USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 53 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 1.2: A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 0 SER N :NH3+ -142:sc= 0.0693 (180deg=0) USER MOD Single : A 0 SER OG : rot -160:sc= 0.315 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -105:sc= -1.25 (180deg=-3.71!) USER MOD Single : A 13 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 19 CYS SG : rot -157:sc= -0.773 USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 1.02 (180deg=0.344) USER MOD Single : A 24 SER OG : rot -160:sc= -0.335 USER MOD Single : A 27 HIS : no HE2:sc= -5.87! C(o=-5.9!,f=-5.7!) USER MOD Single : A 28 LYS NZ :NH3+ 126:sc= -0.118 (180deg=-0.801) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0429) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -20:sc= -11.6! USER MOD Single : A 37 SER OG : rot 160:sc= -0.105 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= -8.16! (180deg=-8.17!) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -0.096 (180deg=-1.13) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 177:sc= 0.772 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -4.05! C(o=-4.1!,f=-18!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc=-0.00641 USER MOD Single : A 83 THR OG1 : rot 89:sc= -0.734 USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.00408) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= 0.469 (180deg=0.16) USER MOD Single : A 106 MET CE :methyl -162:sc= -7! (180deg=-9.36!) USER MOD Single : A 108 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.261) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 4.626 1.540 -1.785 1.00 61.44 N ATOM 2 CA SER A 0 3.623 0.943 -0.920 1.00 12.21 C ATOM 3 C SER A 0 3.812 -0.574 -0.867 1.00 62.12 C ATOM 4 O SER A 0 4.317 -1.106 0.120 1.00 64.41 O ATOM 5 CB SER A 0 2.210 1.286 -1.397 1.00 61.51 C ATOM 6 OG SER A 0 2.060 1.094 -2.801 1.00 73.22 O ATOM 0 H1 SER A 0 4.940 2.445 -1.380 1.00 61.44 H new ATOM 0 H2 SER A 0 5.439 0.897 -1.868 1.00 61.44 H new ATOM 0 H3 SER A 0 4.218 1.706 -2.727 1.00 61.44 H new ATOM 0 HA SER A 0 3.749 1.353 0.082 1.00 12.21 H new ATOM 0 HB2 SER A 0 1.488 0.665 -0.867 1.00 61.51 H new ATOM 0 HB3 SER A 0 1.984 2.323 -1.147 1.00 61.51 H new ATOM 0 HG SER A 0 1.287 1.604 -3.120 1.00 73.22 H new ATOM 12 N MET A 1 3.397 -1.228 -1.942 1.00 53.22 N ATOM 13 CA MET A 1 3.514 -2.673 -2.031 1.00 23.40 C ATOM 14 C MET A 1 4.881 -3.144 -1.530 1.00 30.25 C ATOM 15 O MET A 1 5.853 -3.154 -2.283 1.00 70.33 O ATOM 16 CB MET A 1 3.324 -3.113 -3.484 1.00 43.21 C ATOM 17 CG MET A 1 3.993 -2.129 -4.446 1.00 65.23 C ATOM 18 SD MET A 1 4.488 -2.975 -5.938 1.00 70.31 S ATOM 19 CE MET A 1 3.005 -2.778 -6.912 1.00 44.14 C ATOM 0 H MET A 1 2.979 -0.783 -2.759 1.00 53.22 H new ATOM 0 HA MET A 1 2.743 -3.120 -1.403 1.00 23.40 H new ATOM 0 HB2 MET A 1 3.746 -4.108 -3.625 1.00 43.21 H new ATOM 0 HB3 MET A 1 2.260 -3.183 -3.711 1.00 43.21 H new ATOM 0 HG2 MET A 1 3.304 -1.320 -4.688 1.00 65.23 H new ATOM 0 HG3 MET A 1 4.862 -1.676 -3.970 1.00 65.23 H new ATOM 0 HE1 MET A 1 3.142 -3.252 -7.884 1.00 44.14 H new ATOM 0 HE2 MET A 1 2.166 -3.245 -6.396 1.00 44.14 H new ATOM 0 HE3 MET A 1 2.800 -1.717 -7.052 1.00 44.14 H new ATOM 29 N ALA A 2 4.912 -3.523 -0.260 1.00 53.22 N ATOM 30 CA ALA A 2 6.143 -3.994 0.351 1.00 41.43 C ATOM 31 C ALA A 2 6.384 -5.449 -0.054 1.00 62.23 C ATOM 32 O ALA A 2 7.499 -5.819 -0.420 1.00 31.13 O ATOM 33 CB ALA A 2 6.060 -3.817 1.868 1.00 4.42 C ATOM 0 H ALA A 2 4.104 -3.513 0.362 1.00 53.22 H new ATOM 0 HA ALA A 2 6.994 -3.409 0.001 1.00 41.43 H new ATOM 0 HB1 ALA A 2 6.984 -4.170 2.327 1.00 4.42 H new ATOM 0 HB2 ALA A 2 5.918 -2.762 2.104 1.00 4.42 H new ATOM 0 HB3 ALA A 2 5.219 -4.392 2.256 1.00 4.42 H new ATOM 39 N PHE A 3 5.321 -6.236 0.024 1.00 10.34 N ATOM 40 CA PHE A 3 5.403 -7.643 -0.329 1.00 50.34 C ATOM 41 C PHE A 3 6.004 -7.823 -1.725 1.00 11.00 C ATOM 42 O PHE A 3 6.485 -8.904 -2.063 1.00 12.53 O ATOM 43 CB PHE A 3 3.974 -8.188 -0.328 1.00 74.22 C ATOM 44 CG PHE A 3 3.536 -8.783 1.012 1.00 54.32 C ATOM 45 CD1 PHE A 3 4.042 -9.976 1.424 1.00 13.23 C ATOM 46 CD2 PHE A 3 2.640 -8.118 1.790 1.00 23.24 C ATOM 47 CE1 PHE A 3 3.635 -10.528 2.668 1.00 42.41 C ATOM 48 CE2 PHE A 3 2.234 -8.670 3.034 1.00 33.11 C ATOM 49 CZ PHE A 3 2.740 -9.863 3.447 1.00 72.25 C ATOM 0 H PHE A 3 4.398 -5.926 0.327 1.00 10.34 H new ATOM 0 HA PHE A 3 6.039 -8.169 0.382 1.00 50.34 H new ATOM 0 HB2 PHE A 3 3.289 -7.384 -0.598 1.00 74.22 H new ATOM 0 HB3 PHE A 3 3.887 -8.953 -1.099 1.00 74.22 H new ATOM 0 HD1 PHE A 3 4.753 -10.504 0.806 1.00 13.23 H new ATOM 0 HD2 PHE A 3 2.238 -7.171 1.462 1.00 23.24 H new ATOM 0 HE1 PHE A 3 4.036 -11.476 2.995 1.00 42.41 H new ATOM 0 HE2 PHE A 3 1.523 -8.142 3.652 1.00 33.11 H new ATOM 0 HZ PHE A 3 2.431 -10.282 4.393 1.00 72.25 H new ATOM 59 N ALA A 4 5.957 -6.748 -2.498 1.00 73.11 N ATOM 60 CA ALA A 4 6.490 -6.774 -3.849 1.00 65.03 C ATOM 61 C ALA A 4 7.934 -7.279 -3.813 1.00 62.11 C ATOM 62 O ALA A 4 8.456 -7.750 -4.822 1.00 63.42 O ATOM 63 CB ALA A 4 6.376 -5.381 -4.471 1.00 14.44 C ATOM 0 H ALA A 4 5.558 -5.853 -2.214 1.00 73.11 H new ATOM 0 HA ALA A 4 5.916 -7.458 -4.474 1.00 65.03 H new ATOM 0 HB1 ALA A 4 6.776 -5.401 -5.485 1.00 14.44 H new ATOM 0 HB2 ALA A 4 5.329 -5.080 -4.500 1.00 14.44 H new ATOM 0 HB3 ALA A 4 6.942 -4.668 -3.872 1.00 14.44 H new ATOM 69 N SER A 5 8.539 -7.163 -2.640 1.00 34.43 N ATOM 70 CA SER A 5 9.912 -7.602 -2.459 1.00 31.53 C ATOM 71 C SER A 5 9.937 -8.993 -1.821 1.00 71.12 C ATOM 72 O SER A 5 10.683 -9.867 -2.259 1.00 71.53 O ATOM 73 CB SER A 5 10.698 -6.610 -1.600 1.00 25.53 C ATOM 74 OG SER A 5 12.039 -7.042 -1.378 1.00 54.43 O ATOM 0 H SER A 5 8.103 -6.771 -1.805 1.00 34.43 H new ATOM 0 HA SER A 5 10.388 -7.650 -3.438 1.00 31.53 H new ATOM 0 HB2 SER A 5 10.707 -5.635 -2.088 1.00 25.53 H new ATOM 0 HB3 SER A 5 10.195 -6.482 -0.642 1.00 25.53 H new ATOM 0 HG SER A 5 12.508 -6.381 -0.827 1.00 54.43 H new ATOM 80 N VAL A 6 9.112 -9.154 -0.797 1.00 24.23 N ATOM 81 CA VAL A 6 9.031 -10.424 -0.094 1.00 54.43 C ATOM 82 C VAL A 6 8.516 -11.500 -1.053 1.00 4.41 C ATOM 83 O VAL A 6 9.221 -12.466 -1.343 1.00 13.51 O ATOM 84 CB VAL A 6 8.163 -10.274 1.157 1.00 24.23 C ATOM 85 CG1 VAL A 6 8.371 -11.452 2.112 1.00 75.04 C ATOM 86 CG2 VAL A 6 8.440 -8.944 1.860 1.00 11.32 C ATOM 0 H VAL A 6 8.494 -8.427 -0.437 1.00 24.23 H new ATOM 0 HA VAL A 6 10.018 -10.737 0.246 1.00 54.43 H new ATOM 0 HB VAL A 6 7.119 -10.276 0.843 1.00 24.23 H new ATOM 0 HG11 VAL A 6 7.743 -11.321 2.993 1.00 75.04 H new ATOM 0 HG12 VAL A 6 8.101 -12.380 1.609 1.00 75.04 H new ATOM 0 HG13 VAL A 6 9.417 -11.494 2.415 1.00 75.04 H new ATOM 0 HG21 VAL A 6 7.810 -8.863 2.746 1.00 11.32 H new ATOM 0 HG22 VAL A 6 9.488 -8.900 2.155 1.00 11.32 H new ATOM 0 HG23 VAL A 6 8.219 -8.121 1.181 1.00 11.32 H new ATOM 96 N LEU A 7 7.293 -11.297 -1.518 1.00 53.52 N ATOM 97 CA LEU A 7 6.676 -12.237 -2.438 1.00 61.31 C ATOM 98 C LEU A 7 6.662 -11.634 -3.844 1.00 73.11 C ATOM 99 O LEU A 7 7.174 -10.537 -4.058 1.00 2.41 O ATOM 100 CB LEU A 7 5.293 -12.652 -1.933 1.00 32.33 C ATOM 101 CG LEU A 7 5.207 -13.040 -0.455 1.00 61.01 C ATOM 102 CD1 LEU A 7 3.848 -12.659 0.134 1.00 55.23 C ATOM 103 CD2 LEU A 7 5.521 -14.525 -0.259 1.00 11.53 C ATOM 0 H LEU A 7 6.712 -10.495 -1.275 1.00 53.52 H new ATOM 0 HA LEU A 7 7.259 -13.156 -2.491 1.00 61.31 H new ATOM 0 HB2 LEU A 7 4.600 -11.830 -2.113 1.00 32.33 H new ATOM 0 HB3 LEU A 7 4.948 -13.496 -2.530 1.00 32.33 H new ATOM 0 HG LEU A 7 5.963 -12.476 0.091 1.00 61.01 H new ATOM 0 HD11 LEU A 7 3.814 -12.946 1.185 1.00 55.23 H new ATOM 0 HD12 LEU A 7 3.703 -11.582 0.047 1.00 55.23 H new ATOM 0 HD13 LEU A 7 3.058 -13.177 -0.409 1.00 55.23 H new ATOM 0 HD21 LEU A 7 5.453 -14.775 0.800 1.00 11.53 H new ATOM 0 HD22 LEU A 7 4.805 -15.125 -0.820 1.00 11.53 H new ATOM 0 HD23 LEU A 7 6.529 -14.734 -0.617 1.00 11.53 H new ATOM 115 N LYS A 8 6.069 -12.378 -4.766 1.00 61.14 N ATOM 116 CA LYS A 8 5.981 -11.930 -6.146 1.00 62.50 C ATOM 117 C LYS A 8 4.745 -11.045 -6.313 1.00 35.24 C ATOM 118 O LYS A 8 3.644 -11.431 -5.923 1.00 15.24 O ATOM 119 CB LYS A 8 6.015 -13.126 -7.100 1.00 52.13 C ATOM 120 CG LYS A 8 7.055 -14.155 -6.653 1.00 74.42 C ATOM 121 CD LYS A 8 8.468 -13.574 -6.725 1.00 10.33 C ATOM 122 CE LYS A 8 8.983 -13.560 -8.165 1.00 52.24 C ATOM 123 NZ LYS A 8 8.434 -12.398 -8.901 1.00 31.53 N ATOM 0 H LYS A 8 5.645 -13.288 -4.585 1.00 61.14 H new ATOM 0 HA LYS A 8 6.847 -11.320 -6.405 1.00 62.50 H new ATOM 0 HB2 LYS A 8 5.031 -13.592 -7.139 1.00 52.13 H new ATOM 0 HB3 LYS A 8 6.247 -12.784 -8.109 1.00 52.13 H new ATOM 0 HG2 LYS A 8 6.841 -14.474 -5.633 1.00 74.42 H new ATOM 0 HG3 LYS A 8 6.990 -15.041 -7.285 1.00 74.42 H new ATOM 0 HD2 LYS A 8 8.469 -12.560 -6.325 1.00 10.33 H new ATOM 0 HD3 LYS A 8 9.140 -14.163 -6.101 1.00 10.33 H new ATOM 0 HE2 LYS A 8 10.072 -13.518 -8.168 1.00 52.24 H new ATOM 0 HE3 LYS A 8 8.699 -14.484 -8.668 1.00 52.24 H new ATOM 0 HZ1 LYS A 8 7.689 -12.720 -9.552 1.00 31.53 H new ATOM 0 HZ2 LYS A 8 8.033 -11.717 -8.225 1.00 31.53 H new ATOM 0 HZ3 LYS A 8 9.194 -11.940 -9.444 1.00 31.53 H new ATOM 136 N ASP A 9 4.968 -9.875 -6.892 1.00 54.14 N ATOM 137 CA ASP A 9 3.885 -8.932 -7.115 1.00 41.33 C ATOM 138 C ASP A 9 2.771 -9.618 -7.909 1.00 25.34 C ATOM 139 O ASP A 9 1.594 -9.316 -7.721 1.00 31.51 O ATOM 140 CB ASP A 9 4.365 -7.724 -7.922 1.00 54.44 C ATOM 141 CG ASP A 9 4.891 -6.555 -7.086 1.00 61.35 C ATOM 142 OD1 ASP A 9 4.117 -5.826 -6.450 1.00 13.52 O ATOM 143 OD2 ASP A 9 6.172 -6.405 -7.105 1.00 62.23 O ATOM 0 H ASP A 9 5.883 -9.558 -7.214 1.00 54.14 H new ATOM 0 HA ASP A 9 3.524 -8.597 -6.142 1.00 41.33 H new ATOM 0 HB2 ASP A 9 5.154 -8.049 -8.601 1.00 54.44 H new ATOM 0 HB3 ASP A 9 3.540 -7.368 -8.539 1.00 54.44 H new ATOM 149 N ALA A 10 3.183 -10.529 -8.778 1.00 43.14 N ATOM 150 CA ALA A 10 2.235 -11.261 -9.601 1.00 1.10 C ATOM 151 C ALA A 10 1.546 -12.329 -8.750 1.00 23.34 C ATOM 152 O ALA A 10 0.444 -12.769 -9.072 1.00 32.22 O ATOM 153 CB ALA A 10 2.961 -11.856 -10.809 1.00 75.43 C ATOM 0 H ALA A 10 4.161 -10.777 -8.930 1.00 43.14 H new ATOM 0 HA ALA A 10 1.462 -10.594 -9.982 1.00 1.10 H new ATOM 0 HB1 ALA A 10 2.250 -12.405 -11.426 1.00 75.43 H new ATOM 0 HB2 ALA A 10 3.408 -11.054 -11.396 1.00 75.43 H new ATOM 0 HB3 ALA A 10 3.743 -12.534 -10.466 1.00 75.43 H new ATOM 159 N GLU A 11 2.225 -12.716 -7.679 1.00 41.15 N ATOM 160 CA GLU A 11 1.692 -13.725 -6.779 1.00 43.54 C ATOM 161 C GLU A 11 0.650 -13.106 -5.846 1.00 11.40 C ATOM 162 O GLU A 11 -0.461 -13.619 -5.723 1.00 52.13 O ATOM 163 CB GLU A 11 2.813 -14.395 -5.982 1.00 51.21 C ATOM 164 CG GLU A 11 3.500 -15.483 -6.810 1.00 34.02 C ATOM 165 CD GLU A 11 4.709 -16.055 -6.068 1.00 31.44 C ATOM 166 OE1 GLU A 11 4.852 -15.838 -4.855 1.00 70.12 O ATOM 167 OE2 GLU A 11 5.517 -16.749 -6.795 1.00 70.33 O ATOM 0 H GLU A 11 3.139 -12.349 -7.415 1.00 41.15 H new ATOM 0 HA GLU A 11 1.204 -14.496 -7.376 1.00 43.54 H new ATOM 0 HB2 GLU A 11 3.545 -13.647 -5.679 1.00 51.21 H new ATOM 0 HB3 GLU A 11 2.405 -14.830 -5.070 1.00 51.21 H new ATOM 0 HG2 GLU A 11 2.791 -16.282 -7.027 1.00 34.02 H new ATOM 0 HG3 GLU A 11 3.818 -15.070 -7.767 1.00 34.02 H new ATOM 175 N VAL A 12 1.045 -12.012 -5.212 1.00 3.41 N ATOM 176 CA VAL A 12 0.159 -11.317 -4.293 1.00 70.33 C ATOM 177 C VAL A 12 -0.990 -10.684 -5.081 1.00 1.03 C ATOM 178 O VAL A 12 -2.110 -10.587 -4.582 1.00 31.53 O ATOM 179 CB VAL A 12 0.951 -10.300 -3.470 1.00 24.13 C ATOM 180 CG1 VAL A 12 2.157 -10.960 -2.796 1.00 55.43 C ATOM 181 CG2 VAL A 12 1.387 -9.115 -4.334 1.00 14.22 C ATOM 0 H VAL A 12 1.967 -11.589 -5.316 1.00 3.41 H new ATOM 0 HA VAL A 12 -0.280 -12.017 -3.583 1.00 70.33 H new ATOM 0 HB VAL A 12 0.295 -9.920 -2.687 1.00 24.13 H new ATOM 