USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 18 ASN : amide:sc= -2.42 K(o=-2.8,f=0.56) USER MOD Set 1.2: A 24 THR OG1 : rot -159:sc= -0.369 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= 0.476 (180deg=0.468) USER MOD Single : A 3 TYR OH : rot -102:sc= 1.2 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.38 K(o=-2.4,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= 0.128 (180deg=0.0408) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.502) USER MOD Single : A 33 ASN : amide:sc= -0.305 X(o=-0.31,f=-0.06) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= 0.836 (180deg=0.0385) USER MOD Single : A 40 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= -1.59 K(o=-1.6,f=-11!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.729 USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.836 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.87) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.527 0.075 -1.514 1.00 63.31 N ATOM 2 CA ALA A 1 2.337 1.140 -2.091 1.00 4.30 C ATOM 3 C ALA A 1 3.800 1.000 -1.683 1.00 61.14 C ATOM 4 O ALA A 1 4.332 1.829 -0.945 1.00 44.55 O ATOM 5 CB ALA A 1 1.798 2.500 -1.670 1.00 64.44 C ATOM 0 H1 ALA A 1 0.536 0.194 -1.808 1.00 63.31 H new ATOM 0 H2 ALA A 1 1.878 -0.846 -1.845 1.00 63.31 H new ATOM 0 H3 ALA A 1 1.588 0.116 -0.477 1.00 63.31 H new ATOM 0 HA ALA A 1 2.280 1.058 -3.176 1.00 4.30 H new ATOM 0 HB1 ALA A 1 2.413 3.286 -2.108 1.00 64.44 H new ATOM 0 HB2 ALA A 1 0.770 2.607 -2.017 1.00 64.44 H new ATOM 0 HB3 ALA A 1 1.825 2.582 -0.583 1.00 64.44 H new ATOM 11 N LYS A 2 4.446 -0.056 -2.168 1.00 13.53 N ATOM 12 CA LYS A 2 5.848 -0.305 -1.855 1.00 33.42 C ATOM 13 C LYS A 2 6.035 -0.562 -0.363 1.00 32.11 C ATOM 14 O LYS A 2 5.197 -0.177 0.453 1.00 73.31 O ATOM 15 CB LYS A 2 6.708 0.883 -2.291 1.00 24.35 C ATOM 16 CG LYS A 2 7.862 0.497 -3.200 1.00 72.13 C ATOM 17 CD LYS A 2 9.144 1.211 -2.808 1.00 44.11 C ATOM 18 CE LYS A 2 9.252 2.572 -3.478 1.00 54.32 C ATOM 19 NZ LYS A 2 10.170 2.543 -4.650 1.00 22.11 N ATOM 0 H LYS A 2 4.020 -0.753 -2.779 1.00 13.53 H new ATOM 0 HA LYS A 2 6.164 -1.194 -2.401 1.00 33.42 H new ATOM 0 HB2 LYS A 2 6.077 1.608 -2.806 1.00 24.35 H new ATOM 0 HB3 LYS A 2 7.105 1.378 -1.405 1.00 24.35 H new ATOM 0 HG2 LYS A 2 8.017 -0.581 -3.155 1.00 72.13 H new ATOM 0 HG3 LYS A 2 7.610 0.740 -4.232 1.00 72.13 H new ATOM 0 HD2 LYS A 2 9.177 1.334 -1.725 1.00 44.11 H new ATOM 0 HD3 LYS A 2 10.002 0.599 -3.085 1.00 44.11 H new ATOM 0 HE2 LYS A 2 8.263 2.898 -3.800 1.00 54.32 H new ATOM 0 HE3 LYS A 2 9.609 3.305 -2.755 1.00 54.32 H new ATOM 0 HZ1 LYS A 2 10.269 3.503 -5.037 1.00 22.11 H new ATOM 0 HZ2 LYS A 2 11.102 2.192 -4.352 1.00 22.11 H new ATOM 0 HZ3 LYS A 2 9.781 1.914 -5.381 1.00 22.11 H new ATOM 33 N TYR A 3 7.139 -1.213 -0.013 1.00 51.32 N ATOM 34 CA TYR A 3 7.435 -1.521 1.381 1.00 61.33 C ATOM 35 C TYR A 3 8.753 -0.884 1.811 1.00 32.45 C ATOM 36 O TYR A 3 9.442 -0.251 1.011 1.00 61.41 O ATOM 37 CB TYR A 3 7.496 -3.036 1.588 1.00 51.41 C ATOM 38 CG TYR A 3 6.192 -3.741 1.288 1.00 4.41 C ATOM 39 CD1 TYR A 3 5.094 -3.599 2.128 1.00 65.00 C ATOM 40 CD2 TYR A 3 6.059 -4.549 0.166 1.00 13.20 C ATOM 41 CE1 TYR A 3 3.902 -4.242 1.859 1.00 54.33 C ATOM 42 CE2 TYR A 3 4.869 -5.194 -0.112 1.00 24.10 C ATOM 43 CZ TYR A 3 3.794 -5.038 0.737 1.00 11.43 C ATOM 44 OH TYR A 3 2.608 -5.680 0.465 1.00 52.13 O ATOM 0 H TYR A 3 7.843 -1.537 -0.675 1.00 51.32 H new ATOM 0 HA TYR A 3 6.635 -1.109 1.996 1.00 61.33 H new ATOM 0 HB2 TYR A 3 8.278 -3.450 0.952 1.00 51.41 H new ATOM 0 HB3 TYR A 3 7.782 -3.242 2.619 1.00 51.41 H new ATOM 0 HD1 TYR A 3 5.174 -2.975 3.006 1.00 65.00 H new ATOM 0 HD2 TYR A 3 6.900 -4.675 -0.500 1.00 13.20 H new ATOM 0 HE1 TYR A 3 3.059 -4.123 2.523 1.00 54.33 H new ATOM 0 HE2 TYR A 3 4.781 -5.817 -0.990 1.00 24.10 H new ATOM 0 HH TYR A 3 2.682 -6.624 0.717 1.00 52.13 H new ATOM 54 N THR A 4 9.098 -1.057 3.084 1.00 61.13 N ATOM 55 CA THR A 4 10.332 -0.500 3.623 1.00 20.02 C ATOM 56 C THR A 4 11.082 -1.531 4.458 1.00 30.53 C ATOM 57 O THR A 4 10.480 -2.442 5.025 1.00 33.22 O ATOM 58 CB THR A 4 10.055 0.743 4.490 1.00 24.21 C ATOM 59 OG1 THR A 4 8.895 1.429 4.007 1.00 60.30 O ATOM 60 CG2 THR A 4 11.249 1.686 4.480 1.00 30.14 C ATOM 0 H THR A 4 8.540 -1.578 3.760 1.00 61.13 H new ATOM 0 HA THR A 4 10.947 -0.210 2.771 1.00 20.02 H new ATOM 0 HB THR A 4 9.881 0.413 5.514 1.00 24.21 H new ATOM 0 HG1 THR A 4 8.725 2.217 4.565 1.00 60.30 H new ATOM 0 HG21 THR A 4 11.030 2.556 5.099 1.00 30.14 H new ATOM 0 HG22 THR A 4 12.124 1.170 4.876 1.00 30.14 H new ATOM 0 HG23 THR A 4 11.449 2.008 3.458 1.00 30.14 H new ATOM 68 N GLY A 5 12.401 -1.382 4.531 1.00 43.24 N ATOM 69 CA GLY A 5 13.212 -2.308 5.300 1.00 52.13 C ATOM 70 C GLY A 5 14.685 -1.952 5.269 1.00 30.24 C ATOM 71 O GLY A 5 15.052 -0.818 4.960 1.00 72.42 O ATOM 0 H GLY A 5 12.923 -0.636 4.071 1.00 43.24 H new ATOM 0 HA2 GLY A 5 12.865 -2.318 6.333 1.00 52.13 H new ATOM 0 HA3 GLY A 5 13.077 -3.316 4.909 1.00 52.13 H new ATOM 75 N LYS A 6 15.533 -2.922 5.593 1.00 30.44 N ATOM 76 CA LYS A 6 16.975 -2.707 5.603 1.00 61.32 C ATOM 77 C LYS A 6 17.712 -3.940 5.090 1.00 25.21 C ATOM 78 O LYS A 6 17.233 -5.066 5.229 1.00 54.30 O ATOM 79 CB LYS A 6 17.451 -2.366 7.017 1.00 63.44 C ATOM 80 CG LYS A 6 16.519 -1.428 7.763 1.00 50.33 C ATOM 81 CD LYS A 6 15.472 -2.194 8.554 1.00 25.02 C ATOM 82 CE LYS A 6 15.667 -2.018 10.052 1.00 24.14 C ATOM 83 NZ LYS A 6 14.562 -2.640 10.832 1.00 14.44 N ATOM 0 H LYS A 6 15.246 -3.866 5.852 1.00 30.44 H new ATOM 0 HA LYS A 6 17.197 -1.871 4.940 1.00 61.32 H new ATOM 0 HB2 LYS A 6 17.557 -3.289 7.588 1.00 63.44 H new ATOM 0 HB3 LYS A 6 18.440 -1.911 6.959 1.00 63.44 H new ATOM 0 HG2 LYS A 6 17.099 -0.799 8.439 1.00 50.33 H new ATOM 0 HG3 LYS A 6 16.026 -0.763 7.054 1.00 50.33 H new ATOM 0 HD2 LYS A 6 14.477 -1.849 8.272 1.00 25.02 H new ATOM 0 HD3 LYS A 6 15.526 -3.253 8.301 1.00 25.02 H new ATOM 0 HE2 LYS A 6 16.617 -2.463 10.349 1.00 24.14 H new ATOM 0 HE3 LYS A 6 15.725 -0.956 10.288 1.00 24.14 H new ATOM 0 HZ1 LYS