USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 829 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 37 TYR OH : rot 130:sc= 0.542 USER MOD Set 1.2: A 69 SER OG : rot -147:sc= 0.592 USER MOD Set 2.1: A 16 ASN : amide:sc= 0 K(o=0.62,f=-0.49) USER MOD Set 2.2: A 17 LYS NZ :NH3+ -162:sc= 0.622 (180deg=0.27) 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 3 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 9 LYS NZ :NH3+ -129:sc= 1.13 (180deg=-0.236) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -1.88! (180deg=-3.57!) USER MOD Single : A 34 GLN : amide:sc= 0.276 K(o=0.28,f=-0.4) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0.306 (180deg=0.131) USER MOD Single : A 36 GLN : amide:sc=-0.000506 X(o=-0.00051,f=-0.32) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.905 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -83:sc= 0.135 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= 0.689 (180deg=-0.00569) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0.586 (180deg=0.524) USER MOD Single : A 84 LYS NZ :NH3+ -129:sc= 0.612 (180deg=-0.318) USER MOD Single : A 88 ASN : amide:sc= -0.591 K(o=-0.59,f=-0.044) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -140:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.728 -3.811 20.549 1.00 4.33 N ATOM 2 CA MET A 1 -5.033 -3.243 19.381 1.00 43.30 C ATOM 3 C MET A 1 -3.754 -4.041 19.087 1.00 0.51 C ATOM 4 O MET A 1 -2.900 -4.197 19.968 1.00 61.22 O ATOM 5 CB MET A 1 -4.715 -1.730 19.600 1.00 75.40 C ATOM 6 CG MET A 1 -3.817 -1.105 18.518 1.00 25.10 C ATOM 7 SD MET A 1 -3.629 0.684 18.669 1.00 64.32 S ATOM 8 CE MET A 1 -5.136 1.274 17.899 1.00 43.35 C ATOM 0 H1 MET A 1 -6.592 -3.264 20.739 1.00 4.33 H new ATOM 0 H2 MET A 1 -5.981 -4.801 20.355 1.00 4.33 H new ATOM 0 H3 MET A 1 -5.103 -3.770 21.379 1.00 4.33 H new ATOM 0 HA MET A 1 -5.692 -3.317 18.516 1.00 43.30 H new ATOM 0 HB2 MET A 1 -5.653 -1.176 19.640 1.00 75.40 H new ATOM 0 HB3 MET A 1 -4.232 -1.610 20.570 1.00 75.40 H new ATOM 0 HG2 MET A 1 -2.832 -1.569 18.564 1.00 25.10 H new ATOM 0 HG3 MET A 1 -4.232 -1.336 17.537 1.00 25.10 H new ATOM 0 HE1 MET A 1 -5.154 2.364 17.922 1.00 43.35 H new ATOM 0 HE2 MET A 1 -5.174 0.932 16.865 1.00 43.35 H new ATOM 0 HE3 MET A 1 -5.998 0.886 18.442 1.00 43.35 H new ATOM 20 N LEU A 2 -3.637 -4.543 17.846 1.00 32.44 N ATOM 21 CA LEU A 2 -2.435 -5.245 17.357 1.00 51.22 C ATOM 22 C LEU A 2 -1.822 -4.477 16.181 