATOM 0 HA2 GLY A 65 24.294 -7.276 24.703 1.00 11.31 H new ATOM 0 HA3 GLY A 65 25.166 -7.453 23.193 1.00 11.31 H new ATOM 1059 N ASP A 66 23.878 -5.690 21.878 1.00 21.13 N ATOM 1060 CA ASP A 66 23.345 -4.475 21.273 1.00 64.02 C ATOM 1061 C ASP A 66 23.012 -4.702 19.802 1.00 72.23 C ATOM 1062 O ASP A 66 23.217 -5.793 19.269 1.00 55.05 O ATOM 1063 CB ASP A 66 24.349 -3.329 21.410 1.00 70.00 C ATOM 1064 CG ASP A 66 24.040 -2.427 22.589 1.00 64.21 C ATOM 1065 OD1 ASP A 66 24.771 -2.501 23.599 1.00 34.30 O ATOM 1066 OD2 ASP A 66 23.068 -1.648 22.502 1.00 42.02 O ATOM 0 H ASP A 66 24.513 -6.216 21.278 1.00 21.13 H new ATOM 0 HA ASP A 66 22.428 -4.209 21.798 1.00 64.02 H new ATOM 0 HB2 ASP A 66 25.352 -3.740 21.524 1.00 70.00 H new ATOM 0 HB3 ASP A 66 24.349 -2.738 20.494 1.00 70.00 H new ATOM 1071 N LYS A 67 22.496 -3.665 19.150 1.00 34.54 N ATOM 1072 CA LYS A 67 22.133 -3.750 17.741 1.00 61.33 C ATOM 1073 C LYS A 67 23.378 -3.792 16.860 1.00 0.43 C ATOM 1074 O LYS A 67 24.352 -3.081 17.111 1.00 55.23 O ATOM 1075 CB LYS A 67 21.256 -2.560 17.346 1.00 34.20 C ATOM 1076 CG LYS A 67 20.834 -2.573 15.887 1.00 73.00 C ATOM 1077 CD LYS A 67 19.645 -3.491 15.658 1.00 31.33 C ATOM 1078 CE LYS A 67 19.142 -3.406 14.225 1.00 23.02 C ATOM 1079 NZ LYS A 67 18.172 -2.291 14.043 1.00 33.33 N ATOM 0 H LYS A 67 22.320 -2.755 19.576 1.00 34.54 H new ATOM 0 HA LYS A 67 21.572 -4.672 17.591 1.00 61.33 H new ATOM 0 HB2 LYS A 67 20.365 -2.552 17.973 1.00 34.20 H new ATOM 0 HB3 LYS A 67 21.798 -1.637 17.551 1.00 34.20 H new ATOM 0 HG2 LYS A 67 20.579 -1.561 15.572 1.00 73.00 H new ATOM 0 HG3 LYS A 67 21.670 -2.898 15.268 1.00 73.00 H new ATOM 0 HD2 LYS A 67 19.929 -4.519 15.885 1.00 31.33 H new ATOM 0 HD3 LYS A 67 18.841 -3.224 16.343 1.00 31.33 H new ATOM 0 HE2 LYS A 67 19.987 -3.266 13.551 1.00 23.02 H new ATOM 0 HE3 LYS A 67 18.668 -4.348 13.950 1.00 23.02 H new ATOM 0 HZ1 LYS A 67 17.213 -2.679 13.937 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 18.203 -1.665 14.873 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 18.422 -1.749 13.191 1.00 33.33 H new ATOM 1093 N VAL A 68 23.340 -4.627 15.827 1.00 35.54 N ATOM 1094 CA VAL A 68 24.464 -4.759 14.908 1.00 34.22 C ATOM 1095 C VAL A 68 24.385 -3.724 13.792 1.00 1.52 C ATOM 1096 O VAL A 68 25.255 -2.861 13.670 1.00 65.00 O ATOM 1097 CB VAL A 68 24.517 -6.167 14.285 1.00 52.43 C ATOM 1098 CG1 VAL A 68 25.665 -6.268 13.292 1.00 12.00 C ATOM 1099 CG2 VAL A 68 24.644 -7.225 15.370 1.00 63.12 C ATOM 0 H VAL A 68 22.542 -5.223 15.605 1.00 35.54 H new ATOM 0 HA VAL A 68 25.371 -4.593 15.490 1.00 34.22 H new ATOM 0 HB VAL A 68 23.586 -6.343 13.746 1.00 52.43 H new ATOM 0 HG11 VAL A 68 25.687 -7.269 12.862 1.00 12.00 H new ATOM 0 HG12 VAL A 68 25.525 -5.535 12.498 1.00 12.00 H new ATOM 0 HG13 VAL A 68 26.607 -6.072 13.804 1.00 12.00 H new ATOM 0 HG21 VAL A 68 24.680 -8.213 14.912 1.00 63.12 H new ATOM 0 HG22 VAL A 68 25.558 -7.055 15.939 1.00 63.12 H new ATOM 0 HG23 VAL A 68 23.785 -7.166 16.038 1.00 63.12 H new ATOM 1109 N ILE A 69 23.337 -3.814 12.981 1.00 71.42 N ATOM 1110 CA ILE A 69 23.144 -2.884 11.876 1.00 41.04 C ATOM 1111 C ILE A 69 21.819 -3.140 11.166 1.00 33.12 C ATOM 1112 O ILE A 69 21.292 -4.253 11.192 1.00 63.20 O ATOM 1113 CB ILE A 69 24.289 -2.982 10.851 1.00 64.24 C ATOM 1114 CG1 ILE A 69 24.248 -1.791 9.891 1.00 1.14 C ATOM 1115 CG2 ILE A 69 24.201 -4.292 10.082 1.00 41.25 C ATOM 1116 CD1 ILE A 69 25.609 -1.393 9.363 1.00 14.02 C ATOM 0 H ILE A 69 22.608 -4.522 13.068 1.00 71.42 H new ATOM 0 HA ILE A 69 23.136 -1.882 12.305 1.00 41.04 H new ATOM 0 HB ILE A 69 25.238 -2.960 11.386 1.00 64.24 H new ATOM 0 HG12 ILE A 69 23.598 -2.034 9.050 1.00 1.14 H new ATOM 0 HG13 ILE A 69 23.802 -0.938 10.402 1.00 1.14 H new ATOM 0 HG21 ILE A 69 25.017 -4.346 9.361 1.00 41.25 H new ATOM 0 HG22 ILE A 69 24.275 -5.128 10.778 1.00 41.25 H new ATOM 0 HG23 ILE A 69 23.248 -4.341 9.555 1.00 41.25 H new ATOM 0 HD11 ILE A 69 25.503 -0.543 8.689 1.00 14.02 H new ATOM 0 HD12 ILE A 69 26.256 -1.118 10.196 1.00 14.02 H new ATOM 0 HD13 ILE A 69 26.049 -2.231 8.823 1.00 14.02 H new ATOM 1128 N THR A 70 21.284 -2.102 10.530 1.00 34.35 N ATOM 1129 CA THR A 70 20.020 -2.214 9.813 1.00 61.32 C ATOM 1130 C THR A 70 20.243 -2.217 8.305 1.00 53.12 C ATOM 1131 O THR A 70 20.977 -1.384 7.773 1.00 3.41 O ATOM 1132 CB THR A 70 19.063 -1.063 10.177 1.00 23.41 C ATOM 1133 OG1 THR A 70 19.017 -0.896 11.598 1.00 31.25 O ATOM 1134 CG2 THR A 70 17.663 -1.335 9.647 1.00 24.44 C ATOM 0 H THR A 70 21.707 -1.174 10.497 1.00 34.35 H new ATOM 0 HA THR A 70 19.569 -3.160 10.113 1.00 61.32 H new ATOM 0 HB THR A 70 19.437 -0.149 9.716 1.00 23.41 H new ATOM 0 HG1 THR A 70 18.408 -0.161 11.822 1.00 31.25 H new ATOM 0 HG21 THR A 70 17.005 -0.509 9.916 1.00 24.44 H new ATOM 0 HG22 THR A 70 17.697 -1.433 8.562 1.00 24.44 H new ATOM 0 HG23 THR A 70 17.282 -2.259 10.083 1.00 24.44 H new ATOM 1142 N THR A 71 19.603 -3.159 7.618 1.00 2.13 N ATOM 1143 CA THR A 71 19.732 -3.270 6.171 1.00 73.11 C ATOM 1144 C THR A 71 18.367 -3.420 5.508 1.00 44.24 C ATOM 1145 O THR A 71 17.421 -3.912 6.120 1.00 33.31 O ATOM 1146 CB THR A 71 20.616 -4.468 5.776 1.00 41.21 C ATOM 1147 OG1 THR A 71 21.421 -4.871 6.890 1.00 74.14 O ATOM 1148 CG2 THR A 71 21.512 -4.114 4.598 1.00 10.14 C ATOM 0 H THR A 71 18.990 -3.856 8.041 1.00 2.13 H new ATOM 0 HA THR A 71 20.203 -2.350 5.824 1.00 73.11 H new ATOM 0 HB THR A 71 19.965 -5.291 5.482 1.00 41.21 H new ATOM 0 HG1 THR A 71 21.943 -5.664 6.647 1.00 74.14 H new ATOM 0 HG21 THR A 71 22.127 -4.975 4.337 1.00 10.14 H new ATOM 0 HG22 THR A 71 20.896 -3.836 3.743 1.00 10.14 H new ATOM 0 HG23 THR A 71 22.156 -3.277 4.869 1.00 10.14 H new ATOM 1156 N GLU A 72 18.275 -2.992 4.252 1.00 33.22 N ATOM 1157 CA GLU A 72 17.025 -3.079 3.507 1.00 75.43 C ATOM 1158 C GLU A 72 17.291 -3.322 2.024 1.00 41.11 C ATOM 1159 O GLU A 72 18.288 -2.851 1.476 1.00 63.13 O ATOM 1160 CB GLU A 72 16.207 -1.798 3.686 1.00 23.33 C ATOM 1161 CG GLU A 72 15.960 -1.433 5.140 1.00 35.33 C ATOM 1162 CD GLU A 72 15.259 -0.098 5.295 1.00 14.42 C ATOM 1163 OE1 GLU A 72 14.255 0.132 4.588 1.00 3.12 O ATOM 1164 OE2 GLU A 72 15.714 0.718 6.124 1.00 31.13 O ATOM 0 H GLU A 72 19.050 -2.582 3.731 1.00 33.22 H new ATOM 0 HA GLU A 72 16.457 -3.922 3.900 1.00 75.43 H new ATOM 0 HB2 GLU A 72 16.726 -0.974 3.196 1.00 23.33 H new ATOM 0 HB3 GLU A 72 15.248 -1.916 3.182 1.00 23.33 H new ATOM 0 HG2 GLU A 72 15.358 -2.212 5.609 1.00 35.33 H new ATOM 0 HG3 GLU A 72 16.912 -1.403 5.670 1.00 35.33 H new ATOM 1171 N HIS A 73 16.393 -4.061 1.380 1.00 13.51 N ATOM 1172 CA HIS A 73 16.530 -4.366 -0.039 1.00 61.34 C ATOM 1173 C HIS A 73 15.162 -4.482 -0.705 1.00 61.21 C ATOM 1174 O HIS A 73 14.176 -4.835 -0.059 1.00 70.55 O ATOM 1175 CB HIS A 73 17.314 -5.665 -0.229 1.00 43.04 C ATOM 1176 CG HIS A 73 18.626 -5.684 0.494 1.00 34.10 C ATOM 1177 ND1 HIS A 73 19.829 -5.416 -0.123 1.00 3.44 N ATOM 1178 CD2 HIS A 73 18.918 -5.940 1.791 1.00 74.23 C ATOM 1179 CE1 HIS A 73 20.805 -5.507 0.763 1.00 23.50 C ATOM 1180 NE2 HIS A 73 20.279 -5.824 1.932 1.00 34.31 N ATOM 0 H HIS A 73 15.563 -4.459 1.819 1.00 13.51 H new ATOM 0 HA HIS A 73 17.075 -3.548 -0.510 1.00 61.34 H new ATOM 0 HB2 HIS A 73 16.706 -6.501 0.117 1.00 43.04 H new ATOM 0 HB3 HIS A 73 17.493 -5.820 -1.293 1.00 43.04 H new ATOM 0 HD1 HIS A 73 19.947 -5.184 -1.109 1.00 3.44 H new ATOM 0 HD2 HIS A 73 18.212 -6.189 2.570 1.00 74.23 H new ATOM 0 HE1 HIS A 73 21.855 -5.349 0.565 1.00 23.50 H new ATOM 1188 N GLU A 74 15.111 -4.181 -1.999 1.00 24.40 N ATOM 1189 CA GLU A 74 13.864 -4.251 -2.750 1.00 53.34 C ATOM 1190 C GLU A 74 