A 6 14.732 -2.498 11.848 1.00 14.44 H new ATOM 0 HZ2 LYS A 6 13.659 -2.198 10.567 1.00 14.44 H new ATOM 0 HZ3 LYS A 6 14.523 -3.659 10.626 1.00 14.44 H new ATOM 97 N CYS A 7 18.882 -3.721 4.498 1.00 31.13 N ATOM 98 CA CYS A 7 19.687 -4.814 3.966 1.00 54.23 C ATOM 99 C CYS A 7 20.740 -5.256 4.977 1.00 63.41 C ATOM 100 O CYS A 7 20.783 -4.761 6.104 1.00 62.24 O ATOM 101 CB CYS A 7 20.363 -4.388 2.661 1.00 20.01 C ATOM 102 SG CYS A 7 19.248 -4.356 1.221 1.00 34.41 S ATOM 0 H CYS A 7 19.294 -2.796 4.375 1.00 31.13 H new ATOM 0 HA CYS A 7 19.025 -5.657 3.766 1.00 54.23 H new ATOM 0 HB2 CYS A 7 20.794 -3.396 2.795 1.00 20.01 H new ATOM 0 HB3 CYS A 7 21.188 -5.069 2.453 1.00 20.01 H new ATOM 107 N THR A 8 21.590 -6.193 4.566 1.00 1.23 N ATOM 108 CA THR A 8 22.643 -6.703 5.435 1.00 20.31 C ATOM 109 C THR A 8 23.922 -6.969 4.650 1.00 25.54 C ATOM 110 O THR A 8 23.989 -7.900 3.847 1.00 34.44 O ATOM 111 CB THR A 8 22.208 -8.001 6.142 1.00 63.12 C ATOM 112 OG1 THR A 8 20.922 -8.411 5.665 1.00 14.15 O ATOM 113 CG2 THR A 8 22.158 -7.805 7.650 1.00 73.44 C ATOM 0 H THR A 8 21.569 -6.613 3.637 1.00 1.23 H new ATOM 0 HA THR A 8 22.834 -5.936 6.185 1.00 20.31 H new ATOM 0 HB THR A 8 22.941 -8.775 5.917 1.00 63.12 H new ATOM 0 HG1 THR A 8 20.653 -9.237 6.118 1.00 14.15 H new ATOM 0 HG21 THR A 8 21.848 -8.735 8.128 1.00 73.44 H new ATOM 0 HG22 THR A 8 23.146 -7.522 8.013 1.00 73.44 H new ATOM 0 HG23 THR A 8 21.444 -7.018 7.891 1.00 73.44 H new ATOM 121 N LYS A 9 24.939 -6.147 4.888 1.00 55.22 N ATOM 122 CA LYS A 9 26.218 -6.294 4.205 1.00 44.11 C ATOM 123 C LYS A 9 26.756 -7.713 4.357 1.00 23.11 C ATOM 124 O LYS A 9 27.587 -8.160 3.566 1.00 21.24 O ATOM 125 CB LYS A 9 27.233 -5.290 4.758 1.00 60.53 C ATOM 126 CG LYS A 9 27.413 -5.374 6.264 1.00 73.24 C ATOM 127 CD LYS A 9 28.879 -5.496 6.644 1.00 33.13 C ATOM 128 CE LYS A 9 29.520 -4.130 6.837 1.00 31.54 C ATOM 129 NZ LYS A 9 30.766 -3.984 6.035 1.00 73.22 N ATOM 0 H LYS A 9 24.901 -5.372 5.550 1.00 55.22 H new ATOM 0 HA LYS A 9 26.060 -6.096 3.145 1.00 44.11 H new ATOM 0 HB2 LYS A 9 28.196 -5.457 4.276 1.00 60.53 H new ATOM 0 HB3 LYS A 9 26.915 -4.281 4.494 1.00 60.53 H new ATOM 0 HG2 LYS A 9 26.987 -4.487 6.732 1.00 73.24 H new ATOM 0 HG3 LYS A 9 26.863 -6.233 6.650 1.00 73.24 H new ATOM 0 HD2 LYS A 9 28.971 -6.075 7.563 1.00 33.13 H new ATOM 0 HD3 LYS A 9 29.413 -6.043 5.867 1.00 33.13 H new ATOM 0 HE2 LYS A 9 28.811 -3.353 6.552 1.00 31.54 H new ATOM 0 HE3 LYS A 9 29.748 -3.982 7.893 1.00 31.54 H new ATOM 0 HZ1 LYS A 9 31.172 -3.040 6.194 1.00 73.22 H new ATOM 0 HZ2 LYS A 9 31.452 -4.710 6.325 1.00 73.22 H new ATOM 0 HZ3 LYS A 9 30.545 -4.100 5.025 1.00 73.22 H new ATOM 143 N SER A 10 26.276 -8.417 5.377 1.00 2.13 N ATOM 144 CA SER A 10 26.711 -9.785 5.634 1.00 11.11 C ATOM 145 C SER A 10 26.759 -10.592 4.340 1.00 15.30 C ATOM 146 O SER A 10 27.790 -11.166 3.990 1.00 51.45 O ATOM 147 CB SER A 10 25.773 -10.461 6.636 1.00 72.13 C ATOM 148 OG SER A 10 26.399 -11.575 7.249 1.00 12.32 O ATOM 0 H SER A 10 25.586 -8.063 6.039 1.00 2.13 H new ATOM 0 HA SER A 10 27.715 -9.748 6.056 1.00 11.11 H new ATOM 0 HB2 SER A 10 25.473 -9.743 7.399 1.00 72.13 H new ATOM 0 HB3 SER A 10 24.865 -10.784 6.128 1.00 72.13 H new ATOM 0 HG SER A 10 25.780 -11.989 7.886 1.00 12.32 H new ATOM 154 N LYS A 11 25.634 -10.631 3.633 1.00 21.12 N ATOM 155 CA LYS A 11 25.545 -11.366 2.377 1.00 50.42 C ATOM 156 C LYS A 11 24.461 -10.778 1.479 1.00 44.34 C ATOM 157 O LYS A 11 23.956 -11.448 0.579 1.00 22.45 O ATOM 158 CB LYS A 11 25.253 -12.844 2.646 1.00 51.51 C ATOM 159 CG LYS A 11 26.226 -13.790 1.965 1.00 43.22 C ATOM 160 CD LYS A 11 26.385 -15.083 2.746 1.00 65.42 C ATOM 161 CE LYS A 11 26.100 -16.298 1.876 1.00 30.33 C ATOM 162 NZ LYS A 11 26.860 -17.496 2.330 1.00 42.24 N ATOM 0 H LYS A 11 24.771 -10.162 3.909 1.00 21.12 H new ATOM 0 HA LYS A 11 26.504 -11.279 1.865 1.00 50.42 H new ATOM 0 HB2 LYS A 11 25.280 -13.021 3.721 1.00 51.51 H new ATOM 0 HB3 LYS A 11 24.242 -13.073 2.310 1.00 51.51 H new ATOM 0 HG2 LYS A 11 25.874 -14.013 0.958 1.00 43.22 H new ATOM 0 HG3 LYS A 11 27.196 -13.304 1.863 1.00 43.22 H new ATOM 0 HD2 LYS A 11 27.398 -15.148 3.142 1.00 65.42 H new ATOM 0 HD3 LYS A 11 25.708 -15.079 3.600 1.00 65.42 H new ATOM 0 HE2 LYS A 11 25.032 -16.516 1.896 1.00 30.33 H new ATOM 0 HE3 LYS A 11 26.360 -16.073 0.842 1.00 30.33 H new ATOM 0 HZ1 LYS A 11 26.638 -18.302 1.712 1.00 42.24 H new ATOM 0 HZ2 LYS A 11 27.880 -17.297 2.287 1.00 42.24 H new ATOM 0 HZ3 LYS A 11 26.593 -17.726 3.308 1.00 42.24 H new ATOM 176 N ASN A 12 24.110 -9.520 1.728 1.00 63.32 N ATOM 177 CA ASN A 12 23.087 -8.842 0.940 1.00 21.04 C ATOM 178 C ASN A 12 21.726 -9.505 1.131 1.00 41.41 C ATOM 179 O ASN A 12 21.530 -10.660 0.755 1.00 13.33 O ATOM 180 CB ASN A 12 23.467 -8.848 -0.542 1.00 30.33 C ATOM 181 CG ASN A 12 23.609 -7.449 -1.108 1.00 2.30 C ATOM 182 OD1 ASN A 12 24.447 -6.667 -0.658 1.00 64.30 O ATOM 183 ND2 ASN A 12 22.788 -7.126 -2.100 1.00 41.14 N ATOM 0 H ASN A 12 24.519 -8.950 2.469 1.00 63.32 H new ATOM 0 HA ASN A 12 23.021 -7.811 1.286 1.00 21.04 H new ATOM 0 HB2 ASN A 12 24.406 -9.386 -0.671 1.00 30.33 H new ATOM 0 HB3 ASN A 12 22.708 -9.390 -1.107 1.00 30.33 H new ATOM 0 HD21 ASN A 12 22.837 -6.198 -2.521 1.00 41.14 H new ATOM 0 HD22 ASN A 12 22.109 -7.806 -2.442 1.00 41.14 H new ATOM 190 N GLU A 13 20.790 -8.764 1.716 1.00 1.12 N ATOM 191 CA GLU A 13 19.448 -9.280 1.956 1.00 33.23 C ATOM 192 C GLU A 13 18.571 -8.226 2.627 1.00 23.32 C ATOM 193 O GLU A 13 18.740 -7.922 3.808 1.00 24.14 O ATOM 194 CB GLU A 13 19.509 -10.537 2.826 1.00 32.43 C ATOM 195 CG GLU A 13 18.783 -11.729 2.226 1.00 75.24 C ATOM 196 CD GLU A 13 18.774 -12.933 3.148 1.00 0.30 C ATOM 197 OE1 GLU A 13 19.412 -12.863 4.219 1.00 0.35 O ATOM 198 OE2 GLU A 13 18.130 -13.944 2.799 1.00 63.11 O ATOM 0 H GLU A 13 20.937 -7.805 2.032 1.00 1.12 H new ATOM 0 HA GLU A 13 19.007 -9.535 0.992 1.00 33.23 H new ATOM 0 HB2 GLU A 13 20.553 -10.804 2.991 1.00 32.43 H new ATOM 0 HB3 GLU A 13 19.079 -10.314 3.802 1.00 32.43 H new