1.00 41.31 C ATOM 23 O LEU A 2 -2.505 -3.689 15.519 1.00 4.24 O ATOM 24 CB LEU A 2 -2.783 -6.722 16.989 1.00 50.14 C ATOM 25 CG LEU A 2 -4.007 -6.970 16.018 1.00 71.45 C ATOM 26 CD1 LEU A 2 -3.702 -6.647 14.534 1.00 11.34 C ATOM 27 CD2 LEU A 2 -4.546 -8.407 16.159 1.00 23.54 C ATOM 0 H LEU A 2 -4.378 -4.473 17.148 1.00 32.44 H new ATOM 0 HA LEU A 2 -1.685 -5.281 18.147 1.00 51.22 H new ATOM 0 HB2 LEU A 2 -1.899 -7.172 16.536 1.00 50.14 H new ATOM 0 HB3 LEU A 2 -2.976 -7.262 17.916 1.00 50.14 H new ATOM 0 HG LEU A 2 -4.778 -6.266 16.332 1.00 71.45 H new ATOM 0 HD11 LEU A 2 -4.588 -6.841 13.930 1.00 11.34 H new ATOM 0 HD12 LEU A 2 -3.422 -5.598 14.440 1.00 11.34 H new ATOM 0 HD13 LEU A 2 -2.881 -7.274 14.186 1.00 11.34 H new ATOM 0 HD21 LEU A 2 -5.387 -8.549 15.480 1.00 23.54 H new ATOM 0 HD22 LEU A 2 -3.757 -9.117 15.913 1.00 23.54 H new ATOM 0 HD23 LEU A 2 -4.876 -8.573 17.184 1.00 23.54 H new ATOM 39 N THR A 3 -0.526 -4.690 15.944 1.00 1.53 N ATOM 40 CA THR A 3 0.175 -4.125 14.789 1.00 64.44 C ATOM 41 C THR A 3 0.563 -5.251 13.821 1.00 72.25 C ATOM 42 O THR A 3 1.276 -6.188 14.203 1.00 45.43 O ATOM 43 CB THR A 3 1.450 -3.336 15.222 1.00 63.33 C ATOM 44 OG1 THR A 3 1.123 -2.417 16.275 1.00 62.22 O ATOM 45 CG2 THR A 3 2.060 -2.553 14.051 1.00 50.14 C ATOM 0 H THR A 3 0.067 -5.259 16.548 1.00 1.53 H new ATOM 0 HA THR A 3 -0.498 -3.426 14.293 1.00 64.44 H new ATOM 0 HB THR A 3 2.182 -4.065 15.569 1.00 63.33 H new ATOM 0 HG1 THR A 3 1.928 -1.927 16.543 1.00 62.22 H new ATOM 0 HG21 THR A 3 2.945 -2.017 14.393 1.00 50.14 H new ATOM 0 HG22 THR A 3 2.339 -3.245 13.257 1.00 50.14 H new ATOM 0 HG23 THR A 3 1.329 -1.840 13.670 1.00 50.14 H new ATOM 53 N VAL A 4 0.059 -5.174 12.587 1.00 2.11 N ATOM 54 CA VAL A 4 0.465 -6.065 11.501 1.00 25.43 C ATOM 55 C VAL A 4 1.462 -5.318 10.601 1.00 62.23 C ATOM 56 O VAL A 4 1.370 -4.095 10.431 1.00 73.32 O ATOM 57 CB VAL A 4 -0.772 -6.562 10.660 1.00 35.20 C ATOM 58 CG1 VAL A 4 -1.448 -5.415 9.875 1.00 3.33 C ATOM 59 CG2 VAL A 4 -0.383 -7.732 9.725 1.00 32.31 C ATOM 0 H VAL A 4 -0.645 -4.489 12.313 1.00 2.11 H new ATOM 0 HA VAL A 4 0.935 -6.951 11.928 1.00 25.43 H new ATOM 0 HB VAL A 4 -1.509 -6.933 11.372 1.00 35.20 H new ATOM 0 HG11 VAL A 4 -2.294 -5.809 9.312 1.00 3.33 H new ATOM 0 HG12 VAL A 4 -1.799 -4.654 10.572 1.00 3.33 H new ATOM 0 HG13 VAL A 4 -0.729 -4.972 9.186 1.00 3.33 H new ATOM 0 HG21 VAL A 4 -1.258 -8.052 9.159 1.00 32.31 H new ATOM 