13.506 -5.697 -3.080 1.00 25.33 C ATOM 1191 O GLU A 74 14.360 -6.479 -3.500 1.00 3.33 O ATOM 1192 CB GLU A 74 13.973 -3.435 -4.040 1.00 41.40 C ATOM 1193 CG GLU A 74 14.785 -4.119 -5.126 1.00 65.14 C ATOM 1194 CD GLU A 74 14.882 -3.290 -6.392 1.00 70.15 C ATOM 1195 OE1 GLU A 74 15.961 -3.292 -7.021 1.00 43.20 O ATOM 1196 OE2 GLU A 74 13.879 -2.640 -6.755 1.00 3.05 O ATOM 0 H GLU A 74 15.919 -3.887 -2.548 1.00 24.40 H new ATOM 0 HA GLU A 74 13.073 -3.832 -2.128 1.00 53.34 H new ATOM 0 HB2 GLU A 74 12.971 -3.235 -4.419 1.00 41.40 H new ATOM 0 HB3 GLU A 74 14.426 -2.470 -3.812 1.00 41.40 H new ATOM 0 HG2 GLU A 74 15.788 -4.321 -4.751 1.00 65.14 H new ATOM 0 HG3 GLU A 74 14.332 -5.082 -5.361 1.00 65.14 H new ATOM 1203 N TYR A 75 12.240 -6.046 -2.885 1.00 73.35 N ATOM 1204 CA TYR A 75 11.769 -7.399 -3.158 1.00 62.15 C ATOM 1205 C TYR A 75 10.769 -7.406 -4.310 1.00 55.11 C ATOM 1206 O TYR A 75 10.606 -6.407 -5.012 1.00 33.43 O ATOM 1207 CB TYR A 75 11.128 -8.001 -1.907 1.00 55.31 C ATOM 1208 CG TYR A 75 11.730 -9.325 -1.495 1.00 11.24 C ATOM 1209 CD1 TYR A 75 11.069 -10.520 -1.749 1.00 72.32 C ATOM 1210 CD2 TYR A 75 12.959 -9.381 -0.850 1.00 2.43 C ATOM 1211 CE1 TYR A 75 11.615 -11.732 -1.374 1.00 32.54 C ATOM 1212 CE2 TYR A 75 13.513 -10.588 -0.472 1.00 24.31 C ATOM 1213 CZ TYR A 75 12.837 -11.761 -0.736 1.00 24.32 C ATOM 1214 OH TYR A 75 13.386 -12.966 -0.360 1.00 35.13 O ATOM 0 H TYR A 75 11.521 -5.411 -2.539 1.00 73.35 H new ATOM 0 HA TYR A 75 12.629 -8.005 -3.444 1.00 62.15 H new ATOM 0 HB2 TYR A 75 11.227 -7.295 -1.083 1.00 55.31 H new ATOM 0 HB3 TYR A 75 10.061 -8.136 -2.085 1.00 55.31 H new ATOM 0 HD1 TYR A 75 10.112 -10.501 -2.248 1.00 72.32 H new ATOM 0 HD2 TYR A 75 13.491 -8.464 -0.641 1.00 2.43 H new ATOM 0 HE1 TYR A 75 11.088 -12.652 -1.579 1.00 32.54 H new ATOM 0 HE2 TYR A 75 14.470 -10.613 0.028 1.00 24.31 H new ATOM 0 HH TYR A 75 14.250 -12.810 0.076 1.00 35.13 H new ATOM 1224 N ASP A 76 10.100 -8.539 -4.498 1.00 4.43 N ATOM 1225 CA ASP A 76 9.114 -8.677 -5.563 1.00 14.24 C ATOM 1226 C ASP A 76 8.088 -7.549 -5.503 1.00 31.22 C ATOM 1227 O ASP A 76 7.874 -6.838 -6.485 1.00 10.24 O ATOM 1228 CB ASP A 76 8.409 -10.030 -5.461 1.00 74.30 C ATOM 1229 CG ASP A 76 8.955 -11.043 -6.448 1.00 21.33 C ATOM 1230 OD1 ASP A 76 9.291 -12.167 -6.020 1.00 24.45 O ATOM 1231 OD2 ASP A 76 9.046 -10.712 -7.648 1.00 73.32 O ATOM 0 H ASP A 76 10.223 -9.375 -3.926 1.00 4.43 H new ATOM 0 HA ASP A 76 9.636 -8.619 -6.518 1.00 14.24 H new ATOM 0 HB2 ASP A 76 8.519 -10.418 -4.448 1.00 74.30 H new ATOM 0 HB3 ASP A 76 7.342 -9.895 -5.637 1.00 74.30 H new ATOM 1236 N PHE A 77 7.455 -7.392 -4.345 1.00 24.54 N ATOM 1237 CA PHE A 77 6.450 -6.353 -4.157 1.00 42.21 C ATOM 1238 C PHE A 77 6.723 -5.555 -2.885 1.00 63.41 C ATOM 1239 O PHE A 77 6.287 -4.413 -2.750 1.00 4.11 O ATOM 1240 CB PHE A 77 5.052 -6.971 -4.095 1.00 11.12 C ATOM 1241 CG PHE A 77 4.737 -7.860 -5.263 1.00 60.34 C ATOM 1242 CD1 PHE A 77 4.363 -9.180 -5.066 1.00 10.32 C ATOM 1243 CD2 PHE A 77 4.816 -7.377 -6.560 1.00 34.04 C ATOM 1244 CE1 PHE A 77 4.072 -10.001 -6.139 1.00 41.20 C ATOM 1245 CE2 PHE A 77 4.526 -8.193 -7.637 1.00 35.24 C ATOM 1246 CZ PHE A 77 4.155 -9.507 -7.426 1.00 54.02 C ATOM 0 H PHE A 77 7.621 -7.972 -3.522 1.00 24.54 H new ATOM 0 HA PHE A 77 6.502 -5.674 -5.008 1.00 42.21 H new ATOM 0 HB2 PHE A 77 4.959 -7.547 -3.175 1.00 11.12 H new ATOM 0 HB3 PHE A 77 4.312 -6.172 -4.047 1.00 11.12 H new ATOM 0 HD1 PHE A 77 4.298 -9.572 -4.062 1.00 10.32 H new ATOM 0 HD2 PHE A 77 5.108 -6.351 -6.731 1.00 34.04 H new ATOM 0 HE1 PHE A 77 3.780 -11.027 -5.971 1.00 41.20 H new ATOM 0 HE2 PHE A 77 4.589 -7.804 -8.642 1.00 35.24 H new ATOM 0 HZ PHE A 77 3.930 -10.147 -8.266 1.00 54.02 H new ATOM 1256 N GLY A 78 7.448 -6.168 -1.954 1.00 3.22 N ATOM 1257 CA GLY A 78 7.767 -5.502 -0.705 1.00 11.44 C ATOM 1258 C GLY A 78 9.256 -5.282 -0.528 1.00 23.53 C ATOM 1259 O GLY A 78 10.022 -5.371 -1.488 1.00 54.24 O ATOM 0 H GLY A 78 7.820 -7.114 -2.043 1.00 3.22 H new ATOM 0 HA2 GLY A 78 7.254 -4.541 -0.668 1.00 11.44 H new ATOM 0 HA3 GLY A 78 7.390 -6.097 0.127 1.00 11.44 H new ATOM 1263 N ILE A 79 9.668 -4.994 0.702 1.00 24.52 N ATOM 1264 CA ILE A 79 11.076 -4.761 1.001 1.00 71.53 C ATOM 1265 C ILE A 79 11.544 -5.635 2.160 1.00 60.25 C ATOM 1266 O ILE A 79 10.888 -5.711 3.198 1.00 20.25 O ATOM 1267 CB ILE A 79 11.341 -3.284 1.347 1.00 60.34 C ATOM 1268 CG1 ILE A 79 11.485 -2.456 0.068 1.00 62.40 C ATOM 1269 CG2 ILE A 79 12.588 -3.158 2.209 1.00 13.14 C ATOM 1270 CD1 ILE A 79 10.210 -2.366 -0.741 1.00 31.35 C ATOM 0 H ILE A 79 9.047 -4.916 1.508 1.00 24.52 H new ATOM 0 HA ILE A 79 11.637 -5.022 0.103 1.00 71.53 H new ATOM 0 HB ILE A 79 10.492 -2.900 1.912 1.00 60.34 H new ATOM 0 HG12 ILE A 79 11.810 -1.450 0.331 1.00 62.40 H new ATOM 0 HG13 ILE A 79 12.269 -2.893 -0.551 1.00 62.40 H new ATOM 0 HG21 ILE A 79 12.762 -2.108 2.445 1.00 13.14 H new ATOM 0 HG22 ILE A 79 12.450 -3.720 3.133 1.00 13.14 H new ATOM 0 HG23 ILE A 79 13.446 -3.555 1.667 1.00 13.14 H new ATOM 0 HD11 ILE A 79 10.387 -1.765 -1.633 1.00 31.35 H new ATOM 0 HD12 ILE A 79 9.894 -3.367 -1.035 1.00 31.35 H new ATOM 0 HD13 ILE A 79 9.429 -1.902 -0.139 1.00 31.35 H new ATOM 1282 N VAL A 80 12.684 -6.293 1.975 1.00 45.33 N ATOM 1283 CA VAL A 80 13.243 -7.159 3.006 1.00 61.33 C ATOM 1284 C VAL A 80 14.243 -6.405 3.875 1.00 35.04 C ATOM 1285 O VAL A 80 15.153 -5.751 3.367 1.00 2.33 O ATOM 1286 CB VAL A 80 13.939 -8.387 2.390 1.00 64.42 C ATOM 1287 CG1 VAL A 80 15.091 -7.956 1.495 1.00 2.41 C ATOM 1288 CG2 VAL A 80 14.426 -9.327 3.483 1.00 73.24 C ATOM 0 H VAL A 80 13.239 -6.243 1.120 1.00 45.33 H new ATOM 0 HA VAL A 80 12.410 -7.494 3.624 1.00 61.33 H new ATOM 0 HB VAL A 80 13.215 -8.923 1.776 1.00 64.42 H new ATOM 0 HG11 VAL A 80 15.570 -8.837 1.069 1.00 2.41 H new ATOM 0 HG12 VAL A 80 14.711 -7.325 0.691 1.00 2.41 H new ATOM 0 HG13 VAL A 80 15.818 -7.396 2.083 1.00 2.41 H new ATOM 0 HG21 VAL A 80 14.915 -10.189 3.030 1.00 73.24 H new ATOM 0 HG22 VAL A 80 15.135 -8.803 4.124 1.00 73.24 H new ATOM 0 HG23 VAL A 80 13.577 -9.663 4.079 1.00 73.24 H new ATOM 1298 N ARG A 81 14.066 -6.501 5.189 1.00 23.41 N ATOM 1299 CA ARG A 81 14.953 -5.827 6.130 1.00 35.53 C ATOM 1300 C ARG A 81 15.579 -6.827 7.099 1.00 54.14 C ATOM 1301 O ARG A 81 14.880 -7.464 7.889 1.00 40.55 O ATOM 1302 CB ARG A 81 14.185 -4.758 6.910 1.00 62.01 C ATOM 1303 CG ARG A 81 13.213 -3.962 6.055 1.00 12.43 C ATOM 1304 CD ARG A 81 12.421 -2.968 6.891 1.00 32.53 C ATOM 1305 NE ARG A 81 13.253 -1.867 7.368 1.00 64.34 N ATOM 1306 CZ ARG A 81 12.783 -0.836 8.060 1.00 35.23 C ATOM 1307 NH1 ARG A 81 11.492 -0.766 8.356 1.00 20.02 N ATOM 1308 NH2 ARG A 81 13.603 0.127 8.459 1.00 43.22 N ATOM 0 H ARG A 81 13.317 -7.038 5.626 1.00 23.41 H new ATOM 0 HA ARG A 81 15.751 -5.350 5.561 1.00 35.53 H new ATOM 0 HB2 ARG A 81 13.635 -5.236 7.721 1.00 62.01 H new ATOM 0 HB3 ARG A 81 14.898 -4.073 7.369 1.00 62.01 H new ATOM 0 HG2 ARG A 81 13.762 -3.430 5.278 1.00 12.43 H new ATOM 0 HG3 ARG A 81 12.527 -4.643 5.551 1.00 12.43 H new ATOM 0 HD2 ARG A 81 11.598 -2.570 6.297 1.00 32.53 H new ATOM 0 HD3 ARG A 81 11.978 -3.483 7.743 1.00 32.53 H new ATOM 0 HE ARG A 81 14.251 -1.891 7.158 1.00 64.34 H new ATOM 0 HH11 ARG A 81 10.858 -1.505 8.052 1.00 20.02 H new ATOM 0 HH12 ARG A 81 11.133 0.027 8.888 1.00 20.02 H new ATOM 0 HH21 ARG A 81 14.597 0.076 8.234 1.00 43.22 H new ATOM 0 HH22 ARG A 81 13.240 0.918 8.991 1.00 43.22 H new ATOM 1322 N LEU A 82 16.899 -6.960 7.032 1.00 74.25 N ATOM 1323 CA LEU A 82 17.620 -7.883 7.902 1.00 53.42 C ATOM 1324 C LEU A 82 18.170 -7.158 9.126 1.00 23.31 C ATOM 1325 