0 HG11 VAL A 12 2.703 -10.215 -2.217 1.00 55.43 H new ATOM 0 HG12 VAL A 12 1.814 -11.754 -2.133 1.00 55.43 H new ATOM 0 HG13 VAL A 12 2.814 -11.381 -3.557 1.00 55.43 H new ATOM 0 HG21 VAL A 12 1.948 -8.407 -3.724 1.00 14.22 H new ATOM 0 HG22 VAL A 12 2.017 -9.471 -5.149 1.00 14.22 H new ATOM 0 HG23 VAL A 12 0.507 -8.621 -4.745 1.00 14.22 H new ATOM 191 N THR A 13 -0.672 -10.269 -6.298 1.00 53.31 N ATOM 192 CA THR A 13 -1.664 -9.647 -7.159 1.00 71.33 C ATOM 193 C THR A 13 -2.884 -10.558 -7.311 1.00 61.04 C ATOM 194 O THR A 13 -4.018 -10.120 -7.121 1.00 25.42 O ATOM 195 CB THR A 13 -0.989 -9.308 -8.490 1.00 30.42 C ATOM 196 OG1 THR A 13 -0.376 -8.044 -8.256 1.00 2.43 O ATOM 197 CG2 THR A 13 -1.999 -9.032 -9.605 1.00 51.02 C ATOM 0 H THR A 13 0.258 -10.351 -6.709 1.00 53.31 H new ATOM 0 HA THR A 13 -2.041 -8.721 -6.724 1.00 71.33 H new ATOM 0 HB THR A 13 -0.337 -10.130 -8.786 1.00 30.42 H new ATOM 0 HG1 THR A 13 0.511 -8.179 -7.861 1.00 2.43 H new ATOM 0 HG21 THR A 13 -1.468 -8.797 -10.527 1.00 51.02 H new ATOM 0 HG22 THR A 13 -2.621 -9.914 -9.759 1.00 51.02 H new ATOM 0 HG23 THR A 13 -2.629 -8.188 -9.324 1.00 51.02 H new ATOM 205 N ALA A 14 -2.610 -11.808 -7.653 1.00 61.44 N ATOM 206 CA ALA A 14 -3.671 -12.785 -7.833 1.00 41.34 C ATOM 207 C ALA A 14 -4.423 -12.963 -6.513 1.00 71.21 C ATOM 208 O ALA A 14 -5.554 -13.446 -6.499 1.00 73.14 O ATOM 209 CB ALA A 14 -3.075 -14.097 -8.347 1.00 74.03 C ATOM 0 H ALA A 14 -1.668 -12.167 -7.810 1.00 61.44 H new ATOM 0 HA ALA A 14 -4.389 -12.440 -8.577 1.00 41.34 H new ATOM 0 HB1 ALA A 14 -3.871 -14.830 -8.482 1.00 74.03 H new ATOM 0 HB2 ALA A 14 -2.577 -13.922 -9.301 1.00 74.03 H new ATOM 0 HB3 ALA A 14 -2.352 -14.476 -7.625 1.00 74.03 H new ATOM 215 N ALA A 15 -3.764 -12.564 -5.435 1.00 74.00 N ATOM 216 CA ALA A 15 -4.357 -12.674 -4.113 1.00 3.13 C ATOM 217 C ALA A 15 -5.196 -11.426 -3.829 1.00 64.22 C ATOM 218 O ALA A 15 -6.171 -11.486 -3.082 1.00 71.23 O ATOM 219 CB ALA A 15 -3.253 -12.882 -3.074 1.00 64.53 C ATOM 0 H ALA A 15 -2.826 -12.164 -5.450 1.00 74.00 H new ATOM 0 HA ALA A 15 -5.021 -13.537 -4.061 1.00 3.13 H new ATOM 0 HB1 ALA A 15 -3.698 -12.965 -2.082 1.00 64.53 H new ATOM 0 HB2 ALA A 15 -2.705 -13.796 -3.303 1.00 64.53 H new ATOM 0 HB3 ALA A 15 -2.569 -12.034 -3.095 1.00 64.53 H new ATOM 225 N LEU A 16 -4.785 -10.325 -4.440 1.00 52.35 N ATOM 226 CA LEU A 16 -5.487 -9.065 -4.263 1.00 43.31 C ATOM 227 C LEU A 16 -6.790 -9.094 -5.065 1.00 24.14 C ATOM 228 O LEU A 16 -7.793 -8.518 -4.647 1.00 21.13 O ATOM 229 CB LEU A 16 -4.574 -7.889 -4.616 1.00 42.24 C ATOM 230 CG LEU A 16 -3.762 -7.299 -3.461 1.00 61.33 C ATOM 231 CD1 LEU A 16 -2.608 -6.441 -3.984 1.00 33.11 C ATOM 232 CD2 LEU A 16 -4.663 -6.524 -2.498 1.00 4.22 C ATOM 0 H LEU A 16 -3.975 -10.279 -5.058 1.00 52.35 H new ATOM 0 HA LEU A 16 -5.759 -8.925 -3.217 1.00 43.31 H new ATOM 0 HB2 LEU A 16 -3.881 -8.213 -5.392 1.00 42.24 H new ATOM 0 HB3 LEU A 16 -5.186 -7.096 -5.046 1.00 42.24 H new ATOM 0 HG LEU A 16 -3.321 -8.121 -2.898 1.00 61.33 H new ATOM 0 HD11 LEU A 16 -2.047 -6.034 -3.143 1.00 33.11 H new ATOM 0 HD12 LEU A 16 -1.948 -7.054 -4.598 1.00 33.11 H new ATOM 0 HD13 LEU A 16 -3.006 -5.623 -4.585 1.00 33.11 H new ATOM 0 HD21 LEU A 16 -4.061 -6.115 -1.686 1.00 4.22 H new ATOM 0 HD22 LEU A 16 -5.152 -5.710 -3.033 1.00 4.22 H new ATOM 0 HD23 LEU A 16 -5.418 -7.194 -2.088 1.00 4.22 H new ATOM 244 N ASP A 17 -6.732 -9.771 -6.202 1.00 71.20 N ATOM 245 CA ASP A 17 -7.895 -9.883 -7.066 1.00 31.31 C ATOM 246 C ASP A 17 -8.774 -11.039 -6.584 1.00 23.35 C ATOM 247 O ASP A 17 -9.959 -11.099 -6.906 1.00 13.13 O ATOM 248 CB ASP A 17 -7.482 -10.174 -8.510 1.00 55.11 C ATOM 249 CG ASP A 17 -8.442 -9.641 -9.576 1.00 61.54 C ATOM 250 OD1 ASP A 17 -8.850 -10.373 -10.491 1.00 43.20 O ATOM 251 OD2 ASP A 17 -8.776 -8.403 -9.440 1.00 2.12 O ATOM 0 H ASP A 17 -5.898 -10.248 -6.545 1.00 71.20 H new ATOM 0 HA ASP A 17 -8.435 -8.937 -7.029 1.00 31.31 H new ATOM 0 HB2 ASP A 17 -6.495 -9.745 -8.684 1.00 55.11 H new ATOM 0 HB3 ASP A 17 -7.387 -11.253 -8.635 1.00 55.11 H new ATOM 257 N GLY A 18 -8.158 -11.929 -5.819 1.00 71.21 N ATOM 258 CA GLY A 18 -8.869 -13.080 -5.289 1.00 74.21 C ATOM 259 C GLY A 18 -9.928 -12.650 -4.272 1.00 11.22 C ATOM 260 O GLY A 18 -10.733 -13.466 -3.826 1.00 13.43 O ATOM 0 H GLY A 18 -7.175 -11.876 -5.554 1.00 71.21 H new ATOM 0 HA2 GLY A 18 -9.343 -13.626 -6.104 1.00 74.21 H new ATOM 0 HA3 GLY A 18 -8.162 -13.763 -4.817 1.00 74.21 H new ATOM 264 N CYS A 19 -9.893 -11.369 -3.935 1.00 2.12 N ATOM 265 CA CYS A 19 -10.839 -10.820 -2.978 1.00 72.35 C ATOM 266 C CYS A 19 -11.336 -9.475 -3.512 1.00 71.31 C ATOM 267 O CYS A 19 -11.709 -8.596 -2.737 1.00 51.43 O ATOM 268 CB CYS A 19 -10.223 -10.689 -1.584 1.00 43.34 C ATOM 269 SG CYS A 19 -9.170 -12.142 -1.226 1.00 42.11 S ATOM 0 H CYS A 19 -9.224 -10.695 -4.308 1.00 2.12 H new ATOM 0 HA CYS A 19 -11.683 -11.500 -2.867 1.00 72.35 H new ATOM 0 HB2 CYS A 19 -9.630 -9.776 -1.524 1.00 43.34 H new ATOM 0 HB3 CYS A 19 -11.011 -10.607 -0.835 1.00 43.34 H new ATOM 0 HG CYS A 19 -9.044 -12.280 0.060 1.00 42.11 H new ATOM 275 N LYS A 20 -11.325 -9.358 -4.832 1.00 12.23 N ATOM 276 CA LYS A 20 -11.770 -8.135 -5.478 1.00 12.31 C ATOM 277 C LYS A 20 -13.195 -7.812 -5.023 1.00 2.34 C ATOM 278 O LYS A 20 -13.500 -6.667 -4.693 1.00 13.22 O ATOM 279 CB LYS A 20 -11.620 -8.246 -6.996 1.00 52.14 C ATOM 280 CG LYS A 20 -12.421 -9.430 -7.541 1.00 72.33 C ATOM 281 CD LYS A 20 -11.775 -9.992 -8.809 1.00 71.23 C ATOM 282 CE LYS A 20 -12.336 -9.310 -10.059 1.00 3.23 C ATOM 283 NZ LYS A 20 -11.543 -9.682 -11.252 1.00 74.11 N ATOM 0 H LYS A 20 -11.015 -10.090 -5.471 1.00 12.23 H new ATOM 0 HA LYS A 20 -11.142 -7.296 -5.179 1.00 12.31 H new ATOM 0 HB2 LYS A 20 -11.961 -7.324 -7.467 1.00 52.14 H new ATOM 0 HB3 LYS A 20 -10.568 -8.365 -7.253 1.00 52.14 H new ATOM 0 HG2 LYS A 20 -12.483 -10.211 -6.783 1.00 72.33 H new ATOM 0 HG3 LYS A 20 -13.442 -9.114 -7.758 1.00 72.33 H new ATOM 0 HD2 LYS A 20 -10.695 -9.848 -8.766 1.00 71.23 H new ATOM 0 HD3 LYS A 20 -11.952 -11.066 -8.866 1.00 71.23 H new ATOM 0 HE2 LYS A 20 -13.377 -9.599 -10.202 1.00 3.23 H new ATOM 0 HE3 LYS A 20 -12.321 -8.228 -9.928 1.00 3.23 H new ATOM 0 HZ1 LYS A 20 -11.507 -8.877 -11.910 1.00 74.11 H new ATOM 0 HZ2 LYS A 20 -10.577 -9.935 -10.962 1.00 74.11 H new ATOM 0 HZ3 LYS A 20 -11.987 -10.496 -11.724 1.00 74.11 H new ATOM 296 N ALA A 21 -14.029 -8.841 -5.019 1.00 65.43 N ATOM 297 CA ALA A 21 -15.414 -8.682 -4.610 1.00 5.40 C ATOM 298 C ALA A 21 -15.469 -8.423 -3.103 1.00 22.00 C ATOM 299 O ALA A 21 -14.433 -8.284 -2.455 1.00 4.10 O ATOM 300 CB ALA A 21 -16.213 -9.920 -5.019 1.00 30.32 C ATOM 0 H ALA A 21 -13.772 -9.789 -5.293 1.00 65.43 H new ATOM 0 HA ALA A 21 -15.866 -7.824 -5.109 1.00 5.40 H new ATOM 0 HB1 ALA A 21 -17.252 -9.800 -4.712 1.00 30.32 H new ATOM 0 HB2 ALA A 21 -16.166 -10.042 -6.101 1.00 30.32 H new ATOM 0 HB3 ALA A 21 -15.791 -10.801 -4.536 1.00 30.32 H new ATOM 306 N ALA A 22 -16.689 -8.367 -2.589 1.00 43.50 N ATOM 307 CA ALA A 22 -16.893 -8.127 -1.170 1.00 63.24 C ATOM 308 C ALA A 22 -17.554 -9.354 -0.541 1.00 34.55 C ATOM 309 O ALA A 22 -18.520 -9.890 -1.083 1.00 23.54 O ATOM 310 CB ALA A 22 -17.723 -6.856 -0.981 1.00 44.22 C ATOM 0 H ALA A 22 -17.546 -8.484 -3.129 1.00 43.50 H new ATOM 0 HA ALA A 22 -15.939 -7.971 -0.666 1.00 63.24 H new ATOM 0 HB1 ALA A 22 -17.876 -6.676 0.083 1.00 44.22 H new ATOM 0 HB2 ALA A 22 -17.196 -6.009 -1.420 1.00 44.22 H new ATOM 0 HB3 ALA A 22 -18.689 -6.976 -1.471 1.00 44.22 H new ATOM 316 N GLY A 23 -17.009 -9.764 0.595 1.00 3.33 N ATOM 317 CA GLY A 23 -17.534 -10.918 1.305 1.00 50.12 C ATOM 318 C GLY A 23 -16.918 -12.214 0.775 1.00 22.31 C ATOM 319 O GLY A 23 -17.024 -13.261 1.412 1.00 64.54 O ATOM 0 H GLY A 23 -16.208 -9.317 1.042 1.00 3.33 H new ATOM 0 HA2 GLY A 23 -17.324 -10.820 2.370 1.00 50.12 H new ATOM 0 HA3 GLY A 23 -18.618 -10.955 1.195 1.00 50.12 H new ATOM 323 N SER A 24 -16.288 -12.102 -0.385 1.00 3.41 N ATOM 324 CA SER A 24 -15.654 -13.252 -1.007 1.00 55.35 C ATOM 325 C SER A 24 -14.216 -13.393 -0.505 1.00 34.34 C ATOM 326 O SER A 24 -13.543 -14.377 -0.808 1.00 42.21 O ATOM 327 CB SER A 24 -15.674 -13.133 -2.533 1.00 11.24 C ATOM 328 OG SER A 24 -16.759 -12.330 -2.992 1.00 24.24 O ATOM 0 H SER A 24 -16.203 -11.232 -0.911 1.00 3.41 H new ATOM 0 HA SER A 24 -16.217 -14.144 -0.731 1.00 55.35 H new ATOM 0 HB2 SER A 24 -14.733 -12.701 -2.875 1.00 11.24 H new ATOM 0 HB3 SER A 24 -15.747 -14.127 -2.973 1.00 11.24 H new ATOM 0 HG SER A 24 -16.935 -12.526 -3.936 1.00 24.24 H new ATOM 334 N PHE A 25 -13.789 -12.396 0.256 1.00 65.32 N ATOM 335 CA PHE A 25 -12.443 -12.397 0.804 1.00 63.33 C ATOM 336 C PHE A 25 -12.153 -13.705 1.544 1.00 40.31 C ATOM 337 O PHE A 25 -12.893 -14.087 2.448 1.00 34.34 O ATOM 338 CB PHE A 25 -12.363 -11.235 1.796 1.00 62.15 C ATOM 339 CG PHE A 25 -11.091 -11.229 2.646 1.00 61.10 C ATOM 340 CD1 PHE A 25 -9.890 -10.951 2.071 1.00 10.24 C ATOM 341 CD2 PHE A 25 -11.161 -11.502 3.976 1.00 32.24 C ATOM 342 CE1 PHE A 25 -8.710 -10.945 2.861 1.00 63.44 C ATOM 343 CE2 PHE A 25 -9.981 -11.497 4.766 1.00 43.23 C ATOM 344 CZ PHE A 25 -8.780 -11.218 4.191 1.00 22.50 C ATOM 0 H PHE A 25 -14.351 -11.582 0.506 1.00 65.32 H new ATOM 0 HA PHE A 25 -11.714 -12.296 -0.000 1.00 63.33 H new ATOM 0 HB2 PHE A 25 -12.424 -10.296 1.246 1.00 62.15 H new ATOM 0 HB3 PHE A 25 -13.229 -11.274 2.457 1.00 62.15 H new ATOM 0 HD1 PHE A 25 -9.834 -10.735 1.014 1.00 10.24 H new ATOM 0 HD2 PHE A 25 -12.115 -11.723 4.432 1.00 32.24 H new ATOM 0 HE1 PHE A 25 -7.756 -10.723 2.405 1.00 63.44 H new ATOM 0 HE2 PHE A 25 -10.037 -11.714 5.822 1.00 43.23 H new ATOM 0 HZ PHE A 25 -7.882 -11.213 4.791 1.00 22.50 H new ATOM 354 N ASP A 26 -11.074 -14.354 1.132 1.00 50.00 N ATOM 355 CA ASP A 26 -10.677 -15.610 1.745 1.00 72.44 C ATOM 356 C ASP A 26 -9.198 -15.541 2.129 1.00 41.40 C ATOM 357 O ASP A 26 -8.338 -16.024 1.394 1.00 34.51 O ATOM 358 CB ASP A 26 -10.859 -16.778 0.773 1.00 23.32 C ATOM 359 CG ASP A 26 -12.293 -17.294 0.642 1.00 13.42 C ATOM 360 OD1 ASP A 26 -13.218 -16.534 0.318 1.00 42.51 O ATOM 361 OD2 ASP A 26 -12.446 -18.550 0.892 1.00 13.11 O ATOM 0 H ASP A 26 -10.462 -14.034 0.381 1.00 50.00 H new ATOM 0 HA ASP A 26 -11.303 -15.769 2.623 1.00 72.44 H new ATOM 0 HB2 ASP A 26 -10.509 -16.469 -0.212 1.00 23.32 H new ATOM 0 HB3 ASP A 26 -10.221 -17.601 1.094 1.00 23.32 H new ATOM 367 N HIS A 27 -8.947 -14.935 3.280 1.00 5.40 N ATOM 368 CA HIS A 27 -7.586 -14.795 3.771 1.00 70.30 C ATOM 369 C HIS A 27 -6.806 -16.082 3.493 1.00 43.55 C ATOM 370 O HIS A 27 -5.826 -16.069 2.749 1.00 40.01 O ATOM 371 CB HIS A 27 -7.580 -14.406 5.251 1.00 64.44 C ATOM 372 CG HIS A 27 -8.583 -15.162 6.089 1.00 71.34 C ATOM 373 ND1 HIS A 27 -9.901 -14.762 6.222 1.00 74.54 N ATOM 374 CD2 HIS A 27 -8.448 -16.297 6.834 1.00 43.25 C ATOM 375 CE1 HIS A 27 -10.522 -15.624 7.014 1.00 61.32 C ATOM 376 NE2 HIS A 27 -9.619 -16.574 7.392 1.00 31.15 N ATOM 0 H HIS A 27 -9.663 -14.535 3.887 1.00 5.40 H new ATOM 0 HA HIS A 27 -7.085 -13.985 3.240 1.00 70.30 H new ATOM 0 HB2 HIS A 27 -6.582 -14.575 5.656 1.00 64.44 H new ATOM 0 HB3 HIS A 27 -7.782 -13.338 5.336 1.00 64.44 H new ATOM 0 HD1 HIS A 27 -10.323 -13.943 5.785 1.00 74.54 H new ATOM 0 HD2 HIS A 27 -7.541 -16.872 6.950 1.00 43.25 H new ATOM 0 HE1 HIS A 27 -11.560 -15.582 7.308 1.00 61.32 H new ATOM 384 N LYS A 28 -7.270 -17.161 4.104 1.00 24.25 N ATOM 385 CA LYS A 28 -6.628 -18.453 3.932 1.00 65.21 C ATOM 386 C LYS A 28 -6.225 -18.626 2.466 1.00 73.31 C ATOM 387 O LYS A 28 -5.071 -18.930 2.167 1.00 54.32 O ATOM 388 CB LYS A 28 -7.527 -19.573 4.459 1.00 21.11 C ATOM 389 CG LYS A 28 -8.877 -19.576 3.740 1.00 74.32 C ATOM 390 CD LYS A 28 -9.934 -20.318 4.561 1.00 70.43 C ATOM 391 CE LYS A 28 -11.039 -20.872 3.659 