0 HG22 VAL A 4 0.395 -7.404 9.036 1.00 32.31 H new ATOM 0 HG23 VAL A 4 -0.012 -8.566 10.321 1.00 32.31 H new ATOM 69 N GLU A 5 2.434 -6.048 10.072 1.00 30.14 N ATOM 70 CA GLU A 5 3.370 -5.549 9.067 1.00 71.34 C ATOM 71 C GLU A 5 3.217 -6.417 7.819 1.00 35.03 C ATOM 72 O GLU A 5 2.842 -7.596 7.917 1.00 12.13 O ATOM 73 CB GLU A 5 4.831 -5.566 9.599 1.00 13.43 C ATOM 74 CG GLU A 5 5.035 -4.773 10.912 1.00 14.10 C ATOM 75 CD GLU A 5 6.511 -4.605 11.313 1.00 3.53 C ATOM 76 OE1 GLU A 5 7.075 -5.510 11.963 1.00 15.45 O ATOM 77 OE2 GLU A 5 7.125 -3.575 10.957 1.00 2.15 O ATOM 0 H GLU A 5 2.599 -7.020 10.332 1.00 30.14 H new ATOM 0 HA GLU A 5 3.145 -4.510 8.826 1.00 71.34 H new ATOM 0 HB2 GLU A 5 5.135 -6.600 9.761 1.00 13.43 H new ATOM 0 HB3 GLU A 5 5.490 -5.156 8.833 1.00 13.43 H new ATOM 0 HG2 GLU A 5 4.583 -3.787 10.804 1.00 14.10 H new ATOM 0 HG3 GLU A 5 4.505 -5.280 11.718 1.00 14.10 H new ATOM 84 N VAL A 6 3.474 -5.822 6.652 1.00 20.12 N ATOM 85 CA VAL A 6 3.337 -6.490 5.354 1.00 61.44 C ATOM 86 C VAL A 6 4.342 -5.909 4.344 1.00 31.34 C ATOM 87 O VAL A 6 4.557 -4.693 4.293 1.00 1.31 O ATOM 88 CB VAL A 6 1.856 -6.378 4.821 1.00 12.22 C ATOM 89 CG1 VAL A 6 1.383 -4.918 4.758 1.00 62.22 C ATOM 90 CG2 VAL A 6 1.680 -7.073 3.459 1.00 35.12 C ATOM 0 H VAL A 6 3.786 -4.854 6.580 1.00 20.12 H new ATOM 0 HA VAL A 6 3.562 -7.549 5.482 1.00 61.44 H new ATOM 0 HB VAL A 6 1.225 -6.901 5.540 1.00 12.22 H new ATOM 0 HG11 VAL A 6 0.359 -4.883 4.386 1.00 62.22 H new ATOM 0 HG12 VAL A 6 1.422 -4.479 5.755 1.00 62.22 H new ATOM 0 HG13 VAL A 6 2.032 -4.354 4.088 1.00 62.22 H new ATOM 0 HG21 VAL A 6 0.646 -6.971 3.130 1.00 35.12 H new ATOM 0 HG22 VAL A 6 2.341 -6.610 2.726 1.00 35.12 H new ATOM 0 HG23 VAL A 6 1.928 -8.130 3.555 1.00 35.12 H new ATOM 100 N GLU A 7 4.961 -6.802 3.560 1.00 21.50 N ATOM 101 CA GLU A 7 5.897 -6.451 2.488 1.00 0.42 C ATOM 102 C GLU A 7 5.225 -6.737 1.131 1.00 64.24 C ATOM 103 O GLU A 7 4.900 -7.891 0.817 1.00 31.53 O ATOM 104 CB GLU A 7 7.210 -7.261 2.636 1.00 1.24 C ATOM 105 CG GLU A 7 8.256 -6.978 1.531 1.00 70.34 C ATOM 106 CD GLU A 7 9.542 -7.805 1.679 1.00 13.31 C ATOM 107 OE1 GLU A 7 9.612 -8.923 1.129 1.00 34.12 O ATOM 108 OE2 GLU A 7 10.477 -7.357 2.364 1.00 32.21 O ATOM 0 H GLU A 7 4.821 -7.808 3.657 1.00 21.50 H new ATOM 0 HA GLU A 7 6.151 -5.393 2.548 1.00 0.42 H new ATOM 0 HB2 GLU A 7 7.654 -7.039 3.607 1.00 1.24 H new ATOM 0 HB3 GLU A 7 6.971 -8.324 2.631 1.00 