USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 59 THR OG1 : rot -35:sc= 0.292 USER MOD Set 1.2: A 63 TYR OH : rot 15:sc= -3.69! USER MOD Set 2.1: A 15 SER OG : rot 64:sc= 0.0741 USER MOD Set 2.2: A 37 GLN : amide:sc= -0.201 X(o=-0.13,f=0) USER MOD Set 3.1: A 14 THR OG1 : rot 125:sc= 1.23 USER MOD Set 3.2: A 16 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -135:sc= -1.63 (180deg=-7.18!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot -160:sc= -1.73! USER MOD Single : A 19 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.2!) USER MOD Single : A 20 ASN : amide:sc= -4.35! C(o=-4.4!,f=-2.5!) USER MOD Single : A 25 MET CE :methyl -121:sc= -5.23! (180deg=-10.4!) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 0.0457 (180deg=0.0139) USER MOD Single : A 29 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.64) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.125 (180deg=-0.549) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 120:sc= -0.946 USER MOD Single : A 55 THR OG1 : rot 103:sc= 1.01 USER MOD Single : A 56 THR OG1 : rot 70:sc= -0.75 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.013) USER MOD Single : A 72 ASN : amide:sc= 0.98 K(o=0.98,f=-1.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.696 K(o=-0.7,f=-0.024) USER MOD Single : A 85 GLN : amide:sc= -0.304 K(o=-0.3,f=-0.88) USER MOD Single : A 88 THR OG1 : rot 9:sc= -0.172 USER MOD Single : A 91 GLN : amide:sc= -2.97 K(o=-3,f=-3.9!) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= -0.351 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.597 0.606 0.399 1.00 15.22 N ATOM 2 CA MET A 1 2.647 0.269 -1.019 1.00 33.03 C ATOM 3 C MET A 1 3.365 -1.059 -1.237 1.00 2.24 C ATOM 4 O MET A 1 4.432 -1.299 -0.671 1.00 62.43 O ATOM 5 CB MET A 1 3.350 1.378 -1.804 1.00 21.31 C ATOM 6 CG MET A 1 2.422 2.505 -2.228 1.00 24.24 C ATOM 7 SD MET A 1 3.307 4.033 -2.593 1.00 24.31 S ATOM 8 CE MET A 1 1.966 5.219 -2.549 1.00 45.41 C ATOM 0 H1 MET A 1 2.104 1.513 0.523 1.00 15.22 H new ATOM 0 H2 MET A 1 2.086 -0.139 0.915 1.00 15.22 H new ATOM 0 H3 MET A 1 3.565 0.684 0.772 1.00 15.22 H new ATOM 0 HA MET A 1 1.623 0.171 -1.380 1.00 33.03 H new ATOM 0 HB2 MET A 1 4.154 1.790 -1.194 1.00 21.31 H new ATOM 0 HB3 MET A 1 3.813 0.946 -2.691 1.00 21.31 H new ATOM 0 HG2 MET A 1 1.860 2.196 -3.109 1.00 24.24 H new ATOM 0 HG3 MET A 1 1.696 2.690 -1.436 1.00 24.24 H new ATOM 0 HE1 MET A 1 2.355 6.216 -2.757 1.00 45.41 H new ATOM 0 HE2 MET A 1 1.222 4.956 -3.301 1.00 45.41 H new ATOM 0 HE3 MET A 1 1.503 5.208 -1.562 1.00 45.41 H new ATOM 18 N LYS A 2 2.774 -1.918 -2.059 1.00 72.42 N ATOM 19 CA LYS A 2 3.357 -3.222 -2.353 1.00 42.00 C ATOM 20 C LYS A 2 4.388 -3.117 -3.472 1.00 44.20 C ATOM 21 O LYS A 2 4.163 -3.597 -4.582 1.00 60.43 O ATOM 22 CB LYS A 2 2.263 -4.217 -2.746 1.00 15.33 C ATOM 23 CG LYS A 2 1.608 -4.902 -1.558 1.00 45.42 C ATOM 24 CD LYS A 2 2.568 -5.857 -0.868 1.00 15.44 C ATOM 25 CE LYS A 2 2.973 -7.000 -1.785 1.00 74.11 C ATOM 26 NZ LYS A 2 4.285 -6.746 -2.441 1.00 70.44 N ATOM 0 H LYS A 2 1.890 -1.735 -2.534 1.00 72.42 H new ATOM 0 HA LYS A 2 3.858 -3.579 -1.453 1.00 42.00 H new ATOM 0 HB2 LYS A 2 1.498 -3.695 -3.321 1.00 15.33 H new ATOM 0 HB3 LYS A 2 2.692 -4.975 -3.401 1.00 15.33 H new ATOM 0 HG2 LYS A 2 1.266 -4.151 -0.846 1.00 45.42 H new ATOM 0 HG3 LYS A 2 0.726 -5.449 -1.892 1.00 45.42 H new ATOM 0 HD2 LYS A 2 3.457 -5.313 -0.549 1.00 15.44 H new ATOM 0 HD3 LYS A 2 2.100 -6.259 0.031 1.00 15.44 H new ATOM 0 HE2 LYS A 2 3.027 -7.925 -1.211 1.00 74.11 H new ATOM 0 HE3 LYS A 2 2.207 -7.143 -2.547 1.00 74.11 H new ATOM 0 HZ1 LYS A 2 4.221 -6.986 -3.451 1.00 70.44 H new ATOM 0 HZ2 LYS A 2 4.535 -5.742 -2.339 1.00 70.44 H new ATOM 0 HZ3 LYS A 2 5.017 -7.332 -1.992 1.00 70.44 H new ATOM 40 N GLN A 3 5.519 -2.487 -3.171 1.00 44.10 N ATOM 41 CA GLN A 3 6.585 -2.320 -4.152 1.00 71.34 C ATOM 42 C GLN A 3 7.046 -3.671 -4.690 1.00 55.04 C ATOM 43 O GLN A 3 7.586 -4.494 -3.951 1.00 51.12 O ATOM 44 CB GLN A 3 7.768 -1.575 -3.531 1.00 34.41 C ATOM 45 CG GLN A 3 8.544 -0.728 -4.526 1.00 71.21 C ATOM 46 CD GLN A 3 9.416 0.312 -3.852 1.00 2.14 C ATOM 47 OE1 GLN A 3 8.949 1.395 -3.497 1.00 23.24 O ATOM 48 NE2 GLN A 3 10.691 -0.011 -3.671 1.00 23.33 N ATOM 0 H GLN A 3 5.721 -2.084 -2.256 1.00 44.10 H new ATOM 0 HA GLN A 3 6.191 -1.733 -4.982 1.00 71.34 H new ATOM 0 HB2 GLN A 3 7.402 -0.934 -2.729 1.00 34.41 H new ATOM 0 HB3 GLN A 3 8.445 -2.299 -3.077 1.00 34.41 H new ATOM 0 HG2 GLN A 3 9.168 -1.377 -5.141 1.00 71.21 H new ATOM 0 HG3 GLN A 3 7.844 -0.230 -5.197 1.00 71.21 H new ATOM 0 HE21 GLN A 3 11.036 -0.920 -3.981 1.00 23.33 H new ATOM 0 HE22 GLN A 3 11.326 0.649 -3.222 1.00 23.33 H new ATOM 57 N VAL A 4 6.828 -3.893 -5.983 1.00 33.22 N ATOM 58 CA VAL A 4 7.221 -5.144 -6.620 1.00 41.04 C ATOM 59 C VAL A 4 8.240 -4.900 -7.728 1.00 53.40 C ATOM 60 O VAL A 4 8.086 -3.984 -8.537 1.00 52.23 O ATOM 61 CB VAL A 4 6.004 -5.880 -7.211 1.00 32.12 C ATOM 62 CG1 VAL A 4 6.437 -7.173 -7.886 1.00 11.34 C ATOM 63 CG2 VAL A 4 4.971 -6.154 -6.128 1.00 71.31 C ATOM 0 H VAL A 4 6.382 -3.223 -6.609 1.00 33.22 H new ATOM 0 HA VAL A 4 7.671 -5.765 -5.846 1.00 41.04 H new ATOM 0 HB VAL A 4 5.546 -5.241 -7.966 1.00 32.12 H new ATOM 0 HG11 VAL A 4 5.564 -7.679 -8.297 1.00 11.34 H new ATOM 0 HG12 VAL A 4 7.138 -6.947 -8.690 1.00 11.34 H new ATOM 0 HG13 VAL A 4 6.921 -7.821 -7.155 1.00 11.34 H new ATOM 0 HG21 VAL A 4 4.118 -6.675 -6.563 1.00 71.31 H new ATOM 0 HG22 VAL A 4 5.416 -6.774 -5.349 1.00 71.31 H new ATOM 0 HG23 VAL A 4 4.639 -5.210 -5.695 1.00 71.31 H new ATOM 73 N LEU A 5 9.281 -5.724 -7.759 1.00 74.32 N ATOM 74 CA LEU A 5 10.326 -5.599 -8.769 1.00 2.22 C ATOM 75 C LEU A 5 10.367 -6.831 -9.667 1.00 75.00 C ATOM 76 O LEU A 5 9.693 -7.827 -9.403 1.00 24.33 O ATOM 77 CB LEU A 5 11.687 -5.397 -8.100 1.00 11.42 C ATOM 78 CG LEU A 5 11.920 -4.031 -7.452 1.00 31.32 C ATOM 79 CD1 LEU A 5 11.144 -3.920 -6.149 1.00 2.35 C ATOM 80 CD2 LEU A 5 13.405 -3.801 -7.212 1.00 71.22 C ATOM 0 H LEU A 5 9.424 -6.486 -7.096 1.00 74.32 H new ATOM 0 HA LEU A 5 10.098 -4.730 -9.386 1.00 2.22 H new ATOM 0 HB2 LEU A 5 11.812 -6.165 -7.337 1.00 11.42 H new ATOM 0 HB3 LEU A 5 12.464 -5.560 -8.847 1.00 11.42 H new ATOM 0 HG LEU A 5 11.559 -3.260 -8.133 1.00 31.32 H new ATOM 0 HD11 LEU A 5 11.322 -2.942 -5.702 1.00 2.35 H new ATOM 0 HD12 LEU A 5 10.079 -4.040 -6.348 1.00 2.35 H new ATOM 0 HD13 LEU A 5 11.474 -4.699 -5.461 1.00 2.35 H new ATOM 0 HD21 LEU A 5 13.552 -2.824 -6.751 1.00 71.22 H new ATOM 0 HD22 LEU A 5 13.791 -4.577 -6.551 1.00 71.22 H new ATOM 0 HD23 LEU A 5 13.937 -3.837 -8.163 1.00 71.22 H new ATOM 92 N VAL A 6 11.162 -6.757 -10.729 1.00 42.13 N ATOM 93 CA VAL A 6 11.293 -7.867 -11.665 1.00 65.21 C ATOM 94 C VAL A 6 12.701 -7.931 -12.248 1.00 32.31 C ATOM 95 O VAL A 6 13.089 -7.086 -13.054 1.00 73.42 O ATOM 96 CB VAL A 6 10.277 -7.754 -12.817 1.00 43.50 C ATOM 97 CG1 VAL A 6 10.430 -8.920 -13.781 1.00 33.32 C ATOM 98 CG2 VAL A 6 8.859 -7.684 -12.271 1.00 22.11 C ATOM 0 H VAL A 6 11.725 -5.940 -10.963 1.00 42.13 H new ATOM 0 HA VAL A 6 11.093 -8.779 -11.103 1.00 65.21 H new ATOM 0 HB VAL A 6 10.476 -6.833 -13.365 1.00 43.50 H new ATOM 0 HG11 VAL A 6 9.704 -8.823 -14.588 1.00 33.32 H new ATOM 0 HG12 VAL A 6 11.437 -8.918 -14.197 1.00 33.32 H new ATOM 0 HG13 VAL A 6 10.259 -9.856 -13.250 1.00 33.32 H new ATOM 0 HG21 VAL A 6 8.154 -7.604 -13.098 1.00 22.11 H new ATOM 0 HG22 VAL A 6 8.645 -8.586 -11.697 1.00 22.11 H new ATOM 0 HG23 VAL A 6 8.760 -6.811 -11.625 1.00 22.11 H new ATOM 108 N ALA A 7 13.461 -8.940 -11.835 1.00 1.25 N ATOM 109 CA ALA A 7 14.825 -9.116 -12.317 1.00 60.15 C ATOM 110 C ALA A 7 14.934 -10.340 -13.221 1.00 54.30 C ATOM 111 O ALA A 7 15.457 -11.378 -12.815 1.00 70.23 O ATOM 112 CB ALA A 7 15.788 -9.236 -11.146 1.00 5.41 C ATOM 0 H ALA A 7 13.155 -9.648 -11.168 1.00 1.25 H new ATOM 0 HA ALA A 7 15.092 -8.237 -12.904 1.00 60.15 H new ATOM 0 HB1 ALA A 7 16.803 -9.367 -11.521 1.00 5.41 H new ATOM 0 HB2 ALA A 7 15.739 -8.331 -10.541 1.00 5.41 H new ATOM 0 HB3 ALA A 7 15.513 -10.096 -10.536 1.00 5.41 H new ATOM 118 N CYS A 8 14.436 -10.211 -14.446 1.00 10.22 N ATOM 119 CA CYS A 8 14.476 -11.307 -15.407 1.00 31.53 C ATOM 120 C CYS A 8 15.728 -11.225 -16.274 1.00 21.44 C ATOM 121 O CYS A 8 16.342 -10.167 -16.396 1.00 45.41 O ATOM 122 CB CYS A 8 13.227 -11.285 -16.290 1.00 23.25 C ATOM 123 SG CYS A 8 11.689 -11.627 -15.402 1.00 5.41 S ATOM 0 H CYS A 8 14.000 -9.358 -14.797 1.00 10.22 H new ATOM 0 HA CYS A 8 14.502 -12.244 -14.851 1.00 31.53 H new ATOM 0 HB2 CYS A 8 13.149 -10.308 -16.767 1.00 23.25 H new ATOM 0 HB3 CYS A 8 13.345 -12.020 -17.087 1.00 23.25 H new ATOM 0 HG CYS A 8 10.774 -12.001 -16.247 1.00 5.41 H new ATOM 129 N GLY A 9 16.102 -12.352 -16.873 1.00 31.13 N ATOM 130 CA GLY A 9 17.280 -12.387 -17.719 1.00 43.51 C ATOM 131 C GLY A 9 17.102 -13.288 -18.925 1.00 21.25 C ATOM 132 O GLY A 9 16.793 -14.471 -18.783 1.00 4.00 O ATOM 0 H GLY A 9 15.610 -13.241 -16.787 1.00 31.13 H new ATOM 0 HA2 GLY A 9 17.512 -11.376 -18.056 1.00 43.51 H new ATOM 0 HA3 GLY A 9 18.133 -12.732 -17.135 1.00 43.51 H new ATOM 136 N ALA A 10 17.295 -12.728 -20.114 1.00 65.22 N ATOM 137 CA ALA A 10 17.155 -13.490 -21.349 1.00 14.21 C ATOM 138 C ALA A 10 17.598 -12.668 -22.554 1.00 40.05 C ATOM 139 O ALA A 10 17.606 -11.439 -22.511 1.00 1.51 O ATOM 140 CB ALA A 10 15.715 -13.951 -21.523 1.00 63.40 C ATOM 0 H ALA A 10 17.549 -11.749 -20.249 1.00 65.22 H new ATOM 0 HA ALA A 10 17.801 -14.366 -21.282 1.00 14.21 H new ATOM 0 HB1 ALA A 10 15.624 -14.519 -22.449 1.00 63.40 H new ATOM 0 HB2 ALA A 10 15.431 -14.582 -20.681 1.00 63.40 H new ATOM 0 HB3 ALA A 10 15.057 -13.083 -21.564 1.00 63.40 H new ATOM 146 N GLY A 11 17.967 -13.356 -23.631 1.00 24.03 N ATOM 147 CA GLY A 11 18.408 -12.673 -24.833 1.00 0.22 C ATOM 148 C GLY A 11 17.261 -12.033 -25.589 1.00 50.15 C ATOM 149 O GLY A 11 17.426 -10.978 -26.204 1.00 34.43 O ATOM 0 H GLY A 11 17.968 -14.374 -23.692 1.00 24.03 H new ATOM 0 HA2 GLY A 11 19.136 -11.907 -24.566 1.00 0.22 H new ATOM 0 HA3 GLY A 11 18.918 -13.383 -25.485 1.00 0.22 H new ATOM 153 N ILE A 12 16.097 -12.672 -25.547 1.00 72.01 N ATOM 154 CA ILE A 12 14.919 -12.159 -26.235 1.00 14.53 C ATOM 155 C ILE A 12 13.795 -11.857 -25.249 1.00 51.40 C ATOM 156 O ILE A 12 13.063 -10.880 -25.406 1.00 43.35 O ATOM 157 CB ILE A 12 14.405 -13.154 -27.292 1.00 3.12 C ATOM 158 CG1 ILE A 12 15.526 -13.517 -28.269 1.00 15.22 C ATOM 159 CG2 ILE A 12 13.215 -12.569 -28.036 1.00 53.44 C ATOM 160 CD1 ILE A 12 15.137 -14.589 -29.262 1.00 61.41 C ATOM 0 H ILE A 12 15.944 -13.546 -25.044 1.00 72.01 H new ATOM 0 HA ILE A 12 15.221 -11.238 -26.733 1.00 14.53 H new ATOM 0 HB ILE A 12 14.080 -14.063 -26.786 1.00 3.12 H new ATOM 0 HG12 ILE A 12 15.828 -12.622 -28.813 1.00 15.22 H new ATOM 0 HG13 ILE A 12 16.395 -13.854 -27.704 1.00 15.22 H new ATOM 0 HG21 ILE A 12 12.863 -13.284 -28.780 1.00 53.44 H new ATOM 0 HG22 ILE A 12 12.413 -12.356 -27.329 1.00 53.44 H new ATOM 0 HG23 ILE A 12 13.515 -11.646 -28.533 1.00 53.44 H new ATOM 0 HD11 ILE A 12 15.979 -14.796 -29.923 1.00 61.41 H new ATOM 0 HD12 ILE A 12 14.864 -15.498 -28.727 1.00 61.41 H new ATOM 0 HD13 ILE A 12 14.288 -14.246 -29.853 1.00 61.41 H new ATOM 172 N ALA A 13 13.665 -12.701 -24.231 1.00 62.22 N ATOM 173 CA ALA A 13 12.633 -12.523 -23.217 1.00 44.32 C ATOM 174 C ALA A 13 13.094 -11.559 -22.129 1.00 52.42 C ATOM 175 O ALA A 13 13.485 -11.977 -21.039 1.00 14.44 O ATOM 176 CB ALA A 13 12.253 -13.865 -22.609 1.00 40.34 C ATOM 0 H ALA A 13 14.262 -13.515 -24.086 1.00 62.22 H new ATOM 0 HA ALA A 13 11.755 -12.093 -23.699 1.00 44.32 H new ATOM 0 HB1 ALA A 13 11.481 -13.717 -21.853 1.00 40.34 H new ATOM 0 HB2 ALA A 13 11.874 -14.524 -23.390 1.00 40.34 H new ATOM 0 HB3 ALA A 13 13.131 -14.317 -22.147 1.00 40.34 H new ATOM 182 N THR A 14 13.046 -10.265 -22.432 1.00 42.02 N ATOM 183 CA THR A 14 13.460 -9.241 -21.481 1.00 22.41 C ATOM 184 C THR A 14 12.510 -9.180 -20.291 1.00 33.33 C ATOM 185 O THR A 14 11.576 -9.975 -20.189 1.00 34.43 O ATOM 186 CB THR A 14 13.525 -7.852 -22.143 1.00 62.23 C ATOM 187 OG1 THR A 14 12.222 -7.460 -22.589 1.00 30.51 O ATOM 188 CG2 THR A 14 14.489 -7.859 -23.321 1.00 14.44 C ATOM 0 H THR A 14 12.724 -9.902 -23.329 1.00 42.02 H new ATOM 0 HA THR A 14 14.456 -9.517 -21.134 1.00 22.41 H new ATOM 0 HB THR A 14 13.885 -7.137 -21.403 1.00 62.23 H new ATOM 0 HG1 THR A 14 11.993 -6.588 -22.205 1.00 30.51 H new ATOM 0 HG21 THR A 14 14.519 -6.868 -23.773 1.00 14.44 H new ATOM 0 HG22 THR A 14 15.486 -8.129 -22.974 1.00 14.44 H new ATOM 0 HG23 THR A 14 14.154 -8.585 -24.061 1.00 14.44 H new ATOM 196 N SER A 15 12.753 -8.231 -19.393 1.00 25.13 N ATOM 197 CA SER A 15 11.920 -8.068 -18.207 1.00 63.31 C ATOM 198 C SER A 15 10.836 -7.022 -18.445 1.00 13.03 C ATOM 199 O SER A 15 10.509 -6.235 -17.555 1.00 72.42 O ATOM 200 CB SER A 15 12.778 -7.666 -17.006 1.00 65.21 C ATOM 201 OG SER A 15 13.299 -6.358 -17.166 1.00 54.22 O ATOM 0 H SER A 15 13.520 -7.563 -19.464 1.00 25.13 H new ATOM 0 HA SER A 15 11.439 -9.023 -17.997 1.00 63.31 H new ATOM 0 HB2 SER A 15 12.180 -7.714 -16.096 1.00 65.21 H new ATOM 0 HB3 SER A 15 13.597 -8.375 -16.887 1.00 65.21 H new ATOM 0 HG SER A 15 12.562 -5.713 -17.191 1.00 54.22 H new ATOM 207 N THR A 16 10.280 -7.018 -19.653 1.00 22.34 N ATOM 208 CA THR A 16 9.233 -6.069 -20.010 1.00 25.05 C ATOM 209 C THR A 16 7.880 -6.761 -20.127 1.00 64.12 C ATOM 210 O THR A 16 6.854 -6.212 -19.726 1.00 70.14 O ATOM 211 CB THR A 16 9.550 -5.357 -21.338 1.00 43.30 C ATOM 212 OG1 THR A 16 10.967 -5.293 -21.534 1.00 3.21 O ATOM 213 CG2 THR A 16 8.968 -3.952 -21.351 1.00 55.41 C ATOM 0 H THR A 16 10.538 -7.662 -20.401 1.00 22.34 H new ATOM 0 HA THR A 16 9.191 -5.329 -19.211 1.00 25.05 H new ATOM 0 HB THR A 16 9.097 -5.929 -22.148 1.00 43.30 H new ATOM 0 HG1 THR A 16 11.160 -4.840 -22.382 1.00 3.21 H new ATOM 0 HG21 THR A 16 9.205 -3.469 -22.299 1.00 55.41 H new ATOM 0 HG22 THR A 16 7.886 -4.005 -21.231 1.00 55.41 H new ATOM 0 HG23 THR A 16 9.396 -3.373 -20.532 1.00 55.41 H new ATOM 221 N VAL A 17 7.885 -7.970 -20.679 1.00 64.50 N ATOM 222 CA VAL A 17 6.658 -8.739 -20.848 1.00 12.13 C ATOM 223 C VAL A 17 5.925 -8.902 -19.521 1.00 21.31 C ATOM 224 O VAL A 17 4.698 -8.822 -19.463 1.00 31.31 O ATOM 225 CB VAL A 17 6.945 -10.132 -21.438 1.00 74.22 C ATOM 226 CG1 VAL A 17 5.663 -10.947 -21.532 1.00 4.25 C ATOM 227 CG2 VAL A 17 7.607 -10.006 -22.802 1.00 74.41 C ATOM 0 H VAL A 17 8.726 -8.438 -21.017 1.00 64.50 H new ATOM 0 HA VAL A 17 6.028 -8.182 -21.542 1.00 12.13 H new ATOM 0 HB VAL A 17 7.632 -10.655 -20.773 1.00 74.22 H new ATOM 0 HG11 VAL A 17 5.886 -11.928 -21.951 1.00 4.25 H new ATOM 0 HG12 VAL A 17 5.234 -11.066 -20.537 1.00 4.25 H new ATOM 0 HG13 VAL A 17 4.950 -10.431 -22.175 1.00 4.25 H new ATOM 0 HG21 VAL A 17 7.803 -11.000 -23.205 1.00 74.41 H new ATOM 0 HG22 VAL A 17 6.946 -9.464 -23.479 1.00 74.41 H new ATOM 0 HG23 VAL A 17 8.547 -9.464 -22.701 1.00 74.41 H new ATOM 237 N VAL A 18 6.686 -9.131 -18.455 1.00 71.52 N ATOM 238 CA VAL A 18 6.109 -9.305 -17.127 1.00 44.32 C ATOM 239 C VAL A 18 5.325 -8.068 -16.703 1.00 22.00 C ATOM 240 O VAL A 18 4.111 -8.125 -16.514 1.00 70.31 O ATOM 241 CB VAL A 18 7.198 -9.594 -16.076 1.00 74.54 C ATOM 242 CG1 VAL A 18 6.567 -9.985 -14.748 1.00 62.04 C ATOM 243 CG2 VAL A 18 8.138 -10.683 -16.570 1.00 70.53 C ATOM 0 H VAL A 18 7.703 -9.200 -18.485 1.00 71.52 H new ATOM 0 HA VAL A 18 5.433 -10.158 -17.184 1.00 44.32 H new ATOM 0 HB VAL A 18 7.780 -8.686 -15.921 1.00 74.54 H new ATOM 0 HG11 VAL A 18 7.351 -10.185 -14.018 1.00 62.04 H new ATOM 0 HG12 VAL A 18 5.938 -9.170 -14.390 1.00 62.04 H new ATOM 0 HG13 VAL A 18 5.960 -10.880 -14.883 1.00 62.04 H new ATOM 0 HG21 VAL A 18 8.901 -10.875 -15.816 1.00 70.53 H new ATOM 0 HG22 VAL A 18 7.572 -11.596 -16.754 1.00 70.53 H new ATOM 0 HG23 VAL A 18 8.615 -10.360 -17.495 1.00 70.53 H new ATOM 253 N ASN A 19 6.028 -6.950 -16.555 1.00 45.14 N ATOM 254 CA ASN A 19 5.398 -5.698 -16.153 1.00 51.12 C ATOM 255 C ASN A 19 4.290 -5.309 -17.127 1.00 71.33 C ATOM 256 O ASN A 19 3.197 -4.922 -16.717 1.00 74.51 O ATOM 257 CB ASN A 19 6.440 -4.580 -16.076 1.00 14.12 C ATOM 258 CG ASN A 19 5.808 -3.202 -16.047 1.00 15.31 C ATOM 259 OD1 ASN A 19 4.878 -2.949 -15.281 1.00 12.05 O ATOM 260 ND2 ASN A 19 6.311 -2.303 -16.885 1.00 14.42 N ATOM 0 H ASN A 19 7.034 -6.886 -16.707 1.00 45.14 H new ATOM 0 HA ASN A 19 4.957 -5.843 -15.167 1.00 51.12 H new ATOM 0 HB2 ASN A 19 7.050 -4.716 -15.183 1.00 14.12 H new ATOM 0 HB3 ASN A 19 7.110 -4.652 -16.933 1.00 14.12 H new ATOM 0 HD21 ASN A 19 5.926 -1.359 -16.911 1.00 14.42 H new ATOM 0 HD22 ASN A 19 7.082 -2.557 -17.502 1.00 14.42 H new ATOM 267 N ASN A 20 4.581 -5.416 -18.420 1.00 4.03 N ATOM 268 CA ASN A 20 3.610 -5.076 -19.453 1.00 0.11 C ATOM 269 C ASN A 20 2.291 -5.807 -19.221 1.00 50.31 C ATOM 270 O ASN A 20 1.226 -5.323 -19.604 1.00 61.11 O ATOM 271 CB ASN A 20 4.163 -5.424 -20.836 1.00 73.34 C ATOM 272 CG ASN A 20 4.966 -4.289 -21.441 1.00 55.31 C ATOM 273 OD1 ASN A 20 4.709 -3.863 -22.567 1.00 74.03 O ATOM 274 ND2 ASN A 20 5.944 -3.792 -20.693 1.00 63.52 N ATOM 0 H ASN A 20 5.482 -5.736 -18.777 1.00 4.03 H new ATOM 0 HA ASN A 20 3.424 -4.003 -19.403 1.00 0.11 H new ATOM 0 HB2 ASN A 20 4.793 -6.310 -20.760 1.00 73.34 H new ATOM 0 HB3 ASN A 20 3.337 -5.676 -21.501 1.00 73.34 H new ATOM 0 HD21 ASN A 20 6.518 -3.026 -21.046 1.00 63.52 H new ATOM 0 HD22 ASN A 20 6.122 -4.176 -19.765 1.00 63.52 H new ATOM 281 N ALA A 21 2.370 -6.974 -18.591 1.00 64.11 N ATOM 282 CA ALA A 21 1.183 -7.770 -18.306 1.00 24.44 C ATOM 283 C ALA A 21 0.634 -7.459 -16.918 1.00 21.04 C ATOM 284 O ALA A 21 -0.520 -7.055 -16.773 1.00 32.41 O ATOM 285 CB ALA A 21 1.500 -9.253 -18.429 1.00 64.45 C ATOM 0 H ALA A 21 3.244 -7.389 -18.268 1.00 64.11 H new ATOM 0 HA ALA A 21 0.418 -7.511 -19.038 1.00 24.44 H new ATOM 0 HB1 ALA A 21 0.604 -9.836 -18.213 1.00 64.45 H new ATOM 0 HB2 ALA A 21 1.839 -9.470 -19.442 1.00 64.45 H new ATOM 0 HB3 ALA A 21 2.284 -9.517 -17.720 1.00 64.45 H new ATOM 291 N ILE A 22 1.467 -7.650 -15.900 1.00 43.33 N ATOM 292 CA ILE A 22 1.064 -7.389 -14.524 1.00 42.51 C ATOM 293 C ILE A 22 0.451 -5.999 -14.385 1.00 72.32 C ATOM 294 O ILE A 22 -0.428 -5.779 -13.552 1.00 63.03 O ATOM 295 CB ILE A 22 2.256 -7.511 -13.556 1.00 15.43 C ATOM 296 CG1 ILE A 22 2.860 -8.914 -13.631 1.00 20.24 C ATOM 297 CG2 ILE A 22 1.817 -7.192 -12.134 1.00 43.11 C ATOM 298 CD1 ILE A 22 1.880 -10.013 -13.287 1.00 35.53 C ATOM 0 H ILE A 22 2.425 -7.985 -16.003 1.00 43.33 H new ATOM 0 HA ILE A 22 0.318 -8.140 -14.266 1.00 42.51 H new ATOM 0 HB ILE A 22 3.020 -6.791 -13.850 1.00 15.43 H new ATOM 0 HG12 ILE A 22 3.244 -9.082 -14.637 1.00 20.24 H new ATOM 0 HG13 ILE A 22 3.711 -8.971 -12.952 1.00 20.24 H new ATOM 0 HG21 ILE A 22 2.670 -7.282 -11.461 1.00 43.11 H new ATOM 0 HG22 ILE A 22 1.428 -6.174 -12.093 1.00 43.11 H new ATOM 0 HG23 ILE A 22 1.038 -7.891 -11.828 1.00 43.11 H new ATOM 0 HD11 ILE A 22 2.377 -10.980 -13.361 1.00 35.53 H new ATOM 0 HD12 ILE A 22 1.515 -9.870 -12.270 1.00 35.53 H new ATOM 0 HD13 ILE A 22 1.041 -9.982 -13.982 1.00 35.53 H new ATOM 310 N GLU A 23 0.919 -5.066 -15.208 1.00 64.42 N ATOM 311 CA GLU A 23 0.416 -3.698 -15.177 1.00 75.42 C ATOM 312 C GLU A 23 -1.068 -3.657 -15.531 1.00 34.02 C ATOM 313 O GLU A 23 -1.832 -2.884 -14.954 1.00 54.44 O ATOM 314 CB GLU A 23 1.207 -2.818 -16.147 1.00 13.24 C ATOM 315 CG GLU A 23 1.038 -3.213 -17.604 1.00 52.20 C ATOM 316 CD GLU A 23 -0.014 -2.384 -18.315 1.00 51.20 C ATOM 317 OE1 GLU A 23 -1.045 -2.957 -18.725 1.00 10.13 O ATOM 318 OE2 GLU A 23 0.194 -1.161 -18.461 1.00 62.03 O ATOM 0 H GLU A 23 1.646 -5.233 -15.904 1.00 64.42 H new ATOM 0 HA GLU A 23 0.542 -3.314 -14.165 1.00 75.42 H new ATOM 0 HB2 GLU A 23 0.894 -1.782 -16.022 1.00 13.24 H new ATOM 0 HB3 GLU A 23 2.264 -2.865 -15.887 1.00 13.24 H new ATOM 0 HG2 GLU A 23 1.992 -3.102 -18.120 1.00 52.20 H new ATOM 0 HG3 GLU A 23 0.765 -4.267 -17.662 1.00 52.20 H new ATOM 325 N GLU A 24 -1.468 -4.495 -16.483 1.00 4.23 N ATOM 326 CA GLU A 24 -2.859 -4.553 -16.914 1.00 13.40 C ATOM 327 C GLU A 24 -3.715 -5.295 -15.892 1.00 13.12 C ATOM 328 O GLU A 24 -4.903 -5.013 -15.740 1.00 14.44 O ATOM 329 CB GLU A 24 -2.966 -5.238 -18.278 1.00 44.41 C ATOM 330 CG GLU A 24 -3.284 -6.721 -18.191 1.00 40.22 C ATOM 331 CD GLU A 24 -2.974 -7.460 -19.478 1.00 64.50 C ATOM 332 OE1 GLU A 24 -1.814 -7.394 -19.936 1.00 51.24 O ATOM 333 OE2 GLU A 24 -3.891 -8.106 -20.026 1.00 72.44 O ATOM 0 H GLU A 24 -0.848 -5.142 -16.970 1.00 4.23 H new ATOM 0 HA GLU A 24 -3.229 -3.531 -16.999 1.00 13.40 H new ATOM 0 HB2 GLU A 24 -3.740 -4.743 -18.864 1.00 44.41 H new ATOM 0 HB3 GLU A 24 -2.027 -5.107 -18.815 1.00 44.41 H new ATOM 0 HG2 GLU A 24 -2.713 -7.164 -17.375 1.00 40.22 H new ATOM 0 HG3 GLU A 24 -4.339 -6.849 -17.948 1.00 40.22 H new ATOM 340 N MET A 25 -3.102 -6.246 -15.194 1.00 53.33 N ATOM 341 CA MET A 25 -3.808 -7.029 -14.186 1.00 45.51 C ATOM 342 C MET A 25 -4.000 -6.220 -12.907 1.00 23.43 C ATOM 343 O MET A 25 -5.125 -6.022 -12.450 1.00 71.10 O ATOM 344 CB MET A 25 -3.039 -8.316 -13.880 1.00 14.44 C ATOM 345 CG MET A 25 -2.838 -9.207 -15.094 1.00 74.22 C ATOM 346 SD MET A 25 -1.615 -10.501 -14.811 1.00 71.22 S ATOM 347 CE MET A 25 -1.200 -10.949 -16.495 1.00 74.30 C