O LEU A 82 18.783 -6.097 9.010 1.00 44.40 O ATOM 1326 CB LEU A 82 18.761 -8.552 7.134 1.00 5.55 C ATOM 1327 CG LEU A 82 19.149 -9.956 7.598 1.00 71.44 C ATOM 1328 CD1 LEU A 82 19.655 -9.925 9.031 1.00 22.13 C ATOM 1329 CD2 LEU A 82 17.967 -10.906 7.468 1.00 14.41 C ATOM 0 H LEU A 82 17.492 -6.441 6.385 1.00 74.25 H new ATOM 0 HA LEU A 82 16.921 -8.648 8.240 1.00 53.42 H new ATOM 0 HB2 LEU A 82 18.483 -8.603 6.081 1.00 5.55 H new ATOM 0 HB3 LEU A 82 19.641 -7.913 7.201 1.00 5.55 H new ATOM 0 HG LEU A 82 19.954 -10.319 6.959 1.00 71.44 H new ATOM 0 HD11 LEU A 82 19.926 -10.934 9.343 1.00 22.13 H new ATOM 0 HD12 LEU A 82 20.530 -9.278 9.094 1.00 22.13 H new ATOM 0 HD13 LEU A 82 18.872 -9.541 9.685 1.00 22.13 H new ATOM 0 HD21 LEU A 82 18.261 -11.901 7.803 1.00 14.41 H new ATOM 0 HD22 LEU A 82 17.142 -10.546 8.082 1.00 14.41 H new ATOM 0 HD23 LEU A 82 17.651 -10.953 6.426 1.00 14.41 H new ATOM 1341 N THR A 83 17.949 -7.740 10.301 1.00 64.42 N ATOM 1342 CA THR A 83 18.424 -7.152 11.547 1.00 51.33 C ATOM 1343 C THR A 83 19.091 -8.199 12.431 1.00 72.22 C ATOM 1344 O THR A 83 18.465 -9.183 12.827 1.00 73.24 O ATOM 1345 CB THR A 83 17.273 -6.492 12.330 1.00 24.14 C ATOM 1346 OG1 THR A 83 17.186 -5.103 11.995 1.00 14.20 O ATOM 1347 CG2 THR A 83 17.482 -6.645 13.829 1.00 3.04 C ATOM 0 H THR A 83 17.444 -8.619 10.415 1.00 64.42 H new ATOM 0 HA THR A 83 19.155 -6.390 11.278 1.00 51.33 H new ATOM 0 HB THR A 83 16.343 -6.990 12.056 1.00 24.14 H new ATOM 0 HG1 THR A 83 16.451 -4.691 12.496 1.00 14.20 H new ATOM 0 HG21 THR A 83 16.657 -6.171 14.362 1.00 3.04 H new ATOM 0 HG22 THR A 83 17.519 -7.704 14.085 1.00 3.04 H new ATOM 0 HG23 THR A 83 18.420 -6.169 14.116 1.00 3.04 H new ATOM 1355 N THR A 84 20.366 -7.982 12.739 1.00 73.21 N ATOM 1356 CA THR A 84 21.118 -8.908 13.576 1.00 11.13 C ATOM 1357 C THR A 84 21.445 -8.284 14.928 1.00 23.43 C ATOM 1358 O THR A 84 21.525 -7.062 15.056 1.00 32.44 O ATOM 1359 CB THR A 84 22.428 -9.345 12.894 1.00 2.53 C ATOM 1360 OG1 THR A 84 23.135 -8.197 12.410 1.00 13.24 O ATOM 1361 CG2 THR A 84 22.147 -10.297 11.742 1.00 42.44 C ATOM 0 H THR A 84 20.899 -7.173 12.421 1.00 73.21 H new ATOM 0 HA THR A 84 20.486 -9.784 13.726 1.00 11.13 H new ATOM 0 HB THR A 84 23.040 -9.864 13.632 1.00 2.53 H new ATOM 0 HG1 THR A 84 23.249 -8.268 11.439 1.00 13.24 H new ATOM 0 HG21 THR A 84 23.087 -10.592 11.276 1.00 42.44 H new ATOM 0 HG22 THR A 84 21.635 -11.183 12.118 1.00 42.44 H new ATOM 0 HG23 THR A 84 21.517 -9.800 11.005 1.00 42.44 H new ATOM 1369 N TYR A 85 21.635 -9.131 15.934 1.00 0.23 N ATOM 1370 CA TYR A 85 21.952 -8.662 17.278 1.00 64.10 C ATOM 1371 C TYR A 85 23.065 -9.501 17.899 1.00 61.10 C ATOM 1372 O TYR A 85 23.004 -10.731 17.903 1.00 51.21 O ATOM 1373 CB TYR A 85 20.707 -8.710 18.165 1.00 41.31 C ATOM 1374 CG TYR A 85 19.965 -7.394 18.238 1.00 25.15 C ATOM 1375 CD1 TYR A 85 18.911 -7.120 17.376 1.00 0.41 C ATOM 1376 CD2 TYR A 85 20.320 -6.425 19.169 1.00 35.43 C ATOM 1377 CE1 TYR A 85 18.231 -5.919 17.439 1.00 11.20 C ATOM 1378 CE2 TYR A 85 19.644 -5.222 19.240 1.00 21.54 C ATOM 1379 CZ TYR A 85 18.601 -4.974 18.373 1.00 12.21 C ATOM 1380 OH TYR A 85 17.926 -3.776 18.440 1.00 65.11 O ATOM 0 H TYR A 85 21.575 -10.145 15.844 1.00 0.23 H new ATOM 0 HA TYR A 85 22.297 -7.631 17.203 1.00 64.10 H new ATOM 0 HB2 TYR A 85 20.032 -9.478 17.788 1.00 41.31 H new ATOM 0 HB3 TYR A 85 20.999 -9.009 19.172 1.00 41.31 H new ATOM 0 HD1 TYR A 85 18.618 -7.858 16.644 1.00 0.41 H new ATOM 0 HD2 TYR A 85 21.138 -6.615 19.848 1.00 35.43 H new ATOM 0 HE1 TYR A 85 17.414 -5.721 16.761 1.00 11.20 H new ATOM 0 HE2 TYR A 85 19.931 -4.480 19.971 1.00 21.54 H new ATOM 0 HH TYR A 85 18.311 -3.223 19.152 1.00 65.11 H new ATOM 1390 N LYS A 86 24.082 -8.827 18.424 1.00 4.14 N ATOM 1391 CA LYS A 86 25.210 -9.507 19.051 1.00 73.21 C ATOM 1392 C LYS A 86 24.736 -10.426 20.173 1.00 52.52 C ATOM 1393 O LYS A 86 24.026 -9.995 21.082 1.00 12.53 O ATOM 1394 CB LYS A 86 26.207 -8.485 19.601 1.00 11.00 C ATOM 1395 CG LYS A 86 27.627 -8.692 19.104 1.00 61.40 C ATOM 1396 CD LYS A 86 27.936 -7.803 17.911 1.00 31.22 C ATOM 1397 CE LYS A 86 29.249 -8.194 17.250 1.00 53.22 C ATOM 1398 NZ LYS A 86 30.363 -7.291 17.652 1.00 33.25 N ATOM 0 H LYS A 86 24.149 -7.809 18.428 1.00 4.14 H new ATOM 0 HA LYS A 86 25.703 -10.114 18.292 1.00 73.21 H new ATOM 0 HB2 LYS A 86 25.877 -7.483 19.325 1.00 11.00 H new ATOM 0 HB3 LYS A 86 26.201 -8.534 20.690 1.00 11.00 H new ATOM 0 HG2 LYS A 86 28.330 -8.479 19.909 1.00 61.40 H new ATOM 0 HG3 LYS A 86 27.768 -9.737 18.826 1.00 61.40 H new ATOM 0 HD2 LYS A 86 27.127 -7.873 17.184 1.00 31.22 H new ATOM 0 HD3 LYS A 86 27.985 -6.763 18.234 1.00 31.22 H new ATOM 0 HE2 LYS A 86 29.499 -9.221 17.518 1.00 53.22 H new ATOM 0 HE3 LYS A 86 29.132 -8.167 16.167 1.00 53.22 H new ATOM 0 HZ1 LYS A 86 31.240 -7.591 17.180 1.00 33.25 H new ATOM 0 HZ2 LYS A 86 30.136 -6.315 17.374 1.00 33.25 H new ATOM 0 HZ3 LYS A 86 30.492 -7.336 18.683 1.00 33.25 H new ATOM 1412 N CYS A 87 25.134 -11.691 20.103 1.00 54.10 N ATOM 1413 CA CYS A 87 24.750 -12.670 21.114 1.00 53.02 C ATOM 1414 C CYS A 87 25.980 -13.243 21.811 1.00 54.52 C ATOM 1415 O CYS A 87 27.036 -13.402 21.199 1.00 62.43 O ATOM 1416 CB CYS A 87 23.937 -13.799 20.478 1.00 42.22 C ATOM 1417 SG CYS A 87 22.433 -13.245 19.641 1.00 43.23 S ATOM 0 H CYS A 87 25.722 -12.063 19.357 1.00 54.10 H new ATOM 0 HA CYS A 87 24.135 -12.164 21.859 1.00 53.02 H new ATOM 0 HB2 CYS A 87 24.566 -14.326 19.760 1.00 42.22 H new ATOM 0 HB3 CYS A 87 23.666 -14.517 21.252 1.00 42.22 H new ATOM 0 HG CYS A 87 22.698 -12.193 18.924 1.00 43.23 H new ATOM 1423 N THR A 88 25.836 -13.549 23.097 1.00 50.34 N ATOM 1424 CA THR A 88 26.935 -14.101 23.878 1.00 3.53 C ATOM 1425 C THR A 88 26.743 -15.593 24.120 1.00 32.22 C ATOM 1426 O THR A 88 25.616 -16.069 24.268 1.00 41.51 O ATOM 1427 CB THR A 88 27.074 -13.386 25.236 1.00 53.33 C ATOM 1428 OG1 THR A 88 27.050 -11.967 25.047 1.00 41.53 O ATOM 1429 CG2 THR A 88 28.366 -13.788 25.930 1.00 31.50 C ATOM 0 H THR A 88 24.969 -13.424 23.619 1.00 50.34 H new ATOM 0 HA THR A 88 27.844 -13.944 23.298 1.00 3.53 H new ATOM 0 HB THR A 88 26.235 -13.683 25.865 1.00 53.33 H new ATOM 0 HG1 THR A 88 27.137 -11.520 25.915 1.00 41.53 H new ATOM 0 HG21 THR A 88 28.442 -13.270 26.886 1.00 31.50 H new ATOM 0 HG22 THR A 88 28.368 -14.865 26.099 1.00 31.50 H new ATOM 0 HG23 THR A 88 29.215 -13.517 25.303 1.00 31.50 H new ATOM 1437 N LEU A 89 27.848 -16.329 24.160 1.00 4.43 N ATOM 1438 CA LEU A 89 27.801 -17.769 24.385 1.00 24.15 C ATOM 1439 C LEU A 89 27.515 -18.082 25.851 1.00 71.24 C ATOM 1440 O LEU A 89 28.349 -17.841 26.722 1.00 44.24 O ATOM 1441 CB LEU A 89 29.122 -18.415 23.963 1.00 3.41 C ATOM 1442 CG LEU A 89 29.277 -19.901 24.288 1.00 42.24 C ATOM 1443 CD1 LEU A 89 28.480 -20.747 23.308 1.00 75.14 C ATOM 1444 CD2 LEU A 89 30.745 -20.301 24.269 1.00 43.25 C ATOM 0 H LEU A 89 28.788 -15.952 24.039 1.00 4.43 H new ATOM 0 HA LEU A 89 26.993 -18.180 23.780 1.00 24.15 H new ATOM 0 HB2 LEU A 89 29.240 -18.285 22.887 1.00 3.41 H new ATOM 0 HB3 LEU A 89 29.938 -17.872 24.441 1.00 3.41 H new ATOM 0 HG LEU A 89 28.886 -20.077 25.290 1.00 42.24 H new ATOM 0 HD11 LEU A 89 28.602 -21.802 23.555 1.00 75.14 H new ATOM 0 HD12 LEU A 89 27.425 -20.480 23.371 1.00 75.14 H new ATOM 0 HD13 LEU A 89 28.840 -20.567 22.295 1.00 75.14 H new ATOM 0 HD21 LEU A 89 30.836 -21.362 24.502 1.00 43.25 H new ATOM 0 HD22 LEU A 89 31.161 -20.110 23.280 1.00 43.25 H new ATOM 0 HD23 LEU A 89 31.291 -19.718 25.011 1.00 43.25 H new ATOM 1456 N ASN A 90 26.330 -18.623 26.114 1.00 72.20 N ATOM 1457 CA ASN A 90 25.934 -18.971 27.474 1.00 72.23 C ATOM 1458 C ASN A 90 26.329 -20.407 27.805 1.00 73.34 C ATOM 1459 O ASN A 90 26.958 -21.092 26.998 1.00 42.33 O ATOM 1460 CB ASN A 90 24.424 -18.792 27.649 1.00 24.22 C ATOM 1461 CG ASN A 90 23.625 -19.645 26.683 1.00 31.34 C ATOM 1462 OD1 ASN A 90 23.853 -19.613 25.474 1.00 22.31 O ATOM 1463 ND2 ASN A 90 22.681 -20.414 27.215 1.00 42.23 N ATOM 0 H ASN A 90 25.628 -18.830 25.404 1.00 72.20 H new ATOM 0 HA ASN A 90 26.455 -18.303 28.160 1.00 72.23 H new ATOM 0 HB2 ASN A 90 24.147 -19.049 28.671 1.00 24.22 H new ATOM 0 HB3 ASN A 90 24.166 -17.743 27.503 1.00 24.22 H new ATOM 0 HD21 ASN A 90 22.110 -21.010 26.615 1.00 42.23 H new ATOM 0 HD22 ASN A 90 22.527 -20.408 28.223 1.00 42.23 H new ATOM 1470 N LYS A 91 25.954 -20.858 28.997 1.00 61.20 N ATOM 1471 CA LYS A 91 26.266 -22.213 29.436 1.00 64.22 C ATOM 1472 C LYS A 91 25.631 -23.245 28.509 1.00 20.14 C ATOM 1473 O LYS A 91 26.217 -24.293 28.239 1.00 51.33 O ATOM 1474 CB LYS A 91 25.780 -22.432 30.870 1.00 13.32 C ATOM 1475 CG LYS A 91 26.410 -21.485 31.877 1.00 22.52 C ATOM 1476 CD LYS A 91 27.920 -21.652 31.930 1.00 73.12 C ATOM 1477 CE LYS A 91 28.482 -21.220 33.276 1.00 75.24 C ATOM 1478 NZ LYS A 91 28.123 -22.177 34.359 1.00 23.10 N ATOM 0 H LYS A 91 25.433 -20.304 29.677 1.00 61.20 H new ATOM 0 HA LYS A 91 27.348 -22.338 29.403 1.00 64.22 H new ATOM 0 HB2 LYS A 91 24.697 -22.313 30.900 1.00 13.32 H new ATOM 0 HB3 LYS A 91 25.996 -23.459 31.165 1.00 13.32 H new ATOM 0 HG2 LYS A 91 26.166 -20.456 31.613 1.00 22.52 H new ATOM 0 HG3 LYS A 91 25.988 -21.669 32.865 1.00 22.52 H new ATOM 0 HD2 LYS A 91 28.179 -22.694 31.744 1.00 73.12 H new ATOM 0 HD3 LYS A 91 28.380 -21.063 31.137 1.00 73.12 H new ATOM 0 HE2 LYS A 91 29.567 -21.139 33.208 1.00 75.24 H new ATOM 0 HE3 LYS A 91 28.103 -20.229 33.527 1.00 75.24 H new ATOM 0 HZ1 LYS A 91 28.753 -22.032 35.173 1.00 23.10 H new ATOM 0 HZ2 LYS A 91 27.138 -22.017 34.651 1.00 23.10 H new ATOM 0 HZ3 LYS A 91 28.227 -23.151 34.010 1.00 23.10 H new ATOM 1492 N GLU A 92 24.431 -22.940 28.026 1.00 73.40 N ATOM 1493 CA GLU A 92 23.718 -23.842 27.129 1.00 34.53 C ATOM 1494 C GLU A 92 23.972 -23.473 25.671 1.00 64.53 C ATOM 1495 O GLU A 92 23.942 -22.299 25.301 1.00 2.21 O ATOM 1496 CB GLU A 92 22.216 -23.806 27.421 1.00 0.23 C ATOM 1497 CG GLU A 92 21.811 -24.629 28.633 1.00 42.04 C ATOM 1498 CD GLU A 92 20.309 -24.803 28.744 1.00 61.31 C ATOM 1499 OE1 GLU A 92 19.726 -24.305 29.730 1.00 41.34 O ATOM 1500 OE2 GLU A 92 19.717 -25.438 27.846 1.00 14.25 O ATOM 0 H GLU A 92 23.932 -22.076 28.240 1.00 73.40 H new ATOM 0 HA GLU A 92 24.090 -24.852 27.300 1.00 34.53 H new ATOM 0 HB2 GLU A 92 21.909 -22.772 27.576 1.00 0.23 H new ATOM 0 HB3 GLU A 92 21.676 -24.171 26.548 1.00 0.23 H new ATOM 0 HG2 GLU A 92 22.283 -25.610 28.576 1.00 42.04 H new ATOM 0 HG3 GLU A 92 22.185 -24.147 29.536 1.00 42.04 H new ATOM 1507 N LEU A 93 24.224 -24.484 24.846 1.00 32.33 N ATOM 1508 CA LEU A 93 24.485 -24.268 23.427 1.00 13.34 C ATOM 1509 C LEU A 93 23.217 -23.829 22.701 1.00 31.24 C ATOM 1510 O LEU A 93 22.098 -24.113 23.129 1.00 73.35 O ATOM 1511 CB LEU A 93 25.036 -25.544 22.789 1.00 32.04 C ATOM 1512 CG LEU A 93 23.996 -26.557 22.308 1.00 42.32 C ATOM 1513 CD1 LEU A 93 24.674 -27.732 21.621 1.00 22.34 C ATOM 1514 CD2 LEU A 93 23.141 -27.037 23.471 1.00 13.11 C ATOM 0 H LEU A 93 24.253 -25.462 25.136 1.00 32.33 H new ATOM 0 HA LEU A 93 25.227 -23.475 23.336 1.00 13.34 H new ATOM 0 HB2 LEU A 93 25.659 -25.262 21.940 1.00 32.04 H new ATOM 0 HB3 LEU A 93 25.686 -26.036 23.512 1.00 32.04 H new ATOM 0 HG LEU A 93 23.346 -26.066 21.584 1.00 42.32 H new ATOM 0 HD11 LEU A 93 23.919 -28.443 21.285 1.00 22.34 H new ATOM 0 HD12 LEU A 93 25.242 -27.373 20.762 1.00 22.34 H new ATOM 0 HD13 LEU A 93 25.348 -28.224 22.322 1.00 22.34 H new ATOM 0 HD21 LEU A 93 22.407 -27.757 23.110 1.00 13.11 H new ATOM 0 HD22 LEU A 93 23.777 -27.511 24.219 1.00 13.11 H new ATOM 0 HD23 LEU A 93 22.626 -26.187 23.919 1.00 13.11 H new ATOM 1526 N PRO A 94 23.394 -23.122 21.576 1.00 40.33 N ATOM 1527 CA PRO A 94 22.276 -22.631 20.765 1.00 73.43 C ATOM 1528 C PRO A 94 21.535 -23.760 20.055 1.00 24.02 C ATOM 1529 O PRO A 94 22.117 -24.801 19.747 1.00 52.13 O ATOM 1530 CB PRO A 94 22.953 -21.712 19.745 1.00 21.31 C ATOM 1531 CG PRO A 94 24.348 -22.224 19.642 1.00 63.20 C ATOM 1532 CD PRO A 94 24.700 -22.747 21.008 1.00 52.44 C ATOM 0 HA PRO A 94 21.521 -22.133 21.372 1.00 73.43 H new ATOM 0 HB2 PRO A 94 22.446 -21.749 18.781 1.00 21.31 H new ATOM 0 HB3 PRO A 94 22.936 -20.673 20.075 1.00 21.31 H new ATOM 0 HG2 PRO A 94 24.420 -23.012 18.892 1.00 63.20 H new ATOM 0 HG3 PRO A 94 25.033 -21.432 19.339 1.00 63.20 H new ATOM 0 HD2 PRO A 94 25.373 -23.602 20.950 1.00 52.44 H new ATOM 0 HD3 PRO A 94 25.199 -21.989 21.612 1.00 52.44 H new ATOM 1540 N THR A 95 20.248 -23.548 19.798 1.00 4.21 N ATOM 1541 CA THR A 95 19.428 -24.547 19.126 1.00 64.55 C ATOM 1542 C THR A 95 19.292 -24.237 17.639 1.00 22.32 C ATOM 1543 O THR A 95 19.501 -23.102 17.210 1.00 54.22 O ATOM 1544 CB THR A 95 18.024 -24.635 19.751 1.00 55.10 C ATOM 1545 OG1 THR A 95 18.120 -24.592 21.179 1.00 35.11 O ATOM 1546 CG2 THR A 95 17.319 -25.914 19.323 1.00 3.41 C ATOM 0 H THR A 95 19.751 -22.692 20.046 1.00 4.21 H new ATOM 0 HA THR A 95 19.933 -25.505 19.250 1.00 64.55 H new ATOM 0 HB THR A 95 17.441 -23.783 19.400 1.00 55.10 H new ATOM 0 HG1 THR A 95 17.492 -25.235 21.569 1.00 35.11 H new ATOM 0 HG21 THR A 95 16.329 -25.953 19.777 1.00 3.41 H new ATOM 0 HG22 THR A 95 17.221 -25.930 18.238 1.00 3.41 H new ATOM 0 HG23 THR A 95 17.901 -26.776 19.647 1.00 3.41 H new ATOM 1554 N LEU A 96 18.941 -25.252 16.858 1.00 73.43 N ATOM 1555 CA LEU A 96 18.776 -25.088 15.418 1.00 55.33 C ATOM 1556 C LEU A 96 20.100 -24.720 14.756 1.00 12.02 C ATOM 1557 O LEU A 96 20.132 -24.288 13.603 1.00 22.22 O ATOM 1558 CB LEU A 96 17.729 -24.011 15.124 1.00 4.13 C ATOM 1559 CG LEU A 96 18.272 -22.615 14.815 1.00 15.02 C ATOM 1560 CD1 LEU A 96 18.101 -22.291 13.339 1.00 11.22 C ATOM 1561 CD2 LEU A 96 17.577 -21.570 15.676 1.00 32.33 C ATOM 0 H LEU A 96 18.765 -26.198 17.197 1.00 73.43 H new ATOM 0 HA LEU A 96 18.437 -26.038 15.006 1.00 55.33 H new ATOM 0 HB2 LEU A 96 17.126 -24.340 14.278 1.00 4.13 H new ATOM 0 HB3 LEU A 96 17.061 -23.938 15.982 1.00 4.13 H new ATOM 0 HG LEU A 96 19.337 -22.600 15.049 1.00 15.02 H new ATOM 0 HD11 LEU A 96 18.493 -21.294 13.138 1.00 11.22 H new ATOM 0 HD12 LEU A 96 18.644 -23.022 12.741 1.00 11.22 H new ATOM 0 HD13 LEU A 96 17.043 -22.324 13.079 1.00 11.22 H new ATOM 0 HD21 LEU A 96 17.976 -20.583 15.443 1.00 32.33 H new ATOM 0 HD22 LEU A 96 16.506 -21.586 15.474 1.00 32.33 H new ATOM 0 HD23 LEU A 96 17.751 -21.792 16.729 1.00 32.33 H new ATOM 1573 N THR A 97 21.192 -24.896 15.493 1.00 45.22 N ATOM 1574 CA THR A 97 22.520 -24.584 14.978 1.00 13.30 C ATOM 1575 C THR A 97 23.038 -25.702 14.081 1.00 42.54 C ATOM 1576 O THR A 97 23.766 -25.451 13.120 1.00 31.25 O ATOM 1577 CB THR A 97 23.525 -24.351 16.121 1.00 3.44 C ATOM 1578 OG1 THR A 97 24.782 -23.919 15.588 1.00 1.20 O ATOM 1579 CG2 THR A 97 23.723 -25.621 16.935 1.00 4.41 C ATOM 0 H THR A 97 21.183 -25.253 16.448 1.00 45.22 H new ATOM 0 HA THR A 97 22.426 -23.668 14.395 1.00 13.30 H new ATOM 0 HB THR A 97 23.124 -23.578 16.776 1.00 3.44 H new ATOM 0 HG1 THR A 97 25.415 -23.772 16.321 1.00 1.20 H new ATOM 0 HG21 THR A 97 24.437 -25.432 17.737 1.00 4.41 H new ATOM 0 HG22 THR A 97 22.770 -25.931 17.364 1.00 4.41 H new ATOM 0 HG23 THR A 97 24.104 -26.412 16.289 1.00 4.41 H new ATOM 1587 N GLU A 98 22.658 -26.935 14.400 1.00 50.24 N ATOM 1588 CA GLU A 98 