ATOM 0 HG2 GLU A 13 17.756 -11.445 1.995 1.00 75.24 H new ATOM 0 HG3 GLU A 13 19.258 -12.002 1.283 1.00 75.24 H new ATOM 205 N CYS A 14 17.635 -7.672 1.865 1.00 54.10 N ATOM 206 CA CYS A 14 16.732 -6.651 2.383 1.00 34.40 C ATOM 207 C CYS A 14 15.412 -7.271 2.834 1.00 21.02 C ATOM 208 O CYS A 14 14.636 -7.769 2.019 1.00 72.05 O ATOM 209 CB CYS A 14 16.469 -5.585 1.318 1.00 0.20 C ATOM 210 SG CYS A 14 17.420 -4.049 1.554 1.00 51.13 S ATOM 0 H CYS A 14 17.482 -7.913 0.886 1.00 54.10 H new ATOM 0 HA CYS A 14 17.208 -6.184 3.245 1.00 34.40 H new ATOM 0 HB2 CYS A 14 16.706 -5.999 0.338 1.00 0.20 H new ATOM 0 HB3 CYS A 14 15.406 -5.345 1.314 1.00 0.20 H new ATOM 215 N LYS A 15 15.164 -7.236 4.139 1.00 23.41 N ATOM 216 CA LYS A 15 13.939 -7.792 4.701 1.00 71.32 C ATOM 217 C LYS A 15 12.794 -6.789 4.609 1.00 40.42 C ATOM 218 O LYS A 15 13.010 -5.578 4.675 1.00 60.25 O ATOM 219 CB LYS A 15 14.160 -8.197 6.160 1.00 62.41 C ATOM 220 CG LYS A 15 12.878 -8.550 6.894 1.00 3.44 C ATOM 221 CD LYS A 15 12.291 -7.340 7.602 1.00 32.11 C ATOM 222 CE LYS A 15 12.663 -7.322 9.077 1.00 41.33 C ATOM 223 NZ LYS A 15 11.972 -6.225 9.810 1.00 70.13 N ATOM 0 H LYS A 15 15.796 -6.828 4.828 1.00 23.41 H new ATOM 0 HA LYS A 15 13.672 -8.676 4.122 1.00 71.32 H new ATOM 0 HB2 LYS A 15 14.835 -9.052 6.193 1.00 62.41 H new ATOM 0 HB3 LYS A 15 14.656 -7.380 6.684 1.00 62.41 H new ATOM 0 HG2 LYS A 15 12.150 -8.948 6.187 1.00 3.44 H new ATOM 0 HG3 LYS A 15 13.079 -9.337 7.621 1.00 3.44 H new ATOM 0 HD2 LYS A 15 12.649 -6.428 7.124 1.00 32.11 H new ATOM 0 HD3 LYS A 15 11.206 -7.348 7.499 1.00 32.11 H new ATOM 0 HE2 LYS A 15 12.404 -8.280 9.529 1.00 41.33 H new ATOM 0 HE3 LYS A 15 13.742 -7.203 9.178 1.00 41.33 H new ATOM 0 HZ1 LYS A 15 12.481 -6.024 10.694 1.00 70.13 H new ATOM 0 HZ2 LYS A 15 11.954 -5.370 9.219 1.00 70.13 H new ATOM 0 HZ3 LYS A 15 10.998 -6.514 10.030 1.00 70.13 H new ATOM 237 N TYR A 16 11.577 -7.299 4.458 1.00 11.20 N ATOM 238 CA TYR A 16 10.398 -6.447 4.356 1.00 2.34 C ATOM 239 C TYR A 16 9.121 -7.260 4.540 1.00 55.02 C ATOM 240 O TYR A 16 9.163 -8.428 4.928 1.00 4.41 O ATOM 241 CB TYR A 16 10.373 -5.735 3.003 1.00 51.23 C ATOM 242 CG TYR A 16 9.953 -6.627 1.857 1.00 61.51 C ATOM 243 CD1 TYR A 16 10.758 -7.680 1.440 1.00 64.32 C ATOM 244 CD2 TYR A 16 8.752 -6.418 1.191 1.00 41.24 C ATOM 245 CE1 TYR A 16 10.379 -8.498 0.393 1.00 64.31 C ATOM 246 CE2 TYR A 16 8.364 -7.231 0.144 1.00 64.52 C ATOM 247 CZ TYR A 16 9.181 -8.270 -0.251 1.00 64.15 C ATOM 248 OH TYR A 16 8.799 -9.082 -1.295 1.00 25.02 O ATOM 0 H TYR A 16 11.381 -8.298 4.403 1.00 11.20 H new ATOM 0 HA TYR A 16 10.450 -5.702 5.150 1.00 2.34 H new ATOM 0 HB2 TYR A 16 9.691 -4.887 3.061 1.00 51.23 H new ATOM 0 HB3 TYR A 16 11.365 -5.333 2.795 1.00 51.23 H new ATOM 0 HD1 TYR A 16 11.696 -7.862 1.943 1.00 64.32 H new ATOM 0 HD2 TYR A 16 8.110 -5.605 1.497 1.00 41.24 H new ATOM 0 HE1 TYR A 16 11.017 -9.311 0.081 1.00 64.31 H new ATOM 0 HE2 TYR A 16 7.427 -7.054 -0.362 1.00 64.52 H new ATOM 0 HH TYR A 16 7.930 -8.787 -1.638 1.00 25.02 H new ATOM 258 N LYS A 17 7.983 -6.634 4.257 1.00 60.20 N ATOM 259 CA LYS A 17 6.691 -7.298 4.388 1.00 42.42 C ATOM 260 C LYS A 17 6.023 -7.462 3.026 1.00 4.43 C ATOM 261 O LYS A 17 5.820 -6.487 2.303 1.00 33.43 O ATOM 262 CB LYS A 17 5.778 -6.501 5.323 1.00 62.31 C ATOM 263 CG LYS A 17 5.668 -5.031 4.958 1.00 11.15 C ATOM 264 CD LYS A 17 6.149 -4.138 6.090 1.00 32.32 C ATOM 265 CE LYS A 17 5.337 -2.855 6.171 1.00 14.14 C ATOM 266 NZ LYS A 17 6.186 -1.682 6.516 1.00 4.44 N ATOM 0 H LYS A 17 7.929 -5.668 3.935 1.00 60.20 H new ATOM 0 HA LYS A 17 6.860 -8.288 4.812 1.00 42.42 H new ATOM 0 HB2 LYS A 17 4.783 -6.945 5.311 1.00 62.31 H new ATOM 0 HB3 LYS A 17 6.153 -6.586 6.343 1.00 62.31 H new ATOM 0 HG2 LYS A 17 6.256 -4.833 4.062 1.00 11.15 H new ATOM 0 HG3 LYS A 17 4.632 -4.791 4.719 1.00 11.15 H new ATOM 0 HD2 LYS A 17 6.076 -4.676 7.035 1.00 32.32 H new ATOM 0 HD3 LYS A 17 7.201 -3.895 5.941 1.00 32.32 H new ATOM 0 HE2 LYS A 17 4.843 -2.677 5.216 1.00 14.14 H new ATOM 0 HE3 LYS A 17 4.553 -2.968 6.919 1.00 14.14 H new ATOM 0 HZ1 LYS A 17 5.595 -0.827 6.561 1.00 4.44 H new ATOM 0 HZ2 LYS A 17 6.638 -1.840 7.439 1.00 4.44 H new ATOM 0 HZ3 LYS A 17 6.919 -1.558 5.789 1.00 4.44 H new ATOM 280 N ASN A 18 5.684 -8.700 2.684 1.00 32.21 N ATOM 281 CA ASN A 18 5.038 -8.991 1.409 1.00 32.14 C ATOM 282 C ASN A 18 3.519 -8.945 1.546 1.00 10.21 C ATOM 283 O ASN A 18 2.839 -8.246 0.794 1.00 33.44 O ATOM 284 CB ASN A 18 5.473 -10.365 0.895 1.00 41.30 C ATOM 285 CG ASN A 18 5.407 -11.432 1.970 1.00 23.21 C ATOM 286 OD1 ASN A 18 4.395 -12.116 2.120 1.00 14.15 O ATOM 287 ND2 ASN A 18 6.490 -11.579 2.725 1.00 61.44 N ATOM 0 H ASN A 18 5.846 -9.518 3.271 1.00 32.21 H new ATOM 0 HA ASN A 18 5.344 -8.229 0.693 1.00 32.14 H new ATOM 0 HB2 ASN A 18 4.836 -10.655 0.059 1.00 41.30 H new ATOM 0 HB3 ASN A 18 6.492 -10.301 0.513 1.00 41.30 H new ATOM 0 HD21 ASN A 18 6.505 -12.281 3.465 1.00 61.44 H new ATOM 0 HD22 ASN A 18 7.307 -10.990 2.565 1.00 61.44 H new ATOM 294 N ASP A 19 2.994 -9.693 2.511 1.00 44.43 N ATOM 295 CA ASP A 19 1.556 -9.736 2.748 1.00 62.12 C ATOM 296 C ASP A 19 1.106 -8.538 3.577 1.00 12.34 C ATOM 297 O ASP A 19 0.078 -7.923 3.292 1.00 65.44 O ATOM 298 CB ASP A 19 1.174 -11.036 3.457 1.00 12.14 C ATOM 299 CG ASP A 19 0.732 -12.116 2.489 1.00 5.22 C ATOM 300 OD1 ASP A 19 1.589 -12.921 2.067 1.00 41.21 O ATOM 301 OD2 ASP A 19 -0.470 -12.157 2.154 1.00 3.44 O ATOM 0 H ASP A 19 3.543 -10.277 3.141 1.00 44.43 H new ATOM 0 HA ASP A 19 1.052 -9.696 1.783 1.00 62.12 H new ATOM 0 HB2 ASP A 19 2.026 -11.396 4.034 1.00 12.14 H new ATOM 0 HB3 ASP A 19 0.371 -10.837 4.166 1.00 12.14 H new ATOM 306 N ALA A 20 1.881 -8.212 4.606 1.00 1.24 N ATOM 307 CA ALA A 20 1.563 -7.087 5.477 1.00 55.22 C ATOM 308 C ALA A 20 2.629 -6.905 6.552 1.00 74.32 C ATOM 309 O ALA A 20 3.047 -5.785 6.842 1.00 32.44 O ATOM 310 CB ALA A 20 0.195 -7.284 6.115 1.00 42.35 C ATOM 0 H ALA A 20 2.734 -8.711 4.857 1.00 1.24 H new ATOM 0 HA ALA A 20 1.542 -6.183 4.868 