ATOM 0 H MET A 25 -2.119 -6.493 -15.308 1.00 53.33 H new ATOM 0 HA MET A 25 -4.790 -7.287 -14.582 1.00 45.51 H new ATOM 0 HB2 MET A 25 -2.065 -8.057 -13.464 1.00 14.44 H new ATOM 0 HB3 MET A 25 -3.575 -8.876 -13.113 1.00 14.44 H new ATOM 0 HG2 MET A 25 -3.789 -9.665 -15.365 1.00 74.22 H new ATOM 0 HG3 MET A 25 -2.525 -8.596 -15.941 1.00 74.22 H new ATOM 0 HE1 MET A 25 -1.414 -12.006 -16.654 1.00 74.30 H new ATOM 0 HE2 MET A 25 -1.793 -10.351 -17.187 1.00 74.30 H new ATOM 0 HE3 MET A 25 -0.140 -10.763 -16.670 1.00 74.30 H new ATOM 357 N ALA A 26 -2.894 -5.757 -12.333 1.00 51.33 N ATOM 358 CA ALA A 26 -2.942 -4.969 -11.108 1.00 2.02 C ATOM 359 C ALA A 26 -3.930 -3.814 -11.236 1.00 23.45 C ATOM 360 O ALA A 26 -4.595 -3.443 -10.268 1.00 41.45 O ATOM 361 CB ALA A 26 -1.556 -4.444 -10.763 1.00 62.52 C ATOM 0 H ALA A 26 -1.954 -5.914 -12.697 1.00 51.33 H new ATOM 0 HA ALA A 26 -3.284 -5.618 -10.302 1.00 2.02 H new ATOM 0 HB1 ALA A 26 -1.607 -3.857 -9.846 1.00 62.52 H new ATOM 0 HB2 ALA A 26 -0.875 -5.283 -10.620 1.00 62.52 H new ATOM 0 HB3 ALA A 26 -1.192 -3.816 -11.576 1.00 62.52 H new ATOM 367 N LYS A 27 -4.021 -3.250 -12.435 1.00 4.42 N ATOM 368 CA LYS A 27 -4.928 -2.137 -12.690 1.00 43.13 C ATOM 369 C LYS A 27 -6.382 -2.578 -12.555 1.00 25.04 C ATOM 370 O LYS A 27 -7.202 -1.870 -11.972 1.00 51.34 O ATOM 371 CB LYS A 27 -4.685 -1.565 -14.089 1.00 74.51 C ATOM 372 CG LYS A 27 -3.519 -0.595 -14.156 1.00 63.21 C ATOM 373 CD LYS A 27 -3.244 -0.151 -15.583 1.00 61.31 C ATOM 374 CE LYS A 27 -2.120 0.872 -15.642 1.00 13.22 C ATOM 375 NZ LYS A 27 -1.704 1.159 -17.042 1.00 51.35 N ATOM 0 H LYS A 27 -3.478 -3.545 -13.246 1.00 4.42 H new ATOM 0 HA LYS A 27 -4.731 -1.363 -11.948 1.00 43.13 H new ATOM 0 HB2 LYS A 27 -4.503 -2.387 -14.782 1.00 74.51 H new ATOM 0 HB3 LYS A 27 -5.589 -1.058 -14.427 1.00 74.51 H new ATOM 0 HG2 LYS A 27 -3.734 0.277 -13.538 1.00 63.21 H new ATOM 0 HG3 LYS A 27 -2.628 -1.067 -13.743 1.00 63.21 H new ATOM 0 HD2 LYS A 27 -2.981 -1.017 -16.190 1.00 61.31 H new ATOM 0 HD3 LYS A 27 -4.150 0.277 -16.013 1.00 61.31 H new ATOM 0 HE2 LYS A 27 -2.444 1.796 -15.163 1.00 13.22 H new ATOM 0 HE3 LYS A 27 -1.264 0.504 -15.077 1.00 13.22 H new ATOM 0 HZ1 LYS A 27 -1.159 2.044 -17.068 1.00 51.35 H new ATOM 0 HZ2 LYS A 27 -1.114 0.379 -17.396 1.00 51.35 H new ATOM 0 HZ3 LYS A 27 -2.548 1.255 -17.642 1.00 51.35 H new ATOM 389 N GLU A 28 -6.692 -3.752 -13.095 1.00 21.43 N ATOM 390 CA GLU A 28 -8.047 -4.287 -13.032 1.00 52.14 C ATOM 391 C GLU A 28 -8.476 -4.515 -11.586 1.00 12.32 C ATOM 392 O GLU A 28 -9.625 -4.265 -11.220 1.00 74.05 O ATOM 393 CB GLU A 28 -8.139 -5.598 -13.816 1.00 23.14 C ATOM 394 CG GLU A 28 -9.562 -6.095 -14.006 1.00 62.14 C ATOM 395 CD GLU A 28 -9.716 -6.963 -15.240 1.00 53.44 C ATOM 396 OE1 GLU A 28 -8.948 -7.937 -15.380 1.00 25.02 O ATOM 397 OE2 GLU A 28 -10.605 -6.667 -16.066 1.00 60.54 O ATOM 0 H GLU A 28 -6.024 -4.351 -13.581 1.00 21.43 H new ATOM 0 HA GLU A 28 -8.719 -3.556 -13.481 1.00 52.14 H new ATOM 0 HB2 GLU A 28 -7.678 -5.460 -14.794 1.00 23.14 H new ATOM 0 HB3 GLU A 28 -7.562 -6.363 -13.297 1.00 23.14 H new ATOM 0 HG2 GLU A 28 -9.865 -6.663 -13.126 1.00 62.14 H new ATOM 0 HG3 GLU A 28 -10.235 -5.241 -14.081 1.00 62.14 H new ATOM 404 N HIS A 29 -7.544 -4.991 -10.766 1.00 72.34 N ATOM 405 CA HIS A 29 -7.825 -5.253 -9.359 1.00 61.42 C ATOM 406 C HIS A 29 -7.927 -3.949 -8.574 1.00 25.55 C ATOM 407 O HIS A 29 -8.612 -3.880 -7.554 1.00 42.23 O ATOM 408 CB HIS A 29 -6.736 -6.142 -8.757 1.00 40.20 C ATOM 409 CG HIS A 29 -6.713 -7.528 -9.323 1.00 61.22 C ATOM 410 ND1 HIS A 29 -7.625 -8.501 -8.970 1.00 44.40 N ATOM 411 CD2 HIS A 29 -5.882 -8.103 -10.224 1.00 52.22 C ATOM 412 CE1 HIS A 29 -7.355 -9.614 -9.628 1.00 4.20 C ATOM 413 NE2 HIS A 29 -6.302 -9.399 -10.396 1.00 41.14 N ATOM 0 H HIS A 29 -6.588 -5.203 -11.052 1.00 72.34 H new ATOM 0 HA HIS A 29 -8.782 -5.771 -9.295 1.00 61.42 H new ATOM 0 HB2 HIS A 29 -5.765 -5.675 -8.922 1.00 40.20 H new ATOM 0 HB3 HIS A 29 -6.882 -6.201 -7.678 1.00 40.20 H new ATOM 0 HD2 HIS A 29 -5.045 -7.630 -10.716 1.00 52.22 H new ATOM 0 HE1 HIS A 29 -7.902 -10.542 -9.551 1.00 4.20 H new ATOM 0 HE2 HIS A 29 -5.871 -10.084 -11.016 1.00 41.14 H new ATOM 421 N ASN A 30 -7.239 -2.919 -9.055 1.00 1.01 N ATOM 422 CA ASN A 30 -7.251 -1.618 -8.397 1.00 1.34 C ATOM 423 C ASN A 30 -6.587 -1.696 -7.025 1.00 52.21 C ATOM 424 O ASN A 30 -7.081 -1.126 -6.052 1.00 14.40 O ATOM 425 CB ASN A 30 -8.687 -1.109 -8.253 1.00 4.14 C ATOM 426 CG ASN A 30 -9.507 -1.331 -9.508 1.00 53.24 C ATOM 427 OD1 ASN A 30 -9.241 -0.733 -10.551 1.00 65.43 O ATOM 428 ND2 ASN A 30 -10.512 -2.193 -9.413 1.00 75.44 N ATOM 0 H ASN A 30 -6.666 -2.960 -9.898 1.00 1.01 H new ATOM 0 HA ASN A 30 -6.686 -0.921 -9.015 1.00 1.34 H new ATOM 0 HB2 ASN A 30 -9.166 -1.615 -7.415 1.00 4.14 H new ATOM 0 HB3 ASN A 30 -8.671 -0.045 -8.016 1.00 4.14 H new ATOM 0 HD21 ASN A 30 -11.100 -2.382 -10.225 1.00 75.44 H new ATOM 0 HD22 ASN A 30 -10.696 -2.666 -8.528 1.00 75.44 H new ATOM 435 N ILE A 31 -5.465 -2.405 -6.956 1.00 55.42 N ATOM 436 CA ILE A 31 -4.733 -2.556 -5.705 1.00 14.42 C ATOM 437 C ILE A 31 -3.543 -1.605 -5.646 1.00 43.24 C ATOM 438 O ILE A 31 -2.955 -1.264 -6.673 1.00 41.21 O ATOM 439 CB ILE A 31 -4.233 -4.000 -5.516 1.00 44.33 C ATOM 440 CG1 ILE A 31 -5.378 -4.992 -5.730 1.00 43.20 C ATOM 441 CG2 ILE A 31 -3.626 -4.173 -4.132 1.00 65.32 C ATOM 442 CD1 ILE A 31 -4.932 -6.437 -5.733 1.00 72.33 C ATOM 0 H ILE A 31 -5.043 -2.884 -7.752 1.00 55.42 H new ATOM 0 HA ILE A 31 -5.428 -2.313 -4.901 1.00 14.42 H new ATOM 0 HB ILE A 31 -3.460 -4.201 -6.258 1.00 44.33 H new ATOM 0 HG12 ILE A 31 -6.121 -4.851 -4.945 1.00 43.20 H new ATOM 0 HG13 ILE A 31 -5.869 -4.770 -6.678 1.00 43.20 H new ATOM 0 HG21 ILE A 31 -3.277 -5.199 -4.013 1.00 65.32 H new ATOM 0 HG22 ILE A 31 -2.786 -3.488 -4.015 1.00 65.32 H new ATOM 0 HG23 ILE A 31 -4.379 -3.956 -3.375 1.00 65.32 H new ATOM 0 HD11 ILE A 31 -5.795 -7.084 -5.890 1.00 72.33 H new ATOM 0 HD12 ILE A 31 -4.211 -6.594 -6.535 1.00 72.33 H new ATOM 0 HD13 ILE A 31 -4.468 -6.677 -4.776 1.00 72.33 H new ATOM 454 N LYS A 32 -3.190 -1.181 -4.438 1.00 11.35 N ATOM 455 CA LYS A 32 -2.067 -0.271 -4.243 1.00 31.44 C ATOM 456 C LYS A 32 -0.739 -1.010 -4.378 1.00 53.30 C ATOM 457 O LYS A 32 -0.004 -1.169 -3.404 1.00 20.33 O ATOM 458 CB LYS A 32 -2.155 0.393 -2.867 1.00 12.22 C ATOM 459 CG LYS A 32 -1.483 1.754 -2.804 1.00 62.43 C ATOM 460 CD LYS A 32 -1.212 2.176 -1.370 1.00 44.22 C ATOM 461 CE LYS A 32 -2.477 2.668 -0.685 1.00 74.12 C ATOM 462 NZ LYS A 32 -2.717 4.116 -0.935 1.00 42.34 N ATOM 0 H LYS A 32 -3.666 -1.453 -3.578 1.00 11.35 H new ATOM 0 HA LYS A 32 -2.116 0.498 -5.014 1.00 31.44 H new ATOM 0 HB2 LYS A 32 -3.204 0.502 -2.592 1.00 12.22 H new ATOM 0 HB3 LYS A 32 -1.698 -0.263 -2.126 1.00 12.22 H new ATOM 0 HG2 LYS A 32 -0.545 1.724 -3.359 1.00 62.43 H new ATOM 0 HG3 LYS A 32 -2.117 2.496 -3.289 1.00 62.43 H new ATOM 0 HD2 LYS A 32 -0.800 1.334 -0.814 1.00 44.22 H new ATOM 0 HD3 LYS A 32 -0.460 2.965 -1.358 1.00 44.22 H new ATOM 0 HE2 LYS A 32 -3.331 2.092 -1.042 1.00 74.12 H new ATOM 0 HE3 LYS A 32 -2.400 2.493 0.388 1.00 74.12 H new ATOM 0 HZ1 LYS A 32 -3.589 4.412 -0.451 1.00 42.34 H new ATOM 0 HZ2 LYS A 32 -1.914 4.669 -0.572 1.00 42.34 H new ATOM 0 HZ3 LYS A 32 -2.816 4.280 -1.957 1.00 42.34 H new ATOM 476 N VAL A 33 -0.437 -1.457 -5.593 1.00 34.32 N ATOM 477 CA VAL A 33 0.803 -2.176 -5.856 1.00 63.51 C ATOM 478 C VAL A 33 1.530 -1.594 -7.063 1.00 23.40 C ATOM 479 O VAL A 33 0.948 -1.440 -8.137 1.00 31.43 O ATOM 480 CB VAL A 33 0.543 -3.675 -6.101 1.00 55.40 C ATOM 481 CG1 VAL A 33 -0.412 -3.866 -7.269 1.00 75.53 C ATOM 482 CG2 VAL A 33 1.852 -4.410 -6.346 1.00 14.25 C ATOM 0 H VAL A 33 -1.034 -1.334 -6.410 1.00 34.32 H new ATOM 0 HA VAL A 33 1.427 -2.064 -4.970 1.00 63.51 H new ATOM 0 HB VAL A 33 0.078 -4.096 -5.210 1.00 55.40 H new ATOM 0 HG11 VAL A 33 -0.584 -4.931 -7.428 1.00 75.53 H new ATOM 0 HG12 VAL A 33 -1.359 -3.374 -7.049 1.00 75.53 H new ATOM 0 HG13 VAL A 33 0.022 -3.431 -8.169 1.00 75.53 H new ATOM 0 HG21 VAL A 33 1.649 -5.467 -6.517 1.00 14.25 H new ATOM 0 HG22 VAL A 33 2.347 -3.989 -7.221 1.00 14.25 H new ATOM 0 HG23 VAL A 33 2.499 -4.301 -5.476 1.00 14.25 H new ATOM 492 N ASP A 34 2.806 -1.273 -6.880 1.00 22.04 N ATOM 493 CA ASP A 34 3.615 -0.709 -7.954 1.00 53.12 C ATOM 494 C ASP A 34 4.421 -1.797 -8.656 1.00 70.12 C ATOM 495 O ASP A 34 4.651 -2.870 -8.098 1.00 23.21 O ATOM 496 CB ASP A 34 4.555 0.365 -7.404 1.00 54.02 C ATOM 497 CG ASP A 34 4.948 1.384 -8.456 1.00 23.42 C ATOM 498 OD1 ASP A 34 5.787 2.257 -8.151 1.00 21.32 O ATOM 499 OD2 ASP A 34 4.417 1.308 -9.584 1.00 11.13 O ATOM 0 H ASP A 34 3.303 -1.394 -5.997 1.00 22.04 H new ATOM 0 HA ASP A 34 2.942 -0.254 -8.681 1.00 53.12 H new ATOM 0 HB2 ASP A 34 4.071 0.875 -6.571 1.00 54.02 H new ATOM 0 HB3 ASP A 34 5.453 -0.110 -7.009 1.00 54.02 H new ATOM 504 N ILE A 35 4.846 -1.513 -9.883 1.00 30.23 N ATOM 505 CA ILE A 35 5.626 -2.468 -10.660 1.00 42.33 C ATOM 506 C ILE A 35 6.966 -1.872 -11.078 1.00 41.42 C ATOM 507 O ILE A 35 7.038 -0.722 -11.513 1.00 4.11 O ATOM 508 CB ILE A 35 4.865 -2.924 -11.919 1.00 41.01 C ATOM 509 CG1 ILE A 35 3.497 -3.493 -11.536 1.00 43.15 C ATOM 510 CG2 ILE A 35 5.679 -3.956 -12.685 1.00 31.41 C ATOM 511 CD1 ILE A 35 2.637 -3.851 -12.728 1.00 51.30 C ATOM 0 H ILE A 35 4.663 -0.630 -10.360 1.00 30.23 H new ATOM 0 HA ILE A 35 5.799 -3.331 -10.017 1.00 42.33 H new ATOM 0 HB ILE A 35 4.710 -2.060 -12.565 1.00 41.01 H new ATOM 0 HG12 ILE A 35 3.641 -4.382 -10.922 1.00 43.15 H new ATOM 0 HG13 ILE A 35 2.968 -2.764 -10.922 1.00 43.15 H new ATOM 0 HG21 ILE A 35 5.128 -4.269 -13.572 1.00 31.41 H new ATOM 0 HG22 ILE A 35 6.631 -3.519 -12.985 1.00 31.41 H new ATOM 0 HG23 ILE A 35 5.862 -4.821 -12.048 1.00 31.41 H new ATOM 0 HD11 ILE A 35 1.683 -4.248 -12.382 1.00 51.30 H new ATOM 0 HD12 ILE A 35 2.462 -2.960 -13.331 1.00 51.30 H new ATOM 0 HD13 ILE A 35 3.146 -4.603 -13.331 1.00 51.30 H new ATOM 523 N LYS A 36 8.026 -2.662 -10.945 1.00 41.44 N ATOM 524 CA LYS A 36 9.365 -2.215 -11.312 1.00 12.33 C ATOM 525 C LYS A 36 10.173 -3.357 -11.919 1.00 34.22 C ATOM 526 O LYS A 36 9.748 -4.512 -11.892 1.00 14.21 O ATOM 527 CB LYS A 36 10.092 -1.657 -10.086 1.00 12.10 C ATOM 528 CG LYS A 36 10.811 -0.345 -10.350 1.00 30.40 C ATOM 529 CD LYS A 36 11.658 0.075 -9.161 1.00 11.34 C ATOM 530 CE LYS A 36 10.831 0.820 -8.124 1.00 4.25 C ATOM 531 NZ LYS A 36 10.313 2.113 -8.651 1.00 60.53 N ATOM 0 H LYS A 36 7.984 -3.616 -10.586 1.00 41.44 H new ATOM 0 HA LYS A 36 9.266 -1.427 -12.059 1.00 12.33 H new ATOM 0 HB2 LYS A 36 9.371 -1.511 -9.282 1.00 12.10 H new ATOM 0 