1.24 H new ATOM 0 HG2 GLU A 7 7.810 -7.185 0.558 1.00 70.34 H new ATOM 0 HG3 GLU A 7 8.511 -5.918 1.546 1.00 70.34 H new ATOM 115 N VAL A 8 4.972 -5.671 0.365 1.00 22.22 N ATOM 116 CA VAL A 8 4.392 -5.745 -0.973 1.00 51.04 C ATOM 117 C VAL A 8 5.494 -5.429 -2.005 1.00 32.15 C ATOM 118 O VAL A 8 5.941 -4.283 -2.107 1.00 65.12 O ATOM 119 CB VAL A 8 3.200 -4.719 -1.129 1.00 3.40 C ATOM 120 CG1 VAL A 8 2.480 -4.896 -2.484 1.00 3.12 C ATOM 121 CG2 VAL A 8 2.210 -4.811 0.063 1.00 23.01 C ATOM 0 H VAL A 8 5.169 -4.717 0.666 1.00 22.22 H new ATOM 0 HA VAL A 8 3.996 -6.747 -1.138 1.00 51.04 H new ATOM 0 HB VAL A 8 3.626 -3.716 -1.116 1.00 3.40 H new ATOM 0 HG11 VAL A 8 1.665 -4.176 -2.560 1.00 3.12 H new ATOM 0 HG12 VAL A 8 3.188 -4.731 -3.296 1.00 3.12 H new ATOM 0 HG13 VAL A 8 2.078 -5.907 -2.553 1.00 3.12 H new ATOM 0 HG21 VAL A 8 1.403 -4.092 -0.078 1.00 23.01 H new ATOM 0 HG22 VAL A 8 1.794 -5.817 0.114 1.00 23.01 H new ATOM 0 HG23 VAL A 8 2.736 -4.589 0.991 1.00 23.01 H new ATOM 131 N LYS A 9 5.947 -6.452 -2.741 1.00 4.14 N ATOM 132 CA LYS A 9 6.918 -6.294 -3.834 1.00 44.34 C ATOM 133 C LYS A 9 6.173 -5.955 -5.129 1.00 1.32 C ATOM 134 O LYS A 9 5.435 -6.779 -5.676 1.00 23.21 O ATOM 135 CB LYS A 9 7.787 -7.580 -3.992 1.00 20.32 C ATOM 136 CG LYS A 9 8.979 -7.667 -3.008 1.00 71.20 C ATOM 137 CD LYS A 9 9.722 -9.023 -3.093 1.00 71.03 C ATOM 138 CE LYS A 9 10.802 -9.189 -2.007 1.00 62.21 C ATOM 139 NZ LYS A 9 11.830 -8.112 -2.047 1.00 63.34 N ATOM 0 H LYS A 9 5.650 -7.417 -2.595 1.00 4.14 H new ATOM 0 HA LYS A 9 7.598 -5.475 -3.600 1.00 44.34 H new ATOM 0 HB2 LYS A 9 7.151 -8.454 -3.852 1.00 20.32 H new ATOM 0 HB3 LYS A 9 8.169 -7.624 -5.012 1.00 20.32 H new ATOM 0 HG2 LYS A 9 9.680 -6.859 -3.219 1.00 71.20 H new ATOM 0 HG3 LYS A 9 8.617 -7.518 -1.991 1.00 71.20 H new ATOM 0 HD2 LYS A 9 8.998 -9.833 -3.004 1.00 71.03 H new ATOM 0 HD3 LYS A 9 10.185 -9.116 -4.075 1.00 71.03 H new ATOM 0 HE2 LYS A 9 10.327 -9.195 -1.026 1.00 62.21 H new ATOM 0 HE3 LYS A 9 11.290 -10.156 -2.131 1.00 62.21 H new ATOM 0 HZ1 LYS A 9 12.779 -8.538 -2.058 1.00 63.34 H new ATOM 0 HZ2 LYS A 9 11.698 -7.538 -2.904 1.00 63.34 H new ATOM 0 HZ3 LYS A 9 11.732 -7.507 -1.207 1.00 63.34 H new ATOM 153 N ILE A 10 6.375 -4.725 -5.590 1.00 62.32 N ATOM 154 CA ILE A 10 5.693 -4.154 -6.745 1.00 42.43 C ATOM 155 C ILE A 10 6.673 -4.109 -7.926 1.00 43.24 C ATOM 156 O ILE A 10 7.609 -3.299 -7.931 1.00 71.41 O ATOM 157 CB ILE A 