1.00 55.22 H new ATOM 0 HB1 ALA A 20 -0.030 -6.437 6.763 1.00 42.35 H new ATOM 0 HB2 ALA A 20 -0.563 -7.356 5.335 1.00 42.35 H new ATOM 0 HB3 ALA A 20 0.197 -8.201 6.704 1.00 42.35 H new ATOM 316 N GLY A 21 3.064 -8.015 7.140 1.00 24.33 N ATOM 317 CA GLY A 21 4.078 -7.956 8.178 1.00 74.34 C ATOM 318 C GLY A 21 4.987 -9.169 8.169 1.00 10.14 C ATOM 319 O GLY A 21 5.720 -9.412 9.129 1.00 55.13 O ATOM 0 H GLY A 21 2.733 -8.954 6.917 1.00 24.33 H new ATOM 0 HA2 GLY A 21 4.678 -7.055 8.045 1.00 74.34 H new ATOM 0 HA3 GLY A 21 3.593 -7.876 9.151 1.00 74.34 H new ATOM 323 N LYS A 22 4.940 -9.934 7.084 1.00 21.33 N ATOM 324 CA LYS A 22 5.765 -11.129 6.954 1.00 24.31 C ATOM 325 C LYS A 22 7.220 -10.759 6.683 1.00 70.04 C ATOM 326 O LYS A 22 7.580 -10.399 5.561 1.00 31.55 O ATOM 327 CB LYS A 22 5.236 -12.020 5.828 1.00 52.44 C ATOM 328 CG LYS A 22 4.310 -13.123 6.309 1.00 70.32 C ATOM 329 CD LYS A 22 4.965 -14.490 6.195 1.00 51.31 C ATOM 330 CE LYS A 22 5.834 -14.794 7.406 1.00 40.24 C ATOM 331 NZ LYS A 22 6.925 -15.753 7.078 1.00 33.54 N ATOM 0 H LYS A 22 4.339 -9.748 6.281 1.00 21.33 H new ATOM 0 HA LYS A 22 5.717 -11.677 7.895 1.00 24.31 H new ATOM 0 HB2 LYS A 22 4.705 -11.401 5.105 1.00 52.44 H new ATOM 0 HB3 LYS A 22 6.080 -12.469 5.304 1.00 52.44 H new ATOM 0 HG2 LYS A 22 4.030 -12.938 7.346 1.00 70.32 H new ATOM 0 HG3 LYS A 22 3.391 -13.109 5.723 1.00 70.32 H new ATOM 0 HD2 LYS A 22 4.196 -15.256 6.096 1.00 51.31 H new ATOM 0 HD3 LYS A 22 5.572 -14.529 5.291 1.00 51.31 H new ATOM 0 HE2 LYS A 22 6.266 -13.868 7.785 1.00 40.24 H new ATOM 0 HE3 LYS A 22 5.215 -15.206 8.203 1.00 40.24 H new ATOM 0 HZ1 LYS A 22 7.495 -15.935 7.929 1.00 33.54 H new ATOM 0 HZ2 LYS A 22 6.512 -16.646 6.740 1.00 33.54 H new ATOM 0 HZ3 LYS A 22 7.531 -15.349 6.335 1.00 33.54 H new ATOM 345 N ASP A 23 8.051 -10.851 7.715 1.00 44.35 N ATOM 346 CA ASP A 23 9.468 -10.528 7.586 1.00 13.23 C ATOM 347 C ASP A 23 10.157 -11.482 6.616 1.00 51.23 C ATOM 348 O ASP A 23 10.607 -12.561 7.002 1.00 11.04 O ATOM 349 CB ASP A 23 10.152 -10.588 8.953 1.00 62.13 C ATOM 350 CG ASP A 23 9.615 -9.548 9.916 1.00 42.33 C ATOM 351 OD1 ASP A 23 8.992 -9.939 10.925 1.00 53.40 O ATOM 352 OD2 ASP A 23 9.819 -8.343 9.661 1.00 41.53 O ATOM 0 H ASP A 23 7.769 -11.146 8.650 1.00 44.35 H new ATOM 0 HA ASP A 23 9.551 -9.516 7.191 1.00 13.23 H new ATOM 0 HB2 ASP A 23 10.014 -11.581 9.381 1.00 62.13 H new ATOM 0 HB3 ASP A 23 11.225 -10.442 8.826 1.00 62.13 H new ATOM 357 N THR A 24 10.236 -11.077 5.352 1.00 75.44 N ATOM 358 CA THR A 24 10.867 -11.897 4.325 1.00 3.50 C ATOM 359 C THR A 24 12.122 -11.224 3.780 1.00 52.33 C ATOM 360 O THR A 24 12.074 -10.086 3.311 1.00 65.20 O ATOM 361 CB THR A 24 9.902 -12.179 3.159 1.00 52.04 C ATOM 362 OG1 THR A 24 8.749 -12.881 3.636 1.00 31.31 O ATOM 363 CG2 THR A 24 10.587 -12.997 2.075 1.00 63.04 C ATOM 0 H THR A 24 9.871 -10.186 5.015 1.00 75.44 H new ATOM 0 HA THR A 24 11.139 -12.841 4.797 1.00 3.50 H new ATOM 0 HB THR A 24 9.595 -11.224 2.732 1.00 52.04 H new ATOM 0 HG1 THR A 24 8.315 -13.343 2.889 1.00 31.31 H new ATOM 0 HG21 THR A 24 9.885 -13.184 1.262 1.00 63.04 H new ATOM 0 HG22 THR A 24 11.447 -12.447 1.693 1.00 63.04 H new ATOM 0 HG23 THR A 24 10.920 -13.947 2.492 1.00 63.04 H new ATOM 371 N PHE A 25 13.243 -11.933 3.843 1.00 25.53 N ATOM 372 CA PHE A 25 14.512 -11.404 3.356 1.00 72.23 C ATOM 373 C PHE A 25 14.690 -11.701 1.870 1.00 73.14 C ATOM 374 O PHE A 25 14.258 -12.744 1.378 1.00 31.43 O ATOM 375 CB PHE A 25 15.676 -12.000 4.149 1.00 23.23 C ATOM 376 CG PHE A 25 15.793 -11.455 5.544 1.00 53.31 C ATOM 377 CD1 PHE A 25 14.774 -11.645 6.464 1.00 50.34 C ATOM 378 CD2 PHE A 25 16.921 -10.751 5.935 1.00 73.50 C ATOM 379 CE1 PHE A 25 14.878 -11.144 7.748 1.00 70.41 C ATOM 380 CE2 PHE A 25 17.030 -10.249 7.218 1.00 65.31 C ATOM 381 CZ PHE A 25 16.007 -10.445 8.125 1.00 4.11 C ATOM 0 H PHE A 25 13.299 -12.876 4.227 1.00 25.53 H new ATOM 0 HA PHE A 25 14.503 -10.323 3.495 1.00 72.23 H new ATOM 0 HB2 PHE A 25 15.554 -13.082 4.199 1.00 23.23 H new ATOM 0 HB3 PHE A 25 16.606 -11.808 3.613 1.00 23.23 H new ATOM 0 HD1 PHE A 25 13.888 -12.191 6.174 1.00 50.34 H new ATOM 0 HD2 PHE A 25 17.723 -10.593 5.230 1.00 73.50 H new ATOM 0 HE1 PHE A 25 14.077 -11.299 8.455 1.00 70.41 H new ATOM 0 HE2 PHE A 25 17.915 -9.704 7.511 1.00 65.31 H new ATOM 0 HZ PHE A 25 16.090 -10.052 9.128 1.00 4.11 H new ATOM 391 N ILE A 26 15.327 -10.776 1.160 1.00 64.31 N ATOM 392 CA ILE A 26 15.563 -10.939 -0.269 1.00 51.33 C ATOM 393 C ILE A 26 16.687 -10.027 -0.748 1.00 45.12 C ATOM 394 O ILE A 26 16.715 -8.837 -0.432 1.00 21.43 O ATOM 395 CB ILE A 26 14.292 -10.640 -1.087 1.00 21.43 C ATOM 396 CG1 ILE A 26 14.572 -10.802 -2.582 1.00 73.23 C ATOM 397 CG2 ILE A 26 13.786 -9.238 -0.786 1.00 12.33 C ATOM 398 CD1 ILE A 26 15.014 -12.197 -2.967 1.00 3.41 C ATOM 0 H ILE A 26 15.689 -9.906 1.551 1.00 64.31 H new ATOM 0 HA ILE A 26 15.850 -11.979 -0.425 1.00 51.33 H new ATOM 0 HB ILE A 26 13.518 -11.353 -0.802 1.00 21.43 H new ATOM 0 HG12 ILE A 26 13.672 -10.548 -3.142 1.00 73.23 H new ATOM 0 HG13 ILE A 26 15.343 -10.091 -2.878 1.00 73.23 H new ATOM 0 HG21 ILE A 26 12.888 -9.042 -1.372 1.00 12.33 H new ATOM 0 HG22 ILE A 26 13.552 -9.156 0.275 1.00 12.33 H new ATOM 0 HG23 ILE A 26 14.555 -8.510 -1.046 1.00 12.33 H new ATOM 0 HD11 ILE A 26 15.195 -12.238 -4.041 1.00 3.41 H new ATOM 0 HD12 ILE A 26 15.932 -12.448 -2.435 1.00 3.41 H new ATOM 0 HD13 ILE A 26 14.235 -12.912 -2.703 1.00 3.41 H new ATOM 410 N LYS A 27 17.614 -10.592 -1.515 1.00 52.01 N ATOM 411 CA LYS A 27 18.740 -9.831 -2.042 1.00 3.32 C ATOM 412 C LYS A 27 18.256 -8.623 -2.839 1.00 22.55 C ATOM 413 O LYS A 27 17.053 -8.389 -2.961 1.00 65.41 O ATOM 414 CB LYS A 27 19.615 -10.722 -2.927 1.00 3.54 C ATOM 415 CG LYS A 27 18.998 -11.028 -4.280 1.00 70.41 C ATOM 416 CD LYS A 27 19.657 -12.231 -4.934 1.00 23.21 C ATOM 417 CE LYS A 27 19.993 -11.959 -6.392 1.00 54.32 C ATOM 418 NZ LYS A 27 19.942 -13.199 -7.214 1.00 74.42 N ATOM 0 H LYS A 27 17.607 -11.575 -1.785 1.00 52.01 H new ATOM 0 HA