HB3 LYS A 36 10.815 -2.394 -9.736 1.00 12.10 H new ATOM 0 HG2 LYS A 36 11.444 -0.447 -11.231 1.00 30.40 H new ATOM 0 HG3 LYS A 36 10.081 0.433 -10.571 1.00 30.40 H new ATOM 0 HD2 LYS A 36 12.108 -0.806 -8.704 1.00 11.34 H new ATOM 0 HD3 LYS A 36 12.475 0.711 -9.501 1.00 11.34 H new ATOM 0 HE2 LYS A 36 9.995 0.195 -7.809 1.00 4.25 H new ATOM 0 HE3 LYS A 36 11.440 1.006 -7.240 1.00 4.25 H new ATOM 0 HZ1 LYS A 36 10.106 2.753 -7.858 1.00 60.53 H new ATOM 0 HZ2 LYS A 36 11.028 2.547 -9.269 1.00 60.53 H new ATOM 0 HZ3 LYS A 36 9.443 1.943 -9.195 1.00 60.53 H new ATOM 545 N GLN A 37 11.339 -3.027 -12.464 1.00 10.11 N ATOM 546 CA GLN A 37 12.206 -4.027 -13.077 1.00 12.45 C ATOM 547 C GLN A 37 13.652 -3.543 -13.116 1.00 14.12 C ATOM 548 O GLN A 37 13.952 -2.502 -13.701 1.00 62.23 O ATOM 549 CB GLN A 37 11.725 -4.350 -14.492 1.00 62.32 C ATOM 550 CG GLN A 37 11.366 -3.120 -15.309 1.00 11.40 C ATOM 551 CD GLN A 37 11.467 -3.360 -16.802 1.00 73.43 C ATOM 552 OE1 GLN A 37 12.563 -3.473 -17.352 1.00 52.30 O ATOM 553 NE2 GLN A 37 10.321 -3.441 -17.468 1.00 34.21 N ATOM 0 H GLN A 37 11.705 -2.076 -12.494 1.00 10.11 H new ATOM 0 HA GLN A 37 12.161 -4.932 -12.471 1.00 12.45 H new ATOM 0 HB2 GLN A 37 12.504 -4.907 -15.013 1.00 62.32 H new ATOM 0 HB3 GLN A 37 10.854 -5.002 -14.430 1.00 62.32 H new ATOM 0 HG2 GLN A 37 10.351 -2.809 -15.063 1.00 11.40 H new ATOM 0 HG3 GLN A 37 12.027 -2.299 -15.032 1.00 11.40 H new ATOM 0 HE21 GLN A 37 9.435 -3.342 -16.972 1.00 34.21 H new ATOM 0 HE22 GLN A 37 10.327 -3.603 -18.475 1.00 34.21 H new ATOM 562 N ILE A 38 14.542 -4.304 -12.489 1.00 62.20 N ATOM 563 CA ILE A 38 15.956 -3.953 -12.453 1.00 44.14 C ATOM 564 C ILE A 38 16.834 -5.195 -12.561 1.00 62.15 C ATOM 565 O ILE A 38 16.335 -6.318 -12.630 1.00 74.35 O ATOM 566 CB ILE A 38 16.316 -3.195 -11.162 1.00 12.21 C ATOM 567 CG1 ILE A 38 16.557 -4.180 -10.017 1.00 21.35 C ATOM 568 CG2 ILE A 38 15.212 -2.213 -10.799 1.00 53.04 C ATOM 569 CD1 ILE A 38 15.401 -5.126 -9.780 1.00 31.51 C ATOM 0 H ILE A 38 14.309 -5.168 -11.999 1.00 62.20 H new ATOM 0 HA ILE A 38 16.141 -3.304 -13.309 1.00 44.14 H new ATOM 0 HB ILE A 38 17.234 -2.633 -11.332 1.00 12.21 H new ATOM 0 HG12 ILE A 38 17.454 -4.762 -10.232 1.00 21.35 H new ATOM 0 HG13 ILE A 38 16.751 -3.620 -9.102 1.00 21.35 H new ATOM 0 HG21 ILE A 38 15.481 -1.685 -9.884 1.00 53.04 H new ATOM 0 HG22 ILE A 38 15.084 -1.494 -11.608 1.00 53.04 H new ATOM 0 HG23 ILE A 38 14.279 -2.755 -10.644 1.00 53.04 H new ATOM 0 HD11 ILE A 38 15.642 -5.795 -8.954 1.00 31.51 H new ATOM 0 HD12 ILE A 38 14.507 -4.553 -9.534 1.00 31.51 H new ATOM 0 HD13 ILE A 38 15.220 -5.712 -10.681 1.00 31.51 H new ATOM 581 N LYS A 39 18.146 -4.986 -12.574 1.00 23.31 N ATOM 582 CA LYS A 39 19.096 -6.088 -12.670 1.00 61.41 C ATOM 583 C LYS A 39 19.651 -6.450 -11.296 1.00 44.41 C ATOM 584 O LYS A 39 19.534 -5.675 -10.346 1.00 21.20 O ATOM 585 CB LYS A 39 20.243 -5.720 -13.614 1.00 54.24 C ATOM 586 CG LYS A 39 20.455 -6.724 -14.734 1.00 24.12 C ATOM 587 CD LYS A 39 21.445 -6.208 -15.765 1.00 72.32 C ATOM 588 CE LYS A 39 21.764 -7.267 -16.809 1.00 62.05 C ATOM 589 NZ LYS A 39 20.688 -7.379 -17.833 1.00 20.54 N ATOM 0 H LYS A 39 18.576 -4.063 -12.519 1.00 23.31 H new ATOM 0 HA LYS A 39 18.569 -6.954 -13.069 1.00 61.41 H new ATOM 0 HB2 LYS A 39 20.045 -4.740 -14.048 1.00 54.24 H new ATOM 0 HB3 LYS A 39 21.164 -5.632 -13.037 1.00 54.24 H new ATOM 0 HG2 LYS A 39 20.818 -7.664 -14.318 1.00 24.12 H new ATOM 0 HG3 LYS A 39 19.502 -6.937 -15.218 1.00 24.12 H new ATOM 0 HD2 LYS A 39 21.035 -5.325 -16.255 1.00 72.32 H new ATOM 0 HD3 LYS A 39 22.364 -5.899 -15.266 1.00 72.32 H new ATOM 0 HE2 LYS A 39 22.707 -7.022 -17.298 1.00 62.05 H new ATOM 0 HE3 LYS A 39 21.900 -8.231 -16.319 1.00 62.05 H new ATOM 0 HZ1 LYS A 39 20.943 -8.111 -18.526 1.00 20.54 H new ATOM 0 HZ2 LYS A 39 19.793 -7.638 -17.370 1.00 20.54 H new ATOM 0 HZ3 LYS A 39 20.575 -6.467 -18.319 1.00 20.54 H new ATOM 603 N ILE A 40 20.257 -7.628 -11.199 1.00 33.51 N ATOM 604 CA ILE A 40 20.832 -8.090 -9.942 1.00 0.23 C ATOM 605 C ILE A 40 21.784 -7.051 -9.359 1.00 64.20 C ATOM 606 O ILE A 40 21.973 -6.977 -8.144 1.00 53.43 O ATOM 607 CB ILE A 40 21.589 -9.419 -10.123 1.00 35.01 C ATOM 608 CG1 ILE A 40 21.301 -10.359 -8.950 1.00 42.40 C ATOM 609 CG2 ILE A 40 23.083 -9.165 -10.251 1.00 50.32 C ATOM 610 CD1 ILE A 40 21.632 -9.760 -7.601 1.00 12.51 C ATOM 0 H ILE A 40 20.363 -8.280 -11.976 1.00 33.51 H new ATOM 0 HA ILE A 40 20.001 -8.246 -9.254 1.00 0.23 H new ATOM 0 HB ILE A 40 21.242 -9.896 -11.040 1.00 35.01 H new ATOM 0 HG12 ILE A 40 20.247 -10.636 -8.967 1.00 42.40 H new ATOM 0 HG13 ILE A 40 21.874 -11.277 -9.081 1.00 42.40 H new ATOM 0 HG21 ILE A 40 23.604 -10.114 -10.378 1.00 50.32 H new ATOM 0 HG22 ILE A 40 23.271 -8.529 -11.116 1.00 50.32 H new ATOM 0 HG23 ILE A 40 23.446 -8.670 -9.351 1.00 50.32 H new ATOM 0 HD11 ILE A 40 21.403 -10.481 -6.817 1.00 12.51 H new ATOM 0 HD12 ILE A 40 22.692 -9.509 -7.565 1.00 12.51 H new ATOM 0 HD13 ILE A 40 21.040 -8.858 -7.448 1.00 12.51 H new ATOM 622 N THR A 41 22.383 -6.248 -10.234 1.00 32.34 N ATOM 623 CA THR A 41 23.315 -5.213 -9.807 1.00 4.22 C ATOM 624 C THR A 41 22.576 -3.957 -9.361 1.00 53.40 C ATOM 625 O THR A 41 23.042 -3.229 -8.485 1.00 22.40 O ATOM 626 CB THR A 41 24.299 -4.843 -10.933 1.00 74.35 C ATOM 627 OG1 THR A 41 25.265 -3.902 -10.452 1.00 35.34 O ATOM 628 CG2 THR A 41 23.559 -4.254 -12.125 1.00 44.31 C ATOM 0 H THR A 41 22.239 -6.295 -11.243 1.00 32.34 H new ATOM 0 HA THR A 41 23.874 -5.620 -8.965 1.00 4.22 H new ATOM 0 HB THR A 41 24.808 -5.752 -11.253 1.00 74.35 H new ATOM 0 HG1 THR A 41 25.887 -3.674 -11.174 1.00 35.34 H new ATOM 0 HG21 THR A 41 24.274 -4.000 -12.908 1.00 44.31 H new ATOM 0 HG22 THR A 41 22.846 -4.984 -12.508 1.00 44.31 H new ATOM 0 HG23 THR A 41 23.026 -3.355 -11.815 1.00 44.31 H new ATOM 636 N GLU A 42 21.420 -3.709 -9.969 1.00 40.54 N ATOM 637 CA GLU A 42 20.617 -2.539 -9.634 1.00 15.13 C ATOM 638 C GLU A 42 19.541 -2.893 -8.611 1.00 2.05 C ATOM 639 O GLU A 42 18.487 -2.260 -8.557 1.00 74.12 O ATOM 640 CB GLU A 42 19.967 -1.960 -10.893 1.00 23.24 C ATOM 641 CG GLU A 42 20.899 -1.079 -11.708 1.00 12.34 C ATOM 642 CD GLU A 42 21.016 0.324 -11.144 1.00 51.10 C ATOM 643 OE1 GLU A 42 22.103 0.926 -11.274 1.00 34.04 O ATOM 644 OE2 GLU A 42 20.022 0.820 -10.574 1.00 31.13 O ATOM 0 H GLU A 42 21.019 -4.302 -10.695 1.00 40.54 H new ATOM 0 HA GLU A 42 21.278 -1.790 -9.198 1.00 15.13 H new ATOM 0 HB2 GLU A 42 19.615 -2.779 -11.520 1.00 23.24 H new ATOM 0 HB3 GLU A 42 19.091 -1.379 -10.605 1.00 23.24 H new ATOM 0 HG2 GLU A 42 21.888 -1.536 -11.743 1.00 12.34 H new ATOM 0 HG3 GLU A 42 20.537 -1.025 -12.735 1.00 12.34 H new ATOM 651 N VAL A 43 19.816 -3.910 -7.800 1.00 1.24 N ATOM 652 CA VAL A 43 18.874 -4.349 -6.777 1.00 53.24 C ATOM 653 C VAL A 43 19.500 -4.284 -5.389 1.00 33.32 C ATOM 654 O VAL A 43 19.057 -4.965 -4.465 1.00 10.15 O ATOM 655 CB VAL A 43 18.387 -5.786 -7.043 1.00 10.22 C ATOM 656 CG1 VAL A 43 19.467 -6.792 -6.677 1.00 5.02 C ATOM 657 CG2 VAL A 43 17.105 -6.064 -6.273 1.00 72.30 C ATOM 0 H VAL A 43 20.684 -4.445 -7.832 1.00 1.24 H new ATOM 0 HA VAL A 43 18.022 -3.671 -6.819 1.00 53.24 H new ATOM 0 HB VAL A 43 18.175 -5.888 -8.107 1.00 10.22 H new ATOM 0 HG11 VAL A 43 19.105 -7.802 -6.872 1.00 5.02 H new ATOM 0 HG12 VAL A 43 20.358 -6.604 -7.277 1.00 5.02 H new ATOM 0 HG13 VAL A 43 19.714 -6.693 -5.620 1.00 5.02 H new ATOM 0 HG21 VAL A 43 16.775 -7.083 -6.472 1.00 72.30 H new ATOM 0 HG22 VAL A 43 17.289 -5.944 -5.205 1.00 72.30 H new ATOM 0 HG23 VAL A 43 16.332 -5.364 -6.589 1.00 72.30 H new ATOM 667 N GLY A 44 20.533 -3.460 -5.249 1.00 45.21 N ATOM 668 CA GLY A 44 21.204 -3.321 -3.970 1.00 11.24 C ATOM 669 C GLY A 44 20.259 -2.895 -2.863 1.00 62.22 C ATOM 670 O GLY A 44 19.971 -3.654 -1.938 1.00 34.40 O ATOM 0 H GLY A 44 20.918 -2.886 -5.999 1.00 45.21 H new ATOM 0 HA2 GLY A 44 21.669 -4.270 -3.702 1.00 11.24 H new ATOM 0 HA3 GLY A 44 22.006 -2.588 -4.061 1.00 11.24 H new ATOM 674 N PRO A 45 19.762 -1.653 -2.950 1.00 12.40 N ATOM 675 CA PRO A 45 18.838 -1.099 -1.956 1.00 13.31 C ATOM 676 C PRO A 45 17.464 -1.758 -2.011 1.00 12.11 C ATOM 677 O PRO A 45 16.694 -1.692 -1.052 1.00 62.20 O ATOM 678 CB PRO A 45 18.738 0.378 -2.348 1.00 25.33 C ATOM 679 CG PRO A 45 19.061 0.406 -3.802 1.00 1.22 C ATOM 680 CD PRO A 45 20.063 -0.693 -4.025 1.00 53.24 C ATOM 0 HA PRO A 45 19.191 -1.261 -0.937 1.00 13.31 H new ATOM 0 HB2 PRO A 45 17.740 0.772 -2.156 1.00 25.33 H new ATOM 0 HB3 PRO A 45 19.437 0.988 -1.775 1.00 25.33 H new ATOM 0 HG2 PRO A 45 18.166 0.246 -4.404 1.00 1.22 H new ATOM 0 HG3 PRO A 45 19.472 1.373 -4.092 1.00 1.22 H new ATOM 0 HD2 PRO A 45 19.951 -1.145 -5.010 1.00 53.24 H new ATOM 0 HD3 PRO A 45 21.086 -0.323 -3.959 1.00 53.24 H new ATOM 688 N TYR A 46 17.162 -2.393 -3.138 1.00 3.01 N ATOM 689 CA TYR A 46 15.880 -3.063 -3.318 1.00 52.22 C ATOM 690 C TYR A 46 15.973 -4.534 -2.924 1.00 42.41 C ATOM 691 O TYR A 46 15.378 -5.398 -3.567 1.00 24.11 O ATOM 692 CB TYR A 46 15.417 -2.941 -4.771 1.00 51.10 C ATOM 693 CG TYR A 46 15.340 -1.514 -5.264 1.00 55.32 C ATOM 694 CD1 TYR A 46 14.558 -0.572 -4.606 1.00 31.10 C ATOM 695 CD2 TYR A 46 16.047 -1.107 -6.389 1.00 11.14 C ATOM 696 CE1 TYR A 46 14.483 0.733 -5.053 1.00 64.12 C ATOM 697 CE2 TYR A 46 15.980 0.196 -6.842 1.00 54.21 C ATOM 698 CZ TYR A 46 15.196 1.112 -6.171 1.00 45.23 C ATOM 699 OH TYR A 46 15.126 2.411 -6.621 1.00 33.13 O ATOM 0 H TYR A 46 17.788 -2.458 -3.941 1.00 3.01 H new ATOM 0 HA TYR A 46 15.151 -2.578 -2.669 1.00 52.22 H new ATOM 0 HB2 TYR A 46 16.100 -3.501 -5.410 1.00 51.10 H new ATOM 0 HB3 TYR A 46 14.436 -3.405 -4.871 1.00 51.10 H new ATOM 0 HD1 TYR A 46 13.999 -0.865 -3.730 1.00 31.10 H new ATOM 0 HD2 TYR A 46 16.659 -1.822 -6.918 1.00 11.14 H new ATOM 0 HE1 TYR A 46 13.870 1.452 -4.530 1.00 64.12 H new ATOM 0 HE2 TYR A 46 16.538 0.496 -7.717 1.00 54.21 H new ATOM 0 HH TYR A 46 15.688 2.512 -7.417 1.00 33.13 H new ATOM 709 N GLU A 47 16.724 -4.808 -1.862 1.00 61.51 N ATOM 710 CA GLU A 47 16.896 -6.175 -1.382 1.00 11.53 C ATOM 711 C GLU A 47 15.875 -6.502 -0.296 1.00 12.10 C ATOM 712 O GLU A 47 15.372 -7.623 -0.219 1.00 61.14 O ATOM 713 CB GLU A 47 18.313 -6.374 -0.841 1.00 63.21 C ATOM 714 CG GLU A 47 19.293 -6.896 -1.879 1.00 34.32 C ATOM 715 CD GLU A 47 20.700 -6.373 -1.668 1.00 41.22 C ATOM 716 OE1 GLU A 47 21.464 -6.310 -2.654 1.00 10.31 O ATOM 717 OE2 GLU A 47 21.037 -6.026 -0.517 1.00 1.23 O ATOM 0 H GLU A 47 17.222 -4.103 -1.318 1.00 61.51 H new ATOM 0 HA GLU A 47 16.737 -6.851 -2.222 1.00 11.53 H new ATOM 0 HB2 GLU A 47 18.681 -5.425 -0.451 1.00 63.21 H new ATOM 0 HB3 GLU A 47 