23.086 -28.091 13.621 1.00 52.14 C ATOM 1589 C GLU A 98 22.222 -28.257 12.374 1.00 53.22 C ATOM 1590 O GLU A 98 22.422 -29.181 11.584 1.00 10.54 O ATOM 1591 CB GLU A 98 23.020 -29.360 14.472 1.00 24.34 C ATOM 1592 CG GLU A 98 21.677 -29.570 15.150 1.00 74.23 C ATOM 1593 CD GLU A 98 21.218 -31.015 15.101 1.00 3.14 C ATOM 1594 OE1 GLU A 98 22.080 -31.914 15.199 1.00 42.43 O ATOM 1595 OE2 GLU A 98 19.999 -31.247 14.966 1.00 11.10 O ATOM 0 H GLU A 98 22.055 -27.159 15.192 1.00 50.24 H new ATOM 0 HA GLU A 98 24.117 -27.925 13.309 1.00 52.14 H new ATOM 0 HB2 GLU A 98 23.238 -30.222 13.841 1.00 24.34 H new ATOM 0 HB3 GLU A 98 23.799 -29.318 15.233 1.00 24.34 H new ATOM 0 HG2 GLU A 98 21.745 -29.249 16.190 1.00 74.23 H new ATOM 0 HG3 GLU A 98 20.929 -28.939 14.670 1.00 74.23 H new ATOM 1602 N HIS A 99 21.259 -27.356 12.204 1.00 45.34 N ATOM 1603 CA HIS A 99 20.364 -27.401 11.053 1.00 30.42 C ATOM 1604 C HIS A 99 21.136 -27.721 9.776 1.00 12.43 C ATOM 1605 O HIS A 99 20.655 -28.458 8.916 1.00 63.24 O ATOM 1606 CB HIS A 99 19.629 -26.070 10.899 1.00 12.32 C ATOM 1607 CG HIS A 99 18.167 -26.153 11.212 1.00 14.04 C ATOM 1608 ND1 HIS A 99 17.656 -26.947 12.217 1.00 23.34 N ATOM 1609 CD2 HIS A 99 17.104 -25.534 10.648 1.00 75.03 C ATOM 1610 CE1 HIS A 99 16.342 -26.815 12.256 1.00 5.21 C ATOM 1611 NE2 HIS A 99 15.982 -25.962 11.314 1.00 72.20 N ATOM 0 H HIS A 99 21.079 -26.586 12.849 1.00 45.34 H new ATOM 0 HA HIS A 99 19.634 -28.192 11.223 1.00 30.42 H new ATOM 0 HB2 HIS A 99 20.091 -25.331 11.554 1.00 12.32 H new ATOM 0 HB3 HIS A 99 19.754 -25.712 9.877 1.00 12.32 H new ATOM 0 HD2 HIS A 99 17.133 -24.833 9.827 1.00 75.03 H new ATOM 0 HE1 HIS A 99 15.676 -27.319 12.941 1.00 5.21 H new ATOM 0 HE2 HIS A 99 15.026 -25.669 11.114 1.00 72.20 H new ATOM 1619 N LYS A 100 22.335 -27.160 9.660 1.00 54.34 N ATOM 1620 CA LYS A 100 23.174 -27.384 8.489 1.00 61.12 C ATOM 1621 C LYS A 100 24.335 -28.316 8.822 1.00 0.31 C ATOM 1622 O LYS A 100 24.476 -29.384 8.228 1.00 62.24 O ATOM 1623 CB LYS A 100 23.711 -26.053 7.958 1.00 51.12 C ATOM 1624 CG LYS A 100 24.192 -26.122 6.519 1.00 52.52 C ATOM 1625 CD LYS A 100 24.945 -24.863 6.122 1.00 41.01 C ATOM 1626 CE LYS A 100 25.324 -24.881 4.649 1.00 71.20 C ATOM 1627 NZ LYS A 100 25.738 -23.535 4.166 1.00 1.20 N ATOM 0 H LYS A 100 22.747 -26.547 10.363 1.00 54.34 H new ATOM 0 HA LYS A 100 22.562 -27.855 7.719 1.00 61.12 H new ATOM 0 HB2 LYS A 100 22.928 -25.298 8.035 1.00 51.12 H new ATOM 0 HB3 LYS A 100 24.534 -25.724 8.592 1.00 51.12 H new ATOM 0 HG2 LYS A 100 24.839 -26.990 6.392 1.00 52.52 H new ATOM 0 HG3 LYS A 100 23.339 -26.261 5.855 1.00 52.52 H new ATOM 0 HD2 LYS A 100 24.328 -23.988 6.329 1.00 41.01 H new ATOM 0 HD3 LYS A 100 25.845 -24.770 6.729 1.00 41.01 H new ATOM 0 HE2 LYS A 100 26.138 -25.589 4.492 1.00 71.20 H new ATOM 0 HE3 LYS A 100 24.477 -25.233 4.060 1.00 71.20 H new ATOM 0 HZ1 LYS A 100 25.988 -23.590 3.158 1.00 1.20 H new ATOM 0 HZ2 LYS A 100 24.953 -22.864 4.292 1.00 1.20 H new ATOM 0 HZ3 LYS A 100 26.562 -23.209 4.710 1.00 1.20 H new ATOM 1641 N SER A 101 25.163 -27.904 9.777 1.00 12.02 N ATOM 1642 CA SER A 101 26.313 -28.701 10.188 1.00 72.01 C ATOM 1643 C SER A 101 27.116 -27.980 11.266 1.00 44.02 C ATOM 1644 O SER A 101 26.695 -26.943 11.780 1.00 23.40 O ATOM 1645 CB SER A 101 27.208 -29.002 8.984 1.00 13.20 C ATOM 1646 OG SER A 101 27.367 -30.398 8.803 1.00 74.21 O ATOM 0 H SER A 101 25.059 -27.023 10.280 1.00 12.02 H new ATOM 0 HA SER A 101 25.945 -29.640 10.601 1.00 72.01 H new ATOM 0 HB2 SER A 101 26.774 -28.563 8.086 1.00 13.20 H new ATOM 0 HB3 SER A 101 28.184 -28.537 9.127 1.00 13.20 H new ATOM 0 HG SER A 101 27.941 -30.564 8.027 1.00 74.21 H new ATOM 1652 N ILE A 102 28.275 -28.536 11.602 1.00 21.34 N ATOM 1653 CA ILE A 102 29.139 -27.947 12.618 1.00 53.41 C ATOM 1654 C ILE A 102 30.388 -27.338 11.991 1.00 65.21 C ATOM 1655 O ILE A 102 31.319 -28.053 11.620 1.00 10.21 O ATOM 1656 CB ILE A 102 29.561 -28.988 13.671 1.00 2.22 C ATOM 1657 CG1 ILE A 102 28.385 -29.321 14.591 1.00 71.30 C ATOM 1658 CG2 ILE A 102 30.743 -28.474 14.479 1.00 4.23 C ATOM 1659 CD1 ILE A 102 28.186 -30.806 14.803 1.00 13.31 C ATOM 0 H ILE A 102 28.638 -29.394 11.186 1.00 21.34 H new ATOM 0 HA ILE A 102 28.562 -27.162 13.107 1.00 53.41 H new ATOM 0 HB ILE A 102 29.865 -29.900 13.157 1.00 2.22 H new ATOM 0 HG12 ILE A 102 28.543 -28.842 15.557 1.00 71.30 H new ATOM 0 HG13 ILE A 102 27.473 -28.897 14.170 1.00 71.30 H new ATOM 0 HG21 ILE A 102 31.030 -29.221 15.219 1.00 4.23 H new ATOM 0 HG22 ILE A 102 31.584 -28.282 13.812 1.00 4.23 H new ATOM 0 HG23 ILE A 102 30.463 -27.550 14.985 1.00 4.23 H new ATOM 0 HD11 ILE A 102 27.336 -30.968 15.465 1.00 13.31 H new ATOM 0 HD12 ILE A 102 27.996 -31.288 13.844 1.00 13.31 H new ATOM 0 HD13 ILE A 102 29.083 -31.233 15.253 1.00 13.31 H new ATOM 1671 N GLU A 103 30.402 -26.014 11.878 1.00 43.35 N ATOM 1672 CA GLU A 103 31.539 -25.309 11.296 1.00 30.32 C ATOM 1673 C GLU A 103 31.762 -23.970 11.992 1.00 44.53 C ATOM 1674 O GLU A 103 30.897 -23.094 11.967 1.00 4.04 O ATOM 1675 CB GLU A 103 31.319 -25.088 9.798 1.00 34.32 C ATOM 1676 CG GLU A 103 30.329 -26.061 9.179 1.00 40.34 C ATOM 1677 CD GLU A 103 30.241 -25.922 7.671 1.00 12.02 C ATOM 1678 OE1 GLU A 103 29.175 -25.500 7.175 1.00 65.41 O ATOM 1679 OE2 GLU A 103 31.238 -26.235 6.988 1.00 63.21 O ATOM 0 H GLU A 103 29.640 -25.408 12.181 1.00 43.35 H new ATOM 0 HA GLU A 103 32.427 -25.925 11.438 1.00 30.32 H new ATOM 0 HB2 GLU A 103 30.964 -24.070 9.638 1.00 34.32 H new ATOM 0 HB3 GLU A 103 32.275 -25.177 9.282 1.00 34.32 H new ATOM 0 HG2 GLU A 103 30.622 -27.081 9.430 1.00 40.34 H new ATOM 0 HG3 GLU A 103 29.343 -25.896 9.614 1.00 40.34 H new ATOM 1686 N TRP A 104 32.927 -23.818 12.611 1.00 65.42 N ATOM 1687 CA TRP A 104 33.265 -22.586 13.314 1.00 11.10 C ATOM 1688 C TRP A 104 34.486 -21.920 12.689 1.00 12.44 C ATOM 1689 O TRP A 104 35.592 -22.460 12.735 1.00 12.24 O ATOM 1690 CB TRP A 104 33.527 -22.874 14.793 1.00 15.23 C ATOM 1691 CG TRP A 104 32.677 -23.979 15.343 1.00 75.33 C ATOM 1692 CD1 TRP A 104 33.105 -25.078 16.031 1.00 3.02 C ATOM 1693 CD2 TRP A 104 31.253 -24.093 15.248 1.00 75.44 C ATOM 1694 NE1 TRP A 104 32.034 -25.868 16.370 1.00 75.41 N ATOM 1695 CE2 TRP A 104 30.886 -25.286 15.902 1.00 54.15 C ATOM 1696 CE3 TRP A 104 30.252 -23.304 14.676 1.00 54.42 C ATOM 1697 CZ2 TRP A 104 29.561 -25.705 15.997 1.00 64.34 C ATOM 1698 CZ3 TRP A 104 28.938 -23.721 14.771 1.00 72.32 C ATOM 1699 CH2 TRP A 104 28.602 -24.913 15.428 1.00 51.44 C ATOM 0 H TRP A 104 33.654 -24.533 12.640 1.00 65.42 H new ATOM 0 HA TRP A 104 32.419 -21.904 13.228 1.00 11.10 H new ATOM 0 HB2 TRP A 104 34.577 -23.134 14.925 1.00 15.23 H new ATOM 0 HB3 TRP A 104 33.348 -21.966 15.370 1.00 15.23 H new ATOM 0 HD1 TRP A 104 34.135 -25.294 16.273 1.00 3.02 H new ATOM 0 HE1 TRP A 104 32.085 -26.746 16.887 1.00 75.41 H new ATOM 0 HE3 TRP A 104 30.501 -22.384 14.168 1.00 54.42 H new ATOM 0 HZ2 TRP A 104 29.300 -26.623 16.502 1.00 64.34 H new ATOM 0 HZ3 TRP A 104 28.157 -23.118 14.332 1.00 72.32 H new ATOM 0 HH2 TRP A 104 27.566 -25.212 15.486 1.00 51.44 H new ATOM 1710 N LEU A 105 34.279 -20.744 12.106 1.00 22.11 N ATOM 1711 CA LEU A 105 35.364 -20.003 11.472 1.00 23.50 C ATOM 1712 C LEU A 105 35.803 -18.830 12.342 1.00 44.24 C ATOM 1713 O LEU A 105 35.046 -18.352 13.186 1.00 32.53 O ATOM 1714 CB LEU A 105 34.927 -19.498 10.096 1.00 22.00 C ATOM 1715 CG LEU A 105 34.807 -20.557 8.999 1.00 15.33 C ATOM 1716 CD1 LEU A 105 36.090 -21.366 8.895 1.00 33.23 C ATOM 1717 CD2 LEU A 105 33.618 -21.469 9.267 1.00 24.02 C ATOM 0 H LEU A 105 33.370 -20.283 