LYS A 27 19.331 -9.474 -1.199 1.00 3.32 H new ATOM 0 HB2 LYS A 27 20.579 -10.235 -3.078 1.00 3.54 H new ATOM 0 HB3 LYS A 27 19.809 -11.659 -2.405 1.00 3.54 H new ATOM 0 HG2 LYS A 27 17.931 -11.217 -4.160 1.00 70.41 H new ATOM 0 HG3 LYS A 27 19.097 -10.159 -4.931 1.00 70.41 H new ATOM 0 HD2 LYS A 27 20.567 -12.488 -4.392 1.00 23.21 H new ATOM 0 HD3 LYS A 27 18.992 -13.092 -4.867 1.00 23.21 H new ATOM 0 HE2 LYS A 27 19.293 -11.227 -6.795 1.00 54.32 H new ATOM 0 HE3 LYS A 27 20.988 -11.519 -6.459 1.00 54.32 H new ATOM 0 HZ1 LYS A 27 20.177 -12.971 -8.201 1.00 74.42 H new ATOM 0 HZ2 LYS A 27 20.628 -13.888 -6.845 1.00 74.42 H new ATOM 0 HZ3 LYS A 27 18.986 -13.605 -7.171 1.00 74.42 H new ATOM 432 N CYS A 28 19.200 -7.860 -3.380 1.00 31.42 N ATOM 433 CA CYS A 28 18.870 -6.678 -4.166 1.00 2.21 C ATOM 434 C CYS A 28 19.194 -6.897 -5.641 1.00 24.32 C ATOM 435 O CYS A 28 20.233 -6.469 -6.144 1.00 63.52 O ATOM 436 CB CYS A 28 19.634 -5.461 -3.640 1.00 42.12 C ATOM 437 SG CYS A 28 19.780 -5.402 -1.825 1.00 42.13 S ATOM 0 H CYS A 28 20.200 -8.040 -3.288 1.00 31.42 H new ATOM 0 HA CYS A 28 17.799 -6.496 -4.071 1.00 2.21 H new ATOM 0 HB2 CYS A 28 20.634 -5.457 -4.075 1.00 42.12 H new ATOM 0 HB3 CYS A 28 19.134 -4.555 -3.983 1.00 42.12 H new ATOM 442 N PRO A 29 18.284 -7.580 -6.351 1.00 64.23 N ATOM 443 CA PRO A 29 18.450 -7.872 -7.778 1.00 43.53 C ATOM 444 C PRO A 29 18.331 -6.621 -8.643 1.00 31.20 C ATOM 445 O PRO A 29 18.769 -6.605 -9.794 1.00 33.14 O ATOM 446 CB PRO A 29 17.304 -8.840 -8.078 1.00 72.51 C ATOM 447 CG PRO A 29 16.270 -8.534 -7.050 1.00 41.22 C ATOM 448 CD PRO A 29 17.023 -8.120 -5.816 1.00 41.12 C ATOM 0 HA PRO A 29 19.437 -8.278 -7.999 1.00 43.53 H new ATOM 0 HB2 PRO A 29 16.916 -8.693 -9.086 1.00 72.51 H new ATOM 0 HB3 PRO A 29 17.634 -9.877 -8.011 1.00 72.51 H new ATOM 0 HG2 PRO A 29 15.607 -7.738 -7.388 1.00 41.22 H new ATOM 0 HG3 PRO A 29 15.646 -9.406 -6.852 1.00 41.22 H new ATOM 0 HD2 PRO A 29 16.476 -7.371 -5.244 1.00 41.12 H new ATOM 0 HD3 PRO A 29 17.198 -8.965 -5.150 1.00 41.12 H new ATOM 456 N LYS A 30 17.736 -5.574 -8.082 1.00 30.02 N ATOM 457 CA LYS A 30 17.560 -4.317 -8.800 1.00 61.52 C ATOM 458 C LYS A 30 18.879 -3.848 -9.406 1.00 0.23 C ATOM 459 O LYS A 30 19.006 -3.728 -10.624 1.00 64.35 O ATOM 460 CB LYS A 30 17.006 -3.243 -7.862 1.00 1.11 C ATOM 461 CG LYS A 30 15.748 -2.571 -8.383 1.00 15.13 C ATOM 462 CD LYS A 30 16.067 -1.542 -9.454 1.00 43.20 C ATOM 463 CE LYS A 30 15.048 -0.413 -9.464 1.00 43.32 C ATOM 464 NZ LYS A 30 13.885 -0.723 -10.341 1.00 21.33 N ATOM 0 H LYS A 30 17.367 -5.571 -7.131 1.00 30.02 H new ATOM 0 HA LYS A 30 16.849 -4.485 -9.608 1.00 61.52 H new ATOM 0 HB2 LYS A 30 16.792 -3.694 -6.893 1.00 1.11 H new ATOM 0 HB3 LYS A 30 17.772 -2.485 -7.699 1.00 1.11 H new ATOM 0 HG2 LYS A 30 15.074 -3.325 -8.791 1.00 15.13 H new ATOM 0 HG3 LYS A 30 15.224 -2.088 -7.558 1.00 15.13 H new ATOM 0 HD2 LYS A 30 17.063 -1.133 -9.282 1.00 43.20 H new ATOM 0 HD3 LYS A 30 16.085 -2.026 -10.431 1.00 43.20 H new ATOM 0 HE2 LYS A 30 14.698 -0.231 -8.448 1.00 43.32 H new ATOM 0 HE3 LYS A 30 15.526 0.505 -9.806 1.00 43.32 H new ATOM 0 HZ1 LYS A 30 13.035 -0.251 -9.971 1.00 21.33 H new ATOM 0 HZ2 LYS A 30 14.077 -0.384 -11.305 1.00 21.33 H new ATOM 0 HZ3 LYS A 30 13.729 -1.751 -10.360 1.00 21.33 H new ATOM 478 N PHE A 31 19.858 -3.584 -8.547 1.00 64.11 N ATOM 479 CA PHE A 31 21.168 -3.128 -8.998 1.00 1.02 C ATOM 480 C PHE A 31 22.210 -4.232 -8.846 1.00 63.24 C ATOM 481 O PHE A 31 22.107 -5.080 -7.960 1.00 63.41 O ATOM 482 CB PHE A 31 21.601 -1.891 -8.208 1.00 34.12 C ATOM 483 CG PHE A 31 20.452 -1.126 -7.615 1.00 73.15 C ATOM 484 CD1 PHE A 31 19.931 -1.478 -6.381 1.00 1.03 C ATOM 485 CD2 PHE A 31 19.892 -0.055 -8.294 1.00 20.41 C ATOM 486 CE1 PHE A 31 18.874 -0.776 -5.833 1.00 1.15 C ATOM 487 CE2 PHE A 31 18.835 0.651 -7.751 1.00 24.43 C ATOM 488 CZ PHE A 31 18.325 0.289 -6.519 1.00 50.21 C ATOM 0 H PHE A 31 19.769 -3.678 -7.535 1.00 64.11 H new ATOM 0 HA PHE A 31 21.091 -2.868 -10.054 1.00 1.02 H new ATOM 0 HB2 PHE A 31 22.274 -2.198 -7.408 1.00 34.12 H new ATOM 0 HB3 PHE A 31 22.167 -1.230 -8.865 1.00 34.12 H new ATOM 0 HD1 PHE A 31 20.356 -2.311 -5.840 1.00 1.03 H new ATOM 0 HD2 PHE A 31 20.286 0.231 -9.258 1.00 20.41 H new ATOM 0 HE1 PHE A 31 18.478 -1.060 -4.869 1.00 1.15 H new ATOM 0 HE2 PHE A 31 18.408 1.485 -8.289 1.00 24.43 H new ATOM 0 HZ PHE A 31 17.498 0.838 -6.093 1.00 50.21 H new ATOM 498 N ASP A 32 23.213 -4.215 -9.718 1.00 14.30 N ATOM 499 CA ASP A 32 24.275 -5.213 -9.682 1.00 73.40 C ATOM 500 C ASP A 32 25.546 -4.633 -9.071 1.00 43.35 C ATOM 501 O ASP A 32 26.352 -5.355 -8.486 1.00 74.54 O ATOM 502 CB ASP A 32 24.562 -5.734 -11.091 1.00 43.01 C ATOM 503 CG ASP A 32 25.336 -7.038 -11.080 1.00 3.50 C ATOM 504 OD1 ASP A 32 25.271 -7.758 -10.062 1.00 32.21 O ATOM 505 OD2 ASP A 32 26.007 -7.338 -12.090 1.00 12.54 O ATOM 0 H ASP A 32 23.312 -3.521 -10.458 1.00 14.30 H new ATOM 0 HA ASP A 32 23.940 -6.042 -9.058 1.00 73.40 H new ATOM 0 HB2 ASP A 32 23.620 -5.878 -11.621 1.00 43.01 H new ATOM 0 HB3 ASP A 32 25.127 -4.984 -11.644 1.00 43.01 H new ATOM 510 N ASN A 33 25.720 -3.323 -9.213 1.00 50.43 N ATOM 511 CA ASN A 33 26.895 -2.645 -8.677 1.00 53.21 C ATOM 512 C ASN A 33 26.494 -1.605 -7.635 1.00 25.34 C ATOM 513 O ASN A 33 27.340 -1.075 -6.914 1.00 40.40 O ATOM 514 CB ASN A 33 27.682 -1.975 -9.805 1.00 61.22 C ATOM 515 CG ASN A 33 29.153 -1.818 -9.470 1.00 33.42 C ATOM 516 OD1 ASN A 33 29.707 -0.722 -9.555 1.00 32.31 O ATOM 517 ND2 ASN A 33 29.792 -2.917 -9.086 1.00 63.11 N ATOM 0 H ASN A 33 25.062 -2.710 -9.695 1.00 50.43 H new ATOM 0 HA ASN A 33 27.527 -3.392 -8.196 1.00 53.21 H new ATOM 0 HB2 ASN A 33 27.581 -2.566 -10.716 1.00 61.22 H new ATOM 0 HB3 ASN A 33 27.253 -0.995 -10.011 1.00 61.22 H new ATOM 0 HD21 ASN A 33 30.783 -2.874 -8.847 1.00 63.11 H new ATOM 0 HD22 ASN A 33 29.292 -3.804 -9.030 1.00 63.11 H new ATOM 524 N LYS A 34 25.199 -1.319 -7.559 1.00 61.34 N ATOM 525 CA LYS A 34 24.684 -0.345 -6.604 1.00 64.14 C ATOM 526 C LYS A 34 23.750 -1.010 -5.599 1.00 73.21 C ATOM 527 O LYS A 34 22.936 -0.345 -4.958 1.00 21.04 O ATOM 528 CB LYS A 34 23.947 0.778 -7.337 1.00 73.44 C ATOM 529 CG LYS A 34 24.855 1.648 -8.188 1.00 42.30 C ATOM 530 CD LYS A 34 24.869 1.191 -9.637 1.00 51.00 C ATOM 531 CE LYS A 34 23.538 1.465 -10.321 1.00 20.04 C ATOM 532 NZ LYS A 34 23.630 1.305 -11.798 1.00 61.12 N ATOM 0 H LYS A 34 24.486 -1.749 -8.148 1.00 61.34 H new ATOM 0 HA LYS A 34 25.530 0.078 -6.062 1.00 64.14 H new ATOM 0 HB2 LYS A 34 23.177 0.341 -7.972 1.00 73.44 H new ATOM 0 HB3 LYS A 34 23.438 1.405 -6.605 1.00 73.44 H new ATOM 0 HG2 LYS A 34 24.521 2.684 -8.136 1.00 42.30 H new ATOM 0 HG3 LYS A 34 25.868 1.619 -7.787 1.00 42.30 H new ATOM 0 HD2 LYS A 34 25.667 1.704 -10.174 1.00 51.00 H new ATOM 0 HD3 LYS A 34 25.089 0.124 -9.681 1.00 51.00 H new ATOM 0 HE2 LYS A 34 22.781 0.785 -9.929 1.00 20.04 H new ATOM 0 HE3 LYS A 34 23.210 2.477 -10.085 1.00 20.04 H new ATOM 0 HZ1 LYS A 34 22.703 1.500 -12.227 1.00 61.12 H new ATOM 0 HZ2 LYS A 34 24.334 1.971 -12.176 1.00 61.12 H new ATOM 0 HZ3 LYS A 34 23.918 0.332 -12.024 1.00 61.12 H new ATOM 546 N LYS A 35 23.872 -2.326 -5.465 1.00 61.43 N ATOM 547 CA LYS A 35 23.041 -3.082 -4.536 1.00 74.10 C ATOM 548 C LYS A 35 23.420 -2.773 -3.091 1.00 62.13 C ATOM 549 O LYS A 35 24.249 -1.901 -2.829 1.00 50.25 O ATOM 550 CB LYS A 35 23.178 -4.583 -4.801 1.00 25.12 C ATOM 551 CG LYS A 35 24.612 -5.082 -4.739 1.00 74.51 C ATOM 552 CD LYS A 35 24.870 -6.165 -5.774 1.00 10.04 C ATOM 553 CE LYS A 35 26.286 -6.711 -5.667 1.00 53.25 C ATOM 554 NZ LYS A 35 26.322 -8.191 -5.823 1.00 23.45 N ATOM 0 H LYS A 35 24.540 -2.892 -5.989 1.00 61.43 H new ATOM 0 HA LYS A 35 22.004 -2.785 -4.692 1.00 74.10 H new ATOM 0 HB2 LYS A 35 22.580 -5.129 -4.071 1.00 25.12 H new ATOM 0 HB3 LYS A 35 22.765 -4.809 -5.784 1.00 25.12 H new ATOM 0 HG2 LYS A 35 25.296 -4.249 -4.904 1.00 74.51 H new ATOM 0 HG3 LYS A 35 24.820 -5.472 -3.743 1.00 74.51 H new ATOM 0 HD2 LYS A 35 24.155 -6.976 -5.639 1.00 10.04 H new ATOM 0 HD3 LYS A 35 24.709 -5.761 -6.773 1.00 10.04 H new ATOM 0 HE2 LYS A 35 26.912 -6.250 -6.431 1.00 53.25 H new ATOM 0 HE3 LYS A 35 26.709 -6.437 -4.700 1.00 53.25 H new ATOM 0 HZ1 LYS A 35 27.304 -8.525 -5.744 1.00 23.45 H new ATOM 0 HZ2 LYS A 35 25.745 -8.633 -5.079 1.00 23.45 H new ATOM 0 HZ3 LYS A 35 25.942 -8.451 -6.756 1.00 23.45 H new ATOM 568 N CYS A 36 22.810 -3.494 -2.157 1.00 21.32 N ATOM 569 CA CYS A 36 23.084 -3.298 -0.738 1.00 64.45 C ATOM 570 C CYS A 36 24.578 -3.423 -0.451 1.00 31.30 C ATOM 571 O CYS A 36 25.270 -4.251 -1.045 1.00 55.04 O ATOM 572 CB CYS A 36 22.306 -4.316 0.098 1.00 10.42 C ATOM 573 SG CYS A 36 20.522 -4.370 -0.268 1.00 2.34 S ATOM 0 H CYS A 36 22.122 -4.220 -2.357 1.00 21.32 H new ATOM 0 HA CYS A 36 22.762 -2.293 -0.466 1.00 64.45 H new ATOM 0 HB2 CYS A 36 22.730 -5.306 -0.068 1.00 10.42 H new ATOM 0 HB3 CYS A 36 22.443 -4.083 1.154 1.00 10.42 H new ATOM 578 N THR A 37 25.070 -2.595 0.466 1.00 72.44 N ATOM 579 CA THR A 37 26.480 -2.612 0.832 1.00 43.21 C ATOM 580 C THR A 37 26.681 -2.139 2.267 1.00 2.40 C ATOM 581 O THR A 37 27.780 -1.739 2.652 1.00 1.41 O ATOM 582 CB THR A 37 27.316 -1.725 -0.111 1.00 31.24 C ATOM 583 OG1 THR A 37 26.592 -0.532 -0.430 1.00 50.25 O ATOM 584 CG2 THR A 37 27.663 -2.472 -1.390 1.00 2.14 C ATOM 0 H THR A 37 24.512 -1.905 0.968 1.00 72.44 H new ATOM 0 HA THR A 37 26.818 -3.644 0.742 1.00 43.21 H new ATOM 0 HB THR A 37 28.242 -1.462 0.399 1.00 31.24 H new ATOM 0 HG1 THR A 37 27.130 0.027 -1.028 1.00 50.25 H new ATOM 0 HG21 THR A 37 28.253 -1.826 -2.040 1.00 2.14 H new ATOM 0 HG22 THR A 37 28.239 -3.364 -1.145 1.00 2.14 H new ATOM 0 HG23 THR A 37 26.746 -2.762 -1.902 1.00 2.14 H new ATOM 592 N LYS A 38 25.613 -2.187 3.056 1.00 62.10 N ATOM 593 CA LYS A 38 25.672 -1.765 4.450 1.00 33.35 C ATOM 594 C LYS A 38 24.771 -2.636 5.321 1.00 71.15 C ATOM 595 O LYS A 38 23.930 -3.378 4.812 1.00 13.43 O ATOM 596 CB LYS A 38 25.258 -0.298 4.579 1.00 50.54 C ATOM 597 CG LYS A 38 26.154 0.508 5.503 1.00 11.50 C ATOM 598 CD LYS A 38 25.567 0.608 6.901 1.00 25.43 C ATOM 599 CE LYS A 38 26.625 0.367 7.968 1.00 70.54 C ATOM 600 NZ LYS A 38 26.155 0.781 9.319 1.00 71.25 N ATOM 0 H LYS A 38 24.696 -2.514 2.753 1.00 62.10 H new ATOM 0 HA LYS A 38 26.700 -1.878 4.794 1.00 33.35 H new ATOM 0 HB2 LYS A 38 25.264 0.161 3.590 1.00 50.54 H new ATOM 0 HB3 LYS A 38 24.233 -0.249 4.947 1.00 50.54 H new ATOM 0 HG2 LYS A 38 27.139 0.043 5.553 1.00 11.50 H new ATOM 0 HG3 LYS A 38 26.294 1.508 5.094 1.00 11.50 H new ATOM 0 HD2 LYS A 38 25.125 1.594 7.042 1.00 25.43 H new ATOM 0 HD3 LYS A 38 24.764 -0.120 7.013 1.00 25.43 H new ATOM 0 HE2 LYS A 38 26.890 -0.690 7.984 1.00 70.54 H new ATOM 0 HE3 LYS A 38 27.530 0.919 7.713 1.00 70.54 H new ATOM 0 HZ1 LYS A 38 26.933 1.244 9.830 1.00 71.25 H new ATOM 0 HZ2 LYS A 38 25.361 1.445 9.222 1.00 71.25 H new ATOM 0 HZ3 LYS A 38 25.842 -0.057 9.850 1.00 71.25 H new ATOM 614 N ASP A 39 24.952 -2.540 6.633 1.00 32.11 N ATOM 615 CA ASP A 39 24.153 -3.317 7.574 1.00 64.31 C ATOM 616 C ASP A 39 23.022 -2.473 8.154 1.00 65.55 C ATOM 617 O ASP A 39 23.263 -1.449 8.790 1.00 2.30 O ATOM 618 CB ASP A 39 25.035 -3.855 8.702 1.00 4.50 C ATOM 619 CG ASP A 39 25.996 -2.809 9.233 1.00 25.33 C ATOM 620 OD1 ASP A 39 27.194 -2.872 8.884 1.00 0.30 O ATOM 621 OD2 ASP A 39 25.551 -1.928 9.998 1.00 71.32 O ATOM 0 H ASP A 39 25.645 -1.932 7.070 1.00 32.11 H new ATOM 0 HA ASP A 39 23.715 -4.156 7.034 1.00 64.31 H new ATOM 0 HB2 ASP A 39 24.403 -4.210 9.516 1.00 4.50 H new ATOM 0 HB3 ASP A 39 25.601 -4.713 8.340 1.00 4.50 H new ATOM 626 N ASN A 40 21.788 -2.912 7.927 1.00 2.34 N ATOM 627 CA ASN A 40 20.620 -2.196 8.426 1.00 54.42 C ATOM 628 C ASN A 40 20.507 -0.819 7.777 1.00 25.22 C ATOM 629 O ASN A 40 20.259 0.178 8.453 1.00 12.10 O ATOM 630 CB ASN A 40 20.695 -2.050 9.947 1.00 22.21 C ATOM 631 CG ASN A 40 21.139 -3.330 10.629 1.00 70.02 C ATOM 632 OD1 ASN A 40 22.334 -3.590 10.769 1.00 42.40 O ATOM 633 ND2 ASN A 40 20.175 -4.137 11.056 1.00 21.34 N ATOM 0 H ASN A 40 21.572 -3.759 