1.00 15.32 C ATOM 392 NZ LYS A 28 -10.492 -21.885 2.730 1.00 21.43 N ATOM 0 H LYS A 28 -8.083 -17.168 4.719 1.00 24.25 H new ATOM 0 HA LYS A 28 -5.714 -18.506 4.523 1.00 65.21 H new ATOM 0 HB2 LYS A 28 -7.035 -20.535 4.320 1.00 21.11 H new ATOM 0 HB3 LYS A 28 -7.682 -19.446 5.530 1.00 21.11 H new ATOM 0 HG2 LYS A 28 -9.202 -18.550 3.564 1.00 74.32 H new ATOM 0 HG3 LYS A 28 -8.772 -20.049 2.764 1.00 74.32 H new ATOM 0 HD2 LYS A 28 -9.466 -21.134 5.111 1.00 70.43 H new ATOM 0 HD3 LYS A 28 -10.367 -19.643 5.299 1.00 70.43 H new ATOM 0 HE2 LYS A 28 -11.825 -21.317 4.269 1.00 15.32 H new ATOM 0 HE3 LYS A 28 -11.495 -20.060 3.093 1.00 15.32 H new ATOM 0 HZ1 LYS A 28 -11.037 -22.766 2.817 1.00 21.43 H new ATOM 0 HZ2 LYS A 28 -10.558 -21.532 1.754 1.00 21.43 H new ATOM 0 HZ3 LYS A 28 -9.496 -22.070 2.965 1.00 21.43 H new ATOM 405 N LYS A 29 -7.199 -18.426 1.591 1.00 54.34 N ATOM 406 CA LYS A 29 -6.961 -18.556 0.163 1.00 13.31 C ATOM 407 C LYS A 29 -5.819 -17.624 -0.246 1.00 23.01 C ATOM 408 O LYS A 29 -4.921 -18.025 -0.985 1.00 4.51 O ATOM 409 CB LYS A 29 -8.255 -18.322 -0.619 1.00 72.34 C ATOM 410 CG LYS A 29 -9.198 -19.520 -0.489 1.00 73.11 C ATOM 411 CD LYS A 29 -8.681 -20.715 -1.293 1.00 12.03 C ATOM 412 CE LYS A 29 -9.722 -21.835 -1.341 1.00 54.01 C ATOM 413 NZ LYS A 29 -10.805 -21.496 -2.292 1.00 3.41 N ATOM 0 H LYS A 29 -8.155 -18.175 1.843 1.00 54.34 H new ATOM 0 HA LYS A 29 -6.647 -19.571 -0.080 1.00 13.31 H new ATOM 0 HB2 LYS A 29 -8.750 -17.423 -0.250 1.00 72.34 H new ATOM 0 HB3 LYS A 29 -8.023 -18.150 -1.670 1.00 72.34 H new ATOM 0 HG2 LYS A 29 -9.296 -19.798 0.560 1.00 73.11 H new ATOM 0 HG3 LYS A 29 -10.193 -19.244 -0.840 1.00 73.11 H new ATOM 0 HD2 LYS A 29 -8.436 -20.397 -2.307 1.00 12.03 H new ATOM 0 HD3 LYS A 29 -7.760 -21.088 -0.845 1.00 12.03 H new ATOM 0 HE2 LYS A 29 -9.246 -22.769 -1.640 1.00 54.01 H new ATOM 0 HE3 LYS A 29 -10.140 -21.994 -0.347 1.00 54.01 H new ATOM 0 HZ1 LYS A 29 -11.409 -22.329 -2.441 1.00 3.41 H new ATOM 0 HZ2 LYS A 29 -11.377 -20.718 -1.904 1.00 3.41 H new ATOM 0 HZ3 LYS A 29 -10.391 -21.202 -3.200 1.00 3.41 H new ATOM 426 N PHE A 30 -5.890 -16.399 0.253 1.00 42.55 N ATOM 427 CA PHE A 30 -4.873 -15.407 -0.052 1.00 5.42 C ATOM 428 C PHE A 30 -3.474 -15.941 0.262 1.00 22.52 C ATOM 429 O PHE A 30 -2.649 -16.097 -0.637 1.00 22.43 O ATOM 430 CB PHE A 30 -5.152 -14.192 0.836 1.00 73.22 C ATOM 431 CG PHE A 30 -4.706 -12.861 0.228 1.00 63.01 C ATOM 432 CD1 PHE A 30 -5.631 -11.926 -0.117 1.00 35.30 C ATOM 433 CD2 PHE A 30 -3.383 -12.613 0.032 1.00 0.43 C ATOM 434 CE1 PHE A 30 -5.217 -10.691 -0.681 1.00 41.02 C ATOM 435 CE2 PHE A 30 -2.968 -11.377 -0.532 1.00 74.20 C ATOM 436 CZ PHE A 30 -3.894 -10.442 -0.877 1.00 32.41 C ATOM 0 H PHE A 30 -6.636 -16.071 0.866 1.00 42.55 H new ATOM 0 HA PHE A 30 -4.907 -15.154 -1.112 1.00 5.42 H new ATOM 0 HB2 PHE A 30 -6.221 -14.145 1.044 1.00 73.22 H new ATOM 0 HB3 PHE A 30 -4.647 -14.330 1.792 1.00 73.22 H new ATOM 0 HD1 PHE A 30 -6.681 -12.123 0.038 1.00 35.30 H new ATOM 0 HD2 PHE A 30 -2.648 -13.356 0.305 1.00 0.43 H new ATOM 0 HE1 PHE A 30 -5.952 -9.949 -0.955 1.00 41.02 H new ATOM 0 HE2 PHE A 30 -1.918 -11.180 -0.687 1.00 74.20 H new ATOM 0 HZ PHE A 30 -3.579 -9.502 -1.306 1.00 32.41 H new ATOM 446 N PHE A 31 -3.250 -16.208 1.541 1.00 52.24 N ATOM 447 CA PHE A 31 -1.966 -16.722 1.984 1.00 4.03 C ATOM 448 C PHE A 31 -1.629 -18.039 1.281 1.00 14.42 C ATOM 449 O PHE A 31 -0.459 -18.360 1.084 1.00 24.14 O ATOM 450 CB PHE A 31 -2.081 -16.976 3.489 1.00 40.24 C ATOM 451 CG PHE A 31 -2.282 -15.707 4.320 1.00 33.31 C ATOM 452 CD1 PHE A 31 -1.238 -14.864 4.538 1.00 43.12 C ATOM 453 CD2 PHE A 31 -3.506 -15.423 4.842 1.00 62.15 C ATOM 454 CE1 PHE A 31 -1.425 -13.687 5.309 1.00 4.35 C ATOM 455 CE2 PHE A 31 -3.693 -14.246 5.613 1.00 4.23 C ATOM 456 CZ PHE A 31 -2.648 -13.402 5.831 1.00 71.50 C ATOM 0 H PHE A 31 -3.937 -16.078 2.284 1.00 52.24 H new ATOM 0 HA PHE A 31 -1.179 -16.005 1.751 1.00 4.03 H new ATOM 0 HB2 PHE A 31 -2.916 -17.653 3.670 1.00 40.24 H new ATOM 0 HB3 PHE A 31 -1.179 -17.483 3.832 1.00 40.24 H new ATOM 0 HD1 PHE A 31 -0.266 -15.090 4.124 1.00 43.12 H new ATOM 0 HD2 PHE A 31 -4.335 -16.093 4.670 1.00 62.15 H new ATOM 0 HE1 PHE A 31 -0.595 -13.017 5.481 1.00 4.35 H new ATOM 0 HE2 PHE A 31 -4.665 -14.020 6.027 1.00 4.23 H new ATOM 0 HZ PHE A 31 -2.790 -12.507 6.418 1.00 71.50 H new ATOM 466 N LYS A 32 -2.678 -18.765 0.922 1.00 64.01 N ATOM 467 CA LYS A 32 -2.508 -20.040 0.245 1.00 53.50 C ATOM 468 C LYS A 32 -2.232 -19.791 -1.239 1.00 71.02 C ATOM 469 O LYS A 32 -1.716 -20.666 -1.933 1.00 41.32 O ATOM 470 CB LYS A 32 -3.713 -20.947 0.503 1.00 64.32 C ATOM 471 CG LYS A 32 -3.350 -22.417 0.278 1.00 42.40 C ATOM 472 CD LYS A 32 -4.600 -23.254 0.002 1.00 72.03 C ATOM 473 CE LYS A 32 -5.317 -23.615 1.304 1.00 31.02 C ATOM 474 NZ LYS A 32 -6.470 -24.502 1.032 1.00 30.45 N ATOM 0 H LYS A 32 -3.648 -18.495 1.087 1.00 64.01 H new ATOM 0 HA LYS A 32 -1.645 -20.573 0.645 1.00 53.50 H new ATOM 0 HB2 LYS A 32 -4.065 -20.808 1.525 1.00 64.32 H new ATOM 0 HB3 LYS A 32 -4.533 -20.666 -0.158 1.00 64.32 H new ATOM 0 HG2 LYS A 32 -2.659 -22.500 -0.561 1.00 42.40 H new ATOM 0 HG3 LYS A 32 -2.834 -22.806 1.156 1.00 42.40 H new ATOM 0 HD2 LYS A 32 -5.277 -22.700 -0.648 1.00 72.03 H new ATOM 0 HD3 LYS A 32 -4.322 -24.165 -0.529 1.00 72.03 H new ATOM 0 HE2 LYS A 32 -4.623 -24.109 1.983 1.00 31.02 H new ATOM 0 HE3 LYS A 32 -5.658 -22.707 1.802 1.00 31.02 H new ATOM 0 HZ1 LYS A 32 -6.946 -24.737 1.926 1.00 30.45 H new ATOM 0 HZ2 LYS A 32 -7.140 -24.017 0.401 1.00 30.45 H new ATOM 0 HZ3 LYS A 32 -6.136 -25.376 0.577 1.00 30.45 H new ATOM 487 N ALA A 33 -2.588 -18.594 -1.682 1.00 70.23 N ATOM 488 CA ALA A 33 -2.385 -18.220 -3.071 1.00 40.44 C ATOM 489 C ALA A 33 -0.938 -17.761 -3.265 1.00 53.21 C ATOM 490 O ALA A 33 -0.210 -18.321 -4.083 1.00 22.14 O ATOM 491 CB ALA A 33 -3.396 -17.140 -3.462 1.00 73.03 C ATOM 0 H ALA A 33 -3.016 -17.871 -1.104 1.00 70.23 H new ATOM 0 HA ALA A 33 -2.551 -19.075 -3.727 1.00 40.44 H new ATOM 0 HB1 ALA A 33 -3.244 -16.859 -4.504 1.00 73.03 H new ATOM 0 HB2 ALA A 33 -4.408 -17.525 -3.334 1.00 73.03 H new ATOM 0 HB3 ALA A 33 -3.258 -16.265 -2.827 1.00 73.03 H new ATOM 497 N CYS A 34 -0.565 -16.746 -2.499 1.00 54.14 N ATOM 498 CA CYS A 34 0.781 -16.205 -2.576 1.00 62.45 C ATOM 499 C CYS A 34 1.759 -17.281 -2.098 1.00 54.12 C ATOM 500 O CYS A 34 2.920 -17.293 -2.502 1.00 43.21 O ATOM 501 CB CYS A 34 0.918 -14.911 -1.772 1.00 21.20 C ATOM 502 SG CYS A 34 2.402 -13.990 -2.317 1.00 5.14 S ATOM 0 H CYS A 34 -1.172 -16.284 -1.822 1.00 54.14 H new ATOM 0 HA CYS A 34 1.010 -15.939 -3.608 1.00 62.45 H new ATOM 0 HB2 CYS A 34 0.029 -14.295 -1.904 1.00 21.20 H new ATOM 0 HB3 CYS A 34 0.992 -15.140 -0.709 1.00 21.20 H new ATOM 0 HG CYS A 34 3.215 -14.800 -2.927 1.00 5.14 H new ATOM 508 N GLY A 35 1.252 -18.158 -1.244 1.00 71.24 N ATOM 509 CA GLY A 35 2.066 -19.235 -0.707 1.00 32.22 C ATOM 510 C GLY A 35 2.480 -18.942 0.737 1.00 50.44 C ATOM 511 O GLY A 35 3.088 -19.784 1.395 1.00 1.22 O ATOM 0 H GLY A 35 0.288 -18.145 -0.911 1.00 71.24 H new ATOM 0 HA2 GLY A 35 1.509 -20.171 -0.747 1.00 32.22 H new ATOM 0 HA3 GLY A 35 2.955 -19.367 -1.324 1.00 32.22 H new ATOM 515 N LEU A 36 2.134 -17.744 1.186 1.00 60.13 N ATOM 516 CA LEU A 36 2.462 -17.329 2.539 1.00 42.20 C ATOM 517 C LEU A 36 2.125 -18.461 3.511 1.00 11.02 C ATOM 518 O LEU A 36 2.743 -18.581 4.568 1.00 34.11 O ATOM 519 CB LEU A 36 1.774 -16.004 2.875 1.00 70.33 C ATOM 520 CG LEU A 36 2.585 -14.737 2.594 1.00 35.23 C ATOM 521 CD1 LEU A 36 1.673 -13.511 2.508 1.00 23.34 C ATOM 522 CD2 LEU A 36 3.694 -14.555 3.632 1.00 31.21 C ATOM 0 H LEU A 36 1.630 -17.048 0.637 1.00 60.13 H new ATOM 0 HA LEU A 36 3.531 -17.138 2.630 1.00 42.20 H new ATOM 0 HB2 LEU A 36 0.843 -15.948 2.311 1.00 70.33 H new ATOM 0 HB3 LEU A 36 1.507 -16.014 3.932 1.00 70.33 H new ATOM 0 HG LEU A 36 3.068 -14.848 1.623 1.00 35.23 H new ATOM 0 HD11 LEU A 36 2.274 -12.624 2.308 1.00 23.34 H new ATOM 0 HD12 LEU A 36 0.951 -13.650 1.703 1.00 23.34 H new ATOM 0 HD13 LEU A 36 1.143 -13.385 3.452 1.00 23.34 H new ATOM 0 HD21 LEU A 36 4.255 -13.648 3.409 1.00 31.21 H new ATOM 0 HD22 LEU A 36 3.253 -14.474 4.625 1.00 31.21 H new ATOM 0 HD23 LEU A 36 4.365 -15.413 3.602 1.00 31.21 H new ATOM 534 N SER A 37 1.146 -19.263 3.119 1.00 14.41 N ATOM 535 CA SER A 37 0.719 -20.381 3.943 1.00 53.13 C ATOM 536 C SER A 37 1.841 -21.416 4.042 1.00 71.20 C ATOM 537 O SER A 37 2.112 -21.942 5.120 1.00 34.24 O ATOM 538 CB SER A 37 -0.550 -21.026 3.381 1.00 11.33 C ATOM 539 OG SER A 37 -0.254 -22.090 2.481 1.00 35.32 O ATOM 0 H SER A 37 0.636 -19.161 2.241 1.00 14.41 H new ATOM 0 HA SER A 37 0.492 -20.004 4.940 1.00 53.13 H new ATOM 0 HB2 SER A 37 -1.159 -21.405 4.202 1.00 11.33 H new ATOM 0 HB3 SER A 37 -1.143 -20.270 2.866 1.00 11.33 H new ATOM 0 HG SER A 37 -1.037 -22.673 2.394 1.00 35.32 H new ATOM 545 N GLY A 38 2.464 -21.678 2.902 1.00 12.42 N ATOM 546 CA GLY A 38 3.551 -22.641 2.847 1.00 14.50 C ATOM 547 C GLY A 38 4.905 -21.949 3.016 1.00 31.03 C ATOM 548 O GLY A 38 5.951 -22.582 2.879 1.00 54.05 O ATOM 0 H GLY A 38 2.237 -21.240 2.009 1.00 12.42 H new ATOM 0 HA2 GLY A 38 3.420 -23.388 3.630 1.00 14.50 H new ATOM 0 HA3 GLY A 38 3.525 -23.170 1.894 1.00 14.50 H new ATOM 552 N LYS A 39 4.842 -20.659 3.313 1.00 71.33 N ATOM 553 CA LYS A 39 6.050 -19.875 3.502 1.00 24.03 C ATOM 554 C LYS A 39 6.691 -20.248 4.841 1.00 72.43 C ATOM 555 O LYS A 39 6.185 -21.113 5.555 1.00 2.32 O ATOM 556 CB LYS A 39 5.748 -18.382 3.361 1.00 51.14 C ATOM 557 CG LYS A 39 5.688 -17.972 1.888 1.00 44.13 C ATOM 558 CD LYS A 39 6.995 -18.317 1.169 1.00 13.44 C ATOM 559 CE LYS A 39 7.286 -17.314 0.051 1.00 62.42 C ATOM 560 NZ LYS A 39 8.125 -17.937 -0.998 1.00 33.43 N ATOM 0 H LYS A 39 3.973 -20.138 3.427 1.00 71.33 H new ATOM 0 HA LYS A 39 6.778 -20.105 2.724 1.00 24.03 H new ATOM 0 HB2 LYS A 39 4.799 -18.152 3.845 1.00 51.14 H new ATOM 0 HB3 LYS A 39 6.516 -17.802 3.873 1.00 51.14 H new ATOM 0 HG2 LYS A 39 4.855 -18.478 1.400 1.00 44.13 H new ATOM 0 HG3 LYS A 39 5.499 -16.901 1.812 1.00 44.13 H new ATOM 0 HD2 LYS A 39 7.818 -18.319 1.884 1.00 13.44 H new ATOM 0 HD3 LYS A 39 6.931 -19.322 0.753 1.00 13.44 H new ATOM 0 HE2 LYS A 39 6.350 -16.963 -0.384 1.00 62.42 H new ATOM 0 HE3 LYS A 39 7.794 -16.441 0.461 1.00 62.42 H new ATOM 0 HZ1 LYS A 39 8.313 -17.243 -1.749 1.00 33.43 H new ATOM 0 HZ2 LYS A 39 9.025 -18.250 -0.582 1.00 33.43 H new ATOM 0 HZ3 LYS A 39 7.626 -18.756 -1.400 1.00 33.43 H new ATOM 573 N SER A 40 7.794 -19.578 5.140 1.00 70.41 N ATOM 574 CA SER A 40 8.509 -19.829 6.380 1.00 73.11 C ATOM 575 C SER A 40 8.111 -18.792 7.432 1.00 41.31 C ATOM 576 O SER A 40 7.990 -17.607 7.126 1.00 45.52 O ATOM 577 CB SER A 40 10.022 -19.806 6.157 1.00 22.14 C ATOM 578 OG SER A 40 10.449 -20.848 5.284 1.00 24.23 O ATOM 0 H SER A 40 8.210 -18.862 4.545 1.00 70.41 H new ATOM 0 HA SER A 40 8.237 -20.822 6.737 1.00 73.11 H new ATOM 0 HB2 SER A 40 10.312 -18.842 5.740 1.00 22.14 H new ATOM 0 HB3 SER A 40 10.531 -19.905 7.116 1.00 22.14 H new ATOM 0 HG SER A 40 11.421 -20.798 5.166 1.00 24.23 H new ATOM 584 N THR A 41 7.918 -19.275 8.650 1.00 23.52 N ATOM 585 CA THR A 41 7.537 -18.405 9.749 1.00 33.03 C ATOM 586 C THR A 41 8.520 -17.240 9.873 1.00 41.53 C ATOM 587 O THR A 41 8.203 -16.217 10.478 1.00 43.41 O ATOM 588 CB THR A 41 7.442 -19.257 11.016 1.00 24.25 C ATOM 589 OG1 THR A 41 6.278 -20.053 10.814 1.00 52.12 O ATOM 590 CG2 THR A 41 7.114 -18.426 12.258 1.00 1.22 C ATOM 0 H THR A 41 8.018 -20.259 8.900 1.00 23.52 H new ATOM 0 HA THR A 41 6.563 -17.949 9.572 1.00 33.03 H new ATOM 0 HB THR A 41 8.384 -19.783 11.170 1.00 24.25 H new ATOM 0 HG1 THR A 41 6.143 -20.637 11.589 1.00 52.12 H new ATOM 0 HG21 THR A 41 7.058 -19.079 