18.279 -7.071 -0.003 1.00 63.21 H new ATOM 0 HG2 GLU A 47 19.306 -7.985 -1.846 1.00 34.32 H new ATOM 0 HG3 GLU A 47 18.949 -6.611 -2.873 1.00 34.32 H new ATOM 724 N ASP A 48 15.574 -5.516 0.541 1.00 11.54 N ATOM 725 CA ASP A 48 14.613 -5.697 1.623 1.00 32.21 C ATOM 726 C ASP A 48 13.370 -4.843 1.394 1.00 34.25 C ATOM 727 O ASP A 48 12.252 -5.259 1.701 1.00 33.03 O ATOM 728 CB ASP A 48 15.251 -5.341 2.967 1.00 63.35 C ATOM 729 CG ASP A 48 16.297 -6.352 3.396 1.00 13.44 C ATOM 730 OD1 ASP A 48 17.365 -6.412 2.752 1.00 51.42 O ATOM 731 OD2 ASP A 48 16.047 -7.082 4.378 1.00 1.31 O ATOM 0 H ASP A 48 15.982 -4.582 0.491 1.00 11.54 H new ATOM 0 HA ASP A 48 14.314 -6.745 1.638 1.00 32.21 H new ATOM 0 HB2 ASP A 48 15.710 -4.355 2.899 1.00 63.35 H new ATOM 0 HB3 ASP A 48 14.475 -5.279 3.730 1.00 63.35 H new ATOM 736 N THR A 49 13.572 -3.645 0.854 1.00 33.33 N ATOM 737 CA THR A 49 12.468 -2.732 0.587 1.00 43.53 C ATOM 738 C THR A 49 11.365 -3.420 -0.209 1.00 43.32 C ATOM 739 O THR A 49 10.187 -3.322 0.133 1.00 61.23 O ATOM 740 CB THR A 49 12.944 -1.487 -0.187 1.00 22.51 C ATOM 741 OG1 THR A 49 13.314 -1.852 -1.521 1.00 65.22 O ATOM 742 CG2 THR A 49 14.127 -0.835 0.513 1.00 41.14 C ATOM 0 H THR A 49 14.490 -3.285 0.593 1.00 33.33 H new ATOM 0 HA THR A 49 12.074 -2.421 1.555 1.00 43.53 H new ATOM 0 HB THR A 49 12.123 -0.771 -0.221 1.00 22.51 H new ATOM 0 HG1 THR A 49 12.756 -1.362 -2.161 1.00 65.22 H new ATOM 0 HG21 THR A 49 14.446 0.041 -0.051 1.00 41.14 H new ATOM 0 HG22 THR A 49 13.833 -0.532 1.518 1.00 41.14 H new ATOM 0 HG23 THR A 49 14.951 -1.546 0.574 1.00 41.14 H new ATOM 750 N ALA A 50 11.755 -4.116 -1.272 1.00 1.10 N ATOM 751 CA ALA A 50 10.799 -4.823 -2.115 1.00 12.21 C ATOM 752 C ALA A 50 10.018 -5.857 -1.311 1.00 64.42 C ATOM 753 O ALA A 50 10.600 -6.774 -0.730 1.00 42.31 O ATOM 754 CB ALA A 50 11.514 -5.488 -3.281 1.00 42.14 C ATOM 0 H ALA A 50 12.727 -4.205 -1.570 1.00 1.10 H new ATOM 0 HA ALA A 50 10.089 -4.094 -2.507 1.00 12.21 H new ATOM 0 HB1 ALA A 50 10.788 -6.012 -3.902 1.00 42.14 H new ATOM 0 HB2 ALA A 50 12.021 -4.729 -3.877 1.00 42.14 H new ATOM 0 HB3 ALA A 50 12.247 -6.200 -2.900 1.00 42.14 H new ATOM 760 N ASP A 51 8.699 -5.704 -1.282 1.00 22.42 N ATOM 761 CA ASP A 51 7.839 -6.626 -0.549 1.00 73.12 C ATOM 762 C ASP A 51 7.720 -7.958 -1.283 1.00 31.31 C ATOM 763 O ASP A 51 7.646 -9.018 -0.660 1.00 21.23 O ATOM 764 CB ASP A 51 6.451 -6.014 -0.351 1.00 4.45 C ATOM 765 CG ASP A 51 6.377 -5.137 0.884 1.00 31.22 C ATOM 766 OD1 ASP A 51 6.608 -3.916 0.760 1.00 73.44 O ATOM 767 OD2 ASP A 51 6.089 -5.672 1.975 1.00 35.15 O ATOM 0 H ASP A 51 8.202 -4.951 -1.757 1.00 22.42 H new ATOM 0 HA ASP A 51 8.291 -6.808 0.426 1.00 73.12 H new ATOM 0 HB2 ASP A 51 6.189 -5.424 -1.229 1.00 4.45 H new ATOM 0 HB3 ASP A 51 5.713 -6.812 -0.271 1.00 4.45 H new ATOM 772 N LEU A 52 7.701 -7.897 -2.610 1.00 32.22 N ATOM 773 CA LEU A 52 7.590 -9.099 -3.430 1.00 12.25 C ATOM 774 C LEU A 52 8.388 -8.953 -4.721 1.00 4.21 C ATOM 775 O LEU A 52 8.301 -7.933 -5.406 1.00 12.34 O ATOM 776 CB LEU A 52 6.123 -9.385 -3.753 1.00 75.34 C ATOM 777 CG LEU A 52 5.751 -10.857 -3.937 1.00 34.13 C ATOM 778 CD1 LEU A 52 6.488 -11.450 -5.128 1.00 14.43 C ATOM 779 CD2 LEU A 52 6.056 -11.646 -2.672 1.00 2.12 C ATOM 0 H LEU A 52 7.761 -7.028 -3.141 1.00 32.22 H new ATOM 0 HA LEU A 52 8.001 -9.935 -2.864 1.00 12.25 H new ATOM 0 HB2 LEU A 52 5.508 -8.973 -2.953 1.00 75.34 H new ATOM 0 HB3 LEU A 52 5.861 -8.848 -4.665 1.00 75.34 H new ATOM 0 HG LEU A 52 4.680 -10.919 -4.131 1.00 34.13 H new ATOM 0 HD11 LEU A 52 6.210 -12.498 -5.243 1.00 14.43 H new ATOM 0 HD12 LEU A 52 6.220 -10.902 -6.031 1.00 14.43 H new ATOM 0 HD13 LEU A 52 7.563 -11.375 -4.965 1.00 14.43 H new ATOM 0 HD21 LEU A 52 5.785 -12.691 -2.821 1.00 2.12 H new ATOM 0 HD22 LEU A 52 7.120 -11.575 -2.447 1.00 2.12 H new ATOM 0 HD23 LEU A 52 5.481 -11.237 -1.841 1.00 2.12 H new ATOM 791 N LEU A 53 9.165 -9.979 -5.049 1.00 61.21 N ATOM 792 CA LEU A 53 9.978 -9.967 -6.260 1.00 42.24 C ATOM 793 C LEU A 53 9.705 -11.202 -7.112 1.00 53.05 C ATOM 794 O LEU A 53 9.673 -12.324 -6.606 1.00 41.23 O ATOM 795 CB LEU A 53 11.463 -9.900 -5.901 1.00 4.14 C ATOM 796 CG LEU A 53 12.440 -9.898 -7.077 1.00 73.15 C ATOM 797 CD1 LEU A 53 12.202 -8.688 -7.967 1.00 14.54 C ATOM 798 CD2 LEU A 53 13.877 -9.921 -6.578 1.00 50.01 C ATOM 0 H LEU A 53 9.249 -10.830 -4.493 1.00 61.21 H new ATOM 0 HA LEU A 53 9.710 -9.083 -6.838 1.00 42.24 H new ATOM 0 HB2 LEU A 53 11.633 -8.999 -5.312 1.00 4.14 H new ATOM 0 HB3 LEU A 53 11.700 -10.749 -5.260 1.00 4.14 H new ATOM 0 HG LEU A 53 12.268 -10.798 -7.668 1.00 73.15 H new ATOM 0 HD11 LEU A 53 12.907 -8.704 -8.798 1.00 14.54 H new ATOM 0 HD12 LEU A 53 11.183 -8.716 -8.354 1.00 14.54 H new ATOM 0 HD13 LEU A 53 12.345 -7.776 -7.387 1.00 14.54 H new ATOM 0 HD21 LEU A 53 14.558 -9.919 -7.429 1.00 50.01 H new ATOM 0 HD22 LEU A 53 14.063 -9.040 -5.963 1.00 50.01 H new ATOM 0 HD23 LEU A 53 14.041 -10.820 -5.984 1.00 50.01 H new ATOM 810 N VAL A 54 9.510 -10.988 -8.410 1.00 35.31 N ATOM 811 CA VAL A 54 9.242 -12.084 -9.333 1.00 63.35 C ATOM 812 C VAL A 54 10.302 -12.152 -10.427 1.00 62.22 C ATOM 813 O VAL A 54 10.518 -11.186 -11.159 1.00 44.24 O ATOM 814 CB VAL A 54 7.855 -11.942 -9.987 1.00 33.03 C ATOM 815 CG1 VAL A 54 7.542 -13.157 -10.848 1.00 5.45 C ATOM 816 CG2 VAL A 54 6.784 -11.742 -8.925 1.00 3.34 C ATOM 0 H VAL A 54 9.533 -10.066 -8.845 1.00 35.31 H new ATOM 0 HA VAL A 54 9.267 -13.003 -8.748 1.00 63.35 H new ATOM 0 HB VAL A 54 7.865 -11.063 -10.632 1.00 33.03 H new ATOM 0 HG11 VAL A 54 6.558 -13.038 -11.301 1.00 5.45 H new ATOM 0 HG12 VAL A 54 8.294 -13.251 -11.632 1.00 5.45 H new ATOM 0 HG13 VAL A 54 7.550 -14.054 -10.228 1.00 5.45 H new ATOM 0 HG21 VAL A 54 5.810 -11.643 -9.404 1.00 3.34 H new ATOM 0 HG22 VAL A 54 6.773 -12.601 -8.253 1.00 3.34 H new ATOM 0 HG23 VAL A 54 7.001 -10.839 -8.355 1.00 3.34 H new ATOM 826 N THR A 55 10.962 -13.301 -10.534 1.00 21.42 N ATOM 827 CA THR A 55 12.000 -13.496 -11.538 1.00 25.23 C ATOM 828 C THR A 55 11.935 -14.899 -12.131 1.00 40.34 C ATOM 829 O THR A 55 11.343 -15.806 -11.546 1.00 14.33 O ATOM 830 CB THR A 55 13.404 -13.267 -10.946 1.00 50.50 C ATOM 831 OG1 THR A 55 14.404 -13.582 -11.921 1.00 2.20 O ATOM 832 CG2 THR A 55 13.613 -14.118 -9.703 1.00 65.53 C ATOM 0 H THR A 55 10.796 -14.111 -9.937 1.00 21.42 H new ATOM 0 HA THR A 55 11.820 -12.763 -12.324 1.00 25.23 H new ATOM 0 HB THR A 55 13.489 -12.217 -10.666 1.00 50.50 H new ATOM 0 HG1 THR A 55 14.768 -12.753 -12.296 1.00 2.20 H new ATOM 0 HG21 THR A 55 14.611 -13.939 -9.303 1.00 65.53 H new ATOM 0 HG22 THR A 55 12.869 -13.854 -8.952 1.00 65.53 H new ATOM 0 HG23 THR A 55 13.509 -15.172 -9.962 1.00 65.53 H new ATOM 840 N THR A 56 12.548 -15.072 -13.298 1.00 42.33 N ATOM 841 CA THR A 56 12.559 -16.364 -13.972 1.00 21.12 C ATOM 842 C THR A 56 13.984 -16.863 -14.181 1.00 43.25 C ATOM 843 O THR A 56 14.244 -18.065 -14.139 1.00 12.11 O ATOM 844 CB THR A 56 11.846 -16.293 -15.335 1.00 63.04 C ATOM 845 OG1 THR A 56 12.135 -17.468 -16.101 1.00 45.02 O ATOM 846 CG2 THR A 56 12.281 -15.058 -16.109 1.00 53.54 C ATOM 0 H THR A 56 13.044 -14.333 -13.796 1.00 42.33 H new ATOM 0 HA THR A 56 12.024 -17.061 -13.327 1.00 21.12 H new ATOM 0 HB THR A 56 10.773 -16.231 -15.156 1.00 63.04 H new ATOM 0 HG1 THR A 56 11.687 -18.240 -15.697 1.00 45.02 H new ATOM 0 HG21 THR A 56 11.764 -15.029 -17.068 1.00 53.54 H new ATOM 0 HG22 THR A 56 12.034 -14.164 -15.537 1.00 53.54 H new ATOM 0 HG23 THR A 56 13.357 -15.095 -16.278 1.00 53.54 H new ATOM 854 N ALA A 57 14.905 -15.931 -14.407 1.00 71.33 N ATOM 855 CA ALA A 57 16.305 -16.277 -14.621 1.00 12.22 C ATOM 856 C ALA A 57 16.887 -16.987 -13.403 1.00 72.24 C ATOM 857 O ALA A 57 16.157 -17.374 -12.491 1.00 50.40 O ATOM 858 CB ALA A 57 17.113 -15.029 -14.943 1.00 3.35 C ATOM 0 H ALA A 57 14.707 -14.931 -14.447 1.00 71.33 H new ATOM 0 HA ALA A 57 16.360 -16.961 -15.468 1.00 12.22 H new ATOM 0 HB1 ALA A 57 18.157 -15.302 -15.100 1.00 3.35 H new ATOM 0 HB2 ALA A 57 16.719 -14.564 -15.847 1.00 3.35 H new ATOM 0 HB3 ALA A 57 17.043 -14.326 -14.113 1.00 3.35 H new ATOM 864 N MET A 58 18.205 -17.157 -13.397 1.00 11.40 N ATOM 865 CA MET A 58 18.884 -17.821 -12.291 1.00 3.35 C ATOM 866 C MET A 58 19.540 -16.801 -11.365 1.00 24.10 C ATOM 867 O MET A 58 19.959 -15.728 -11.802 1.00 74.42 O ATOM 868 CB MET A 58 19.936 -18.796 -12.822 1.00 25.03 C ATOM 869 CG MET A 58 19.391 -20.188 -13.097 1.00 10.13 C ATOM 870 SD MET A 58 19.340 -21.219 -11.618 1.00 41.32 S ATOM 871 CE MET A 58 20.167 -22.695 -12.206 1.00 75.01 C ATOM 0 H MET A 58 18.824 -16.844 -14.145 1.00 11.40 H new ATOM 0 HA MET A 58 18.139 -18.377 -11.721 1.00 3.35 H new ATOM 0 HB2 MET A 58 20.362 -18.393 -13.741 1.00 25.03 H new ATOM 0 HB3 MET A 58 20.749 -18.869 -12.100 1.00 25.03 H new ATOM 0 HG2 MET A 58 18.387 -20.105 -13.512 1.00 10.13 H new ATOM 0 HG3 MET A 58 20.009 -20.673 -13.852 1.00 10.13 H new ATOM 0 HE1 MET A 58 20.214 -23.430 -11.403 1.00 75.01 H new ATOM 0 HE2 MET A 58 19.613 -23.112 -13.047 1.00 75.01 H new ATOM 0 HE3 MET A 58 21.178 -22.443 -12.527 1.00 75.01 H new ATOM 881 N THR A 59 19.628 -17.142 -10.083 1.00 34.11 N ATOM 882 CA THR A 59 20.231 -16.256 -9.096 1.00 23.03 C ATOM 883 C THR A 59 20.625 -17.022 -7.838 1.00 13.55 C ATOM 884 O THR A 59 20.080 -18.088 -7.551 1.00 41.10 O ATOM 885 CB THR A 59 19.275 -15.112 -8.709 1.00 5.31 C ATOM 886 OG1 THR A 59 18.616 -14.608 -9.876 1.00 62.41 O ATOM 887 CG2 THR A 59 20.031 -13.985 -8.021 1.00 41.54 C ATOM 0 H THR A 59 19.289 -18.026 -9.704 1.00 34.11 H new ATOM 0 HA THR A 59 21.124 -15.833 -9.555 1.00 23.03 H new ATOM 0 HB THR A 59 18.533 -15.507 -8.016 1.00 5.31 H new ATOM 0 HG1 THR A 59 19.232 -14.636 -10.637 1.00 62.41 H new ATOM 0 HG21 THR A 59 19.335 -13.188 -7.757 1.00 41.54 H new ATOM 0 HG22 THR A 59 20.507 -14.365 -7.117 1.00 41.54 H new ATOM 0 HG23 THR A 59 20.792 -13.593 -8.695 1.00 41.54 H new ATOM 895 N LYS A 60 21.574 -16.471 -7.088 1.00 53.11 N ATOM 896 CA LYS A 60 22.040 -17.100 -5.858 1.00 73.42 C ATOM 897 C LYS A 60 20.953 -17.075 -4.788 1.00 74.15 C ATOM 898 O LYS A 60 19.824 -16.656 -5.045 1.00 51.41 O ATOM 899 CB LYS A 60 23.294 -16.392 -5.342 1.00 64.32 C ATOM 900 CG LYS A 60 24.477 -16.483 -6.290 1.00 65.24 C ATOM 901 CD LYS A 60 25.795 -16.287 -5.559 1.00 13.21 C ATOM 902 CE LYS A 60 26.983 -16.568 -6.466 1.00 1.52 C ATOM 903 NZ LYS A 60 28.245 -16.731 -5.692 1.00 10.30 N ATOM 0 H LYS A 60 22.036 -15.589 -7.311 1.00 53.11 H new ATOM 0 HA LYS A 60 22.282 -18.139 -6.081 1.00 73.42 H new ATOM 0 HB2 LYS A 60 23.061 -15.342 -5.165 1.00 64.32 H new ATOM 0 HB3 LYS A 60 23.575 -16.823 -4.381 