12.059 1.00 22.11 H new ATOM 0 HA LEU A 105 36.211 -20.678 11.352 1.00 23.50 H new ATOM 0 HB2 LEU A 105 33.962 -19.003 10.203 1.00 22.00 H new ATOM 0 HB3 LEU A 105 35.639 -18.741 9.766 1.00 22.00 H new ATOM 0 HG LEU A 105 34.644 -20.051 8.048 1.00 15.33 H new ATOM 0 HD11 LEU A 105 35.986 -22.114 8.109 1.00 33.23 H new ATOM 0 HD12 LEU A 105 36.920 -20.702 8.656 1.00 33.23 H new ATOM 0 HD13 LEU A 105 36.285 -21.863 9.845 1.00 33.23 H new ATOM 0 HD21 LEU A 105 33.547 -22.217 8.477 1.00 24.02 H new ATOM 0 HD22 LEU A 105 33.751 -21.967 10.227 1.00 24.02 H new ATOM 0 HD23 LEU A 105 32.703 -20.877 9.289 1.00 24.02 H new ATOM 1729 N SER A 106 37.031 -18.368 12.127 1.00 2.13 N ATOM 1730 CA SER A 106 37.572 -17.251 12.893 1.00 41.34 C ATOM 1731 C SER A 106 36.960 -15.931 12.434 1.00 52.24 C ATOM 1732 O SER A 106 36.219 -15.886 11.451 1.00 34.53 O ATOM 1733 CB SER A 106 39.094 -17.197 12.750 1.00 44.31 C ATOM 1734 OG SER A 106 39.471 -16.857 11.427 1.00 52.42 O ATOM 0 H SER A 106 37.670 -18.750 11.429 1.00 2.13 H new ATOM 0 HA SER A 106 37.318 -17.405 13.942 1.00 41.34 H new ATOM 0 HB2 SER A 106 39.502 -16.465 13.447 1.00 44.31 H new ATOM 0 HB3 SER A 106 39.522 -18.164 13.016 1.00 44.31 H new ATOM 0 HG SER A 106 40.449 -16.843 11.359 1.00 52.42 H new ATOM 1740 N ILE A 107 37.275 -14.858 13.152 1.00 62.34 N ATOM 1741 CA ILE A 107 36.758 -13.537 12.818 1.00 34.12 C ATOM 1742 C ILE A 107 37.434 -12.981 11.570 1.00 55.15 C ATOM 1743 O ILE A 107 36.869 -12.143 10.867 1.00 24.31 O ATOM 1744 CB ILE A 107 36.955 -12.545 13.980 1.00 60.51 C ATOM 1745 CG1 ILE A 107 36.241 -13.049 15.236 1.00 23.31 C ATOM 1746 CG2 ILE A 107 36.444 -11.166 13.591 1.00 24.03 C ATOM 1747 CD1 ILE A 107 36.376 -12.119 16.421 1.00 31.35 C ATOM 0 H ILE A 107 37.886 -14.878 13.969 1.00 62.34 H new ATOM 0 HA ILE A 107 35.691 -13.655 12.628 1.00 34.12 H new ATOM 0 HB ILE A 107 38.021 -12.468 14.197 1.00 60.51 H new ATOM 0 HG12 ILE A 107 35.183 -13.188 15.012 1.00 23.31 H new ATOM 0 HG13 ILE A 107 36.641 -14.027 15.504 1.00 23.31 H new ATOM 0 HG21 ILE A 107 36.590 -10.476 14.422 1.00 24.03 H new ATOM 0 HG22 ILE A 107 36.993 -10.807 12.721 1.00 24.03 H new ATOM 0 HG23 ILE A 107 35.382 -11.226 13.351 1.00 24.03 H new ATOM 0 HD11 ILE A 107 35.846 -12.539 17.276 1.00 31.35 H new ATOM 0 HD12 ILE A 107 37.430 -11.999 16.671 1.00 31.35 H new ATOM 0 HD13 ILE A 107 35.950 -11.147 16.171 1.00 31.35 H new ATOM 1759 N ASN A 108 38.645 -13.455 11.299 1.00 44.45 N ATOM 1760 CA ASN A 108 39.399 -13.006 10.133 1.00 14.42 C ATOM 1761 C ASN A 108 39.217 -13.968 8.964 1.00 75.52 C ATOM 1762 O ASN A 108 39.883 -13.846 7.937 1.00 4.20 O ATOM 1763 CB ASN A 108 40.884 -12.879 10.478 1.00 71.13 C ATOM 1764 CG ASN A 108 41.399 -14.071 11.262 1.00 42.44 C ATOM 1765 OD1 ASN A 108 41.855 -15.058 10.684 1.00 11.31 O ATOM 1766 ND2 ASN A 108 41.329 -13.983 12.585 1.00 74.32 N ATOM 0 H ASN A 108 39.126 -14.150 11.870 1.00 44.45 H new ATOM 0 HA ASN A 108 39.017 -12.029 9.838 1.00 14.42 H new ATOM 0 HB2 ASN A 108 41.460 -12.776 9.559 1.00 71.13 H new ATOM 0 HB3 ASN A 108 41.043 -11.970 11.058 1.00 71.13 H new ATOM 0 HD21 ASN A 108 41.661 -14.753 13.166 1.00 74.32 H new ATOM 0 HD22 ASN A 108 40.943 -13.145 13.021 1.00 74.32 H new ATOM 1773 N GLU A 109 38.309 -14.925 9.128 1.00 35.50 N ATOM 1774 CA GLU A 109 38.039 -15.909 8.086 1.00 63.12 C ATOM 1775 C GLU A 109 36.543 -16.007 7.803 1.00 11.33 C ATOM 1776 O GLU A 109 36.116 -16.728 6.901 1.00 35.31 O ATOM 1777 CB GLU A 109 38.583 -17.280 8.495 1.00 52.25 C ATOM 1778 CG GLU A 109 40.099 -17.335 8.571 1.00 63.35 C ATOM 1779 CD GLU A 109 40.740 -17.646 7.231 1.00 14.45 C ATOM 1780 OE1 GLU A 109 41.412 -18.692 7.123 1.00 5.21 O ATOM 1781 OE2 GLU A 109 40.567 -16.841 6.292 1.00 70.44 O ATOM 0 H GLU A 109 37.748 -15.040 9.972 1.00 35.50 H new ATOM 0 HA GLU A 109 38.542 -15.583 7.176 1.00 63.12 H new ATOM 0 HB2 GLU A 109 38.169 -17.551 9.466 1.00 52.25 H new ATOM 0 HB3 GLU A 109 38.236 -18.027 7.781 1.00 52.25 H new ATOM 0 HG2 GLU A 109 40.476 -16.380 8.937 1.00 63.35 H new ATOM 0 HG3 GLU A 109 40.395 -18.093 9.296 1.00 63.35 H new ATOM 1788 N LEU A 110 35.751 -15.276 8.581 1.00 63.41 N ATOM 1789 CA LEU A 110 34.302 -15.280 8.416 1.00 52.02 C ATOM 1790 C LEU A 110 33.915 -14.904 6.989 1.00 63.10 C ATOM 1791 O LEU A 110 32.841 -15.268 6.510 1.00 63.33 O ATOM 1792 CB LEU A 110 33.654 -14.309 9.404 1.00 32.15 C ATOM 1793 CG LEU A 110 34.257 -12.905 9.460 1.00 63.30 C ATOM 1794 CD1 LEU A 110 33.800 -12.080 8.267 1.00 63.30 C ATOM 1795 CD2 LEU A 110 33.883 -12.215 10.763 1.00 15.22 C ATOM 0 H LEU A 110 36.088 -14.673 9.332 1.00 63.41 H new ATOM 0 HA LEU A 110 33.941 -16.289 8.617 1.00 52.02 H new ATOM 0 HB2 LEU A 110 32.597 -14.219 9.153 1.00 32.15 H new ATOM 0 HB3 LEU A 110 33.709 -14.746 10.401 1.00 32.15 H new ATOM 0 HG LEU A 110 35.343 -12.995 9.419 1.00 63.30 H new ATOM 0 HD11 LEU A 110 34.239 -11.084 8.324 1.00 63.30 H new ATOM 0 HD12 LEU A 110 34.120 -12.565 7.345 1.00 63.30 H new ATOM 0 HD13 LEU A 110 32.713 -11.998 8.276 1.00 63.30 H new ATOM 0 HD21 LEU A 110 34.321 -11.217 10.785 1.00 15.22 H new ATOM 0 HD22 LEU A 110 32.798 -12.137 10.835 1.00 15.22 H new ATOM 0 HD23 LEU A 110 34.261 -12.796 11.604 1.00 15.22 H new ATOM 1807 N ASP A 111 34.798 -14.176 6.315 1.00 43.41 N ATOM 1808 CA ASP A 111 34.551 -13.753 4.941 1.00 23.02 C ATOM 1809 C ASP A 111 34.240 -14.952 4.051 1.00 35.45 C ATOM 1810 O ASP A 111 33.486 -14.842 3.084 1.00 61.41 O ATOM 1811 CB ASP A 111 35.762 -12.996 4.392 1.00 33.14 C ATOM 1812 CG ASP A 111 35.509 -12.423 3.012 1.00 61.44 C ATOM 1813 OD1 ASP A 111 36.464 -12.366 2.210 1.00 65.02 O ATOM 1814 OD2 ASP A 111 34.356 -12.032 2.733 1.00 2.31 O ATOM 0 H ASP A 111 35.691 -13.866 6.697 1.00 43.41 H new ATOM 0 HA ASP A 111 33.687 -13.089 4.941 1.00 23.02 H new ATOM 0 HB2 ASP A 111 36.022 -12.188 5.076 1.00 33.14 H new ATOM 0 HB3 ASP A 111 36.619 -13.668 4.352 1.00 33.14 H new ATOM 1819 N LYS A 112 34.825 -16.098 4.385 1.00 51.33 N ATOM 1820 CA LYS A 112 34.611 -17.319 3.617 1.00 15.31 C ATOM 1821 C LYS A 112 33.156 -17.770 3.708 1.00 63.22 C ATOM 1822 O LYS A 112 32.697 -18.583 2.905 1.00 72.51 O ATOM 1823 CB LYS A 112 35.533 -18.431 4.121 1.00 42.12 C ATOM 1824 CG LYS A 112 35.052 -19.086 5.404 1.00 3.42 C ATOM 1825 CD LYS A 112 34.240 -20.338 5.121 1.00 70.13 C ATOM 1826 CE LYS A 112 34.849 -21.561 5.789 1.00 3.24 C ATOM 1827 NZ LYS A 112 34.739 -22.774 4.933 1.00 31.10 N ATOM 0 H LYS A 112 35.451 -16.206 5.183 1.00 51.33 H new ATOM 0 HA LYS A 112 34.844 -17.108 2.573 1.00 15.31 H new ATOM 0 HB2 LYS A 112 35.626 -19.193 3.347 1.00 42.12 H new ATOM 0 HB3 LYS A 112 36.529 -18.019 4.285 1.00 42.12 H new ATOM 0 HG2 LYS A 112 35.909 -19.341 6.027 1.00 3.42 H new ATOM 0 HG3 LYS A 112 34.446 -18.378 5.970 1.00 3.42 H new ATOM 0 HD2 LYS A 112 33.219 -20.199 5.476 1.00 70.13 H new ATOM 0 HD3 LYS A 112 34.183 -20.501 4.045 1.00 70.13 H new ATOM 0 HE2 LYS A 112 35.898 -21.368 6.012 1.00 3.24 H new ATOM 0 HE3 LYS A 112 34.349 -21.742 6.741 1.00 3.24 H new ATOM 0 HZ1 LYS A 112 35.166 -23.585 5.424 1.00 31.10 H new ATOM 0 HZ2 LYS A 112 33.737 -22.974 4.741 1.00 31.10 H new ATOM 0 HZ3 LYS A 112 35.238 -22.612 4.035 1.00 31.10 H new ATOM 1841 N LEU A 113 32.436 -17.237 4.689 1.00 43.04 N ATOM 1842 CA LEU A 113 31.033 -17.584 4.883 1.00 12.02 C ATOM 1843 C LEU A 113 30.123 -16.598 4.158 1.00 75.00 C ATOM 1844 O LEU A 113 29.078 -16.206 4.676 1.00 31.21 O ATOM 1845 CB LEU A 113 30.694 -17.606 6.375 1.00 45.32 C ATOM 1846 CG LEU A 113 31.547 -18.532 7.243 1.00 1.30 C ATOM 1847 CD1 LEU A 113 31.996 -17.815 8.507 1.00 15.02 C ATOM 1848 CD2 LEU A 113 