13.129 1.00 1.22 H new ATOM 0 HG22 THR A 41 7.894 -17.680 12.413 1.00 1.22 H new ATOM 0 HG23 THR A 41 6.156 -17.925 12.118 1.00 1.22 H new ATOM 598 N ASP A 42 9.694 -17.433 9.289 1.00 33.11 N ATOM 599 CA ASP A 42 10.726 -16.411 9.326 1.00 14.30 C ATOM 600 C ASP A 42 10.230 -15.165 8.589 1.00 14.13 C ATOM 601 O ASP A 42 10.135 -14.088 9.177 1.00 70.41 O ATOM 602 CB ASP A 42 12.003 -16.892 8.634 1.00 14.14 C ATOM 603 CG ASP A 42 13.272 -16.128 9.016 1.00 11.40 C ATOM 604 OD1 ASP A 42 13.253 -14.899 9.180 1.00 55.30 O ATOM 605 OD2 ASP A 42 14.328 -16.856 9.147 1.00 64.32 O ATOM 0 H ASP A 42 9.953 -18.283 8.787 1.00 33.11 H new ATOM 0 HA ASP A 42 10.944 -16.189 10.371 1.00 14.30 H new ATOM 0 HB2 ASP A 42 12.149 -17.947 8.866 1.00 14.14 H new ATOM 0 HB3 ASP A 42 11.864 -16.819 7.555 1.00 14.14 H new ATOM 611 N GLU A 43 9.926 -15.353 7.313 1.00 1.43 N ATOM 612 CA GLU A 43 9.442 -14.257 6.490 1.00 23.32 C ATOM 613 C GLU A 43 8.120 -13.722 7.042 1.00 35.45 C ATOM 614 O GLU A 43 7.880 -12.516 7.029 1.00 12.03 O ATOM 615 CB GLU A 43 9.291 -14.693 5.031 1.00 21.14 C ATOM 616 CG GLU A 43 7.928 -15.345 4.792 1.00 33.24 C ATOM 617 CD GLU A 43 7.771 -15.769 3.331 1.00 43.14 C ATOM 618 OE1 GLU A 43 8.628 -16.491 2.799 1.00 31.24 O ATOM 619 OE2 GLU A 43 6.714 -15.321 2.743 1.00 35.24 O ATOM 0 H GLU A 43 10.005 -16.247 6.829 1.00 1.43 H new ATOM 0 HA GLU A 43 10.177 -13.453 6.521 1.00 23.32 H new ATOM 0 HB2 GLU A 43 9.405 -13.829 4.376 1.00 21.14 H new ATOM 0 HB3 GLU A 43 10.084 -15.395 4.774 1.00 21.14 H new ATOM 0 HG2 GLU A 43 7.818 -16.214 5.440 1.00 33.24 H new ATOM 0 HG3 GLU A 43 7.135 -14.646 5.059 1.00 33.24 H new ATOM 627 N VAL A 44 7.295 -14.646 7.515 1.00 65.01 N ATOM 628 CA VAL A 44 6.003 -14.282 8.071 1.00 62.33 C ATOM 629 C VAL A 44 6.163 -13.042 8.952 1.00 53.32 C ATOM 630 O VAL A 44 5.403 -12.083 8.824 1.00 73.14 O ATOM 631 CB VAL A 44 5.401 -15.474 8.819 1.00 43.40 C ATOM 632 CG1 VAL A 44 4.141 -15.062 9.582 1.00 53.32 C ATOM 633 CG2 VAL A 44 5.110 -16.631 7.862 1.00 32.42 C ATOM 0 H VAL A 44 7.497 -15.646 7.524 1.00 65.01 H new ATOM 0 HA VAL A 44 5.303 -14.027 7.276 1.00 62.33 H new ATOM 0 HB VAL A 44 6.135 -15.819 9.547 1.00 43.40 H new ATOM 0 HG11 VAL A 44 3.733 -15.927 10.105 1.00 53.32 H new ATOM 0 HG12 VAL A 44 4.391 -14.286 10.305 1.00 53.32 H new ATOM 0 HG13 VAL A 44 3.400 -14.679 8.881 1.00 53.32 H new ATOM 0 HG21 VAL A 44 4.683 -17.465 8.419 1.00 32.42 H new ATOM 0 HG22 VAL A 44 4.403 -16.304 7.100 1.00 32.42 H new ATOM 0 HG23 VAL A 44 6.036 -16.950 7.384 1.00 32.42 H new ATOM 643 N LYS A 45 7.156 -13.100 9.827 1.00 71.33 N ATOM 644 CA LYS A 45 7.425 -11.993 10.729 1.00 72.32 C ATOM 645 C LYS A 45 7.693 -10.728 9.911 1.00 32.31 C ATOM 646 O LYS A 45 7.153 -9.665 10.211 1.00 14.22 O ATOM 647 CB LYS A 45 8.556 -12.352 11.695 1.00 73.11 C ATOM 648 CG LYS A 45 8.208 -13.602 12.506 1.00 13.35 C ATOM 649 CD LYS A 45 9.473 -14.287 13.028 1.00 54.15 C ATOM 650 CE LYS A 45 9.139 -15.628 13.684 1.00 12.23 C ATOM 651 NZ LYS A 45 9.235 -16.726 12.697 1.00 33.43 N ATOM 0 H LYS A 45 7.784 -13.897 9.931 1.00 71.33 H new ATOM 0 HA LYS A 45 6.555 -11.791 11.354 1.00 72.32 H new ATOM 0 HB2 LYS A 45 9.476 -12.521 11.136 1.00 73.11 H new ATOM 0 HB3 LYS A 45 8.742 -11.516 12.370 1.00 73.11 H new ATOM 0 HG2 LYS A 45 7.566 -13.329 13.344 1.00 13.35 H new ATOM 0 HG3 LYS A 45 7.644 -14.297 11.885 1.00 13.35 H new ATOM 0 HD2 LYS A 45 10.171 -14.444 12.206 1.00 54.15 H new ATOM 0 HD3 LYS A 45 9.970 -13.639 13.750 1.00 54.15 H new ATOM 0 HE2 LYS A 45 9.823 -15.815 14.512 1.00 12.23 H new ATOM 0 HE3 LYS A 45 8.133 -15.594 14.103 1.00 12.23 H new ATOM 0 HZ1 LYS A 45 9.072 -17.636 13.173 1.00 33.43 H new ATOM 0 HZ2 LYS A 45 8.519 -16.590 11.955 1.00 33.43 H new ATOM 0 HZ3 LYS A 45 10.182 -16.725 12.268 1.00 33.43 H new ATOM 664 N LYS A 46 8.527 -10.885 8.894 1.00 72.43 N ATOM 665 CA LYS A 46 8.873 -9.769 8.030 1.00 0.05 C ATOM 666 C LYS A 46 7.641 -9.352 7.224 1.00 64.40 C ATOM 667 O LYS A 46 7.572 -8.231 6.724 1.00 4.43 O ATOM 668 CB LYS A 46 10.086 -10.117 7.165 1.00 11.21 C ATOM 669 CG LYS A 46 11.078 -10.989 7.937 1.00 21.11 C ATOM 670 CD LYS A 46 12.509 -10.758 7.446 1.00 33.11 C ATOM 671 CE LYS A 46 12.565 -10.722 5.918 1.00 74.25 C ATOM 672 NZ LYS A 46 12.036 -11.983 5.350 1.00 43.22 N ATOM 0 H LYS A 46 8.974 -11.769 8.649 1.00 72.43 H new ATOM 0 HA LYS A 46 9.172 -8.906 8.624 1.00 0.05 H new ATOM 0 HB2 LYS A 46 9.758 -10.641 6.267 1.00 11.21 H new ATOM 0 HB3 LYS A 46 10.579 -9.201 6.838 1.00 11.21 H new ATOM 0 HG2 LYS A 46 11.014 -10.763 9.001 1.00 21.11 H new ATOM 0 HG3 LYS A 46 10.814 -12.040 7.817 1.00 21.11 H new ATOM 0 HD2 LYS A 46 12.889 -9.819 7.850 1.00 33.11 H new ATOM 0 HD3 LYS A 46 13.158 -11.551 7.819 1.00 33.11 H new ATOM 0 HE2 LYS A 46 11.985 -9.877 5.547 1.00 74.25 H new ATOM 0 HE3 LYS A 46 13.593 -10.571 5.589 1.00 74.25 H new ATOM 0 HZ1 LYS A 46 12.567 -12.226 4.489 1.00 43.22 H new ATOM 0 HZ2 LYS A 46 12.139 -12.748 6.047 1.00 43.22 H new ATOM 0 HZ3 LYS A 46 11.030 -11.862 5.114 1.00 43.22 H new ATOM 685 N ALA A 47 6.699 -10.279 7.122 1.00 3.51 N ATOM 686 CA ALA A 47 5.474 -10.022 6.385 1.00 51.51 C ATOM 687 C ALA A 47 4.489 -9.275 7.286 1.00 14.23 C ATOM 688 O ALA A 47 3.708 -8.452 6.811 1.00 53.03 O ATOM 689 CB ALA A 47 4.903 -11.343 5.866 1.00 23.03 C ATOM 0 H ALA A 47 6.760 -11.209 7.538 1.00 3.51 H new ATOM 0 HA ALA A 47 5.673 -9.391 5.519 1.00 51.51 H new ATOM 0 HB1 ALA A 47 3.984 -11.150 5.313 1.00 23.03 H new ATOM 0 HB2 ALA A 47 5.629 -11.820 5.208 1.00 23.03 H new ATOM 0 HB3 ALA A 47 4.689 -12.002 6.707 1.00 23.03 H new ATOM 695 N PHE A 48 4.557 -9.589 8.572 1.00 42.44 N ATOM 696 CA PHE A 48 3.681 -8.958 9.544 1.00 51.31 C ATOM 697 C PHE A 48 3.934 -7.450 9.613 1.00 74.21 C ATOM 698 O PHE A 48 3.068 -6.691 10.047 1.00 63.32 O ATOM 699 CB PHE A 48 4.001 -9.579 10.905 1.00 64.34 C ATOM 700 CG PHE A 48 3.395 -8.827 12.091 1.00 42.31 C ATOM 701 CD1 PHE A 48 2.139 -9.128 12.517 1.00 2.21 C ATOM 702 CD2 PHE A 48 4.112 -7.857 12.719 1.00 2.20 C ATOM 703 CE1 PHE A 48 1.577 -8.429 13.618 1.00 74.31 C ATOM 704 CE2 PHE A 48 3.550 -7.158 13.820 1.00 74.21 C ATOM 705 CZ PHE A 48 2.294 -7.459 14.246 1.00 34.31 C ATOM 0 H PHE A 48 5.206 -10.272 8.963 1.00 42.44 H new ATOM 0 HA PHE A 48 2.640 -9.112 9.261 1.00 51.31 H new ATOM 0 HB2 PHE A 48 3.640 -10.607 10.917 1.00 64.34 H new ATOM 0 HB3 PHE A 48 5.083 -9.620 11.029 1.00 64.34 H new ATOM 0 HD1 PHE A 48 1.569 -9.898 12.018 1.00 2.21 H new ATOM 0 HD2 PHE A 48 5.109 -7.618 12.380 1.00 2.20 H new ATOM 0 HE1 PHE A 48 0.580 -8.668 13.957 1.00 74.31 H new ATOM 0 HE2 PHE A 48 4.120 -6.388 14.319 1.00 74.21 H new ATOM 0 HZ PHE A 48 1.866 -6.928 15.083 1.00 34.31 H new ATOM 715 N ALA A 49 5.123 -7.062 9.178 1.00 4.54 N ATOM 716 CA ALA A 49 5.501 -5.658 9.185 1.00 31.44 C ATOM 717 C ALA A 49 4.981 -4.988 7.912 1.00 71.40 C ATOM 718 O ALA A 49 4.883 -3.764 7.846 1.00 64.02 O ATOM 719 CB ALA A 49 7.020 -5.539 9.329 1.00 55.14 C ATOM 0 H ALA A 49 5.838 -7.695 8.818 1.00 4.54 H new ATOM 0 HA ALA A 49 5.052 -5.144 10.035 1.00 31.44 H new ATOM 0 HB1 ALA A 49 7.304 -4.487 9.334 1.00 55.14 H new ATOM 0 HB2 ALA A 49 7.334 -6.004 10.263 1.00 55.14 H new ATOM 0 HB3 ALA A 49 7.505 -6.041 8.492 1.00 55.14 H new ATOM 725 N ILE A 50 4.660 -5.821 6.932 1.00 5.22 N ATOM 726 CA ILE A 50 4.153 -5.324 5.664 1.00 32.35 C ATOM 727 C ILE A 50 2.799 -4.648 5.892 1.00 62.33 C ATOM 728 O ILE A 50 2.574 -3.532 5.428 1.00 15.52 O ATOM 729 CB ILE A 50 4.113 -6.448 4.627 1.00 53.35 C ATOM 730 CG1 ILE A 50 5.497 -7.074 4.443 1.00 75.13 C ATOM 731 CG2 ILE A 50 3.528 -5.951 3.303 1.00 41.41 C ATOM 732 CD1 ILE A 50 6.386 -6.191 3.565 1.00 10.25 C ATOM 0 H ILE A 50 4.741 -6.836 6.991 1.00 5.22 H new ATOM 0 HA ILE A 50 4.822 -4.567 5.255 1.00 32.35 H new ATOM 0 HB ILE A 50 3.452 -7.232 4.998 1.00 53.35 H new ATOM 0 HG12 ILE A 50 5.968 -7.217 5.416 1.00 75.13 H new ATOM 0 HG13 ILE A 50 5.397 -8.060 3.990 1.00 75.13 H new ATOM 0 HG21 ILE A 50 3.511 -6.769 2.583 1.00 41.41 H new ATOM 0 HG22 ILE A 50 2.513 -5.590 3.467 1.00 41.41 H new ATOM 0 HG23 ILE A 50 4.144 -5.139 2.915 1.00 41.41 H new ATOM 0 HD11 ILE A 50 7.364 -6.659 3.450 1.00 10.25 H new ATOM 0 HD12 ILE A 50 5.924 -6.070 2.585 1.00 10.25 H new ATOM 0 HD13 ILE A 50 6.504 -5.214 4.033 1.00 10.25 H new ATOM 744 N ILE A 51 1.934 -5.354 6.605 1.00 53.21 N ATOM 745 CA ILE A 51 0.608 -4.836 6.899 1.00 4.22 C ATOM 746 C ILE A 51 0.710 -3.788 8.010 1.00 70.33 C ATOM 747 O ILE A 51 0.464 -2.606 7.777 1.00 45.32 O ATOM 748 CB ILE A 51 -0.355 -5.980 7.220 1.00 71.34 C ATOM 749 CG1 ILE A 51 -0.047 -7.212 6.366 1.00 43.02 C ATOM 750 CG2 ILE A 51 -1.810 -5.530 7.072 1.00 41.13 C ATOM 751 CD1 ILE A 51 0.766 -8.238 7.157 1.00 22.34 C ATOM 0 H ILE A 51 2.125 -6.280 6.988 1.00 53.21 H new ATOM 0 HA ILE A 51 0.192 -4.336 6.025 1.00 4.22 H new ATOM 0 HB ILE A 51 -0.210 -6.266 8.262 1.00 71.34 H new ATOM 0 HG12 ILE A 51 -0.978 -7.665 6.026 1.00 43.02 H new ATOM 0 HG13 ILE A 51 0.506 -6.913 5.476 1.00 43.02 H new ATOM 0 HG21 ILE A 51 -2.474 -6.362 7.306 1.00 41.13 H new ATOM 0 HG22 ILE A 51 -2.007 -4.705 7.757 1.00 41.13 H new ATOM 0 HG23 ILE A 51 -1.987 -5.202 6.048 1.00 41.13 H new ATOM 0 HD11 ILE A 51 0.971 -9.103 6.527 1.00 22.34 H new ATOM 0 HD12 ILE A 51 1.707 -7.789 7.475 1.00 22.34 H new ATOM 0 HD13 ILE A 51 0.200 -8.553 8.033 1.00 22.34 H new ATOM 763 N ASP A 52 1.072 -4.260 9.193 1.00 22.54 N ATOM 764 CA ASP A 52 1.209 -3.379 10.341 1.00 63.34 C ATOM 765 C ASP A 52 1.858 -2.067 9.896 1.00 63.13 C ATOM 766 O ASP A 52 3.068 -2.010 9.681 1.00 21.25 O ATOM 767 CB ASP A 52 2.100 -4.007 11.414 1.00 24.31 C ATOM 768 CG ASP A 52 1.893 -3.460 12.828 1.00 62.22 C ATOM 769 OD1 ASP A 52 1.573 -2.277 13.014 1.00 1.21 O ATOM 770 OD2 ASP A 52 2.076 -4.316 13.776 1.00 42.13 O ATOM 0 H ASP A 52 1.275 -5.242 9.382 1.00 22.54 H new ATOM 0 HA ASP A 52 0.215 -3.206 10.754 1.00 63.34 H new ATOM 0 HB2 ASP A 52 1.924 -5.083 11.427 1.00 24.31 H new ATOM 0 HB3 ASP A 52 3.142 -3.858 11.132 1.00 24.31 H new ATOM 776 N GLN A 53 1.025 -1.045 9.770 1.00 10.20 N ATOM 777 CA GLN A 53 1.502 0.263 9.354 1.00 4.25 C ATOM 778 C GLN A 53 1.803 1.132 10.578 1.00 74.13 C ATOM 779 O GLN A 53 2.850 1.726 10.740 1.00 23.24 O ATOM 780 CB GLN A 53 0.493 0.947 8.431 1.00 51.34 C ATOM 781 CG GLN A 53 -0.048 -0.033 7.388 1.00 34.11 C ATOM 782 CD GLN A 53 -0.811 0.705 6.286 1.00 60.33 C ATOM 783 OE1 GLN A 53 -0.271 1.529 5.566 1.00 22.32 O ATOM 784 NE2 GLN A 53 -2.093 0.364 6.194 1.00 73.23 N ATOM 0 H GLN A 53 0.022 -1.096 9.949 1.00 10.20 H new ATOM 0 HA GLN A 53 2.426 0.129 8.791 1.00 4.25 H new ATOM 0 HB2 GLN A 53 -0.331 1.348 9.021 1.00 51.34 H new ATOM 0 HB3 GLN A 53 0.967 1.791 7.931 1.00 51.34 H new ATOM 0 HG2 GLN A 53 0.777 -0.596 6.950 1.00 34.11 H new ATOM 0 HG3 GLN A 53 -0.707 -0.756 7.870 1.00 34.11 H new ATOM 0 HE21 GLN A 53 -2.482 -0.333 6.829 1.00 73.23 H new ATOM 0 HE22 GLN A 53 -2.687 0.800 5.489 1.00 73.23 H new ATOM 793 N ASP A 54 0.841 1.197 11.457 1.00 42.33 N ATOM 794 CA ASP A 54 1.014 2.007 12.696 1.00 75.03 C ATOM 795 C ASP A 54 2.166 1.443 13.534 1.00 51.35 C ATOM 796 O ASP A 54 2.786 2.221 14.257 1.00 14.23 O ATOM 797 CB ASP A 54 -0.312 1.870 13.445 1.00 12.43 C ATOM 798 CG ASP A 54 -0.736 0.401 13.471 1.00 11.05 C ATOM 799 OD1 ASP A 54 0.046 -0.429 13.036 1.00 35.12 O ATOM 800 OD2 ASP A 54 -1.836 0.129 13.925 1.00 61.24 O ATOM 0 H ASP A 54 -0.058 0.724 11.371 1.00 42.33 H new ATOM 0 HA ASP A 54 1.255 3.048 12.482 1.00 75.03 H new ATOM 0 HB2 ASP A 54 -0.207 2.247 14.462 1.00 12.43 H new ATOM 0 HB3 ASP A 54 -1.080 2.472 12.959 1.00 12.43 H new ATOM 805 N LYS A 55 2.423 0.148 13.431 1.00 71.42 N ATOM 806 CA LYS A 55 3.495 -0.466 14.196 1.00 44.44 C ATOM 807 C LYS A 55 3.116 -0.478 15.678 1.00 64.01 C ATOM 808 O LYS A 55 3.988 -0.530 