1.00 64.32 H new ATOM 0 HG2 LYS A 60 24.475 -17.455 -6.783 1.00 65.24 H new ATOM 0 HG3 LYS A 60 24.377 -15.729 -7.071 1.00 65.24 H new ATOM 0 HD2 LYS A 60 25.856 -15.265 -5.184 1.00 13.21 H new ATOM 0 HD3 LYS A 60 25.833 -16.947 -4.693 1.00 13.21 H new ATOM 0 HE2 LYS A 60 26.792 -17.472 -7.045 1.00 1.52 H new ATOM 0 HE3 LYS A 60 27.097 -15.751 -7.179 1.00 1.52 H new ATOM 0 HZ1 LYS A 60 29.031 -16.921 -6.346 1.00 10.30 H new ATOM 0 HZ2 LYS A 60 28.441 -15.859 -5.159 1.00 10.30 H new ATOM 0 HZ3 LYS A 60 28.146 -17.527 -5.030 1.00 10.30 H new ATOM 917 N LYS A 61 21.300 -17.525 -3.588 1.00 21.34 N ATOM 918 CA LYS A 61 20.356 -17.552 -2.477 1.00 74.12 C ATOM 919 C LYS A 61 20.629 -16.411 -1.502 1.00 64.43 C ATOM 920 O LYS A 61 21.078 -16.638 -0.379 1.00 15.20 O ATOM 921 CB LYS A 61 20.436 -18.893 -1.745 1.00 32.43 C ATOM 922 CG LYS A 61 20.191 -20.093 -2.644 1.00 12.03 C ATOM 923 CD LYS A 61 19.983 -21.363 -1.835 1.00 52.51 C ATOM 924 CE LYS A 61 19.400 -22.478 -2.689 1.00 54.11 C ATOM 925 NZ LYS A 61 20.360 -22.940 -3.729 1.00 21.31 N ATOM 0 H LYS A 61 22.230 -17.877 -3.359 1.00 21.34 H new ATOM 0 HA LYS A 61 19.352 -17.426 -2.883 1.00 74.12 H new ATOM 0 HB2 LYS A 61 21.420 -18.989 -1.286 1.00 32.43 H new ATOM 0 HB3 LYS A 61 19.705 -18.900 -0.936 1.00 32.43 H new ATOM 0 HG2 LYS A 61 19.315 -19.910 -3.267 1.00 12.03 H new ATOM 0 HG3 LYS A 61 21.039 -20.224 -3.317 1.00 12.03 H new ATOM 0 HD2 LYS A 61 20.934 -21.686 -1.412 1.00 52.51 H new ATOM 0 HD3 LYS A 61 19.316 -21.157 -0.998 1.00 52.51 H new ATOM 0 HE2 LYS A 61 19.124 -23.318 -2.051 1.00 54.11 H new ATOM 0 HE3 LYS A 61 18.486 -22.128 -3.168 1.00 54.11 H new ATOM 0 HZ1 LYS A 61 19.925 -23.700 -4.290 1.00 21.31 H new ATOM 0 HZ2 LYS A 61 20.604 -22.145 -4.354 1.00 21.31 H new ATOM 0 HZ3 LYS A 61 21.222 -23.298 -3.271 1.00 21.31 H new ATOM 939 N GLU A 62 20.355 -15.186 -1.940 1.00 24.31 N ATOM 940 CA GLU A 62 20.572 -14.011 -1.104 1.00 62.22 C ATOM 941 C GLU A 62 19.390 -13.051 -1.198 1.00 50.14 C ATOM 942 O GLU A 62 19.568 -11.844 -1.367 1.00 62.42 O ATOM 943 CB GLU A 62 21.860 -13.295 -1.517 1.00 55.43 C ATOM 944 CG GLU A 62 23.124 -14.039 -1.122 1.00 10.31 C ATOM 945 CD GLU A 62 23.420 -13.939 0.362 1.00 73.00 C ATOM 946 OE1 GLU A 62 24.241 -13.081 0.748 1.00 53.04 O ATOM 947 OE2 GLU A 62 22.829 -14.720 1.138 1.00 42.24 O ATOM 0 H GLU A 62 19.983 -14.982 -2.867 1.00 24.31 H new ATOM 0 HA GLU A 62 20.666 -14.344 -0.070 1.00 62.22 H new ATOM 0 HB2 GLU A 62 21.856 -13.152 -2.598 1.00 55.43 H new ATOM 0 HB3 GLU A 62 21.876 -12.304 -1.064 1.00 55.43 H new ATOM 0 HG2 GLU A 62 23.025 -15.089 -1.399 1.00 10.31 H new ATOM 0 HG3 GLU A 62 23.967 -13.639 -1.685 1.00 10.31 H new ATOM 954 N TYR A 63 18.183 -13.595 -1.089 1.00 23.32 N ATOM 955 CA TYR A 63 16.971 -12.789 -1.165 1.00 1.54 C ATOM 956 C TYR A 63 16.271 -12.728 0.190 1.00 63.33 C ATOM 957 O TYR A 63 16.067 -13.752 0.843 1.00 2.20 O ATOM 958 CB TYR A 63 16.019 -13.358 -2.218 1.00 45.11 C ATOM 959 CG TYR A 63 16.460 -13.091 -3.640 1.00 2.04 C ATOM 960 CD1 TYR A 63 16.492 -14.112 -4.581 1.00 75.42 C ATOM 961 CD2 TYR A 63 16.846 -11.818 -4.041 1.00 22.10 C ATOM 962 CE1 TYR A 63 16.894 -13.874 -5.881 1.00 1.40 C ATOM 963 CE2 TYR A 63 17.249 -11.570 -5.339 1.00 13.21 C ATOM 964 CZ TYR A 63 17.271 -12.601 -6.255 1.00 43.30 C ATOM 965 OH TYR A 63 17.673 -12.358 -7.549 1.00 0.45 O ATOM 0 H TYR A 63 18.018 -14.592 -0.948 1.00 23.32 H new ATOM 0 HA TYR A 63 17.256 -11.777 -1.452 1.00 1.54 H new ATOM 0 HB2 TYR A 63 15.929 -14.434 -2.070 1.00 45.11 H new ATOM 0 HB3 TYR A 63 15.027 -12.931 -2.068 1.00 45.11 H new ATOM 0 HD1 TYR A 63 16.197 -15.110 -4.291 1.00 75.42 H new ATOM 0 HD2 TYR A 63 16.831 -11.009 -3.326 1.00 22.10 H new ATOM 0 HE1 TYR A 63 16.913 -14.680 -6.600 1.00 1.40 H new ATOM 0 HE2 TYR A 63 17.545 -10.574 -5.635 1.00 13.21 H new ATOM 0 HH TYR A 63 17.412 -13.111 -8.120 1.00 0.45 H new ATOM 975 N LYS A 64 15.905 -11.521 0.606 1.00 52.23 N ATOM 976 CA LYS A 64 15.226 -11.324 1.881 1.00 53.32 C ATOM 977 C LYS A 64 13.713 -11.278 1.690 1.00 30.23 C ATOM 978 O LYS A 64 13.014 -10.528 2.371 1.00 12.23 O ATOM 979 CB LYS A 64 15.706 -10.031 2.543 1.00 0.54 C ATOM 980 CG LYS A 64 17.203 -9.998 2.801 1.00 74.53 C ATOM 981 CD LYS A 64 17.564 -10.734 4.080 1.00 64.41 C ATOM 982 CE LYS A 64 17.203 -9.920 5.313 1.00 72.14 C ATOM 983 NZ LYS A 64 16.869 -10.790 6.474 1.00 24.41 N ATOM 0 H LYS A 64 16.067 -10.663 0.078 1.00 52.23 H new ATOM 0 HA LYS A 64 15.468 -12.168 2.527 1.00 53.32 H new ATOM 0 HB2 LYS A 64 15.437 -9.186 1.909 1.00 0.54 H new ATOM 0 HB3 LYS A 64 15.180 -9.900 3.489 1.00 0.54 H new ATOM 0 HG2 LYS A 64 17.728 -10.450 1.959 1.00 74.53 H new ATOM 0 HG3 LYS A 64 17.539 -8.963 2.868 1.00 74.53 H new ATOM 0 HD2 LYS A 64 17.043 -11.691 4.109 1.00 64.41 H new ATOM 0 HD3 LYS A 64 18.632 -10.952 4.087 1.00 64.41 H new ATOM 0 HE2 LYS A 64 18.037 -9.269 5.575 1.00 72.14 H new ATOM 0 HE3 LYS A 64 16.354 -9.275 5.087 1.00 72.14 H new ATOM 0 HZ1 LYS A 64 16.629 -10.197 7.294 1.00 24.41 H new ATOM 0 HZ2 LYS A 64 16.057 -11.394 6.233 1.00 24.41 H new ATOM 0 HZ3 LYS A 64 17.688 -11.388 6.707 1.00 24.41 H new ATOM 997 N PHE A 65 13.214 -12.087 0.761 1.00 14.33 N ATOM 998 CA PHE A 65 11.783 -12.139 0.482 1.00 43.21 C ATOM 999 C PHE A 65 11.425 -13.407 -0.287 1.00 63.13 C ATOM 1000 O PHE A 65 12.266 -14.025 -0.941 1.00 31.44 O ATOM 1001 CB PHE A 65 11.353 -10.906 -0.316 1.00 32.20 C ATOM 1002 CG PHE A 65 12.328 -10.516 -1.390 1.00 21.34 C ATOM 1003 CD1 PHE A 65 12.973 -9.291 -1.346 1.00 52.35 C ATOM 1004 CD2 PHE A 65 12.600 -11.375 -2.442 1.00 72.43 C ATOM 1005 CE1 PHE A 65 13.871 -8.929 -2.333 1.00 2.13 C ATOM 1006 CE2 PHE A 65 13.497 -11.019 -3.431 1.00 25.30 C ATOM 1007 CZ PHE A 65 14.133 -9.794 -3.377 1.00 20.12 C ATOM 0 H PHE A 65 13.779 -12.715 0.189 1.00 14.33 H new ATOM 0 HA PHE A 65 11.252 -12.151 1.434 1.00 43.21 H new ATOM 0 HB2 PHE A 65 10.381 -11.099 -0.771 1.00 32.20 H new ATOM 0 HB3 PHE A 65 11.224 -10.067 0.368 1.00 32.20 H new ATOM 0 HD1 PHE A 65 12.772 -8.611 -0.531 1.00 52.35 H new ATOM 0 HD2 PHE A 65 12.105 -12.334 -2.490 1.00 72.43 H new ATOM 0 HE1 PHE A 65 14.367 -7.971 -2.287 1.00 2.13 H new ATOM 0 HE2 PHE A 65 13.701 -11.698 -4.246 1.00 25.30 H new ATOM 0 HZ PHE A 65 14.834 -9.513 -4.150 1.00 20.12 H new ATOM 1017 N PRO A 66 10.147 -13.805 -0.208 1.00 71.24 N ATOM 1018 CA PRO A 66 9.647 -15.003 -0.890 1.00 42.23 C ATOM 1019 C PRO A 66 9.603 -14.832 -2.405 1.00 12.42 C ATOM 1020 O PRO A 66 8.548 -14.560 -2.978 1.00 72.44 O ATOM 1021 CB PRO A 66 8.233 -15.166 -0.329 1.00 34.41 C ATOM 1022 CG PRO A 66 7.830 -13.795 0.090 1.00 4.42 C ATOM 1023 CD PRO A 66 9.091 -13.117 0.552 1.00 14.41 C ATOM 0 HA PRO A 66 10.290 -15.867 -0.720 1.00 42.23 H new ATOM 0 HB2 PRO A 66 7.553 -15.566 -1.081 1.00 34.41 H new ATOM 0 HB3 PRO A 66 8.219 -15.857 0.514 1.00 34.41 H new ATOM 0 HG2 PRO A 66 7.375 -13.251 -0.738 1.00 4.42 H new ATOM 0 HG3 PRO A 66 7.091 -13.833 0.890 1.00 4.42 H new ATOM 0 HD2 PRO A 66 9.074 -12.048 0.339 1.00 14.41 H new ATOM 0 HD3 PRO A 66 9.234 -13.225 1.627 1.00 14.41 H new ATOM 1031 N VAL A 67 10.755 -14.992 -3.048 1.00 41.10 N ATOM 1032 CA VAL A 67 10.847 -14.857 -4.497 1.00 1.52 C ATOM 1033 C VAL A 67 9.804 -15.721 -5.197 1.00 4.31 C ATOM 1034 O VAL A 67 9.489 -16.821 -4.743 1.00 2.03 O ATOM 1035 CB VAL A 67 12.247 -15.244 -5.009 1.00 30.51 C ATOM 1036 CG1 VAL A 67 12.316 -15.117 -6.523 1.00 42.30 C ATOM 1037 CG2 VAL A 67 13.314 -14.387 -4.344 1.00 35.50 C ATOM 0 H VAL A 67 11.638 -15.215 -2.588 1.00 41.10 H new ATOM 0 HA VAL A 67 10.661 -13.809 -4.730 1.00 1.52 H new ATOM 0 HB VAL A 67 12.435 -16.285 -4.747 1.00 30.51 H new ATOM 0 HG11 VAL A 67 13.313 -15.395 -6.866 1.00 42.30 H new ATOM 0 HG12 VAL A 67 11.578 -15.778 -6.978 1.00 42.30 H new ATOM 0 HG13 VAL A 67 12.107 -14.087 -6.812 1.00 42.30 H new ATOM 0 HG21 VAL A 67 14.297 -14.674 -4.718 1.00 35.50 H new ATOM 0 HG22 VAL A 67 13.132 -13.337 -4.572 1.00 35.50 H new ATOM 0 HG23 VAL A 67 13.279 -14.535 -3.265 1.00 35.50 H new ATOM 1047 N ILE A 68 9.273 -15.216 -6.305 1.00 12.51 N ATOM 1048 CA ILE A 68 8.266 -15.942 -7.069 1.00 24.32 C ATOM 1049 C ILE A 68 8.791 -16.318 -8.451 1.00 34.34 C ATOM 1050 O ILE A 68 9.253 -15.463 -9.204 1.00 5.12 O ATOM 1051 CB ILE A 68 6.976 -15.117 -7.229 1.00 2.42 C ATOM 1052 CG1 ILE A 68 6.455 -14.673 -5.860 1.00 63.51 C ATOM 1053 CG2 ILE A 68 5.919 -15.923 -7.968 1.00 62.50 C ATOM 1054 CD1 ILE A 68 6.128 -15.826 -4.936 1.00 43.41 C ATOM 0 H ILE A 68 9.523 -14.307 -6.694 1.00 12.51 H new ATOM 0 HA ILE A 68 8.039 -16.849 -6.509 1.00 24.32 H new ATOM 0 HB ILE A 68 7.203 -14.227 -7.817 1.00 2.42 H new ATOM 0 HG12 ILE A 68 7.202 -14.037 -5.385 1.00 63.51 H new ATOM 0 HG13 ILE A 68 5.561 -14.065 -6.000 1.00 63.51 H new ATOM 0 HG21 ILE A 68 5.013 -15.326 -8.073 1.00 62.50 H new ATOM 0 HG22 ILE A 68 6.292 -16.193 -8.956 1.00 62.50 H new ATOM 0 HG23 ILE A 68 5.693 -16.829 -7.406 1.00 62.50 H new ATOM 0 HD11 ILE A 68 5.765 -15.438 -3.984 1.00 43.41 H new ATOM 0 HD12 ILE A 68 5.359 -16.450 -5.391 1.00 43.41 H new ATOM 0 HD13 ILE A 68 7.025 -16.422 -4.766 1.00 43.41 H new ATOM 1066 N ASN A 69 8.713 -17.604 -8.777 1.00 74.32 N ATOM 1067 CA ASN A 69 9.178 -18.094 -10.070 1.00 21.24 C ATOM 1068 C ASN A 69 8.319 -17.540 -11.203 1.00 25.44 C ATOM 1069 O ASN A 69 7.092 -17.539 -11.121 1.00 74.41 O ATOM 1070 CB ASN A 69 9.154 -19.624 -10.097 1.00 42.33 C ATOM 1071 CG ASN A 69 10.340 -20.234 -9.375 1.00 41.32 C ATOM 1072 OD1 ASN A 69 10.176 -21.044 -8.463 1.00 11.10 O ATOM 1073 ND2 ASN A 69 11.543 -19.846 -9.781 1.00 44.44 N ATOM 0 H ASN A 69 8.333 -18.325 -8.164 1.00 74.32 H new ATOM 0 HA ASN A 69 10.202 -17.751 -10.214 1.00 21.24 H new ATOM 0 HB2 ASN A 69 8.231 -19.978 -9.638 1.00 42.33 H new ATOM 0 HB3 ASN A 69 9.147 -19.966 -11.132 1.00 42.33 H new ATOM 0 HD21 ASN A 69 12.378 -20.222 -9.333 1.00 44.44 H new ATOM 0 HD22 ASN A 69 11.632 -19.172 -10.541 1.00 44.44 H new ATOM 1080 N ALA A 70 8.975 -17.071 -12.259 1.00 52.22 N ATOM 1081 CA ALA A 70 8.272 -16.517 -13.410 1.00 1.12 C ATOM 1082 C ALA A 70 8.521 -17.354 -14.660 1.00 34.00 C ATOM 1083 O ALA A 70 8.617 -16.822 -15.766 1.00 3.42 O ATOM 1084 CB ALA A 70 8.698 -15.075 -13.644 1.00 71.24 C ATOM 0 H ALA A 70 9.992 -17.063 -12.342 1.00 52.22 H new ATOM 0 HA ALA A 70 7.203 -16.539 -13.197 1.00 1.12 H new ATOM 0 HB1 ALA A 70 8.166 -14.674 -14.506 1.00 71.24 H new ATOM 0 HB2 ALA A 70 8.463 -14.479 -12.762 1.00 71.24 H new ATOM 0 HB3 ALA A 70 9.771 -15.038 -13.831 1.00 71.24 H new ATOM 1090 N ARG A 71 8.624 -18.666 -14.477 1.00 33.31 N ATOM 1091 CA ARG A 71 8.863 -19.577 -15.590 1.00 41.54 C ATOM 1092 C ARG A 71 7.820 -19.381 -16.686 