7.401 1.00 2.34 H new ATOM 0 HA ASN A 40 19.733 -2.775 8.167 1.00 54.42 H new ATOM 0 HB2 ASN A 40 21.389 -1.248 10.199 1.00 22.21 H new ATOM 0 HB3 ASN A 40 19.717 -1.758 10.330 1.00 22.21 H new ATOM 0 HD21 ASN A 40 20.412 -5.013 11.522 1.00 21.34 H new ATOM 0 HD22 ASN A 40 19.197 -3.881 10.918 1.00 21.34 H new ATOM 640 N ASN A 41 20.692 -0.774 6.462 1.00 62.23 N ATOM 641 CA ASN A 41 20.612 0.480 5.721 1.00 33.41 C ATOM 642 C ASN A 41 19.169 0.791 5.334 1.00 2.22 C ATOM 643 O ASN A 41 18.242 0.085 5.730 1.00 32.21 O ATOM 644 CB ASN A 41 21.485 0.412 4.466 1.00 32.25 C ATOM 645 CG ASN A 41 21.274 -0.870 3.684 1.00 61.10 C ATOM 646 OD1 ASN A 41 20.152 -1.365 3.573 1.00 64.23 O ATOM 647 ND2 ASN A 41 22.355 -1.414 3.137 1.00 3.05 N ATOM 0 H ASN A 41 20.898 -1.591 5.887 1.00 62.23 H new ATOM 0 HA ASN A 41 20.977 1.279 6.366 1.00 33.41 H new ATOM 0 HB2 ASN A 41 21.263 1.266 3.826 1.00 32.25 H new ATOM 0 HB3 ASN A 41 22.534 0.492 4.752 1.00 32.25 H new ATOM 0 HD21 ASN A 41 22.275 -2.277 2.599 1.00 3.05 H new ATOM 0 HD22 ASN A 41 23.265 -0.969 3.255 1.00 3.05 H new ATOM 654 N LYS A 42 18.987 1.854 4.557 1.00 22.43 N ATOM 655 CA LYS A 42 17.659 2.259 4.114 1.00 12.40 C ATOM 656 C LYS A 42 17.351 1.695 2.731 1.00 73.11 C ATOM 657 O LYS A 42 17.951 2.101 1.735 1.00 12.44 O ATOM 658 CB LYS A 42 17.551 3.786 4.089 1.00 20.31 C ATOM 659 CG LYS A 42 16.120 4.295 4.099 1.00 30.35 C ATOM 660 CD LYS A 42 15.870 5.231 5.270 1.00 54.13 C ATOM 661 CE LYS A 42 14.852 6.305 4.917 1.00 72.25 C ATOM 662 NZ LYS A 42 14.580 7.211 6.066 1.00 2.34 N ATOM 0 H LYS A 42 19.743 2.450 4.221 1.00 22.43 H new ATOM 0 HA LYS A 42 16.931 1.860 4.820 1.00 12.40 H new ATOM 0 HB2 LYS A 42 18.079 4.193 4.951 1.00 20.31 H new ATOM 0 HB3 LYS A 42 18.056 4.163 3.199 1.00 20.31 H new ATOM 0 HG2 LYS A 42 15.911 4.816 3.165 1.00 30.35 H new ATOM 0 HG3 LYS A 42 15.433 3.451 4.154 1.00 30.35 H new ATOM 0 HD2 LYS A 42 15.514 4.658 6.126 1.00 54.13 H new ATOM 0 HD3 LYS A 42 16.807 5.701 5.569 1.00 54.13 H new ATOM 0 HE2 LYS A 42 15.219 6.889 4.073 1.00 72.25 H new ATOM 0 HE3 LYS A 42 13.922 5.833 4.599 1.00 72.25 H new ATOM 0 HZ1 LYS A 42 13.882 7.928 5.785 1.00 2.34 H new ATOM 0 HZ2 LYS A 42 14.206 6.658 6.863 1.00 2.34 H new ATOM 0 HZ3 LYS A 42 15.462 7.681 6.354 1.00 2.34 H new ATOM 676 N CYS A 43 16.411 0.757 2.675 1.00 30.05 N ATOM 677 CA CYS A 43 16.022 0.137 1.415 1.00 51.14 C ATOM 678 C CYS A 43 14.528 -0.174 1.400 1.00 61.14 C ATOM 679 O CYS A 43 13.951 -0.555 2.419 1.00 51.32 O ATOM 680 CB CYS A 43 16.824 -1.145 1.184 1.00 34.40 C ATOM 681 SG CYS A 43 16.283 -2.554 2.206 1.00 45.34 S ATOM 0 H CYS A 43 15.904 0.410 3.489 1.00 30.05 H new ATOM 0 HA CYS A 43 16.236 0.841 0.611 1.00 51.14 H new ATOM 0 HB2 CYS A 43 16.750 -1.423 0.133 1.00 34.40 H new ATOM 0 HB3 CYS A 43 17.876 -0.945 1.388 1.00 34.40 H new ATOM 686 N THR A 44 13.907 -0.010 0.236 1.00 54.21 N ATOM 687 CA THR A 44 12.481 -0.272 0.087 1.00 13.13 C ATOM 688 C THR A 44 12.224 -1.324 -0.985 1.00 71.41 C ATOM 689 O THR A 44 12.706 -1.208 -2.112 1.00 10.31 O ATOM 690 CB THR A 44 11.708 1.011 -0.273 1.00 43.14 C ATOM 691 OG1 THR A 44 12.454 1.782 -1.222 1.00 63.20 O ATOM 692 CG2 THR A 44 11.440 1.848 0.968 1.00 35.02 C ATOM 0 H THR A 44 14.370 0.303 -0.617 1.00 54.21 H new ATOM 0 HA THR A 44 12.126 -0.643 1.049 1.00 13.13 H new ATOM 0 HB THR A 44 10.752 0.722 -0.710 1.00 43.14 H new ATOM 0 HG1 THR A 44 11.955 2.595 -1.447 1.00 63.20 H new ATOM 0 HG21 THR A 44 10.893 2.749 0.688 1.00 35.02 H new ATOM 0 HG22 THR A 44 10.848 1.269 1.676 1.00 35.02 H new ATOM 0 HG23 THR A 44 12.387 2.127 1.430 1.00 35.02 H new ATOM 700 N VAL A 45 11.461 -2.353 -0.628 1.00 52.40 N ATOM 701 CA VAL A 45 11.138 -3.426 -1.561 1.00 42.40 C ATOM 702 C VAL A 45 9.849 -3.127 -2.318 1.00 41.40 C ATOM 703 O VAL A 45 8.908 -2.559 -1.762 1.00 62.55 O ATOM 704 CB VAL A 45 10.993 -4.776 -0.835 1.00 13.03 C ATOM 705 CG1 VAL A 45 10.608 -5.872 -1.817 1.00 11.02 C ATOM 706 CG2 VAL A 45 12.280 -5.130 -0.106 1.00 1.13 C ATOM 0 H VAL A 45 11.055 -2.466 0.301 1.00 52.40 H new ATOM 0 HA VAL A 45 11.965 -3.490 -2.269 1.00 42.40 H new ATOM 0 HB VAL A 45 10.197 -4.687 -0.096 1.00 13.03 H new ATOM 0 HG11 VAL A 45 10.510 -6.819 -1.286 1.00 11.02 H new ATOM 0 HG12 VAL A 45 9.658 -5.621 -2.289 1.00 11.02 H new ATOM 0 HG13 VAL A 45 11.380 -5.963 -2.581 1.00 11.02 H new ATOM 0 HG21 VAL A 45 12.159 -6.087 0.401 1.00 1.13 H new ATOM 0 HG22 VAL A 45 13.097 -5.200 -0.824 1.00 1.13 H new ATOM 0 HG23 VAL A 45 12.507 -4.357 0.628 1.00 1.13 H new ATOM 716 N ASP A 46 9.813 -3.512 -3.589 1.00 30.13 N ATOM 717 CA ASP A 46 8.638 -3.287 -4.423 1.00 2.01 C ATOM 718 C ASP A 46 7.993 -4.611 -4.822 1.00 2.43 C ATOM 719 O ASP A 46 8.633 -5.466 -5.435 1.00 33.24 O ATOM 720 CB ASP A 46 9.019 -2.494 -5.674 1.00 10.42 C ATOM 721 CG ASP A 46 8.272 -1.178 -5.775 1.00 74.41 C ATOM 722 OD1 ASP A 46 8.909 -0.158 -6.112 1.00 35.04 O ATOM 723 OD2 ASP A 46 7.050 -1.170 -5.519 1.00 13.44 O ATOM 0 H ASP A 46 10.584 -3.981 -4.064 1.00 30.13 H new ATOM 0 HA ASP A 46 7.916 -2.712 -3.843 1.00 2.01 H new ATOM 0 HB2 ASP A 46 10.092 -2.300 -5.665 1.00 10.42 H new ATOM 0 HB3 ASP A 46 8.811 -3.095 -6.559 1.00 10.42 H new ATOM 728 N THR A 47 6.722 -4.774 -4.469 1.00 53.30 N ATOM 729 CA THR A 47 5.991 -5.993 -4.788 1.00 35.42 C ATOM 730 C THR A 47 5.268 -5.868 -6.124 1.00 14.21 C ATOM 731 O THR A 47 4.106 -6.257 -6.251 1.00 43.24 O ATOM 732 CB THR A 47 4.964 -6.336 -3.692 1.00 11.34 C ATOM 733 OG1 THR A 47 4.303 -7.567 -4.006 1.00 44.41 O ATOM 734 CG2 THR A 47 3.935 -5.224 -3.548 1.00 71.50 C ATOM 0 H THR A 47 6.178 -4.076 -3.962 1.00 53.30 H new ATOM 0 HA THR A 47 6.727 -6.795 -4.850 1.00 35.42 H new ATOM 0 HB THR A 47 5.497 -6.442 -2.747 1.00 11.34 H new ATOM 0 HG1 THR A 47 3.989 -7.542 -4.934 1.00 44.41 H new ATOM 0 HG21 THR A 47 3.220 -5.488 -2.769 1.00 71.50 H new ATOM 0 HG22 THR A 47 4.438 -4.295 -3.279 1.00 71.50 H new ATOM 0 HG23 THR A 47 3.408 -5.091 -4.493 1.00 71.50 H new ATOM 742 N TYR A 48 5.961 -5.323 -7.117 1.00 60.44 N ATOM 743 CA TYR A 48 