16.545 1.00 53.54 O ATOM 809 CB LYS A 55 4.826 0.232 13.907 1.00 41.21 C ATOM 810 CG LYS A 55 5.118 0.257 12.405 1.00 32.21 C ATOM 811 CD LYS A 55 4.714 -1.064 11.746 1.00 11.25 C ATOM 812 CE LYS A 55 5.473 -2.240 12.365 1.00 40.53 C ATOM 813 NZ LYS A 55 6.866 -2.276 11.866 1.00 22.45 N ATOM 0 H LYS A 55 1.907 -0.494 12.829 1.00 71.42 H new ATOM 0 HA LYS A 55 3.633 -1.504 13.894 1.00 44.44 H new ATOM 0 HB2 LYS A 55 4.797 1.251 14.292 1.00 41.21 H new ATOM 0 HB3 LYS A 55 5.632 -0.284 14.429 1.00 41.21 H new ATOM 0 HG2 LYS A 55 4.577 1.080 11.939 1.00 32.21 H new ATOM 0 HG3 LYS A 55 6.180 0.440 12.240 1.00 32.21 H new ATOM 0 HD2 LYS A 55 3.641 -1.218 11.860 1.00 11.25 H new ATOM 0 HD3 LYS A 55 4.917 -1.018 10.676 1.00 11.25 H new ATOM 0 HE2 LYS A 55 5.471 -2.151 13.451 1.00 40.53 H new ATOM 0 HE3 LYS A 55 4.969 -3.175 12.121 1.00 40.53 H new ATOM 0 HZ1 LYS A 55 7.368 -3.079 12.295 1.00 22.45 H new ATOM 0 HZ2 LYS A 55 6.862 -2.383 10.832 1.00 22.45 H new ATOM 0 HZ3 LYS A 55 7.349 -1.391 12.120 1.00 22.45 H new ATOM 826 N SER A 56 1.815 -0.430 15.924 1.00 64.05 N ATOM 827 CA SER A 56 1.310 -0.435 17.286 1.00 63.10 C ATOM 828 C SER A 56 1.841 -1.658 18.036 1.00 23.33 C ATOM 829 O SER A 56 1.825 -1.692 19.266 1.00 62.12 O ATOM 830 CB SER A 56 -0.219 -0.423 17.306 1.00 14.23 C ATOM 831 OG SER A 56 -0.756 -1.633 17.833 1.00 31.30 O ATOM 0 H SER A 56 1.095 -0.387 15.203 1.00 64.05 H new ATOM 0 HA SER A 56 1.660 0.469 17.784 1.00 63.10 H new ATOM 0 HB2 SER A 56 -0.567 0.419 17.905 1.00 14.23 H new ATOM 0 HB3 SER A 56 -0.594 -0.271 16.294 1.00 14.23 H new ATOM 0 HG SER A 56 -1.733 -1.569 17.869 1.00 31.30 H new ATOM 837 N GLY A 57 2.299 -2.633 17.265 1.00 64.03 N ATOM 838 CA GLY A 57 2.834 -3.855 17.841 1.00 43.01 C ATOM 839 C GLY A 57 1.801 -4.982 17.793 1.00 73.11 C ATOM 840 O GLY A 57 2.158 -6.159 17.817 1.00 5.32 O ATOM 0 H GLY A 57 2.311 -2.602 16.246 1.00 64.03 H new ATOM 0 HA2 GLY A 57 3.730 -4.155 17.298 1.00 43.01 H new ATOM 0 HA3 GLY A 57 3.132 -3.674 18.874 1.00 43.01 H new ATOM 844 N PHE A 58 0.539 -4.583 17.726 1.00 43.44 N ATOM 845 CA PHE A 58 -0.549 -5.544 17.674 1.00 63.41 C ATOM 846 C PHE A 58 -1.570 -5.160 16.602 1.00 51.33 C ATOM 847 O PHE A 58 -2.152 -4.077 16.653 1.00 31.35 O ATOM 848 CB PHE A 58 -1.231 -5.522 19.043 1.00 11.40 C ATOM 849 CG PHE A 58 -0.315 -5.920 20.202 1.00 62.23 C ATOM 850 CD1 PHE A 58 0.220 -4.963 21.006 1.00 11.22 C ATOM 851 CD2 PHE A 58 -0.035 -7.232 20.427 1.00 0.22 C ATOM 852 CE1 PHE A 58 1.070 -5.333 22.081 1.00 3.34 C ATOM 853 CE2 PHE A 58 0.816 -7.602 21.502 1.00 15.25 C ATOM 854 CZ PHE A 58 1.350 -6.644 22.307 1.00 62.31 C ATOM 0 H PHE A 58 0.246 -3.606 17.707 1.00 43.44 H new ATOM 0 HA PHE A 58 -0.160 -6.532 17.429 1.00 63.41 H new ATOM 0 HB2 PHE A 58 -1.619 -4.520 19.228 1.00 11.40 H new ATOM 0 HB3 PHE A 58 -2.087 -6.197 19.022 1.00 11.40 H new ATOM 0 HD1 PHE A 58 -0.002 -3.921 20.827 1.00 11.22 H new ATOM 0 HD2 PHE A 58 -0.460 -7.992 19.788 1.00 0.22 H new ATOM 0 HE1 PHE A 58 1.495 -4.573 22.720 1.00 3.34 H new ATOM 0 HE2 PHE A 58 1.039 -8.644 21.680 1.00 15.25 H new ATOM 0 HZ PHE A 58 1.996 -6.925 23.125 1.00 62.31 H new ATOM 864 N ILE A 59 -1.757 -6.068 15.655 1.00 42.51 N ATOM 865 CA ILE A 59 -2.698 -5.837 14.572 1.00 42.10 C ATOM 866 C ILE A 59 -4.125 -5.889 15.122 1.00 25.22 C ATOM 867 O ILE A 59 -4.727 -6.959 15.196 1.00 65.33 O ATOM 868 CB ILE A 59 -2.445 -6.817 13.425 1.00 41.14 C ATOM 869 CG1 ILE A 59 -1.039 -6.635 12.848 1.00 33.32 C ATOM 870 CG2 ILE A 59 -3.526 -6.693 12.349 1.00 40.50 C ATOM 871 CD1 ILE A 59 -0.786 -7.616 11.701 1.00 52.50 C ATOM 0 H ILE A 59 -1.273 -6.965 15.615 1.00 42.51 H new ATOM 0 HA ILE A 59 -2.555 -4.843 14.149 1.00 42.10 H new ATOM 0 HB ILE A 59 -2.501 -7.830 13.823 1.00 41.14 H new ATOM 0 HG12 ILE A 59 -0.918 -5.613 12.490 1.00 33.32 H new ATOM 0 HG13 ILE A 59 -0.298 -6.788 13.632 1.00 33.32 H new ATOM 0 HG21 ILE A 59 -3.322 -7.401 11.545 1.00 40.50 H new ATOM 0 HG22 ILE A 59 -4.501 -6.911 12.786 1.00 40.50 H new ATOM 0 HG23 ILE A 59 -3.526 -5.679 11.948 1.00 40.50 H new ATOM 0 HD11 ILE A 59 0.220 -7.466 11.309 1.00 52.50 H new ATOM 0 HD12 ILE A 59 -0.884 -8.638 12.068 1.00 52.50 H new ATOM 0 HD13 ILE A 59 -1.514 -7.444 10.908 1.00 52.50 H new ATOM 883 N GLU A 60 -4.624 -4.720 15.495 1.00 52.04 N ATOM 884 CA GLU A 60 -5.969 -4.619 16.036 1.00 42.11 C ATOM 885 C GLU A 60 -7.000 -4.998 14.971 1.00 63.32 C ATOM 886 O GLU A 60 -6.699 -4.983 13.778 1.00 34.31 O ATOM 887 CB GLU A 60 -6.236 -3.215 16.582 1.00 50.11 C ATOM 888 CG GLU A 60 -5.252 -2.865 17.700 1.00 31.11 C ATOM 889 CD GLU A 60 -4.887 -1.380 17.664 1.00 1.32 C ATOM 890 OE1 GLU A 60 -5.767 -0.530 17.463 1.00 11.44 O ATOM 891 OE2 GLU A 60 -3.638 -1.121 17.855 1.00 3.52 O ATOM 0 H GLU A 60 -4.121 -3.835 15.433 1.00 52.04 H new ATOM 0 HA GLU A 60 -6.059 -5.320 16.866 1.00 42.11 H new ATOM 0 HB2 GLU A 60 -6.151 -2.486 15.777 1.00 50.11 H new ATOM 0 HB3 GLU A 60 -7.257 -3.156 16.959 1.00 50.11 H new ATOM 0 HG2 GLU A 60 -5.691 -3.112 18.666 1.00 31.11 H new ATOM 0 HG3 GLU A 60 -4.350 -3.468 17.597 1.00 31.11 H new ATOM 899 N GLU A 61 -8.194 -5.330 15.440 1.00 44.40 N ATOM 900 CA GLU A 61 -9.271 -5.712 14.543 1.00 64.24 C ATOM 901 C GLU A 61 -9.345 -4.745 13.360 1.00 40.32 C ATOM 902 O GLU A 61 -9.695 -5.142 12.250 1.00 53.25 O ATOM 903 CB GLU A 61 -10.607 -5.774 15.285 1.00 21.30 C ATOM 904 CG GLU A 61 -11.753 -6.097 14.325 1.00 72.44 C ATOM 905 CD GLU A 61 -13.100 -5.680 14.918 1.00 11.14 C ATOM 906 OE1 GLU A 61 -13.546 -4.542 14.706 1.00 64.54 O ATOM 907 OE2 GLU A 61 -13.690 -6.586 15.623 1.00 43.24 O ATOM 0 H GLU A 61 -8.439 -5.342 16.430 1.00 44.40 H new ATOM 0 HA GLU A 61 -9.060 -6.710 14.159 1.00 64.24 H new ATOM 0 HB2 GLU A 61 -10.558 -6.532 16.067 1.00 21.30 H new ATOM 0 HB3 GLU A 61 -10.798 -4.821 15.777 1.00 21.30 H new ATOM 0 HG2 GLU A 61 -11.594 -5.582 13.377 1.00 72.44 H new ATOM 0 HG3 GLU A 61 -11.762 -7.166 14.110 1.00 72.44 H new ATOM 915 N GLU A 62 -9.010 -3.493 13.638 1.00 63.42 N ATOM 916 CA GLU A 62 -9.034 -2.466 12.611 1.00 71.15 C ATOM 917 C GLU A 62 -7.943 -2.729 11.571 1.00 62.01 C ATOM 918 O GLU A 62 -8.158 -2.531 10.376 1.00 31.11 O ATOM 919 CB GLU A 62 -8.882 -1.073 13.224 1.00 33.05 C ATOM 920 CG GLU A 62 -9.818 -0.897 14.422 1.00 52.41 C ATOM 921 CD GLU A 62 -10.069 0.585 14.708 1.00 2.42 C ATOM 922 OE1 GLU A 62 -9.182 1.274 15.236 1.00 73.54 O ATOM 923 OE2 GLU A 62 -11.233 1.018 14.361 1.00 14.42 O ATOM 0 H GLU A 62 -8.720 -3.167 14.560 1.00 63.42 H new ATOM 0 HA GLU A 62 -10.002 -2.503 12.111 1.00 71.15 H new ATOM 0 HB2 GLU A 62 -7.850 -0.921 13.539 1.00 33.05 H new ATOM 0 HB3 GLU A 62 -9.101 -0.315 12.472 1.00 33.05 H new ATOM 0 HG2 GLU A 62 -10.765 -1.399 14.225 1.00 52.41 H new ATOM 0 HG3 GLU A 62 -9.383 -1.372 15.301 1.00 52.41 H new ATOM 931 N GLU A 63 -6.795 -3.171 12.063 1.00 30.04 N ATOM 932 CA GLU A 63 -5.670 -3.463 11.192 1.00 64.11 C ATOM 933 C GLU A 63 -5.976 -4.682 10.319 1.00 13.23 C ATOM 934 O GLU A 63 -5.637 -4.705 9.137 1.00 1.52 O ATOM 935 CB GLU A 63 -4.390 -3.677 12.002 1.00 23.13 C ATOM 936 CG GLU A 63 -3.597 -2.375 12.130 1.00 51.43 C ATOM 937 CD GLU A 63 -2.466 -2.519 13.150 1.00 11.31 C ATOM 938 OE1 GLU A 63 -2.788 -2.516 14.358 1.00 42.21 O ATOM 939 OE2 GLU A 63 -1.305 -2.628 12.699 1.00 34.51 O ATOM 0 H GLU A 63 -6.620 -3.334 13.055 1.00 30.04 H new ATOM 0 HA GLU A 63 -5.509 -2.605 10.540 1.00 64.11 H new ATOM 0 HB2 GLU A 63 -4.642 -4.052 12.994 1.00 23.13 H new ATOM 0 HB3 GLU A 63 -3.774 -4.436 11.521 1.00 23.13 H new ATOM 0 HG2 GLU A 63 -3.183 -2.100 11.160 1.00 51.43 H new ATOM 0 HG3 GLU A 63 -4.264 -1.567 12.433 1.00 51.43 H new ATOM 946 N LEU A 64 -6.615 -5.665 10.936 1.00 61.53 N ATOM 947 CA LEU A 64 -6.971 -6.885 10.230 1.00 51.42 C ATOM 948 C LEU A 64 -7.778 -6.528 8.980 1.00 43.34 C ATOM 949 O LEU A 64 -7.490 -7.020 7.890 1.00 51.24 O ATOM 950 CB LEU A 64 -7.689 -7.857 11.168 1.00 10.31 C ATOM 951 CG LEU A 64 -6.797 -8.640 12.133 1.00 3.34 C ATOM 952 CD1 LEU A 64 -7.628 -9.299 13.236 1.00 63.34 C ATOM 953 CD2 LEU A 64 -5.933 -9.655 11.381 1.00 15.43 C ATOM 0 H LEU A 64 -6.895 -5.642 11.916 1.00 61.53 H new ATOM 0 HA LEU A 64 -6.075 -7.406 9.894 1.00 51.42 H new ATOM 0 HB2 LEU A 64 -8.418 -7.295 11.753 1.00 10.31 H new ATOM 0 HB3 LEU A 64 -8.248 -8.570 10.562 1.00 10.31 H new ATOM 0 HG LEU A 64 -6.119 -7.937 12.618 1.00 3.34 H new ATOM 0 HD11 LEU A 64 -6.970 -9.849 13.908 1.00 63.34 H new ATOM 0 HD12 LEU A 64 -8.161 -8.532 13.798 1.00 63.34 H new ATOM 0 HD13 LEU A 64 -8.346 -9.986 12.789 1.00 63.34 H new ATOM 0 HD21 LEU A 64 -5.309 -10.198 12.091 1.00 15.43 H new ATOM 0 HD22 LEU A 64 -6.576 -10.358 10.851 1.00 15.43 H new ATOM 0 HD23 LEU A 64 -5.298 -9.133 10.665 1.00 15.43 H new ATOM 965 N LYS A 65 -8.772 -5.675 9.179 1.00 5.41 N ATOM 966 CA LYS A 65 -9.622 -5.246 8.081 1.00 23.24 C ATOM 967 C LYS A 65 -8.768 -4.541 7.026 1.00 63.34 C ATOM 968 O LYS A 65 -9.205 -4.357 5.891 1.00 44.33 O ATOM 969 CB LYS A 65 -10.781 -4.395 8.603 1.00 75.24 C ATOM 970 CG LYS A 65 -11.809 -4.134 7.499 1.00 2.43 C ATOM 971 CD LYS A 65 -12.508 -2.789 7.708 1.00 3.25 C ATOM 972 CE LYS A 65 -13.219 -2.745 9.062 1.00 23.25 C ATOM 973 NZ LYS A 65 -14.421 -1.885 8.989 1.00 4.43 N ATOM 0 H LYS A 65 -9.008 -5.269 10.085 1.00 5.41 H new ATOM 0 HA LYS A 65 -10.082 -6.107 7.596 1.00 23.24 H new ATOM 0 HB2 LYS A 65 -11.261 -4.902 9.440 1.00 75.24 H new ATOM 0 HB3 LYS A 65 -10.399 -3.447 8.981 1.00 75.24 H new ATOM 0 HG2 LYS A 65 -11.315 -4.144 6.527 1.00 2.43 H new ATOM 0 HG3 LYS A 65 -12.549 -4.935 7.489 1.00 2.43 H new ATOM 0 HD2 LYS A 65 -11.777 -1.982 7.651 1.00 3.25 H new ATOM 0 HD3 LYS A 65 -13.230 -2.622 6.909 1.00 3.25 H new ATOM 0 HE2 LYS A 65 -13.504 -3.753 9.363 1.00 23.25 H new ATOM 0 HE3 LYS A 65 -12.539 -2.365 9.824 1.00 23.25 H new ATOM 0 HZ1 LYS A 65 -14.891 -1.866 9.916 1.00 4.43 H new ATOM 0 HZ2 LYS A 65 -14.141 -0.919 8.723 1.00 4.43 H new ATOM 0 HZ3 LYS A 65 -15.076 -2.264 8.276 1.00 4.43 H new ATOM 986 N LEU A 66 -7.565 -4.167 7.437 1.00 13.40 N ATOM 987 CA LEU A 66 -6.646 -3.486 6.541 1.00 70.12 C ATOM 988 C LEU A 66 -5.614 -4.488 6.019 1.00 3.33 C ATOM 989 O LEU A 66 -4.494 -4.110 5.678 1.00 52.33 O ATOM 990 CB LEU A 66 -6.028 -2.269 7.231 1.00 44.31 C ATOM 991 CG LEU A 66 -7.004 -1.168 7.651 1.00 42.23 C ATOM 992 CD1 LEU A 66 -6.254 0.076 8.131 1.00 43.35 C ATOM 993 CD2 LEU A 66 -7.985 -0.846 6.522 1.00 51.41 C ATOM 0 H LEU A 66 -7.206 -4.323 8.379 1.00 13.40 H new ATOM 0 HA LEU A 66 -7.178 -3.095 5.674 1.00 70.12 H new ATOM 0 HB2 LEU A 66 -5.494 -2.611 8.118 1.00 44.31 H new ATOM 0 HB3 LEU A 66 -5.287 -1.834 6.561 1.00 44.31 H new ATOM 0 HG LEU A 66 -7.591 -1.535 8.493 1.00 42.23 H new ATOM 0 HD11 LEU A 66 -6.971 0.843 8.423 1.00 43.35 H new ATOM 0 HD12 LEU A 66 -5.630 -0.183 8.987 1.00 43.35 H new ATOM 0 HD13 LEU A 66 -5.625 0.455 7.325 1.00 43.35 H new ATOM 0 HD21 LEU A 66 -8.668 -0.061 6.846 1.00 51.41 H new ATOM 0 HD22 LEU A 66 -7.433 -0.508 5.645 1.00 51.41 H new ATOM 0 HD23 LEU A 66 -8.555 -1.740 6.269 1.00 51.41 H new ATOM 1005 N PHE A 67 -6.027 -5.746 5.974 1.00 11.33 N ATOM 1006 CA PHE A 67 -5.152 -6.804 5.500 1.00 32.51 C ATOM 1007 C PHE A 67 -4.940 -6.704 3.988 1.00 24.22 C ATOM 1008 O PHE A 67 -4.166 -7.469 3.415 1.00 62.25 O ATOM 1009 CB PHE A 67 -5.843 -8.132 5.819 1.00 0.21 C ATOM 1010 CG PHE A 67 -5.243 -9.336 5.091 1.00 61.31 C ATOM 1011 CD1 PHE A 67 -3.982 -9.751 5.387 1.00 20.13 C ATOM 1012 CD2 PHE A 67 -5.970 -9.992 4.147 1.00 32.03 C ATOM 1013 CE1 PHE A 67 -3.425 -10.869 4.712 1.00 51.15 C ATOM 1014 CE2 PHE A 67 -5.413 -11.110 3.471 1.00 13.24 C ATOM 1015 CZ PHE A 67 -4.152 -11.525 3.768 1.00 54.42 C ATOM 0 H PHE A 67 -6.956 -6.056 6.258 1.00 11.33 H new ATOM 0 HA PHE A 67 -4.178 -6.725 5.983 1.00 32.51 H new ATOM 0 HB2 PHE A 67 -5.792 -8.308 