30.776 -19.797 7.590 1.00 1.11 C ATOM 0 H LEU A 113 32.801 -16.563 5.362 1.00 43.04 H new ATOM 0 HA LEU A 113 30.869 -18.577 4.465 1.00 12.02 H new ATOM 0 HB2 LEU A 113 30.785 -16.591 6.763 1.00 45.32 H new ATOM 0 HB3 LEU A 113 29.649 -17.897 6.486 1.00 45.32 H new ATOM 0 HG LEU A 113 32.434 -18.815 6.676 1.00 1.30 H new ATOM 0 HD11 LEU A 113 32.602 -18.489 9.112 1.00 15.02 H new ATOM 0 HD12 LEU A 113 32.587 -16.939 8.238 1.00 15.02 H new ATOM 0 HD13 LEU A 113 31.122 -17.502 9.078 1.00 15.02 H new ATOM 0 HD21 LEU A 113 31.398 -20.444 8.208 1.00 1.11 H new ATOM 0 HD22 LEU A 113 29.871 -19.533 8.137 1.00 1.11 H new ATOM 0 HD23 LEU A 113 30.505 -20.321 6.673 1.00 1.11 H new ATOM 1860 N ASN A 114 30.526 -16.203 2.955 1.00 41.21 N ATOM 1861 CA ASN A 114 29.746 -15.264 2.157 1.00 12.23 C ATOM 1862 C ASN A 114 28.279 -15.283 2.575 1.00 13.25 C ATOM 1863 O ASN A 114 27.536 -16.200 2.227 1.00 35.34 O ATOM 1864 CB ASN A 114 29.868 -15.601 0.670 1.00 61.21 C ATOM 1865 CG ASN A 114 29.855 -14.364 -0.207 1.00 10.23 C ATOM 1866 OD1 ASN A 114 30.803 -14.105 -0.949 1.00 34.13 O ATOM 1867 ND2 ASN A 114 28.777 -13.592 -0.124 1.00 45.03 N ATOM 0 H ASN A 114 31.388 -16.519 2.511 1.00 41.21 H new ATOM 0 HA ASN A 114 30.142 -14.263 2.329 1.00 12.23 H new ATOM 0 HB2 ASN A 114 30.792 -16.153 0.500 1.00 61.21 H new ATOM 0 HB3 ASN A 114 29.047 -16.257 0.380 1.00 61.21 H new ATOM 0 HD21 ASN A 114 28.711 -12.745 -0.689 1.00 45.03 H new ATOM 0 HD22 ASN A 114 28.015 -13.846 0.505 1.00 45.03 H new ATOM 1874 N TRP A 115 27.869 -14.264 3.323 1.00 64.30 N ATOM 1875 CA TRP A 115 26.491 -14.164 3.788 1.00 13.43 C ATOM 1876 C TRP A 115 25.661 -13.296 2.848 1.00 32.32 C ATOM 1877 O TRP A 115 26.194 -12.676 1.929 1.00 51.12 O ATOM 1878 CB TRP A 115 26.450 -13.586 5.204 1.00 34.32 C ATOM 1879 CG TRP A 115 27.599 -14.027 6.059 1.00 42.01 C ATOM 1880 CD1 TRP A 115 28.881 -13.557 6.014 1.00 32.43 C ATOM 1881 CD2 TRP A 115 27.571 -15.026 7.084 1.00 64.32 C ATOM 1882 NE1 TRP A 115 29.651 -14.205 6.950 1.00 45.32 N ATOM 1883 CE2 TRP A 115 28.872 -15.110 7.620 1.00 55.15 C ATOM 1884 CE3 TRP A 115 26.575 -15.857 7.603 1.00 74.04 C ATOM 1885 CZ2 TRP A 115 29.198 -15.992 8.646 1.00 11.23 C ATOM 1886 CZ3 TRP A 115 26.900 -16.732 8.621 1.00 2.04 C ATOM 1887 CH2 TRP A 115 28.202 -16.793 9.135 1.00 24.51 C ATOM 0 H TRP A 115 28.471 -13.496 3.620 1.00 64.30 H new ATOM 0 HA TRP A 115 26.064 -15.167 3.799 1.00 13.43 H new ATOM 0 HB2 TRP A 115 26.447 -12.498 5.145 1.00 34.32 H new ATOM 0 HB3 TRP A 115 25.516 -13.881 5.682 1.00 34.32 H new ATOM 0 HD1 TRP A 115 29.237 -12.790 5.342 1.00 32.43 H new ATOM 0 HE1 TRP A 115 30.643 -14.039 7.118 1.00 45.32 H new ATOM 0 HE3 TRP A 115 25.568 -15.816 7.215 1.00 74.04 H new ATOM 0 HZ2 TRP A 115 30.201 -16.043 9.042 1.00 11.23 H new ATOM 0 HZ3 TRP A 115 26.138 -17.380 9.028 1.00 2.04 H new ATOM 0 HH2 TRP A 115 28.424 -17.486 9.933 1.00 24.51 H new ATOM 1898 N ALA A 116 24.354 -13.258 3.085 1.00 53.31 N ATOM 1899 CA ALA A 116 23.451 -12.464 2.260 1.00 21.20 C ATOM 1900 C ALA A 116 23.938 -11.024 2.142 1.00 24.10 C ATOM 1901 O ALA A 116 24.840 -10.588 2.858 1.00 14.43 O ATOM 1902 CB ALA A 116 22.042 -12.501 2.833 1.00 22.52 C ATOM 0 H ALA A 116 23.897 -13.767 3.841 1.00 53.31 H new ATOM 0 HA ALA A 116 23.436 -12.898 1.260 1.00 21.20 H new ATOM 0 HB1 ALA A 116 21.379 -11.904 2.207 1.00 22.52 H new ATOM 0 HB2 ALA A 116 21.687 -13.531 2.859 1.00 22.52 H new ATOM 0 HB3 ALA A 116 22.050 -12.094 3.844 1.00 22.52 H new ATOM 1908 N PRO A 117 23.331 -10.267 1.217 1.00 54.13 N ATOM 1909 CA PRO A 117 23.687 -8.864 0.983 1.00 32.21 C ATOM 1910 C PRO A 117 23.270 -7.960 2.138 1.00 31.22 C ATOM 1911 O PRO A 117 23.756 -6.837 2.266 1.00 13.20 O ATOM 1912 CB PRO A 117 22.907 -8.506 -0.284 1.00 73.44 C ATOM 1913 CG PRO A 117 21.751 -9.447 -0.296 1.00 43.31 C ATOM 1914 CD PRO A 117 22.248 -10.722 0.327 1.00 5.55 C ATOM 0 HA PRO A 117 24.764 -8.727 0.889 1.00 32.21 H new ATOM 0 HB2 PRO A 117 22.573 -7.469 -0.263 1.00 73.44 H new ATOM 0 HB3 PRO A 117 23.523 -8.625 -1.175 1.00 73.44 H new ATOM 0 HG2 PRO A 117 20.911 -9.040 0.266 1.00 43.31 H new ATOM 0 HG3 PRO A 117 21.400 -9.621 -1.313 1.00 43.31 H new ATOM 0 HD2 PRO A 117 21.460 -11.232 0.881 1.00 5.55 H new ATOM 0 HD3 PRO A 117 22.613 -11.421 -0.425 1.00 5.55 H new ATOM 1922 N ALA A 118 22.368 -8.458 2.977 1.00 34.13 N ATOM 1923 CA ALA A 118 21.888 -7.696 4.123 1.00 15.13 C ATOM 1924 C ALA A 118 22.751 -7.952 5.354 1.00 61.13 C ATOM 1925 O ALA A 118 22.889 -7.086 6.218 1.00 21.52 O ATOM 1926 CB ALA A 118 20.434 -8.040 4.415 1.00 65.11 C ATOM 0 H ALA A 118 21.955 -9.386 2.885 1.00 34.13 H new ATOM 0 HA ALA A 118 21.957 -6.636 3.877 1.00 15.13 H new ATOM 0 HB1 ALA A 118 20.089 -7.463 5.273 1.00 65.11 H new ATOM 0 HB2 ALA A 118 19.822 -7.799 3.546 1.00 65.11 H new ATOM 0 HB3 ALA A 118 20.349 -9.104 4.635 1.00 65.11 H new ATOM 1932 N ASP A 119 23.330 -9.146 5.426 1.00 15.24 N ATOM 1933 CA ASP A 119 24.180 -9.516 6.552 1.00 43.25 C ATOM 1934 C ASP A 119 25.647 -9.236 6.239 1.00 50.11 C ATOM 1935 O ASP A 119 26.462 -9.058 7.145 1.00 53.22 O ATOM 1936 CB ASP A 119 23.993 -10.994 6.896 1.00 74.21 C ATOM 1937 CG ASP A 119 22.533 -11.370 7.057 1.00 32.13 C ATOM 1938 OD1 ASP A 119 21.795 -11.331 6.050 1.00 13.54 O ATOM 1939 OD2 ASP A 119 22.129 -11.705 8.190 1.00 14.12 O ATOM 0 H ASP A 119 23.226 -9.873 4.719 1.00 15.24 H new ATOM 0 HA ASP A 119 23.887 -8.912 7.411 1.00 43.25 H new ATOM 0 HB2 ASP A 119 24.439 -11.606 6.112 1.00 74.21 H new ATOM 0 HB3 ASP A 119 24.527 -11.220 7.819 1.00 74.21 H new ATOM 1944 N ILE A 120 25.976 -9.200 4.952 1.00 52.30 N ATOM 1945 CA ILE A 120 27.344 -8.942 4.521 1.00 51.44 C ATOM 1946 C ILE A 120 27.945 -7.761 5.275 1.00 12.33 C ATOM 1947 O ILE A 120 28.998 -7.865 5.904 1.00 1.13 O ATOM 1948 CB ILE A 120 27.414 -8.659 3.008 1.00 15.13 C ATOM 1949 CG1 ILE A 120 27.606 -9.963 2.232 1.00 63.12 C ATOM 1950 CG2 ILE A 120 28.540 -7.683 2.703 1.00 1.02 C ATOM 1951 CD1 ILE A 120 27.039 -9.921 0.830 1.00 32.52 C ATOM 0 H ILE A 120 25.314 -9.346 4.190 1.00 52.30 H new ATOM 0 HA ILE A 120 27.919 -9.842 4.742 1.00 51.44 H new ATOM 0 HB ILE A 120 26.473 -8.207 2.694 1.00 15.13 H new ATOM 0 HG12 ILE A 120 28.671 -10.191 2.178 1.00 63.12 H new ATOM 0 HG13 ILE A 120 27.133 -10.777 2.782 1.00 63.12 H new ATOM 0 HG21 ILE A 120 28.576 -7.493 1.630 1.00 1.02 H new ATOM 0 HG22 ILE A 120 28.363 -6.746 3.231 1.00 1.02 H new ATOM 0 HG23 ILE A 120 29.489 -8.109 3.029 1.00 1.02 H new ATOM 0 HD11 ILE A 120 27.211 -10.879 0.339 1.00 32.52 H new ATOM 0 HD12 ILE A 120 25.968 -9.724 0.876 1.00 32.52 H new ATOM 0 HD13 ILE A 120 27.529 -9.129 0.263 1.00 32.52 H new ATOM 1963 N PRO A 121 27.260 -6.609 5.214 1.00 33.14 N ATOM 1964 CA PRO A 121 27.706 -5.386 5.888 1.00 34.14 C ATOM 1965 C PRO A 121 27.593 -5.486 7.406 1.00 71.52 C ATOM 1966 O PRO A 121 28.207 -4.709 8.136 1.00 63.41 O ATOM 1967 CB PRO A 121 26.751 -4.317 5.351 1.00 42.21 C ATOM 1968 CG PRO A 121 25.525 -5.066 4.959 1.00 71.24 C ATOM 1969 CD PRO A 121 25.997 -6.413 4.483 1.00 13.52 C ATOM 0 HA PRO A 121 28.758 -5.175 5.694 1.00 34.14 H new ATOM 0 HB2 PRO A 121 26.530 -3.566 6.110 1.00 42.21 H new ATOM 0 HB3 PRO A 121 27.183 -3.792 4.499 1.00 42.21 H new ATOM 0 HG2 PRO A 121 24.843 -5.167 5.803 1.00 71.24 H new ATOM 0 HG3 PRO A 121 24.982 -4.542 4.172 1.00 71.24 H new ATOM 0 HD2 PRO A 121 25.274 -7.196 4.712 1.00 13.52 H new ATOM 0 HD3 PRO A 121 26.151 -6.427 3.404 1.00 13.52 H new ATOM 1977 N ALA A 122 26.804 -6.449 7.874 1.00 45.44 N ATOM 1978 CA ALA A 122 26.614 -6.652 9.304 1.00 13.24 C ATOM 1979 C ALA A 122 27.714 -7.533 9.885 1.00 23.12 C ATOM 1980 