5.384 -5.145 -8.444 1.00 72.15 C ATOM 744 C TYR A 48 6.176 -5.922 -9.492 1.00 35.22 C ATOM 745 O TYR A 48 5.619 -6.394 -10.482 1.00 62.13 O ATOM 746 CB TYR A 48 5.349 -3.661 -8.813 1.00 73.01 C ATOM 747 CG TYR A 48 4.248 -3.305 -9.787 1.00 0.13 C ATOM 748 CD1 TYR A 48 2.923 -3.238 -9.373 1.00 41.23 C ATOM 749 CD2 TYR A 48 4.533 -3.037 -11.120 1.00 15.51 C ATOM 750 CE1 TYR A 48 1.914 -2.913 -10.259 1.00 71.53 C ATOM 751 CE2 TYR A 48 3.530 -2.710 -12.012 1.00 41.05 C ATOM 752 CZ TYR A 48 2.223 -2.650 -11.578 1.00 15.04 C ATOM 753 OH TYR A 48 1.221 -2.326 -12.464 1.00 31.50 O ATOM 0 H TYR A 48 6.923 -4.997 -7.028 1.00 60.44 H new ATOM 0 HA TYR A 48 4.365 -5.532 -8.424 1.00 72.15 H new ATOM 0 HB2 TYR A 48 5.223 -3.072 -7.904 1.00 73.01 H new ATOM 0 HB3 TYR A 48 6.310 -3.380 -9.245 1.00 73.01 H new ATOM 0 HD1 TYR A 48 2.678 -3.443 -8.341 1.00 41.23 H new ATOM 0 HD2 TYR A 48 5.555 -3.085 -11.465 1.00 15.51 H new ATOM 0 HE1 TYR A 48 0.889 -2.865 -9.921 1.00 71.53 H new ATOM 0 HE2 TYR A 48 3.769 -2.502 -13.045 1.00 41.05 H new ATOM 0 HH TYR A 48 1.607 -2.170 -13.351 1.00 31.50 H new ATOM 763 N ASN A 49 7.479 -6.051 -9.264 1.00 35.14 N ATOM 764 CA ASN A 49 8.349 -6.771 -10.187 1.00 14.15 C ATOM 765 C ASN A 49 9.685 -7.102 -9.529 1.00 12.44 C ATOM 766 O ASN A 49 10.711 -7.198 -10.200 1.00 23.45 O ATOM 767 CB ASN A 49 8.582 -5.942 -11.452 1.00 34.54 C ATOM 768 CG ASN A 49 8.782 -4.470 -11.150 1.00 3.04 C ATOM 769 OD1 ASN A 49 7.871 -3.660 -11.321 1.00 43.11 O ATOM 770 ND2 ASN A 49 9.980 -4.117 -10.698 1.00 0.23 N ATOM 0 H ASN A 49 7.956 -5.666 -8.448 1.00 35.14 H new ATOM 0 HA ASN A 49 7.857 -7.705 -10.458 1.00 14.15 H new ATOM 0 HB2 ASN A 49 9.457 -6.324 -11.978 1.00 34.54 H new ATOM 0 HB3 ASN A 49 7.731 -6.060 -12.122 1.00 34.54 H new ATOM 0 HD21 ASN A 49 10.174 -3.140 -10.477 1.00 0.23 H new ATOM 0 HD22 ASN A 49 10.706 -4.823 -10.571 1.00 0.23 H new ATOM 777 N ASN A 50 9.663 -7.274 -8.211 1.00 34.41 N ATOM 778 CA ASN A 50 10.872 -7.595 -7.462 1.00 2.54 C ATOM 779 C ASN A 50 11.974 -6.579 -7.748 1.00 2.02 C ATOM 780 O ASN A 50 12.830 -6.801 -8.604 1.00 21.35 O ATOM 781 CB ASN A 50 11.357 -9.003 -7.813 1.00 0.42 C ATOM 782 CG ASN A 50 10.428 -10.081 -7.290 1.00 71.10 C ATOM 783 OD1 ASN A 50 9.281 -10.191 -7.723 1.00 73.21 O ATOM 784 ND2 ASN A 50 10.921 -10.883 -6.354 1.00 33.44 N ATOM 0 H ASN A 50 8.821 -7.196 -7.640 1.00 34.41 H new ATOM 0 HA ASN A 50 10.632 -7.556 -6.399 1.00 2.54 H new ATOM 0 HB2 ASN A 50 11.443 -9.095 -8.896 1.00 0.42 H new ATOM 0 HB3 ASN A 50 12.354 -9.155 -7.400 1.00 0.42 H new ATOM 0 HD21 ASN A 50 10.343 -11.627 -5.964 1.00 33.44 H new ATOM 0 HD22 ASN A 50 11.878 -10.755 -6.025 1.00 33.44 H new ATOM 791 N ALA A 51 11.946 -5.464 -7.025 1.00 60.01 N ATOM 792 CA ALA A 51 12.943 -4.416 -7.199 1.00 45.51 C ATOM 793 C ALA A 51 13.127 -3.614 -5.915 1.00 2.01 C ATOM 794 O ALA A 51 12.334 -2.724 -5.608 1.00 31.02 O ATOM 795 CB ALA A 51 12.548 -3.496 -8.345 1.00 64.34 C ATOM 0 H ALA A 51 11.243 -5.264 -6.313 1.00 60.01 H new ATOM 0 HA ALA A 51 13.894 -4.891 -7.440 1.00 45.51 H new ATOM 0 HB1 ALA A 51 13.302 -2.718 -8.463 1.00 64.34 H new ATOM 0 HB2 ALA A 51 12.475 -4.074 -9.267 1.00 64.34 H new ATOM 0 HB3 ALA A 51 11.584 -3.037 -8.127 1.00 64.34 H new ATOM 801 N VAL A 52 14.178 -3.936 -5.167 1.00 41.42 N ATOM 802 CA VAL A 52 14.466 -3.245 -3.916 1.00 21.02 C ATOM 803 C VAL A 52 15.341 -2.019 -4.153 1.00 71.23 C ATOM 804 O VAL A 52 16.165 -2.000 -5.068 1.00 1.23 O ATOM 805 CB VAL A 52 15.168 -4.176 -2.910 1.00 24.13 C ATOM 806 CG1 VAL A 52 16.635 -4.349 -3.275 1.00 52.32 C ATOM 807 CG2 VAL A 52 15.023 -3.637 -1.495 1.00 21.14 C ATOM 0 H VAL A 52 14.844 -4.671 -5.406 1.00 41.42 H new ATOM 0 HA VAL A 52 13.509 -2.929 -3.502 1.00 21.02 H new ATOM 0 HB VAL A 52 14.690 -5.155 -2.953 1.00 24.13 H new ATOM 0 HG11 VAL A 52 17.114 -5.010 -2.553 1.00 52.32 H new ATOM 0 HG12 VAL A 52 16.713 -4.783 -4.272 1.00 52.32 H new ATOM 0 HG13 VAL A 52 17.130 -3.378 -3.262 1.00 52.32 H new ATOM 0 HG21 VAL A 52 15.525 -4.307 -0.797 1.00 21.14 H new ATOM 0 HG22 VAL A 52 15.474 -2.647 -1.435 1.00 21.14 H new ATOM 0 HG23 VAL A 52 13.966 -3.570 -1.238 1.00 21.14 H new ATOM 817 N ASP A 53 15.156 -0.998 -3.324 1.00 42.01 N ATOM 818 CA ASP A 53 15.930 0.233 -3.442 1.00 72.44 C ATOM 819 C ASP A 53 17.102 0.233 -2.466 1.00 41.42 C ATOM 820 O ASP A 53 17.279 1.175 -1.693 1.00 30.04 O ATOM 821 CB ASP A 53 15.037 1.448 -3.188 1.00 30.04 C ATOM 822 CG ASP A 53 14.264 1.868 -4.422 1.00 71.54 C ATOM 823 OD1 ASP A 53 14.880 2.451 -5.339 1.00 2.12 O ATOM 824 OD2 ASP A 53 13.043 1.612 -4.473 1.00 31.42 O ATOM 0 H ASP A 53 14.477 -0.998 -2.563 1.00 42.01 H new ATOM 0 HA ASP A 53 16.326 0.289 -4.456 1.00 72.44 H new ATOM 0 HB2 ASP A 53 14.337 1.219 -2.385 1.00 30.04 H new ATOM 0 HB3 ASP A 53 15.651 2.281 -2.847 1.00 30.04 H new ATOM 829 N CYS A 54 17.900 -0.828 -2.507 1.00 30.42 N ATOM 830 CA CYS A 54 19.055 -0.952 -1.625 1.00 73.05 C ATOM 831 C CYS A 54 19.957 0.274 -1.736 1.00 31.31 C ATOM 832 O CYS A 54 20.205 0.778 -2.831 1.00 53.32 O ATOM 833 CB CYS A 54 19.848 -2.215 -1.964 1.00 64.35 C ATOM 834 SG CYS A 54 19.318 -3.696 -1.045 1.00 2.44 S ATOM 0 H CYS A 54 17.768 -1.615 -3.142 1.00 30.42 H new ATOM 0 HA CYS A 54 18.693 -1.023 -0.599 1.00 73.05 H new ATOM 0 HB2 CYS A 54 19.758 -2.412 -3.032 1.00 64.35 H new ATOM 0 HB3 CYS A 54 20.904 -2.033 -1.762 1.00 64.35 H new ATOM 839 N ASP A 55 20.445 0.747 -0.595 1.00 31.35 N ATOM 840 CA ASP A 55 21.321 1.912 -0.562 1.00 51.22 C ATOM 841 C ASP A 55 22.487 1.743 -1.531 1.00 72.22 C ATOM 842 O ASP A 55 22.777 0.633 -1.981 1.00 12.21 O ATOM 843 CB ASP A 55 21.848 2.141 0.855 1.00 5.11 C ATOM 844 CG ASP A 55 21.800 3.601 1.262 1.00 31.43 C ATOM 845 OD1 ASP A 55 22.754 4.066 1.920 1.00 24.51 O ATOM 846 OD2 ASP A 55 20.808 4.278 0.923 1.00 53.15 O ATOM 0 H ASP A 55 20.249 0.341 0.320 1.00 31.35 H new ATOM 0 HA ASP A 55 20.740 2.781 -0.870 1.00 51.22 H new ATOM 0 HB2 ASP A 55 21.260 1.551 1.558 1.00 5.11 H new ATOM 0 HB3 ASP A 55 22.875 1.782 0.920 1.00 5.11 H new TER 851 ASP A 55