6.894 1.00 0.21 H new ATOM 0 HB3 PHE A 67 -6.899 -8.052 5.559 1.00 0.21 H new ATOM 0 HD1 PHE A 67 -3.404 -9.230 6.136 1.00 20.13 H new ATOM 0 HD2 PHE A 67 -6.971 -9.663 3.911 1.00 32.03 H new ATOM 0 HE1 PHE A 67 -2.424 -11.199 4.948 1.00 51.15 H new ATOM 0 HE2 PHE A 67 -5.990 -11.631 2.721 1.00 13.24 H new ATOM 0 HZ PHE A 67 -3.728 -12.375 3.254 1.00 54.42 H new ATOM 1025 N LEU A 68 -5.640 -5.754 3.386 1.00 31.51 N ATOM 1026 CA LEU A 68 -5.538 -5.544 1.952 1.00 63.21 C ATOM 1027 C LEU A 68 -4.682 -4.305 1.682 1.00 15.44 C ATOM 1028 O LEU A 68 -4.128 -4.153 0.595 1.00 52.12 O ATOM 1029 CB LEU A 68 -6.929 -5.481 1.319 1.00 12.10 C ATOM 1030 CG LEU A 68 -7.647 -6.820 1.141 1.00 63.51 C ATOM 1031 CD1 LEU A 68 -8.874 -6.669 0.241 1.00 75.43 C ATOM 1032 CD2 LEU A 68 -6.685 -7.893 0.624 1.00 55.20 C ATOM 0 H LEU A 68 -6.280 -5.121 3.865 1.00 31.51 H new ATOM 0 HA LEU A 68 -5.036 -6.388 1.478 1.00 63.21 H new ATOM 0 HB2 LEU A 68 -7.556 -4.834 1.932 1.00 12.10 H new ATOM 0 HB3 LEU A 68 -6.840 -5.006 0.342 1.00 12.10 H new ATOM 0 HG LEU A 68 -8.003 -7.149 2.117 1.00 63.51 H new ATOM 0 HD11 LEU A 68 -9.366 -7.636 0.131 1.00 75.43 H new ATOM 0 HD12 LEU A 68 -9.568 -5.957 0.688 1.00 75.43 H new ATOM 0 HD13 LEU A 68 -8.564 -6.306 -0.739 1.00 75.43 H new ATOM 0 HD21 LEU A 68 -7.220 -8.835 0.506 1.00 55.20 H new ATOM 0 HD22 LEU A 68 -6.278 -7.584 -0.339 1.00 55.20 H new ATOM 0 HD23 LEU A 68 -5.871 -8.025 1.336 1.00 55.20 H new ATOM 1044 N GLN A 69 -4.602 -3.450 2.691 1.00 11.43 N ATOM 1045 CA GLN A 69 -3.824 -2.228 2.577 1.00 43.02 C ATOM 1046 C GLN A 69 -2.334 -2.529 2.754 1.00 31.03 C ATOM 1047 O GLN A 69 -1.506 -1.620 2.730 1.00 13.42 O ATOM 1048 CB GLN A 69 -4.296 -1.180 3.587 1.00 25.52 C ATOM 1049 CG GLN A 69 -5.693 -0.667 3.233 1.00 22.41 C ATOM 1050 CD GLN A 69 -5.982 0.663 3.931 1.00 24.04 C ATOM 1051 OE1 GLN A 69 -5.195 1.164 4.718 1.00 51.41 O ATOM 1052 NE2 GLN A 69 -7.150 1.205 3.601 1.00 35.21 N ATOM 0 H GLN A 69 -5.063 -3.579 3.591 1.00 11.43 H new ATOM 0 HA GLN A 69 -3.976 -1.816 1.579 1.00 43.02 H new ATOM 0 HB2 GLN A 69 -4.306 -1.613 4.587 1.00 25.52 H new ATOM 0 HB3 GLN A 69 -3.593 -0.347 3.607 1.00 25.52 H new ATOM 0 HG2 GLN A 69 -5.775 -0.541 2.153 1.00 22.41 H new ATOM 0 HG3 GLN A 69 -6.440 -1.405 3.525 1.00 22.41 H new ATOM 0 HE21 GLN A 69 -7.762 0.733 2.935 1.00 35.21 H new ATOM 0 HE22 GLN A 69 -7.435 2.093 4.014 1.00 35.21 H new ATOM 1061 N ASN A 70 -2.038 -3.809 2.929 1.00 54.33 N ATOM 1062 CA ASN A 70 -0.663 -4.241 3.110 1.00 10.13 C ATOM 1063 C ASN A 70 0.018 -4.346 1.744 1.00 24.34 C ATOM 1064 O ASN A 70 1.124 -3.842 1.558 1.00 45.40 O ATOM 1065 CB ASN A 70 -0.602 -5.617 3.777 1.00 45.33 C ATOM 1066 CG ASN A 70 -1.589 -6.586 3.125 1.00 72.43 C ATOM 1067 OD1 ASN A 70 -2.438 -6.210 2.333 1.00 2.01 O ATOM 1068 ND2 ASN A 70 -1.432 -7.852 3.500 1.00 31.54 N ATOM 0 H ASN A 70 -2.727 -4.561 2.949 1.00 54.33 H new ATOM 0 HA ASN A 70 -0.160 -3.511 3.744 1.00 10.13 H new ATOM 0 HB2 ASN A 70 0.409 -6.017 3.702 1.00 45.33 H new ATOM 0 HB3 ASN A 70 -0.829 -5.521 4.839 1.00 45.33 H new ATOM 0 HD21 ASN A 70 -2.042 -8.576 3.120 1.00 31.54 H new ATOM 0 HD22 ASN A 70 -0.701 -8.099 4.167 1.00 31.54 H new ATOM 1075 N PHE A 71 -0.671 -5.005 0.824 1.00 25.34 N ATOM 1076 CA PHE A 71 -0.146 -5.183 -0.519 1.00 24.42 C ATOM 1077 C PHE A 71 -0.374 -3.931 -1.367 1.00 51.23 C ATOM 1078 O PHE A 71 -0.106 -3.933 -2.568 1.00 10.53 O ATOM 1079 CB PHE A 71 -0.906 -6.354 -1.144 1.00 61.45 C ATOM 1080 CG PHE A 71 -1.007 -7.585 -0.240 1.00 50.34 C ATOM 1081 CD1 PHE A 71 -2.227 -8.071 0.112 1.00 12.13 C ATOM 1082 CD2 PHE A 71 0.123 -8.192 0.210 1.00 22.04 C ATOM 1083 CE1 PHE A 71 -2.321 -9.213 0.951 1.00 11.43 C ATOM 1084 CE2 PHE A 71 0.029 -9.334 1.049 1.00 4.24 C ATOM 1085 CZ PHE A 71 -1.191 -9.820 1.402 1.00 2.02 C ATOM 0 H PHE A 71 -1.588 -5.422 0.982 1.00 25.34 H new ATOM 0 HA PHE A 71 0.927 -5.370 -0.478 1.00 24.42 H new ATOM 0 HB2 PHE A 71 -1.912 -6.024 -1.404 1.00 61.45 H new ATOM 0 HB3 PHE A 71 -0.414 -6.638 -2.074 1.00 61.45 H new ATOM 0 HD1 PHE A 71 -3.124 -7.589 -0.246 1.00 12.13 H new ATOM 0 HD2 PHE A 71 1.092 -7.806 -0.070 1.00 22.04 H new ATOM 0 HE1 PHE A 71 -3.290 -9.599 1.231 1.00 11.43 H new ATOM 0 HE2 PHE A 71 0.927 -9.817 1.407 1.00 4.24 H new ATOM 0 HZ PHE A 71 -1.262 -10.688 2.041 1.00 2.02 H new ATOM 1095 N LYS A 72 -0.867 -2.891 -0.710 1.00 31.51 N ATOM 1096 CA LYS A 72 -1.135 -1.635 -1.389 1.00 3.02 C ATOM 1097 C LYS A 72 -1.585 -0.592 -0.364 1.00 21.23 C ATOM 1098 O LYS A 72 -2.289 -0.918 0.591 1.00 62.43 O ATOM 1099 CB LYS A 72 -2.131 -1.845 -2.531 1.00 0.30 C ATOM 1100 CG LYS A 72 -2.256 -0.583 -3.388 1.00 61.40 C ATOM 1101 CD LYS A 72 -1.260 -0.609 -4.549 1.00 43.50 C ATOM 1102 CE LYS A 72 -1.051 0.794 -5.123 1.00 11.31 C ATOM 1103 NZ LYS A 72 -0.432 0.718 -6.465 1.00 54.43 N ATOM 0 H LYS A 72 -1.088 -2.893 0.286 1.00 31.51 H new ATOM 0 HA LYS A 72 -0.227 -1.253 -1.855 1.00 3.02 H new ATOM 0 HB2 LYS A 72 -1.807 -2.680 -3.152 1.00 0.30 H new ATOM 0 HB3 LYS A 72 -3.106 -2.110 -2.123 1.00 0.30 H new ATOM 0 HG2 LYS A 72 -3.271 -0.502 -3.777 1.00 61.40 H new ATOM 0 HG3 LYS A 72 -2.079 0.299 -2.772 1.00 61.40 H new ATOM 0 HD2 LYS A 72 -0.307 -1.011 -4.206 1.00 43.50 H new ATOM 0 HD3 LYS A 72 -1.625 -1.275 -5.331 1.00 43.50 H new ATOM 0 HE2 LYS A 72 -2.007 1.314 -5.186 1.00 11.31 H new ATOM 0 HE3 LYS A 72 -0.415 1.376 -4.455 1.00 11.31 H new ATOM 0 HZ1 LYS A 72 -0.297 1.679 -6.840 1.00 54.43 H new ATOM 0 HZ2 LYS A 72 0.489 0.241 -6.396 1.00 54.43 H new ATOM 0 HZ3 LYS A 72 -1.053 0.181 -7.104 1.00 54.43 H new ATOM 1116 N ALA A 73 -1.160 0.641 -0.596 1.00 52.11 N ATOM 1117 CA ALA A 73 -1.511 1.734 0.295 1.00 22.23 C ATOM 1118 C ALA A 73 -2.791 2.405 -0.207 1.00 4.21 C ATOM 1119 O ALA A 73 -3.049 3.567 0.104 1.00 73.13 O ATOM 1120 CB ALA A 73 -0.338 2.712 0.390 1.00 20.43 C ATOM 0 H ALA A 73 -0.576 0.908 -1.388 1.00 52.11 H new ATOM 0 HA ALA A 73 -1.707 1.362 1.300 1.00 22.23 H new ATOM 0 HB1 ALA A 73 -0.601 3.532 1.058 1.00 20.43 H new ATOM 0 HB2 ALA A 73 0.538 2.193 0.780 1.00 20.43 H new ATOM 0 HB3 ALA A 73 -0.114 3.109 -0.600 1.00 20.43 H new ATOM 1126 N GLY A 74 -3.557 1.645 -0.975 1.00 14.21 N ATOM 1127 CA GLY A 74 -4.804 2.152 -1.523 1.00 41.21 C ATOM 1128 C GLY A 74 -5.823 1.025 -1.702 1.00 63.25 C ATOM 1129 O GLY A 74 -6.781 1.164 -2.461 1.00 42.02 O ATOM 0 H GLY A 74 -3.339 0.682 -1.231 1.00 14.21 H new ATOM 0 HA2 GLY A 74 -5.213 2.915 -0.860 1.00 41.21 H new ATOM 0 HA3 GLY A 74 -4.615 2.632 -2.483 1.00 41.21 H new ATOM 1133 N ALA A 75 -5.581 -0.067 -0.991 1.00 50.34 N ATOM 1134 CA ALA A 75 -6.466 -1.217 -1.063 1.00 25.35 C ATOM 1135 C ALA A 75 -7.738 -0.927 -0.265 1.00 12.14 C ATOM 1136 O ALA A 75 -7.793 0.040 0.493 1.00 1.34 O ATOM 1137 CB ALA A 75 -5.730 -2.459 -0.555 1.00 22.10 C ATOM 0 H ALA A 75 -4.785 -0.179 -0.363 1.00 50.34 H new ATOM 0 HA ALA A 75 -6.761 -1.411 -2.094 1.00 25.35 H new ATOM 0 HB1 ALA A 75 -6.393 -3.322 -0.609 1.00 22.10 H new ATOM 0 HB2 ALA A 75 -4.850 -2.639 -1.173 1.00 22.10 H new ATOM 0 HB3 ALA A 75 -5.422 -2.302 0.479 1.00 22.10 H new ATOM 1143 N ARG A 76 -8.731 -1.782 -0.462 1.00 64.25 N ATOM 1144 CA ARG A 76 -9.999 -1.630 0.229 1.00 13.52 C ATOM 1145 C ARG A 76 -9.894 -2.170 1.657 1.00 50.13 C ATOM 1146 O ARG A 76 -8.802 -2.488 2.125 1.00 60.12 O ATOM 1147 CB ARG A 76 -11.120 -2.367 -0.507 1.00 1.14 C ATOM 1148 CG ARG A 76 -10.881 -3.878 -0.497 1.00 24.15 C ATOM 1149 CD ARG A 76 -12.203 -4.642 -0.404 1.00 11.03 C ATOM 1150 NE ARG A 76 -11.962 -6.093 -0.568 1.00 11.12 N ATOM 1151 CZ ARG A 76 -12.832 -7.053 -0.186 1.00 5.50 C ATOM 1152 NH1 ARG A 76 -12.513 -8.319 -0.381 1.00 12.35 N ATOM 1153 NH2 ARG A 76 -14.009 -6.722 0.386 1.00 23.13 N ATOM 0 H ARG A 76 -8.682 -2.583 -1.091 1.00 64.25 H new ATOM 0 HA ARG A 76 -10.236 -0.566 0.256 1.00 13.52 H new ATOM 0 HB2 ARG A 76 -12.077 -2.143 -0.036 1.00 1.14 H new ATOM 0 HB3 ARG A 76 -11.180 -2.011 -1.536 1.00 1.14 H new ATOM 0 HG2 ARG A 76 -10.350 -4.172 -1.403 1.00 24.15 H new ATOM 0 HG3 ARG A 76 -10.244 -4.143 0.346 1.00 24.15 H new ATOM 0 HD2 ARG A 76 -12.676 -4.450 0.559 1.00 11.03 H new ATOM 0 HD3 ARG A 76 -12.891 -4.290 -1.173 1.00 11.03 H new ATOM 0 HE ARG A 76 -11.084 -6.386 -0.996 1.00 11.12 H new ATOM 0 HH11 ARG A 76 -11.621 -8.559 -0.814 1.00 12.35 H new ATOM 0 HH12 ARG A 76 -13.158 -9.057 -0.099 1.00 12.35 H new ATOM 0 HH21 ARG A 76 -14.247 -5.741 0.533 1.00 23.13 H new ATOM 0 HH22 ARG A 76 -14.661 -7.453 0.672 1.00 23.13 H new ATOM 1166 N ALA A 77 -11.044 -2.257 2.309 1.00 71.13 N ATOM 1167 CA ALA A 77 -11.095 -2.754 3.673 1.00 10.53 C ATOM 1168 C ALA A 77 -12.101 -3.903 3.756 1.00 32.20 C ATOM 1169 O ALA A 77 -13.210 -3.801 3.234 1.00 70.25 O ATOM 1170 CB ALA A 77 -11.443 -1.605 4.622 1.00 51.30 C ATOM 0 H ALA A 77 -11.948 -1.992 1.918 1.00 71.13 H new ATOM 0 HA ALA A 77 -10.123 -3.145 3.975 1.00 10.53 H new ATOM 0 HB1 ALA A 77 -11.481 -1.978 5.646 1.00 51.30 H new ATOM 0 HB2 ALA A 77 -10.682 -0.828 4.547 1.00 51.30 H new ATOM 0 HB3 ALA A 77 -12.414 -1.190 4.350 1.00 51.30 H new ATOM 1176 N LEU A 78 -11.678 -4.971 4.416 1.00 32.05 N ATOM 1177 CA LEU A 78 -12.528 -6.139 4.574 1.00 13.23 C ATOM 1178 C LEU A 78 -13.846 -5.720 5.229 1.00 31.13 C ATOM 1179 O LEU A 78 -13.938 -4.641 5.812 1.00 54.31 O ATOM 1180 CB LEU A 78 -11.788 -7.242 5.333 1.00 61.12 C ATOM 1181 CG LEU A 78 -10.644 -7.923 4.578 1.00 33.44 C ATOM 1182 CD1 LEU A 78 -11.001 -8.120 3.104 1.00 61.23 C ATOM 1183 CD2 LEU A 78 -9.335 -7.151 4.753 1.00 32.13 C ATOM 0 H LEU A 78 -10.757 -5.052 4.848 1.00 32.05 H new ATOM 0 HA LEU A 78 -12.775 -6.564 3.601 1.00 13.23 H new ATOM 0 HB2 LEU A 78 -11.387 -6.817 6.253 1.00 61.12 H new ATOM 0 HB3 LEU A 78 -12.511 -8.005 5.622 1.00 61.12 H new ATOM 0 HG LEU A 78 -10.493 -8.913 5.008 1.00 33.44 H new ATOM 0 HD11 LEU A 78 -10.171 -8.606 2.590 1.00 61.23 H new ATOM 0 HD12 LEU A 78 -11.891 -8.744 3.026 1.00 61.23 H new ATOM 0 HD13 LEU A 78 -11.195 -7.151 2.644 1.00 61.23 H new ATOM 0 HD21 LEU A 78 -8.539 -7.656 4.207 1.00 32.13 H new ATOM 0 HD22 LEU A 78 -9.455 -6.139 4.366 1.00 32.13 H new ATOM 0 HD23 LEU A 78 -9.077 -7.107 5.811 1.00 32.13 H new ATOM 1195 N SER A 79 -14.833 -6.596 5.112 1.00 70.23 N ATOM 1196 CA SER A 79 -16.142 -6.331 5.685 1.00 5.12 C ATOM 1197 C SER A 79 -16.106 -6.559 7.198 1.00 60.13 C ATOM 1198 O SER A 79 -15.234 -7.265 7.702 1.00 12.13 O ATOM 1199 CB SER A 79 -17.214 -7.211 5.041 1.00 60.34 C ATOM 1200 OG SER A 79 -18.518 -6.908 5.529 1.00 40.02 O ATOM 0 H SER A 79 -14.753 -7.491 4.629 1.00 70.23 H new ATOM 0 HA SER A 79 -16.398 -5.290 5.486 1.00 5.12 H new ATOM 0 HB2 SER A 79 -17.191 -7.077 3.960 1.00 60.34 H new ATOM 0 HB3 SER A 79 -16.988 -8.259 5.237 1.00 60.34 H new ATOM 0 HG SER A 79 -19.174 -7.490 5.092 1.00 40.02 H new ATOM 1206 N ASP A 80 -17.064 -5.948 7.879 1.00 74.34 N ATOM 1207 CA ASP A 80 -17.154 -6.076 9.323 1.00 2.23 C ATOM 1208 C ASP A 80 -17.175 -7.559 9.700 1.00 41.33 C ATOM 1209 O ASP A 80 -16.825 -7.923 10.821 1.00 34.13 O ATOM 1210 CB ASP A 80 -18.438 -5.435 9.854 1.00 24.14 C ATOM 1211 CG ASP A 80 -18.561 -3.931 9.605 1.00 43.45 C ATOM 1212 OD1 ASP A 80 -17.836 -3.122 10.203 1.00 25.42 O ATOM 1213 OD2 ASP A 80 -19.459 -3.593 8.742 1.00 3.12 O ATOM 0 H ASP A 80 -17.785 -5.363 7.457 1.00 74.34 H new ATOM 0 HA ASP A 80 -16.292 -5.572 9.760 1.00 2.23 H new ATOM 0 HB2 ASP A 80 -19.292 -5.935 9.396 1.00 24.14 H new ATOM 0 HB3 ASP A 80 -18.500 -5.617 10.927 1.00 24.14 H new ATOM 1219 N ALA A 81 -17.588 -8.374 8.741 1.00 52.04 N ATOM 1220 CA ALA A 81 -17.659 -9.809 8.957 1.00 33.03 C ATOM 1221 C ALA A 81 -16.304 -10.438 8.629 1.00 3.22 C ATOM 1222 O ALA A 81 -15.704 -11.104 9.472 1.00 40.32 O ATOM 1223 CB ALA A 81 -18.794 -10.397 8.116 1.00 42.14 C ATOM 0 H ALA A 81 -17.877 -8.068 7.812 1.00 52.04 H new ATOM 0 HA ALA A 81 -17.880 -10.029 10.001 1.00 33.03 H new ATOM 0 HB1 ALA A 81 -18.847 -11.474 8.278 1.00 42.14 H new ATOM 0 HB2 ALA A 81 -19.739 -9.939 8.409 1.00 42.14 H new ATOM 0 HB3 ALA A 81 -18.606 -10.198 7.061 1.00 42.14 H new ATOM 1229 N GLU A 82 -15.860 -10.204 7.403 1.00 73.23 N ATOM 1230 CA GLU A 82 -14.586 -10.739 6.953 1.00 75.52 C ATOM 1231 C GLU A 82 -13.522 -10.558 8.037 1.00 60.23 C ATOM 1232 O GLU A 82 -12.799 -11.498 8.365 1.00 41.42 O ATOM 1233 CB GLU A 82 -14.150 -10.085 5.641 1.00 63.45 C ATOM 1234 CG GLU A 82 -14.999 -10.585 4.470 1.00 42.42 C ATOM 1235 CD GLU A 82 -15.228 -9.472 3.445 1.00 14.32 C ATOM 1236 OE1 GLU A 82 -16.369 -9.019 3.267 1.00 41.03 O ATOM 1237 OE2 GLU A 82 -14.170 -9.076 2.823 1.00 24.24 O ATOM 0 H GLU A 82 -16.360 -9.651 6.707 1.00 73.23 H new ATOM 0 HA GLU A 82 -14.707 -11.806 6.766 1.00 75.52 H new ATOM 0 HB2 GLU A 82 -14.240 -9.002 5.723 1.00 63.45 H new ATOM 0 HB3 GLU A 82 -13.099 -10.305 5.453 1.00 63.45 H new ATOM 0 HG2 GLU A 82 -14.503 -11.429 3.991 1.00 42.42 H new ATOM 0 HG3 GLU A 82 -15.958 -10.947 4.840 1.00 42.42 H new ATOM 1245 N THR A 83 -13.459 -9.344 8.563 1.00 55.23 N ATOM 1246 CA THR A 83 -12.495 -9.027 9.603 1.00 74.42 C ATOM 1247 C THR A 83 -12.737 -9.899 10.837 1.00 40.12 C ATOM 1248 O THR A 83 -11.794 -10.268 11.535 1.00 42.02 O ATOM 1249 CB THR A 83 -12.586 -7.528 9.891 1.00 41.51 C ATOM 1250 OG1 THR A 83 -12.365 -6.916 8.623 1.00 73.43 O ATOM 1251 CG2 THR A 83 -11.426 -7.026 10.753 1.00 2.22 C ATOM 0 H THR A 83 -14.060 -8.567 8.288 1.00 55.23 H new ATOM 0 HA THR A 83 -11.478 -9.249 9.281 1.00 74.42 H new ATOM 0 HB THR A 83 -13.530 -7.312 10.391 1.00 41.51 H new ATOM 0 HG1 THR A 83 -13.221 -6.812 8.156 1.00 73.43 H new ATOM 0 HG21 THR A 83 -11.539 -5.956 10.928 1.00 2.22 H new ATOM 0 HG22 THR A 83 -11.428 -7.552 11.708 1.00 2.22 H new ATOM 0 HG23 THR A 83 -10.483 -7.212 10.238 1.00 2.22 H new ATOM 1259 N LYS A 84 -14.006 -10.203 11.068 1.00 43.40 N ATOM 1260 CA LYS A 84 -14.383 -11.024 12.206 1.00 53.13 C ATOM 1261 C LYS A 84 -13.925 -12.464 11.964 1.00 14.42 C ATOM 1262 O LYS A 84 -13.419 -13.119 12.874 1.00 15.20 O ATOM 1263 CB LYS A 84 -15.882 -10.894 12.486 1.00 3.04 C ATOM 1264 CG LYS A 84 -16.151 -9.813 13.535 1.00 13.11 C ATOM 1265 CD LYS A 84 -16.121 -10.400 14.948 1.00 53.22 C ATOM 1266 CE LYS A 84 -14.718 -10.307 15.550 1.00 10.23 C ATOM 1267 NZ LYS A 84 -14.794 -10.176 17.023 1.00 62.53 N ATOM 0 H LYS A 84 -14.786 -9.896 10.487 1.00 43.40 H new ATOM 0 HA LYS A 84 -13.882 -10.677 13.110 1.00 53.13 H new ATOM 0 HB2 LYS A 84 -16.408 -10.650 11.563 1.00 3.04 H new ATOM 0 HB3 LYS A 84 -16.275 -11.849 12.834 1.00 3.04 H new ATOM 0 HG2 LYS A 84 -15.404 -9.024 13.449 1.00 13.11 H new ATOM 0 HG3 LYS A 84 -17.122 -9.354 13.349 1.00 13.11 H new ATOM 0 HD2 LYS A 84 -16.829 -9.867 15.582 1.00 53.22 H new ATOM 0 HD3 LYS A 84 -16.440 -11.442 14.920 1.00 53.22 H new ATOM 0 HE2 LYS A 84 -14.143 -11.195 15.287 1.00 10.23 H new ATOM 0 HE3 LYS A 84 -14.191 -9.450 15.129 1.00 10.23 H new ATOM 0 HZ1 LYS A 84 -13.835 -10.199 17.424 1.00 62.53 H new ATOM 0 HZ2 LYS A 84 -15.250 -9.274 17.268 1.00 62.53 H new ATOM 0 HZ3 LYS A 84 -15.351 -10.963 17.413 1.00 62.53 H new ATOM 1280 N ALA A 85 -14.119 -12.914 10.733 1.00 13.23 N ATOM 1281 CA ALA A 85 -13.733 -14.264 10.361 1.00 45.04 C ATOM 1282 C ALA A 85 -12.206 -14.362 10.329 1.00 30.32 C ATOM 1283 O ALA A 85 -11.642 -15.413 10.629 1.00 62.55 O ATOM 1284 CB ALA A 85 -14.368 -14.624 9.016 1.00 22.53 C ATOM 0 H ALA A 85 -14.538 -12.368 9.981 1.00 13.23 H new ATOM 0 HA ALA A 85 -14.095 -14.983 11.096 1.00 45.04 H new ATOM 0 HB1 ALA A 85 -14.079 -15.637 8.737 1.00 22.53 H new ATOM 0 HB2 ALA A 85 -15.453 -14.567 9.099 1.00 22.53 H new ATOM 0 HB3 ALA A 85 -14.025 -13.925 8.253 1.00 22.53 H new ATOM 1290 N PHE A 86 -11.581 -13.253 9.964 1.00 1.41 N ATOM 1291 CA PHE A 86 -10.131 -13.200 9.890 1.00 63.54 C ATOM 1292 C PHE A 86 -9.527 -12.782 11.232 1.00 54.21 C ATOM 1293 O PHE A 86 -8.324 -12.918 11.445 1.00 23.11 O ATOM 1294 CB PHE A 86 -9.774 -12.151 8.834 1.00 35.45 C ATOM 1295 CG PHE A 86 -8.321 -12.213 8.362 1.00 64.34 C ATOM 1296 CD1 PHE A 86 -7.722 -13.418 8.160 1.00 42.41 C ATOM 1297 CD2 PHE A 86 -7.627 -11.064 8.143 1.00 12.00 C ATOM 1298 CE1 PHE A 86 -6.373 -13.475 7.721 1.00 24.01 C ATOM 1299 CE2 PHE A 86 -6.278 -11.121 7.704 1.00 21.43 C ATOM 1300 CZ PHE A 86 -5.679 -12.326 7.503 1.00 51.34 C ATOM 0 H PHE A 86 -12.053 -12.383 9.716 1.00 1.41 H new ATOM 0 HA PHE A 86 -9.736 -14.184 9.636 1.00 63.54 H new ATOM 0 HB2 PHE A 86 -10.431 -12.279 7.973 1.00 35.45 H new ATOM 0 HB3 PHE A 86 -9.971 -11.159 9.241 1.00 35.45 H new ATOM 0 HD1 PHE A 86 -8.273 -14.331 8.334 1.00 42.41 H new ATOM 0 HD2 PHE A 86 -8.102 -10.108 8.303 1.00 12.00 H new ATOM 0 HE1 PHE A 86 -5.898 -14.431 7.560 1.00 24.01 H new ATOM 0 HE2 PHE A 86 -5.728 -10.208 7.530 1.00 21.43 H new ATOM 0 HZ PHE A 86 -4.652 -12.370 7.170 1.00 51.34 H new ATOM 1310 N LEU A 87 -10.392 -12.281 12.102 1.00 4.42 N ATOM 1311 CA LEU A 87 -9.959 -11.841 13.418 1.00 71.20 C ATOM 1312 C LEU A 87 -9.912 -13.044 14.363 1.00 41.24 C ATOM 1313 O LEU A 87 -8.950 -13.213 15.110 1.00 63.32 O ATOM 1314 CB LEU A 87 -10.846 -10.700 13.920 1.00 44.53 C ATOM 1315 CG LEU A 87 -10.725 -10.360 15.407 1.00 62.42 C ATOM 1316 CD1 LEU A 87 -9.308 -9.895 15.750 1.00 54.44 C ATOM 1317 CD2 LEU A 87 -11.782 -9.336 15.823 1.00 2.51 C ATOM 0 H LEU A 87 -11.390 -12.170 11.922 1.00 4.42 H new ATOM 0 HA LEU A 87 -8.950 -11.432 13.370 1.00 71.20 H new ATOM 0 HB2 LEU A 87 -10.614 -9.805 13.343 1.00 44.53 H new ATOM 0 HB3 LEU A 87 -11.885 -10.954 13.709 1.00 44.53 H new ATOM 0 HG LEU A 87 -10.913 -11.267 15.981 1.00 62.42 H new ATOM 0 HD11 LEU A 87 -9.250 -9.660 16.813 1.00 54.44 H new ATOM 0 HD12 LEU A 87 -8.598 -10.688 15.514 1.00 54.44 H new ATOM 0 HD13 LEU A 87 -9.066 -9.006 15.168 1.00 54.44 H new ATOM 0 HD21 LEU A 87 -11.674 -9.112 16.884 1.00 2.51 H new ATOM 0 HD22 LEU A 87 -11.651 -8.422 15.244 1.00 2.51 H new ATOM 0 HD23 LEU A 87 -12.776 -9.743 15.638 1.00 2.51 H new ATOM 1329 N LYS A 88 -10.963 -13.848 14.298 1.00 0.13 N ATOM 1330 CA LYS A 88 -11.054 -15.030 15.139 1.00 45.14 C ATOM 1331 C LYS A 88 -10.191 -16.143 14.540 1.00 34.10 C ATOM 1332 O LYS A 88 -9.611 -16.945 15.271 1.00 51.43 O ATOM 1333 CB LYS A 88 -12.516 -15.429 15.346 1.00 1.23 C ATOM 1334 CG LYS A 88 -13.117 -14.701 16.550 1.00 13.41 C ATOM 1335 CD LYS A 88 -14.587 -15.080 16.742 1.00 21.14 C ATOM 1336 CE LYS A 88 -15.380 -14.872 15.451 1.00 54.10 C ATOM 1337 NZ LYS A 88 -16.834 -14.972 15.714 1.00 45.43 N ATOM 0 H LYS A 88 -11.759 -13.704 13.676 1.00 0.13 H new ATOM 0 HA LYS A 88 -10.661 -14.821 16.134 1.00 45.14 H new ATOM 0 HB2 LYS A 88 -13.091 -15.194 14.450 1.00 1.23 H new ATOM 0 HB3 LYS A 88 -12.585 -16.506 15.496 1.00 1.23 H new ATOM 0 HG2 LYS A 88 -12.553 -14.950 17.449 1.00 13.41 H new ATOM 0 HG3 LYS A 88 -13.031 -13.624 16.408 1.00 13.41 H new ATOM 0 HD2 LYS A 88 -14.660 -16.122 17.054 1.00 21.14 H new ATOM 0 HD3 LYS A 88 -15.020 -14.477 17.540 1.00 21.14 H new ATOM 0 HE2 LYS A 88 -15.147 -13.895 15.028 1.00 54.10 H new ATOM 0 HE3 LYS A 88 -15.086 -15.618 14.712 1.00 54.10 H new ATOM 0 HZ1 LYS A 88 -17.358 -14.828 14.827 1.00 45.43 H new ATOM 0 HZ2 LYS A 88 -17.054 -15.914 16.097 1.00 45.43 H new ATOM 0 HZ3 LYS A 88 -17.113 -14.244 16.403 1.00 45.43 H new ATOM 1350 N ALA A 89 -10.135 -16.157 13.216 1.00 22.14 N ATOM 1351 CA ALA A 89 -9.353 -17.159 12.511 1.00 13.23 C ATOM 1352 C ALA A 89 -7.920 -17.151 13.046 1.00 1.52 C ATOM 1353 O ALA A 89 -7.360 -18.203 13.349 1.00 34.22 O ATOM 1354 CB ALA A 89 -9.416 -16.889 11.007 1.00 63.14 C ATOM 0 H ALA A 89 -10.618 -15.491 12.613 1.00 22.14 H new ATOM 0 HA ALA A 89 -9.762 -18.155 12.681 1.00 13.23 H new ATOM 0 HB1 ALA A 89 -8.830 -17.640 10.478 1.00 63.14 H new ATOM 0 HB2 ALA A 89 -10.452 -16.935 10.672 1.00 63.14 H new ATOM 0 HB3 ALA A 89 -9.011 -15.899 10.798 1.00 63.14 H new ATOM 1360 N GLY A 90 -7.366 -15.951 13.146 1.00 54.11 N ATOM 1361 CA GLY A 90 -6.009 -15.792 13.639 1.00 41.40 C ATOM 1362 C GLY A 90 -5.995 -15.615 15.159 1.00 64.33 C ATOM 1363 O GLY A 90 -5.330 -16.369 15.868 1.00 1.44 O ATOM 0 H GLY A 90 -7.833 -15.080 12.894 1.00 54.11 H new ATOM 0 HA2 GLY A 90 -5.414 -16.664 13.365 1.00 41.40 H new ATOM 0 HA3 GLY A 90 -5.545 -14.928 13.164 1.00 41.40 H new ATOM 1367 N ASP A 91 -6.736 -14.616 15.613 1.00 1.34 N ATOM 1368 CA ASP A 91 -6.817 -14.331 17.036 1.00 41.10 C ATOM 1369 C ASP A 91 -7.622 -15.433 17.727 1.00 14.23 C ATOM 1370 O ASP A 91 -8.820 -15.575 17.486 1.00 31.23 O ATOM 1371 CB ASP A 91 -7.523 -12.998 17.291 1.00 10.05 C ATOM 1372 CG ASP A 91 -7.038 -12.235 18.526 1.00 61.31 C ATOM 1373 OD1 ASP A 91 -5.927 -12.469 19.025 1.00 11.22 O ATOM 1374 OD2 ASP A 91 -7.864 -11.356 18.983 1.00 31.53 O ATOM 0 H ASP A 91 -7.286 -13.993 15.021 1.00 1.34 H new ATOM 0 HA ASP A 91 -5.801 -14.282 17.429 1.00 41.10 H new ATOM 0 HB2 ASP A 91 -7.393 -12.362 16.415 1.00 10.05 H new ATOM 0 HB3 ASP A 91 -8.592 -13.184 17.394 1.00 10.05 H new ATOM 1380 N SER A 92 -6.932 -16.184 18.573 1.00 75.01 N ATOM 1381 CA SER A 92 -7.569 -17.269 19.301 1.00 43.22 C ATOM 1382 C SER A 92 -7.885 -16.825 20.731 1.00 63.05 C ATOM 1383 O SER A 92 -8.839 -17.229 21.365 1.00 11.02 O ATOM 1384 CB SER A 92 -6.683 -18.516 19.316 1.00 63.02 C ATOM 1385 OG SER A 92 -6.951 -19.348 20.441 1.00 1.14 O ATOM 0 H SER A 92 -5.939 -16.063 18.771 1.00 75.01 H new ATOM 0 HA SER A 92 -8.499 -17.523 18.792 1.00 43.22 H new ATOM 0 HB2 SER A 92 -6.841 -19.084 18.399 1.00 63.02 H new ATOM 0 HB3 SER A 92 -5.635 -18.216 19.328 1.00 63.02 H new ATOM 0 HG SER A 92 -6.366 -20.134 20.413 1.00 1.14 H new ATOM 1391 N ASP A 93 -7.046 -15.965 21.239 1.00 60.02 N ATOM 1392 CA ASP A 93 -7.248 -15.451 22.623 1.00 42.54 C ATOM 1393 C ASP A 93 -8.392 -14.431 22.641 1.00 62.34 C ATOM 1394 O ASP A 93 -8.839 -14.087 23.734 1.00 42.14 O ATOM 1395 CB ASP A 93 -5.925 -14.779 22.992 1.00 23.11 C ATOM 1396 CG ASP A 93 -5.803 -13.446 22.252 1.00 30.20 C ATOM 1397 OD1 ASP A 93 -5.082 -12.587 22.733 1.00 50.11 O ATOM 1398 OD2 ASP A 93 -6.434 -13.305 21.217 1.00 3.40 O ATOM 0 H ASP A 93 -6.228 -15.595 20.755 1.00 60.02 H new ATOM 0 HA ASP A 93 -7.513 -16.241 23.326 1.00 42.54 H new ATOM 0 HB2 ASP A 93 -5.877 -14.615 24.068 1.00 23.11 H new ATOM 0 HB3 ASP A 93 -5.090 -15.429 22.731 1.00 23.11 H new ATOM 1403 N GLY A 94 -8.828 -13.978 21.475 1.00 74.13 N ATOM 1404 CA GLY A 94 -9.906 -13.006 21.406 1.00 72.03 C ATOM 1405 C GLY A 94 -9.646 -11.831 22.351 1.00 74.13 C ATOM 1406 O GLY A 94 -10.448 -11.559 23.243 1.00 1.50 O ATOM 0 H GLY A 94 -8.455 -14.266 20.571 1.00 74.13 H new ATOM 0 HA2 GLY A 94 -10.006 -12.640 20.384 1.00 72.03 H new ATOM 0 HA3 GLY A 94 -10.850 -13.485 21.667 1.00 72.03 H new ATOM 1410 N ASP A 95 -8.523 -11.167 22.123 1.00 41.15 N ATOM 1411 CA ASP A 95 -8.147 -10.028 22.942 1.00 14.45 C ATOM 1412 C ASP A 95 -8.528 -8.735 22.217 1.00 23.31 C ATOM 1413 O ASP A 95 -8.704 -7.694 22.848 1.00 41.02 O ATOM 1414 CB ASP A 95 -6.638 -10.003 23.193 1.00 53.33 C ATOM 1415 CG ASP A 95 -5.774 -9.984 21.930 1.00 3.45 C ATOM 1416 OD1 ASP A 95 -4.576 -9.665 21.981 1.00 33.53 O ATOM 1417 OD2 ASP A 95 -6.386 -10.318 20.845 1.00 21.03 O ATOM 0 H ASP A 95 -7.861 -11.396 21.382 1.00 41.15 H new ATOM 0 HA ASP A 95 -8.669 -10.112 23.895 1.00 14.45 H new ATOM 0 HB2 ASP A 95 -6.399 -9.125 23.792 1.00 53.33 H new ATOM 0 HB3 ASP A 95 -6.369 -10.877 23.786 1.00 53.33 H new ATOM 1423 N GLY A 96 -8.643 -8.845 20.902 1.00 52.42 N ATOM 1424 CA GLY A 96 -8.999 -7.698 20.084 1.00 54.32 C ATOM 1425 C GLY A 96 -7.868 -7.340 19.119 1.00 44.15 C ATOM 1426 O GLY A 96 -8.025 -6.465 18.269 1.00 52.15 O ATOM 0 H GLY A 96 -8.496 -9.710 20.383 1.00 52.42 H new ATOM 0 HA2 GLY A 96 -9.907 -7.916 19.521 1.00 54.32 H new ATOM 0 HA3 