1.00 75.13 C ATOM 1093 O ARG A 71 8.124 -19.490 -17.873 1.00 71.22 O ATOM 1094 CB ARG A 71 8.843 -21.027 -15.105 1.00 14.04 C ATOM 1095 CG ARG A 71 9.828 -21.307 -13.981 1.00 75.03 C ATOM 1096 CD ARG A 71 11.260 -21.339 -14.491 1.00 52.22 C ATOM 1097 NE ARG A 71 11.563 -22.583 -15.193 1.00 44.01 N ATOM 1098 CZ ARG A 71 12.618 -22.742 -15.985 1.00 2.42 C ATOM 1099 NH1 ARG A 71 13.466 -21.740 -16.174 1.00 11.21 N ATOM 1100 NH2 ARG A 71 12.827 -23.904 -16.589 1.00 30.41 N ATOM 0 H ARG A 71 8.546 -19.122 -13.568 1.00 33.31 H new ATOM 0 HA ARG A 71 9.846 -19.354 -16.004 1.00 41.54 H new ATOM 0 HB2 ARG A 71 7.837 -21.274 -14.765 1.00 14.04 H new ATOM 0 HB3 ARG A 71 9.066 -21.685 -15.945 1.00 14.04 H new ATOM 0 HG2 ARG A 71 9.732 -20.541 -13.212 1.00 75.03 H new ATOM 0 HG3 ARG A 71 9.586 -22.261 -13.513 1.00 75.03 H new ATOM 0 HD2 ARG A 71 11.425 -20.495 -15.161 1.00 52.22 H new ATOM 0 HD3 ARG A 71 11.946 -21.219 -13.653 1.00 52.22 H new ATOM 0 HE ARG A 71 10.930 -23.373 -15.069 1.00 44.01 H new ATOM 0 HH11 ARG A 71 13.309 -20.845 -15.711 1.00 11.21 H new ATOM 0 HH12 ARG A 71 14.275 -21.865 -16.782 1.00 11.21 H new ATOM 0 HH21 ARG A 71 12.177 -24.677 -16.446 1.00 30.41 H new ATOM 0 HH22 ARG A 71 13.637 -24.024 -17.197 1.00 30.41 H new ATOM 1114 N ASN A 72 6.588 -19.092 -16.279 1.00 31.32 N ATOM 1115 CA ASN A 72 5.499 -18.883 -17.226 1.00 12.21 C ATOM 1116 C ASN A 72 5.642 -17.537 -17.931 1.00 21.32 C ATOM 1117 O ASN A 72 5.306 -17.402 -19.107 1.00 42.15 O ATOM 1118 CB ASN A 72 4.150 -18.954 -16.508 1.00 12.24 C ATOM 1119 CG ASN A 72 3.666 -20.379 -16.326 1.00 31.53 C ATOM 1120 OD1 ASN A 72 4.334 -21.330 -16.732 1.00 24.23 O ATOM 1121 ND2 ASN A 72 2.498 -20.534 -15.713 1.00 20.12 N ATOM 0 H ASN A 72 6.319 -18.997 -15.300 1.00 31.32 H new ATOM 0 HA ASN A 72 5.546 -19.673 -17.976 1.00 12.21 H new ATOM 0 HB2 ASN A 72 4.235 -18.475 -15.533 1.00 12.24 H new ATOM 0 HB3 ASN A 72 3.409 -18.391 -17.076 1.00 12.24 H new ATOM 0 HD21 ASN A 72 2.121 -21.470 -15.562 1.00 20.12 H new ATOM 0 HD22 ASN A 72 1.978 -19.717 -15.393 1.00 20.12 H new ATOM 1128 N PHE A 73 6.144 -16.545 -17.203 1.00 53.12 N ATOM 1129 CA PHE A 73 6.332 -15.209 -17.758 1.00 34.41 C ATOM 1130 C PHE A 73 7.360 -15.228 -18.885 1.00 24.34 C ATOM 1131 O PHE A 73 7.288 -14.431 -19.821 1.00 12.03 O ATOM 1132 CB PHE A 73 6.775 -14.237 -16.663 1.00 63.01 C ATOM 1133 CG PHE A 73 5.648 -13.760 -15.792 1.00 64.02 C ATOM 1134 CD1 PHE A 73 5.353 -14.407 -14.603 1.00 54.31 C ATOM 1135 CD2 PHE A 73 4.884 -12.665 -16.163 1.00 64.11 C ATOM 1136 CE1 PHE A 73 4.316 -13.970 -13.799 1.00 64.12 C ATOM 1137 CE2 PHE A 73 3.847 -12.224 -15.363 1.00 45.31 C ATOM 1138 CZ PHE A 73 3.562 -12.878 -14.180 1.00 43.34 C ATOM 0 H PHE A 73 6.428 -16.641 -16.228 1.00 53.12 H new ATOM 0 HA PHE A 73 5.378 -14.874 -18.166 1.00 34.41 H new ATOM 0 HB2 PHE A 73 7.525 -14.723 -16.039 1.00 63.01 H new ATOM 0 HB3 PHE A 73 7.255 -13.375 -17.126 1.00 63.01 H new ATOM 0 HD1 PHE A 73 5.939 -15.262 -14.301 1.00 54.31 H new ATOM 0 HD2 PHE A 73 5.101 -12.151 -17.087 1.00 64.11 H new ATOM 0 HE1 PHE A 73 4.096 -14.482 -12.874 1.00 64.12 H new ATOM 0 HE2 PHE A 73 3.260 -11.369 -15.662 1.00 45.31 H new ATOM 0 HZ PHE A 73 2.751 -12.536 -13.554 1.00 43.34 H new ATOM 1148 N LEU A 74 8.318 -16.143 -18.787 1.00 64.43 N ATOM 1149 CA LEU A 74 9.364 -16.267 -19.797 1.00 73.24 C ATOM 1150 C LEU A 74 8.764 -16.313 -21.199 1.00 72.40 C ATOM 1151 O LEU A 74 9.347 -15.799 -22.154 1.00 2.22 O ATOM 1152 CB LEU A 74 10.197 -17.525 -19.545 1.00 45.35 C ATOM 1153 CG LEU A 74 11.707 -17.380 -19.743 1.00 11.14 C ATOM 1154 CD1 LEU A 74 12.441 -18.564 -19.133 1.00 72.33 C ATOM 1155 CD2 LEU A 74 12.041 -17.246 -21.221 1.00 62.12 C ATOM 0 H LEU A 74 8.392 -16.810 -18.019 1.00 64.43 H new ATOM 0 HA LEU A 74 10.009 -15.391 -19.726 1.00 73.24 H new ATOM 0 HB2 LEU A 74 10.015 -17.859 -18.523 1.00 45.35 H new ATOM 0 HB3 LEU A 74 9.838 -18.313 -20.207 1.00 45.35 H new ATOM 0 HG LEU A 74 12.036 -16.474 -19.234 1.00 11.14 H new ATOM 0 HD11 LEU A 74 13.514 -18.444 -19.283 1.00 72.33 H new ATOM 0 HD12 LEU A 74 12.228 -18.614 -18.065 1.00 72.33 H new ATOM 0 HD13 LEU A 74 12.108 -19.485 -19.613 1.00 72.33 H new ATOM 0 HD21 LEU A 74 13.119 -17.144 -21.343 1.00 62.12 H new ATOM 0 HD22 LEU A 74 11.698 -18.133 -21.753 1.00 62.12 H new ATOM 0 HD23 LEU A 74 11.545 -16.365 -21.628 1.00 62.12 H new ATOM 1167 N THR A 75 7.593 -16.932 -21.316 1.00 13.10 N ATOM 1168 CA THR A 75 6.913 -17.044 -22.600 1.00 73.51 C ATOM 1169 C THR A 75 5.776 -16.035 -22.711 1.00 1.33 C ATOM 1170 O THR A 75 5.489 -15.525 -23.793 1.00 13.01 O ATOM 1171 CB THR A 75 6.348 -18.461 -22.814 1.00 60.44 C ATOM 1172 OG1 THR A 75 5.634 -18.522 -24.054 1.00 63.13 O ATOM 1173 CG2 THR A 75 5.424 -18.854 -21.672 1.00 33.23 C ATOM 0 H THR A 75 7.096 -17.363 -20.537 1.00 13.10 H new ATOM 0 HA THR A 75 7.656 -16.836 -23.370 1.00 73.51 H new ATOM 0 HB THR A 75 7.184 -19.160 -22.841 1.00 60.44 H new ATOM 0 HG1 THR A 75 5.279 -19.426 -24.183 1.00 63.13 H new ATOM 0 HG21 THR A 75 5.038 -19.858 -21.846 1.00 33.23 H new ATOM 0 HG22 THR A 75 5.978 -18.836 -20.733 1.00 33.23 H new ATOM 0 HG23 THR A 75 4.593 -18.150 -21.617 1.00 33.23 H new ATOM 1181 N GLY A 76 5.132 -15.749 -21.583 1.00 23.01 N ATOM 1182 CA GLY A 76 4.034 -14.800 -21.576 1.00 23.25 C ATOM 1183 C GLY A 76 2.680 -15.480 -21.603 1.00 70.43 C ATOM 1184 O GLY A 76 1.723 -14.949 -22.166 1.00 55.22 O ATOM 0 H GLY A 76 5.351 -16.158 -20.674 1.00 23.01 H new ATOM 0 HA2 GLY A 76 4.105 -14.174 -20.687 1.00 23.25 H new ATOM 0 HA3 GLY A 76 4.123 -14.140 -22.439 1.00 23.25 H new ATOM 1188 N ILE A 77 2.599 -16.659 -20.996 1.00 64.50 N ATOM 1189 CA ILE A 77 1.352 -17.413 -20.954 1.00 63.13 C ATOM 1190 C ILE A 77 1.169 -18.098 -19.604 1.00 71.14 C ATOM 1191 O ILE A 77 2.135 -18.540 -18.984 1.00 41.12 O ATOM 1192 CB ILE A 77 1.299 -18.476 -22.068 1.00 1.41 C ATOM 1193 CG1 ILE A 77 1.580 -17.834 -23.428 1.00 62.45 C ATOM 1194 CG2 ILE A 77 -0.054 -19.170 -22.073 1.00 75.11 C ATOM 1195 CD1 ILE A 77 0.483 -16.904 -23.896 1.00 43.31 C ATOM 0 H ILE A 77 3.382 -17.113 -20.526 1.00 64.50 H new ATOM 0 HA ILE A 77 0.545 -16.697 -21.108 1.00 63.13 H new ATOM 0 HB ILE A 77 2.068 -19.224 -21.874 1.00 1.41 H new ATOM 0 HG12 ILE A 77 2.516 -17.279 -23.372 1.00 62.45 H new ATOM 0 HG13 ILE A 77 1.720 -18.620 -24.170 1.00 62.45 H new ATOM 0 HG21 ILE A 77 -0.076 -19.918 -22.865 1.00 75.11 H new ATOM 0 HG22 ILE A 77 -0.217 -19.655 -21.111 1.00 75.11 H new ATOM 0 HG23 ILE A 77 -0.840 -18.434 -22.246 1.00 75.11 H new ATOM 0 HD11 ILE A 77 0.750 -16.485 -24.866 1.00 43.31 H new ATOM 0 HD12 ILE A 77 -0.451 -17.459 -23.985 1.00 43.31 H new ATOM 0 HD13 ILE A 77 0.358 -16.096 -23.175 1.00 43.31 H new ATOM 1207 N GLY A 78 -0.080 -18.184 -19.155 1.00 63.22 N ATOM 1208 CA GLY A 78 -0.368 -18.818 -17.882 1.00 60.41 C ATOM 1209 C GLY A 78 0.080 -17.979 -16.702 1.00 31.42 C ATOM 1210 O GLY A 78 0.655 -18.499 -15.745 1.00 65.24 O ATOM 0 H GLY A 78 -0.897 -17.826 -19.650 1.00 63.22 H new ATOM 0 HA2 GLY A 78 -1.439 -19.003 -17.806 1.00 60.41 H new ATOM 0 HA3 GLY A 78 0.127 -19.788 -17.843 1.00 60.41 H new ATOM 1214 N ILE A 79 -0.183 -16.679 -16.769 1.00 43.30 N ATOM 1215 CA ILE A 79 0.198 -15.767 -15.698 1.00 1.43 C ATOM 1216 C ILE A 79 -0.723 -15.920 -14.492 1.00 51.41 C ATOM 1217 O ILE A 79 -0.262 -16.027 -13.356 1.00 41.44 O ATOM 1218 CB ILE A 79 0.169 -14.301 -16.169 1.00 52.22 C ATOM 1219 CG1 ILE A 79 1.135 -14.099 -17.338 1.00 52.05 C ATOM 1220 CG2 ILE A 79 0.518 -13.368 -15.020 1.00 12.55 C ATOM 1221 CD1 ILE A 79 0.925 -12.796 -18.078 1.00 32.12 C ATOM 0 H ILE A 79 -0.658 -16.233 -17.554 1.00 43.30 H new ATOM 0 HA ILE A 79 1.217 -16.027 -15.410 1.00 1.43 H new ATOM 0 HB ILE A 79 -0.839 -14.065 -16.510 1.00 52.22 H new ATOM 0 HG12 ILE A 79 2.158 -14.134 -16.963 1.00 52.05 H new ATOM 0 HG13 ILE A 79 1.023 -14.927 -18.038 1.00 52.05 H new ATOM 0 HG21 ILE A 79 0.493 -12.336 -15.369 1.00 12.55 H new ATOM 0 HG22 ILE A 79 -0.205 -13.496 -14.215 1.00 12.55 H new ATOM 0 HG23 ILE A 79 1.517 -13.602 -14.651 1.00 12.55 H new ATOM 0 HD11 ILE A 79 1.645 -12.721 -18.893 1.00 32.12 H new ATOM 0 HD12 ILE A 79 -0.087 -12.766 -18.483 1.00 32.12 H new ATOM 0 HD13 ILE A 79 1.066 -11.961 -17.392 1.00 32.12 H new ATOM 1233 N GLU A 80 -2.028 -15.931 -14.749 1.00 5.25 N ATOM 1234 CA GLU A 80 -3.013 -16.072 -13.683 1.00 75.05 C ATOM 1235 C GLU A 80 -2.702 -17.285 -12.811 1.00 74.04 C ATOM 1236 O GLU A 80 -2.912 -17.260 -11.599 1.00 61.22 O ATOM 1237 CB GLU A 80 -4.419 -16.201 -14.274 1.00 33.45 C ATOM 1238 CG GLU A 80 -4.971 -14.897 -14.824 1.00 0.14 C ATOM 1239 CD GLU A 80 -5.108 -13.826 -13.759 1.00 23.13 C ATOM 1240 OE1 GLU A 80 -6.202 -13.715 -13.168 1.00 13.53 O ATOM 1241 OE2 GLU A 80 -4.121 -13.100 -13.516 1.00 72.14 O ATOM 0 H GLU A 80 -2.426 -15.844 -15.684 1.00 5.25 H new ATOM 0 HA GLU A 80 -2.968 -15.179 -13.060 1.00 75.05 H new ATOM 0 HB2 GLU A 80 -4.402 -16.943 -15.072 1.00 33.45 H new ATOM 0 HB3 GLU A 80 -5.094 -16.576 -13.505 1.00 33.45 H new ATOM 0 HG2 GLU A 80 -4.316 -14.535 -15.616 1.00 0.14 H new ATOM 0 HG3 GLU A 80 -5.946 -15.081 -15.276 1.00 0.14 H new ATOM 1248 N GLU A 81 -2.202 -18.345 -13.439 1.00 2.23 N ATOM 1249 CA GLU A 81 -1.863 -19.568 -12.720 1.00 54.31 C ATOM 1250 C GLU A 81 -0.907 -19.275 -11.568 1.00 11.54 C ATOM 1251 O GLU A 81 -1.007 -19.872 -10.495 1.00 45.32 O ATOM 1252 CB GLU A 81 -1.235 -20.588 -13.672 1.00 1.40 C ATOM 1253 CG GLU A 81 -2.156 -21.012 -14.803 1.00 63.25 C ATOM 1254 CD GLU A 81 -3.488 -21.537 -14.305 1.00 55.24 C ATOM 1255 OE1 GLU A 81 -3.510 -22.641 -13.722 1.00 11.21 O ATOM 1256 OE2 GLU A 81 -4.509 -20.844 -14.499 1.00 72.21 O ATOM 0 H GLU A 81 -2.023 -18.382 -14.442 1.00 2.23 H new ATOM 0 HA GLU A 81 -2.783 -19.984 -12.309 1.00 54.31 H new ATOM 0 HB2 GLU A 81 -0.324 -20.164 -14.096 1.00 1.40 H new ATOM 0 HB3 GLU A 81 -0.942 -21.470 -13.103 1.00 1.40 H new ATOM 0 HG2 GLU A 81 -2.329 -20.162 -15.464 1.00 63.25 H new ATOM 0 HG3 GLU A 81 -1.665 -21.783 -15.397 1.00 63.25 H new ATOM 1263 N THR A 82 0.021 -18.350 -11.797 1.00 31.43 N ATOM 1264 CA THR A 82 0.997 -17.978 -10.780 1.00 35.50 C ATOM 1265 C THR A 82 0.461 -16.866 -9.885 1.00 64.24 C ATOM 1266 O THR A 82 0.705 -16.854 -8.679 1.00 4.03 O ATOM 1267 CB THR A 82 2.322 -17.518 -11.415 1.00 41.01 C ATOM 1268 OG1 THR A 82 2.651 -18.359 -12.526 1.00 62.23 O ATOM 1269 CG2 THR A 82 3.451 -17.551 -10.396 1.00 32.12 C ATOM 0 H THR A 82 0.117 -17.845 -12.678 1.00 31.43 H new ATOM 0 HA THR A 82 1.182 -18.868 -10.178 1.00 35.50 H new ATOM 0 HB THR A 82 2.196 -16.492 -11.761 1.00 41.01 H new ATOM 0 HG1 THR A 82 3.494 -18.059 -12.925 1.00 62.23 H new ATOM 0 HG21 