O ALA A 122 28.016 -7.463 11.077 1.00 74.02 O ATOM 1981 CB ALA A 122 25.247 -7.265 9.573 1.00 42.31 C ATOM 0 H ALA A 122 26.287 -7.100 7.283 1.00 45.44 H new ATOM 0 HA ALA A 122 26.667 -5.680 9.794 1.00 13.24 H new ATOM 0 HB1 ALA A 122 25.118 -7.411 10.645 1.00 42.31 H new ATOM 0 HB2 ALA A 122 24.469 -6.597 9.202 1.00 42.31 H new ATOM 0 HB3 ALA A 122 25.173 -8.226 9.064 1.00 42.31 H new ATOM 1987 N VAL A 123 28.311 -8.363 9.036 1.00 62.40 N ATOM 1988 CA VAL A 123 29.379 -9.259 9.465 1.00 0.42 C ATOM 1989 C VAL A 123 30.724 -8.541 9.484 1.00 13.42 C ATOM 1990 O VAL A 123 31.573 -8.814 10.332 1.00 54.33 O ATOM 1991 CB VAL A 123 29.481 -10.491 8.547 1.00 33.45 C ATOM 1992 CG1 VAL A 123 30.767 -11.256 8.820 1.00 2.33 C ATOM 1993 CG2 VAL A 123 28.268 -11.391 8.728 1.00 33.34 C ATOM 0 H VAL A 123 28.073 -8.434 8.047 1.00 62.40 H new ATOM 0 HA VAL A 123 29.130 -9.587 10.474 1.00 0.42 H new ATOM 0 HB VAL A 123 29.502 -10.150 7.512 1.00 33.45 H new ATOM 0 HG11 VAL A 123 30.821 -12.123 8.162 1.00 2.33 H new ATOM 0 HG12 VAL A 123 31.623 -10.607 8.636 1.00 2.33 H new ATOM 0 HG13 VAL A 123 30.780 -11.587 9.858 1.00 2.33 H new ATOM 0 HG21 VAL A 123 28.356 -12.257 8.072 1.00 33.34 H new ATOM 0 HG22 VAL A 123 28.214 -11.725 9.764 1.00 33.34 H new ATOM 0 HG23 VAL A 123 27.363 -10.837 8.478 1.00 33.34 H new ATOM 2003 N ASN A 124 30.910 -7.620 8.544 1.00 63.23 N ATOM 2004 CA ASN A 124 32.153 -6.862 8.452 1.00 14.22 C ATOM 2005 C ASN A 124 32.419 -6.096 9.744 1.00 11.15 C ATOM 2006 O ASN A 124 33.539 -6.089 10.256 1.00 51.43 O ATOM 2007 CB ASN A 124 32.095 -5.889 7.272 1.00 21.34 C ATOM 2008 CG ASN A 124 32.601 -6.511 5.985 1.00 33.51 C ATOM 2009 OD1 ASN A 124 33.648 -6.126 5.466 1.00 63.01 O ATOM 2010 ND2 ASN A 124 31.856 -7.479 5.464 1.00 72.35 N ATOM 0 H ASN A 124 30.216 -7.381 7.836 1.00 63.23 H new ATOM 0 HA ASN A 124 32.969 -7.567 8.293 1.00 14.22 H new ATOM 0 HB2 ASN A 124 31.067 -5.554 7.131 1.00 21.34 H new ATOM 0 HB3 ASN A 124 32.690 -5.005 7.504 1.00 21.34 H new ATOM 0 HD21 ASN A 124 32.145 -7.935 4.599 1.00 72.35 H new ATOM 0 HD22 ASN A 124 30.995 -7.766 5.929 1.00 72.35 H new ATOM 2017 N LYS A 125 31.381 -5.452 10.269 1.00 65.14 N ATOM 2018 CA LYS A 125 31.501 -4.684 11.502 1.00 32.23 C ATOM 2019 C LYS A 125 32.155 -5.517 12.600 1.00 10.33 C ATOM 2020 O LYS A 125 32.861 -4.985 13.458 1.00 54.20 O ATOM 2021 CB LYS A 125 30.123 -4.204 11.964 1.00 72.41 C ATOM 2022 CG LYS A 125 29.261 -5.307 12.554 1.00 22.14 C ATOM 2023 CD LYS A 125 29.337 -5.322 14.072 1.00 53.50 C ATOM 2024 CE LYS A 125 28.555 -4.167 14.680 1.00 74.31 C ATOM 2025 NZ LYS A 125 29.455 -3.107 15.212 1.00 35.02 N ATOM 0 H LYS A 125 30.447 -5.447 9.859 1.00 65.14 H new ATOM 0 HA LYS A 125 32.132 -3.818 11.302 1.00 32.23 H new ATOM 0 HB2 LYS A 125 30.252 -3.418 12.708 1.00 72.41 H new ATOM 0 HB3 LYS A 125 29.600 -3.759 11.118 1.00 72.41 H new ATOM 0 HG2 LYS A 125 28.226 -5.168 12.242 1.00 22.14 H new ATOM 0 HG3 LYS A 125 29.585 -6.272 12.163 1.00 22.14 H new ATOM 0 HD2 LYS A 125 28.944 -6.267 14.448 1.00 53.50 H new ATOM 0 HD3 LYS A 125 30.379 -5.263 14.386 1.00 53.50 H new ATOM 0 HE2 LYS A 125 27.895 -3.738 13.926 1.00 74.31 H new ATOM 0 HE3 LYS A 125 27.920 -4.541 15.483 1.00 74.31 H new ATOM 0 HZ1 LYS A 125 29.018 -2.667 16.047 1.00 35.02 H new ATOM 0 HZ2 LYS A 125 30.367 -3.529 15.481 1.00 35.02 H new ATOM 0 HZ3 LYS A 125 29.610 -2.384 14.481 1.00 35.02 H new ATOM 2039 N ILE A 126 31.917 -6.823 12.567 1.00 63.53 N ATOM 2040 CA ILE A 126 32.486 -7.729 13.558 1.00 50.43 C ATOM 2041 C ILE A 126 34.010 -7.682 13.534 1.00 60.30 C ATOM 2042 O ILE A 126 34.654 -7.573 14.577 1.00 71.20 O ATOM 2043 CB ILE A 126 32.024 -9.179 13.326 1.00 70.42 C ATOM 2044 CG1 ILE A 126 30.496 -9.259 13.337 1.00 20.14 C ATOM 2045 CG2 ILE A 126 32.616 -10.099 14.383 1.00 31.13 C ATOM 2046 CD1 ILE A 126 29.954 -10.543 12.750 1.00 35.45 C ATOM 0 H ILE A 126 31.334 -7.278 11.865 1.00 63.53 H new ATOM 0 HA ILE A 126 32.130 -7.395 14.533 1.00 50.43 H new ATOM 0 HB ILE A 126 32.379 -9.506 12.348 1.00 70.42 H new ATOM 0 HG12 ILE A 126 30.143 -9.161 14.363 1.00 20.14 H new ATOM 0 HG13 ILE A 126 30.092 -8.415 12.778 1.00 20.14 H new ATOM 0 HG21 ILE A 126 32.280 -11.121 14.206 1.00 31.13 H new ATOM 0 HG22 ILE A 126 33.704 -10.060 14.331 1.00 31.13 H new ATOM 0 HG23 ILE A 126 32.289 -9.776 15.371 1.00 31.13 H new ATOM 0 HD11 ILE A 126 28.865 -10.530 12.791 1.00 35.45 H new ATOM 0 HD12 ILE A 126 30.277 -10.634 11.713 1.00 35.45 H new ATOM 0 HD13 ILE A 126 30.329 -11.391 13.323 1.00 35.45 H new ATOM 2058 N MET A 127 34.580 -7.764 12.336 1.00 24.44 N ATOM 2059 CA MET A 127 36.030 -7.729 12.177 1.00 55.34 C ATOM 2060 C MET A 127 36.627 -6.525 12.899 1.00 54.14 C ATOM 2061 O MET A 127 37.732 -6.596 13.438 1.00 74.12 O ATOM 2062 CB MET A 127 36.399 -7.683 10.693 1.00 65.22 C ATOM 2063 CG MET A 127 36.702 -9.050 10.100 1.00 52.23 C ATOM 2064 SD MET A 127 38.462 -9.305 9.806 1.00 63.41 S ATOM 2065 CE MET A 127 39.127 -8.996 11.440 1.00 13.12 C ATOM 0 H MET A 127 34.061 -7.855 11.462 1.00 24.44 H new ATOM 0 HA MET A 127 36.442 -8.636 12.619 1.00 55.34 H new ATOM 0 HB2 MET A 127 35.579 -7.228 10.137 1.00 65.22 H new ATOM 0 HB3 MET A 127 37.268 -7.039 10.563 1.00 65.22 H new ATOM 0 HG2 MET A 127 36.334 -9.824 10.774 1.00 52.23 H new ATOM 0 HG3 MET A 127 36.161 -9.162 9.161 1.00 52.23 H new ATOM 0 HE1 MET A 127 40.151 -9.367 11.492 1.00 13.12 H new ATOM 0 HE2 MET A 127 39.119 -7.924 11.640 1.00 13.12 H new ATOM 0 HE3 MET A 127 38.517 -9.508 12.184 1.00 13.12 H new ATOM 2075 N THR A 128 35.889 -5.419 12.905 1.00 2.34 N ATOM 2076 CA THR A 128 36.347 -4.199 13.560 1.00 75.34 C ATOM 2077 C THR A 128 36.786 -4.476 14.993 1.00 41.03 C ATOM 2078 O THR A 128 37.719 -3.851 15.497 1.00 55.24 O ATOM 2079 CB THR A 128 35.246 -3.121 13.571 1.00 22.52 C ATOM 2080 OG1 THR A 128 34.661 -3.005 12.270 1.00 75.23 O ATOM 2081 CG2 THR A 128 35.811 -1.776 14.001 1.00 42.13 C ATOM 0 H THR A 128 34.972 -5.343 12.464 1.00 2.34 H new ATOM 0 HA THR A 128 37.199 -3.833 12.987 1.00 75.34 H new ATOM 0 HB THR A 128 34.481 -3.421 14.287 1.00 22.52 H new ATOM 0 HG1 THR A 128 33.961 -2.319 12.286 1.00 75.23 H new ATOM 0 HG21 THR A 128 35.016 -1.031 14.001 1.00 42.13 H new ATOM 0 HG22 THR A 128 36.229 -1.861 15.004 1.00 42.13 H new ATOM 0 HG23 THR A 128 36.594 -1.471 13.306 1.00 42.13 H new ATOM 2089 N GLU A 129 36.109 -5.417 15.643 1.00 0.15 N ATOM 2090 CA GLU A 129 36.431 -5.775 17.020 1.00 63.33 C ATOM 2091 C GLU A 129 37.864 -6.289 17.127 1.00 43.31 C ATOM 2092 O GLU A 129 38.575 -5.984 18.084 1.00 54.41 O ATOM 2093 CB GLU A 129 35.458 -6.837 17.535 1.00 74.20 C ATOM 2094 CG GLU A 129 35.714 -7.251 18.974 1.00 1.03 C ATOM 2095 CD GLU A 129 35.815 -6.065 19.913 1.00 10.43 C ATOM 2096 OE1 GLU A 129 34.758 -5.533 20.312 1.00 34.14 O ATOM 2097 OE2 GLU A 129 36.950 -5.668 20.249 1.00 43.53 O ATOM 0 H GLU A 129 35.335 -5.945 15.239 1.00 0.15 H new ATOM 0 HA GLU A 129 36.337 -4.879 17.633 1.00 63.33 H new ATOM 0 HB2 GLU A 129 34.440 -6.456 17.451 1.00 74.20 H new ATOM 0 HB3 GLU A 129 35.523 -7.717 16.896 1.00 74.20 H new ATOM 0 HG2 GLU A 129 34.910 -7.907 19.308 1.00 1.03 H new ATOM 0 HG3 GLU A 129 36.637 -7.828 19.023 1.00 1.03 H new ATOM 2104 N GLY A 130 38.282 -7.072 16.137 1.00 41.54 N ATOM 2105 CA GLY A 130 39.627 -7.616 16.138 1.00 4.23 C ATOM 2106 C GLY A 130 40.668 -6.590 15.736 1.00 63.02 C ATOM 2107 O GLY A 130 41.745 -6.523 16.329 1.00 71.03 O ATOM 0 H GLY A 130 37.713 -7.339 15.334 1.00 41.54 H new ATOM 0 HA2 GLY A 130 39.861 -7.996 17.132 1.00 4.23 H new ATOM 0 HA3 GLY A 130 39.673 -8.463 15.454 1.00 4.23 H new TER 2111 GLY A 130