GLY A 96 -9.219 -6.844 20.725 1.00 54.32 H new ATOM 1430 N LYS A 97 -6.752 -8.035 19.282 1.00 5.10 N ATOM 1431 CA LYS A 97 -5.594 -7.801 18.436 1.00 63.53 C ATOM 1432 C LYS A 97 -5.026 -9.145 17.974 1.00 23.00 C ATOM 1433 O LYS A 97 -5.363 -10.189 18.530 1.00 62.44 O ATOM 1434 CB LYS A 97 -4.573 -6.917 19.155 1.00 35.14 C ATOM 1435 CG LYS A 97 -5.269 -5.941 20.107 1.00 65.11 C ATOM 1436 CD LYS A 97 -4.245 -5.139 20.913 1.00 12.12 C ATOM 1437 CE LYS A 97 -3.504 -6.037 21.906 1.00 11.30 C ATOM 1438 NZ LYS A 97 -2.668 -5.223 22.817 1.00 40.25 N ATOM 0 H LYS A 97 -6.625 -8.761 19.988 1.00 5.10 H new ATOM 0 HA LYS A 97 -5.882 -7.250 17.541 1.00 63.53 H new ATOM 0 HB2 LYS A 97 -3.875 -7.541 19.714 1.00 35.14 H new ATOM 0 HB3 LYS A 97 -3.987 -6.361 18.423 1.00 35.14 H new ATOM 0 HG2 LYS A 97 -5.902 -5.261 19.538 1.00 65.11 H new ATOM 0 HG3 LYS A 97 -5.921 -6.491 20.785 1.00 65.11 H new ATOM 0 HD2 LYS A 97 -3.530 -4.671 20.236 1.00 12.12 H new ATOM 0 HD3 LYS A 97 -4.748 -4.335 21.450 1.00 12.12 H new ATOM 0 HE2 LYS A 97 -4.221 -6.619 22.484 1.00 11.30 H new ATOM 0 HE3 LYS A 97 -2.878 -6.747 21.366 1.00 11.30 H new ATOM 0 HZ1 LYS A 97 -2.532 -5.734 23.713 1.00 40.25 H new ATOM 0 HZ2 LYS A 97 -1.743 -5.047 22.375 1.00 40.25 H new ATOM 0 HZ3 LYS A 97 -3.141 -4.316 23.004 1.00 40.25 H new ATOM 1451 N ILE A 98 -4.173 -9.075 16.962 1.00 12.42 N ATOM 1452 CA ILE A 98 -3.555 -10.272 16.419 1.00 32.45 C ATOM 1453 C ILE A 98 -2.040 -10.072 16.349 1.00 50.14 C ATOM 1454 O ILE A 98 -1.550 -9.302 15.524 1.00 71.34 O ATOM 1455 CB ILE A 98 -4.190 -10.642 15.077 1.00 11.14 C ATOM 1456 CG1 ILE A 98 -5.503 -11.400 15.282 1.00 33.03 C ATOM 1457 CG2 ILE A 98 -3.208 -11.423 14.203 1.00 64.33 C ATOM 1458 CD1 ILE A 98 -5.896 -12.167 14.018 1.00 34.23 C ATOM 0 H ILE A 98 -3.896 -8.207 16.504 1.00 12.42 H new ATOM 0 HA ILE A 98 -3.734 -11.124 17.075 1.00 32.45 H new ATOM 0 HB ILE A 98 -4.430 -9.720 14.547 1.00 11.14 H new ATOM 0 HG12 ILE A 98 -5.400 -12.094 16.116 1.00 33.03 H new ATOM 0 HG13 ILE A 98 -6.294 -10.699 15.547 1.00 33.03 H new ATOM 0 HG21 ILE A 98 -3.684 -11.674 13.255 1.00 64.33 H new ATOM 0 HG22 ILE A 98 -2.324 -10.814 14.015 1.00 64.33 H new ATOM 0 HG23 ILE A 98 -2.915 -12.339 14.715 1.00 64.33 H new ATOM 0 HD11 ILE A 98 -6.833 -12.697 14.191 1.00 34.23 H new ATOM 0 HD12 ILE A 98 -6.022 -11.467 13.192 1.00 34.23 H new ATOM 0 HD13 ILE A 98 -5.114 -12.884 13.770 1.00 34.23 H new ATOM 1470 N GLY A 99 -1.340 -10.778 17.224 1.00 12.15 N ATOM 1471 CA GLY A 99 0.109 -10.687 17.272 1.00 62.14 C ATOM 1472 C GLY A 99 0.743 -11.415 16.084 1.00 1.23 C ATOM 1473 O GLY A 99 0.049 -11.799 15.144 1.00 13.34 O ATOM 0 H GLY A 99 -1.750 -11.416 17.906 1.00 12.15 H new ATOM 0 HA2 GLY A 99 0.412 -9.640 17.265 1.00 62.14 H new ATOM 0 HA3 GLY A 99 0.474 -11.118 18.204 1.00 62.14 H new ATOM 1477 N ILE A 100 2.055 -11.582 16.166 1.00 72.43 N ATOM 1478 CA ILE A 100 2.790 -12.257 15.110 1.00 61.14 C ATOM 1479 C ILE A 100 2.604 -13.769 15.250 1.00 30.24 C ATOM 1480 O ILE A 100 2.233 -14.445 14.292 1.00 41.55 O ATOM 1481 CB ILE A 100 4.255 -11.815 15.110 1.00 71.21 C ATOM 1482 CG1 ILE A 100 4.824 -11.802 13.690 1.00 70.44 C ATOM 1483 CG2 ILE A 100 5.089 -12.683 16.054 1.00 63.21 C ATOM 1484 CD1 ILE A 100 4.735 -13.190 13.051 1.00 42.21 C ATOM 0 H ILE A 100 2.628 -11.262 16.947 1.00 72.43 H new ATOM 0 HA ILE A 100 2.396 -11.977 14.133 1.00 61.14 H new ATOM 0 HB ILE A 100 4.304 -10.793 15.485 1.00 71.21 H new ATOM 0 HG12 ILE A 100 4.277 -11.082 13.082 1.00 70.44 H new ATOM 0 HG13 ILE A 100 5.863 -11.475 13.714 1.00 70.44 H new ATOM 0 HG21 ILE A 100 6.126 -12.348 16.035 1.00 63.21 H new ATOM 0 HG22 ILE A 100 4.698 -12.597 17.068 1.00 63.21 H new ATOM 0 HG23 ILE A 100 5.038 -13.723 15.732 1.00 63.21 H new ATOM 0 HD11 ILE A 100 5.146 -13.153 12.042 1.00 42.21 H new ATOM 0 HD12 ILE A 100 5.303 -13.903 13.649 1.00 42.21 H new ATOM 0 HD13 ILE A 100 3.692 -13.504 13.007 1.00 42.21 H new ATOM 1496 N ASP A 101 2.870 -14.257 16.453 1.00 0.43 N ATOM 1497 CA ASP A 101 2.736 -15.676 16.732 1.00 65.41 C ATOM 1498 C ASP A 101 1.363 -16.157 16.260 1.00 32.31 C ATOM 1499 O ASP A 101 1.197 -17.324 15.906 1.00 44.52 O ATOM 1500 CB ASP A 101 2.846 -15.956 18.232 1.00 14.12 C ATOM 1501 CG ASP A 101 2.403 -14.805 19.138 1.00 33.22 C ATOM 1502 OD1 ASP A 101 3.104 -14.438 20.093 1.00 52.34 O ATOM 1503 OD2 ASP A 101 1.270 -14.271 18.827 1.00 23.31 O ATOM 0 H ASP A 101 3.178 -13.694 17.246 1.00 0.43 H new ATOM 0 HA ASP A 101 3.536 -16.199 16.209 1.00 65.41 H new ATOM 0 HB2 ASP A 101 2.246 -16.835 18.467 1.00 14.12 H new ATOM 0 HB3 ASP A 101 3.881 -16.204 18.465 1.00 14.12 H new ATOM 1509 N GLU A 102 0.412 -15.234 16.271 1.00 64.33 N ATOM 1510 CA GLU A 102 -0.942 -15.549 15.848 1.00 23.43 C ATOM 1511 C GLU A 102 -1.081 -15.369 14.335 1.00 13.14 C ATOM 1512 O GLU A 102 -1.670 -16.210 13.658 1.00 32.00 O ATOM 1513 CB GLU A 102 -1.964 -14.693 16.599 1.00 24.51 C ATOM 1514 CG GLU A 102 -2.426 -15.389 17.881 1.00 64.40 C ATOM 1515 CD GLU A 102 -2.759 -14.368 18.970 1.00 51.41 C ATOM 1516 OE1 GLU A 102 -3.966 -14.218 19.257 1.00 54.21 O ATOM 1517 OE2 GLU A 102 -1.799 -13.760 19.491 1.00 51.32 O ATOM 0 H GLU A 102 0.553 -14.268 16.566 1.00 64.33 H new ATOM 0 HA GLU A 102 -1.144 -16.593 16.090 1.00 23.43 H new ATOM 0 HB2 GLU A 102 -1.524 -13.726 16.844 1.00 24.51 H new ATOM 0 HB3 GLU A 102 -2.823 -14.499 15.957 1.00 24.51 H new ATOM 0 HG2 GLU A 102 -3.303 -16.001 17.671 1.00 64.40 H new ATOM 0 HG3 GLU A 102 -1.645 -16.062 18.235 1.00 64.40 H new ATOM 1524 N PHE A 103 -0.530 -14.267 13.850 1.00 42.53 N ATOM 1525 CA PHE A 103 -0.585 -13.965 12.429 1.00 14.04 C ATOM 1526 C PHE A 103 0.070 -15.076 11.607 1.00 70.22 C ATOM 1527 O PHE A 103 -0.335 -15.337 10.475 1.00 34.32 O ATOM 1528 CB PHE A 103 0.192 -12.664 12.218 1.00 75.14 C ATOM 1529 CG PHE A 103 0.538 -12.377 10.755 1.00 23.52 C ATOM 1530 CD1 PHE A 103 1.839 -12.342 10.359 1.00 31.21 C ATOM 1531 CD2 PHE A 103 -0.454 -12.158 9.851 1.00 0.15 C ATOM 1532 CE1 PHE A 103 2.161 -12.076 9.002 1.00 73.21 C ATOM 1533 CE2 PHE A 103 -0.132 -11.892 8.494 1.00 11.22 C ATOM 1534 CZ PHE A 103 1.168 -11.857 8.098 1.00 5.51 C ATOM 0 H PHE A 103 -0.043 -13.572 14.415 1.00 42.53 H new ATOM 0 HA PHE A 103 -1.623 -13.876 12.107 1.00 14.04 H new ATOM 0 HB2 PHE A 103 -0.395 -11.834 12.612 1.00 75.14 H new ATOM 0 HB3 PHE A 103 1.114 -12.705 12.798 1.00 75.14 H new ATOM 0 HD1 PHE A 103 2.627 -12.517 11.077 1.00 31.21 H new ATOM 0 HD2 PHE A 103 -1.487 -12.186 10.165 1.00 0.15 H new ATOM 0 HE1 PHE A 103 3.194 -12.048 8.687 1.00 73.21 H new ATOM 0 HE2 PHE A 103 -0.920 -11.717 7.776 1.00 11.22 H new ATOM 0 HZ PHE A 103 1.413 -11.655 7.066 1.00 5.51 H new ATOM 1544 N ALA A 104 1.072 -15.701 12.208 1.00 41.14 N ATOM 1545 CA ALA A 104 1.788 -16.778 11.545 1.00 55.02 C ATOM 1546 C ALA A 104 1.060 -18.100 11.800 1.00 44.15 C ATOM 1547 O ALA A 104 1.432 -19.134 11.246 1.00 2.42 O ATOM 1548 CB ALA A 104 3.237 -16.806 12.035 1.00 53.22 C ATOM 0 H ALA A 104 1.405 -15.482 13.147 1.00 41.14 H new ATOM 0 HA ALA A 104 1.812 -16.617 10.467 1.00 55.02 H new ATOM 0 HB1 ALA A 104 3.774 -17.614 11.538 1.00 53.22 H new ATOM 0 HB2 ALA A 104 3.717 -15.855 11.804 1.00 53.22 H new ATOM 0 HB3 ALA A 104 3.254 -16.969 13.113 1.00 53.22 H new ATOM 1554 N ALA A 105 0.037 -18.023 12.637 1.00 31.54 N ATOM 1555 CA ALA A 105 -0.746 -19.201 12.972 1.00 23.12 C ATOM 1556 C ALA A 105 -1.806 -19.427 11.893 1.00 15.10 C ATOM 1557 O ALA A 105 -1.890 -20.510 11.316 1.00 24.12 O ATOM 1558 CB ALA A 105 -1.357 -19.029 14.364 1.00 32.10 C ATOM 0 H ALA A 105 -0.268 -17.164 13.094 1.00 31.54 H new ATOM 0 HA ALA A 105 -0.113 -20.088 13.002 1.00 23.12 H new ATOM 0 HB1 ALA A 105 -1.944 -19.912 14.615 1.00 32.10 H new ATOM 0 HB2 ALA A 105 -0.561 -18.902 15.098 1.00 32.10 H new ATOM 0 HB3 ALA A 105 -2.002 -18.150 14.372 1.00 32.10 H new ATOM 1564 N MET A 106 -2.591 -18.387 11.653 1.00 50.42 N ATOM 1565 CA MET A 106 -3.643 -18.458 10.653 1.00 11.21 C ATOM 1566 C MET A 106 -3.093 -18.946 9.311 1.00 4.25 C ATOM 1567 O MET A 106 -3.841 -19.451 8.476 1.00 0.11 O ATOM 1568 CB MET A 106 -4.272 -17.075 10.474 1.00 11.43 C ATOM 1569 CG MET A 106 -3.208 -16.028 10.137 1.00 11.13 C ATOM 1570 SD MET A 106 -3.787 -14.401 10.590 1.00 22.33 S ATOM 1571 CE MET A 106 -5.528 -14.584 10.243 1.00 51.12 C ATOM 0 H MET A 106 -2.520 -17.490 12.134 1.00 50.42 H new ATOM 0 HA MET A 106 -4.396 -19.168 10.996 1.00 11.21 H new ATOM 0 HB2 MET A 106 -5.017 -17.111 9.679 1.00 11.43 H new ATOM 0 HB3 MET A 106 -4.794 -16.788 11.387 1.00 11.43 H new ATOM 0 HG2 MET A 106 -2.283 -16.254 10.667 1.00 11.13 H new ATOM 0 HG3 MET A 106 -2.981 -16.058 9.071 1.00 11.13 H new ATOM 0 HE1 MET A 106 -5.988 -13.599 10.160 1.00 51.12 H new ATOM 0 HE2 MET A 106 -5.657 -15.125 9.306 1.00 51.12 H new ATOM 0 HE3 MET A 106 -6.004 -15.140 11.051 1.00 51.12 H new ATOM 1581 N ILE A 107 -1.789 -18.778 9.147 1.00 42.43 N ATOM 1582 CA ILE A 107 -1.129 -19.195 7.921 1.00 54.41 C ATOM 1583 C ILE A 107 -0.508 -20.578 8.126 1.00 13.31 C ATOM 1584 O ILE A 107 -0.610 -21.443 7.258 1.00 54.12 O ATOM 1585 CB ILE A 107 -0.128 -18.132 7.463 1.00 22.42 C ATOM 1586 CG1 ILE A 107 0.780 -17.701 8.617 1.00 32.31 C ATOM 1587 CG2 ILE A 107 -0.845 -16.942 6.823 1.00 70.33 C ATOM 1588 CD1 ILE A 107 1.954 -16.864 8.107 1.00 4.14 C ATOM 0 H ILE A 107 -1.172 -18.359 9.842 1.00 42.43 H new ATOM 0 HA ILE A 107 -1.853 -19.288 7.111 1.00 54.41 H new ATOM 0 HB ILE A 107 0.511 -18.572 6.697 1.00 22.42 H new ATOM 0 HG12 ILE A 107 0.205 -17.124 9.341 1.00 32.31 H new ATOM 0 HG13 ILE A 107 1.156 -18.582 9.137 1.00 32.31 H new ATOM 0 HG21 ILE A 107 -0.110 -16.202 6.507 1.00 70.33 H new ATOM 0 HG22 ILE A 107 -1.413 -17.282 5.957 1.00 70.33 H new ATOM 0 HG23 ILE A 107 -1.523 -16.493 7.548 1.00 70.33 H new ATOM 0 HD11 ILE A 107 2.584 -16.571 8.947 1.00 4.14 H new ATOM 0 HD12 ILE A 107 2.541 -17.452 7.402 1.00 4.14 H new ATOM 0 HD13 ILE A 107 1.575 -15.972 7.608 1.00 4.14 H new ATOM 1600 N LYS A 108 0.122 -20.743 9.280 1.00 53.02 N ATOM 1601 CA LYS A 108 0.759 -22.006 9.610 1.00 23.21 C ATOM 1602 C LYS A 108 -0.305 -23.103 9.695 1.00 5.53 C ATOM 1603 O LYS A 108 0.009 -24.287 9.587 1.00 44.15 O ATOM 1604 CB LYS A 108 1.601 -21.866 10.880 1.00 12.32 C ATOM 1605 CG LYS A 108 2.221 -23.207 11.278 1.00 42.40 C ATOM 1606 CD LYS A 108 3.687 -23.034 11.682 1.00 71.34 C ATOM 1607 CE LYS A 108 4.455 -24.349 11.532 1.00 40.14 C ATOM 1608 NZ LYS A 108 3.736 -25.450 12.211 1.00 2.32 N ATOM 0 H LYS A 108 0.205 -20.023 9.998 1.00 53.02 H new ATOM 0 HA LYS A 108 1.456 -22.298 8.824 1.00 23.21 H new ATOM 0 HB2 LYS A 108 2.389 -21.131 10.719 1.00 12.32 H new ATOM 0 HB3 LYS A 108 0.979 -21.493 11.694 1.00 12.32 H new ATOM 0 HG2 LYS A 108 1.660 -23.640 12.107 1.00 42.40 H new ATOM 0 HG3 LYS A 108 2.150 -23.906 10.445 1.00 42.40 H new ATOM 0 HD2 LYS A 108 4.150 -22.265 11.063 1.00 71.34 H new ATOM 0 HD3 LYS A 108 3.745 -22.690 12.715 1.00 71.34 H new ATOM 0 HE2 LYS A 108 4.580 -24.586 10.475 1.00 40.14 H new ATOM 0 HE3 LYS A 108 5.454 -24.244 11.955 1.00 40.14 H new ATOM 0 HZ1 LYS A 108 4.379 -26.258 12.338 1.00 2.32 H new ATOM 0 HZ2 LYS A 108 3.401 -25.125 13.140 1.00 2.32 H new ATOM 0 HZ3 LYS A 108 2.923 -25.742 11.632 1.00 2.32 H new ATOM 1621 N GLY A 109 -1.541 -22.669 9.889 1.00 13.32 N ATOM 1622 CA GLY A 109 -2.653 -23.599 9.990 1.00 13.43 C ATOM 1623 C GLY A 109 -3.716 -23.299 8.931 1.00 32.51 C ATOM 1624 O GLY A 109 -4.371 -22.260 8.980 1.00 11.52 O ATOM 0 H GLY A 109 -1.797 -21.686 9.979 1.00 13.32 H new ATOM 0 HA2 GLY A 109 -2.290 -24.620 9.868 1.00 13.43 H new ATOM 0 HA3 GLY A 109 -3.096 -23.535 10.984 1.00 13.43 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 -0.099 -2.702 15.277 1.00 51.13 CA HETATM 1630 CA CA A 202 -3.481 -11.564 20.165 1.00 42.22 CA