THR A 82 4.377 -17.222 -10.868 1.00 32.12 H new ATOM 0 HG22 THR A 82 3.211 -16.887 -9.566 1.00 32.12 H new ATOM 0 HG23 THR A 82 3.575 -18.568 -10.023 1.00 32.12 H new ATOM 1277 N LYS A 83 -0.270 -15.932 -10.484 1.00 33.41 N ATOM 1278 CA LYS A 83 -0.843 -14.816 -9.741 1.00 44.34 C ATOM 1279 C LYS A 83 -1.620 -15.312 -8.527 1.00 13.55 C ATOM 1280 O LYS A 83 -1.673 -14.640 -7.497 1.00 13.03 O ATOM 1281 CB LYS A 83 -1.761 -13.992 -10.647 1.00 12.12 C ATOM 1282 CG LYS A 83 -1.015 -13.049 -11.575 1.00 24.23 C ATOM 1283 CD LYS A 83 -0.246 -11.994 -10.797 1.00 50.01 C ATOM 1284 CE LYS A 83 -0.826 -10.606 -11.019 1.00 50.50 C ATOM 1285 NZ LYS A 83 -2.023 -10.362 -10.168 1.00 34.01 N ATOM 0 H LYS A 83 -0.480 -15.926 -11.482 1.00 33.41 H new ATOM 0 HA LYS A 83 -0.025 -14.185 -9.393 1.00 44.34 H new ATOM 0 HB2 LYS A 83 -2.370 -14.670 -11.245 1.00 12.12 H new ATOM 0 HB3 LYS A 83 -2.444 -13.412 -10.027 1.00 12.12 H new ATOM 0 HG2 LYS A 83 -0.325 -13.619 -12.197 1.00 24.23 H new ATOM 0 HG3 LYS A 83 -1.722 -12.563 -12.247 1.00 24.23 H new ATOM 0 HD2 LYS A 83 -0.271 -12.234 -9.734 1.00 50.01 H new ATOM 0 HD3 LYS A 83 0.800 -12.006 -11.102 1.00 50.01 H new ATOM 0 HE2 LYS A 83 -0.066 -9.856 -10.800 1.00 50.50 H new ATOM 0 HE3 LYS A 83 -1.097 -10.489 -12.068 1.00 50.50 H new ATOM 0 HZ1 LYS A 83 -2.388 -9.405 -10.349 1.00 34.01 H new ATOM 0 HZ2 LYS A 83 -2.758 -11.062 -10.394 1.00 34.01 H new ATOM 0 HZ3 LYS A 83 -1.760 -10.448 -9.166 1.00 34.01 H new ATOM 1299 N GLN A 84 -2.220 -16.491 -8.654 1.00 53.45 N ATOM 1300 CA GLN A 84 -2.994 -17.076 -7.566 1.00 11.42 C ATOM 1301 C GLN A 84 -2.138 -17.236 -6.314 1.00 65.12 C ATOM 1302 O GLN A 84 -2.628 -17.099 -5.194 1.00 32.10 O ATOM 1303 CB GLN A 84 -3.562 -18.432 -7.987 1.00 61.01 C ATOM 1304 CG GLN A 84 -4.810 -18.328 -8.849 1.00 22.11 C ATOM 1305 CD GLN A 84 -5.195 -19.651 -9.480 1.00 62.44 C ATOM 1306 OE1 GLN A 84 -6.274 -20.185 -9.222 1.00 21.20 O ATOM 1307 NE2 GLN A 84 -4.312 -20.189 -10.314 1.00 51.33 N ATOM 0 H GLN A 84 -2.185 -17.060 -9.500 1.00 53.45 H new ATOM 0 HA GLN A 84 -3.818 -16.401 -7.336 1.00 11.42 H new ATOM 0 HB2 GLN A 84 -2.797 -18.983 -8.535 1.00 61.01 H new ATOM 0 HB3 GLN A 84 -3.795 -19.012 -7.094 1.00 61.01 H new ATOM 0 HG2 GLN A 84 -5.638 -17.965 -8.240 1.00 22.11 H new ATOM 0 HG3 GLN A 84 -4.644 -17.590 -9.634 1.00 22.11 H new ATOM 0 HE21 GLN A 84 -3.430 -19.712 -10.500 1.00 51.33 H new ATOM 0 HE22 GLN A 84 -4.517 -21.079 -10.769 1.00 51.33 H new ATOM 1316 N GLN A 85 -0.856 -17.527 -6.513 1.00 72.54 N ATOM 1317 CA GLN A 85 0.068 -17.708 -5.400 1.00 12.41 C ATOM 1318 C GLN A 85 0.566 -16.362 -4.883 1.00 65.21 C ATOM 1319 O GLN A 85 0.499 -16.083 -3.686 1.00 3.13 O ATOM 1320 CB GLN A 85 1.253 -18.574 -5.828 1.00 44.04 C ATOM 1321 CG GLN A 85 0.849 -19.818 -6.604 1.00 4.43 C ATOM 1322 CD GLN A 85 -0.344 -20.525 -5.992 1.00 4.14 C ATOM 1323 OE1 GLN A 85 -0.460 -20.626 -4.770 1.00 72.40 O ATOM 1324 NE2 GLN A 85 -1.238 -21.019 -6.839 1.00 54.24 N ATOM 0 H GLN A 85 -0.434 -17.642 -7.434 1.00 72.54 H new ATOM 0 HA GLN A 85 -0.467 -18.211 -4.594 1.00 12.41 H new ATOM 0 HB2 GLN A 85 1.926 -17.976 -6.442 1.00 44.04 H new ATOM 0 HB3 GLN A 85 1.812 -18.874 -4.942 1.00 44.04 H new ATOM 0 HG2 GLN A 85 0.614 -19.540 -7.632 1.00 4.43 H new ATOM 0 HG3 GLN A 85 1.693 -20.506 -6.645 1.00 4.43 H new ATOM 0 HE21 GLN A 85 -1.102 -20.912 -7.844 1.00 54.24 H new ATOM 0 HE22 GLN A 85 -2.062 -21.506 -6.485 1.00 54.24 H new ATOM 1333 N ILE A 86 1.067 -15.533 -5.793 1.00 74.10 N ATOM 1334 CA ILE A 86 1.576 -14.217 -5.429 1.00 13.25 C ATOM 1335 C ILE A 86 0.505 -13.388 -4.728 1.00 54.44 C ATOM 1336 O ILE A 86 0.729 -12.853 -3.642 1.00 22.14 O ATOM 1337 CB ILE A 86 2.080 -13.447 -6.663 1.00 51.52 C ATOM 1338 CG1 ILE A 86 3.236 -14.200 -7.324 1.00 43.41 C ATOM 1339 CG2 ILE A 86 2.511 -12.041 -6.271 1.00 61.21 C ATOM 1340 CD1 ILE A 86 2.845 -14.905 -8.604 1.00 3.31 C ATOM 0 H ILE A 86 1.131 -15.750 -6.788 1.00 74.10 H new ATOM 0 HA ILE A 86 2.411 -14.379 -4.747 1.00 13.25 H new ATOM 0 HB ILE A 86 1.264 -13.368 -7.382 1.00 51.52 H new ATOM 0 HG12 ILE A 86 4.042 -13.498 -7.537 1.00 43.41 H new ATOM 0 HG13 ILE A 86 3.630 -14.933 -6.621 1.00 43.41 H new ATOM 0 HG21 ILE A 86 2.865 -11.509 -7.154 1.00 61.21 H new ATOM 0 HG22 ILE A 86 1.663 -11.507 -5.841 1.00 61.21 H new ATOM 0 HG23 ILE A 86 3.314 -12.098 -5.536 1.00 61.21 H new ATOM 0 HD11 ILE A 86 3.714 -15.417 -9.017 1.00 3.31 H new ATOM 0 HD12 ILE A 86 2.061 -15.632 -8.394 1.00 3.31 H new ATOM 0 HD13 ILE A 86 2.478 -14.174 -9.325 1.00 3.31 H new ATOM 1352 N LEU A 87 -0.661 -13.285 -5.357 1.00 33.52 N ATOM 1353 CA LEU A 87 -1.770 -12.523 -4.794 1.00 1.45 C ATOM 1354 C LEU A 87 -2.044 -12.943 -3.353 1.00 70.22 C ATOM 1355 O LEU A 87 -2.457 -12.131 -2.525 1.00 12.30 O ATOM 1356 CB LEU A 87 -3.029 -12.714 -5.641 1.00 41.50 C ATOM 1357 CG LEU A 87 -4.108 -11.641 -5.491 1.00 11.21 C ATOM 1358 CD1 LEU A 87 -3.564 -10.277 -5.887 1.00 70.14 C ATOM 1359 CD2 LEU A 87 -5.330 -11.993 -6.327 1.00 11.03 C ATOM 0 H LEU A 87 -0.863 -13.720 -6.257 1.00 33.52 H new ATOM 0 HA LEU A 87 -1.493 -11.469 -4.799 1.00 1.45 H new ATOM 0 HB2 LEU A 87 -2.734 -12.760 -6.689 1.00 41.50 H new ATOM 0 HB3 LEU A 87 -3.468 -13.680 -5.391 1.00 41.50 H new ATOM 0 HG LEU A 87 -4.408 -11.599 -4.444 1.00 11.21 H new ATOM 0 HD11 LEU A 87 -4.346 -9.526 -5.774 1.00 70.14 H new ATOM 0 HD12 LEU A 87 -2.720 -10.022 -5.246 1.00 70.14 H new ATOM 0 HD13 LEU A 87 -3.235 -10.304 -6.926 1.00 70.14 H new ATOM 0 HD21 LEU A 87 -6.088 -11.218 -6.208 1.00 11.03 H new ATOM 0 HD22 LEU A 87 -5.045 -12.063 -7.377 1.00 11.03 H new ATOM 0 HD23 LEU A 87 -5.734 -12.950 -5.996 1.00 11.03 H new ATOM 1371 N THR A 88 -1.809 -14.218 -3.059 1.00 75.45 N ATOM 1372 CA THR A 88 -2.030 -14.747 -1.719 1.00 62.24 C ATOM 1373 C THR A 88 -1.365 -13.869 -0.666 1.00 13.24 C ATOM 1374 O THR A 88 -1.847 -13.766 0.462 1.00 4.31 O ATOM 1375 CB THR A 88 -1.492 -16.184 -1.587 1.00 23.40 C ATOM 1376 OG1 THR A 88 -1.931 -16.976 -2.696 1.00 61.14 O ATOM 1377 CG2 THR A 88 -1.960 -16.820 -0.287 1.00 32.02 C ATOM 0 H THR A 88 -1.465 -14.904 -3.731 1.00 75.45 H new ATOM 0 HA THR A 88 -3.108 -14.754 -1.555 1.00 62.24 H new ATOM 0 HB THR A 88 -0.403 -16.141 -1.581 1.00 23.40 H new ATOM 0 HG1 THR A 88 -2.359 -16.398 -3.362 1.00 61.14 H new ATOM 0 HG21 THR A 88 -1.567 -17.834 -0.216 1.00 32.02 H new ATOM 0 HG22 THR A 88 -1.599 -16.232 0.557 1.00 32.02 H new ATOM 0 HG23 THR A 88 -3.049 -16.850 -0.268 1.00 32.02 H new ATOM 1385 N GLU A 89 -0.257 -13.237 -1.041 1.00 74.22 N ATOM 1386 CA GLU A 89 0.473 -12.367 -0.126 1.00 75.35 C ATOM 1387 C GLU A 89 0.432 -10.919 -0.604 1.00 55.52 C ATOM 1388 O GLU A 89 0.437 -9.987 0.201 1.00 2.34 O ATOM 1389 CB GLU A 89 1.925 -12.832 0.005 1.00 54.43 C ATOM 1390 CG GLU A 89 2.582 -13.156 -1.326 1.00 63.40 C ATOM 1391 CD GLU A 89 3.986 -13.705 -1.164 1.00 64.51 C ATOM 1392 OE1 GLU A 89 4.778 -13.100 -0.412 1.00 11.20 O ATOM 1393 OE2 GLU A 89 4.293 -14.742 -1.790 1.00 43.21 O ATOM 0 H GLU A 89 0.154 -13.311 -1.971 1.00 74.22 H new ATOM 0 HA GLU A 89 -0.008 -12.423 0.850 1.00 75.35 H new ATOM 0 HB2 GLU A 89 2.503 -12.055 0.506 1.00 54.43 H new ATOM 0 HB3 GLU A 89 1.959 -13.716 0.642 1.00 54.43 H new ATOM 0 HG2 GLU A 89 1.971 -13.883 -1.861 1.00 63.40 H new ATOM 0 HG3 GLU A 89 2.616 -12.255 -1.939 1.00 63.40 H new ATOM 1400 N LEU A 90 0.391 -10.737 -1.919 1.00 52.44 N ATOM 1401 CA LEU A 90 0.349 -9.402 -2.506 1.00 43.32 C ATOM 1402 C LEU A 90 -0.749 -8.559 -1.866 1.00 33.21 C ATOM 1403 O LEU A 90 -0.534 -7.396 -1.526 1.00 64.24 O ATOM 1404 CB LEU A 90 0.123 -9.494 -4.016 1.00 55.32 C ATOM 1405 CG LEU A 90 0.786 -8.406 -4.862 1.00 55.00 C ATOM 1406 CD1 LEU A 90 2.300 -8.492 -4.751 1.00 32.12 C ATOM 1407 CD2 LEU A 90 0.348 -8.520 -6.315 1.00 43.32 C ATOM 0 H LEU A 90 0.386 -11.497 -2.599 1.00 52.44 H new ATOM 0 HA LEU A 90 1.308 -8.919 -2.317 1.00 43.32 H new ATOM 0 HB2 LEU A 90 0.485 -10.463 -4.359 1.00 55.32 H new ATOM 0 HB3 LEU A 90 -0.950 -9.469 -4.205 1.00 55.32 H new ATOM 0 HG LEU A 90 0.470 -7.434 -4.483 1.00 55.00 H new ATOM 0 HD11 LEU A 90 2.754 -7.710 -5.360 1.00 32.12 H new ATOM 0 HD12 LEU A 90 2.597 -8.360 -3.710 1.00 32.12 H new ATOM 0 HD13 LEU A 90 2.636 -9.467 -5.103 1.00 32.12 H new ATOM 0 HD21 LEU A 90 0.829 -7.738 -6.903 1.00 43.32 H new ATOM 0 HD22 LEU A 90 0.635 -9.496 -6.706 1.00 43.32 H new ATOM 0 HD23 LEU A 90 -0.734 -8.407 -6.379 1.00 43.32 H new ATOM 1419 N GLN A 91 -1.926 -9.156 -1.703 1.00 2.54 N ATOM 1420 CA GLN A 91 -3.057 -8.460 -1.101 1.00 54.33 C ATOM 1421 C GLN A 91 -3.555 -9.198 0.137 1.00 70.22 C ATOM 1422 O GLN A 91 -3.989 -8.580 1.109 1.00 24.13 O ATOM 1423 CB GLN A 91 -4.193 -8.318 -2.116 1.00 13.42 C ATOM 1424 CG GLN A 91 -4.634 -9.639 -2.725 1.00 0.21 C ATOM 1425 CD GLN A 91 -5.668 -10.355 -1.879 1.00 74.13 C ATOM 1426 OE1 GLN A 91 -6.346 -9.741 -1.055 1.00 33.11 O ATOM 1427 NE2 GLN A 91 -5.795 -11.662 -2.080 1.00 15.43 N ATOM 0 H GLN A 91 -2.121 -10.118 -1.979 1.00 2.54 H new ATOM 0 HA GLN A 91 -2.722 -7.468 -0.799 1.00 54.33 H new ATOM 0 HB2 GLN A 91 -5.048 -7.849 -1.629 1.00 13.42 H new ATOM 0 HB3 GLN A 91 -3.874 -7.648 -2.914 1.00 13.42 H new ATOM 0 HG2 GLN A 91 -5.045 -9.458 -3.718 1.00 0.21 H new ATOM 0 HG3 GLN A 91 -3.765 -10.284 -2.853 1.00 0.21 H new ATOM 0 HE21 GLN A 91 -5.212 -12.130 -2.774 1.00 15.43 H new ATOM 0 HE22 GLN A 91 -6.476 -12.197 -1.541 1.00 15.43 H new ATOM 1436 N LYS A 92 -3.490 -10.525 0.094 1.00 12.33 N ATOM 1437 CA LYS A 92 -3.933 -11.349 1.212 1.00 31.05 C ATOM 1438 C LYS A 92 -2.761 -11.711 2.119 1.00 31.02 C ATOM 1439 O LYS A 92 -1.728 -11.042 2.111 1.00 4.11 O ATOM 1440 CB LYS A 92 -4.606 -12.623 0.698 1.00 33.51 C ATOM 1441 CG LYS A 92 -4.864 -13.656 1.782 1.00 5.43 C ATOM 1442 CD LYS A 92 -5.503 -14.912 1.216 1.00 61.14 C ATOM 1443 CE LYS A 92 -4.756 -16.163 1.652 1.00 64.14 C ATOM 1444 NZ LYS A 92 -5.215 -17.370 0.910 1.00 30.35 N ATOM 0 H LYS A 92 -3.135 -11.052 -0.704 1.00 12.33 H new ATOM 0 HA LYS A 92 -4.654 -10.773 1.792 1.00 31.05 H new ATOM 0 HB2 LYS A 92 -5.553 -12.359 0.227 1.00 33.51 H new ATOM 0 HB3 LYS A 92 -3.979 -13.068 -0.075 1.00 33.51 H new ATOM 0 HG2 LYS A 92 -3.925 -13.914 2.271 1.00 5.43 H new ATOM 0 HG3 LYS A 92 -5.514 -13.229 2.545 1.00 5.43 H new ATOM 0 HD2 LYS A 92 -6.540 -14.973 1.545 1.00 61.14 H new ATOM 0 HD3 LYS A 92 -5.516 -14.856 0.128 1.00 61.14 H new ATOM 0 HE2 LYS A 92 -3.687 -16.022 1.491 1.00 64.14 H new ATOM 0 HE3 LYS A 92 -4.900 -16.318 2.721 1.00 64.14 H new ATOM 0 HZ1 LYS A 92 -4.615 -18.181 1.161 1.00 30.35 H new ATOM 0 HZ2 LYS A 92 -6.202 -17.578 1.163 1.00 30.35 H new ATOM 0 HZ3 LYS A 92 -5.149 -17.194 -0.113 1.00 30.35 H new TER 1458 LYS A 92