10 5.199 -2.699 -6.413 1.00 62.14 C ATOM 158 CG1 ILE A 10 4.390 -2.684 -5.073 1.00 23.13 C ATOM 159 CG2 ILE A 10 4.387 -2.106 -7.589 1.00 42.21 C ATOM 160 CD1 ILE A 10 3.993 -1.305 -4.574 1.00 74.23 C ATOM 0 H ILE A 10 7.037 -4.080 -5.158 1.00 62.32 H new ATOM 0 HA ILE A 10 4.829 -4.768 -7.000 1.00 42.43 H new ATOM 0 HB ILE A 10 6.071 -2.060 -6.275 1.00 62.14 H new ATOM 0 HG12 ILE A 10 3.486 -3.279 -5.206 1.00 23.13 H new ATOM 0 HG13 ILE A 10 4.985 -3.175 -4.302 1.00 23.13 H new ATOM 0 HG21 ILE A 10 4.058 -1.099 -7.333 1.00 42.21 H new ATOM 0 HG22 ILE A 10 5.013 -2.067 -8.480 1.00 42.21 H new ATOM 0 HG23 ILE A 10 3.517 -2.734 -7.784 1.00 42.21 H new ATOM 0 HD11 ILE A 10 3.437 -1.402 -3.641 1.00 74.23 H new ATOM 0 HD12 ILE A 10 4.889 -0.708 -4.403 1.00 74.23 H new ATOM 0 HD13 ILE A 10 3.368 -0.814 -5.320 1.00 74.23 H new ATOM 172 N THR A 11 6.480 -5.001 -8.902 1.00 45.12 N ATOM 173 CA THR A 11 7.268 -4.992 -10.133 1.00 13.01 C ATOM 174 C THR A 11 6.629 -3.981 -11.106 1.00 63.40 C ATOM 175 O THR A 11 5.404 -3.960 -11.272 1.00 51.32 O ATOM 176 CB THR A 11 7.387 -6.419 -10.776 1.00 52.22 C ATOM 177 OG1 THR A 11 8.271 -6.373 -11.909 1.00 55.52 O ATOM 178 CG2 THR A 11 6.029 -7.011 -11.210 1.00 43.11 C ATOM 0 H THR A 11 5.780 -5.742 -8.860 1.00 45.12 H new ATOM 0 HA THR A 11 8.290 -4.690 -9.902 1.00 13.01 H new ATOM 0 HB THR A 11 7.787 -7.074 -10.002 1.00 52.22 H new ATOM 0 HG1 THR A 11 8.342 -7.267 -12.305 1.00 55.52 H new ATOM 0 HG21 THR A 11 6.185 -7.998 -11.646 1.00 43.11 H new ATOM 0 HG22 THR A 11 5.375 -7.097 -10.342 1.00 43.11 H new ATOM 0 HG23 THR A 11 5.566 -6.357 -11.949 1.00 43.11 H new ATOM 186 N ALA A 12 7.459 -3.098 -11.661 1.00 61.10 N ATOM 187 CA ALA A 12 7.036 -2.068 -12.625 1.00 62.21 C ATOM 188 C ALA A 12 8.256 -1.613 -13.428 1.00 35.11 C ATOM 189 O ALA A 12 9.372 -1.575 -12.887 1.00 72.24 O ATOM 190 CB ALA A 12 6.373 -0.875 -11.903 1.00 71.53 C ATOM 0 H ALA A 12 8.458 -3.073 -11.455 1.00 61.10 H new ATOM 0 HA ALA A 12 6.293 -2.488 -13.302 1.00 62.21 H new ATOM 0 HB1 ALA A 12 6.070 -0.128 -12.637 1.00 71.53 H new ATOM 0 HB2 ALA A 12 5.497 -1.222 -11.355 1.00 71.53 H new ATOM 0 HB3 ALA A 12 7.084 -0.431 -11.206 1.00 71.53 H new ATOM 196 N ASP A 13 8.039 -1.265 -14.705 1.00 31.25 N ATOM 197 CA ASP A 13 9.126 -0.878 -15.631 1.00 72.32 C ATOM 198 C ASP A 13 9.791 0.441 -15.178 1.00 53.11 C ATOM 199 O ASP A 13 11.009 0.620 -15.294 1.00 54.12 O ATOM 200 CB ASP A 13 8.574 -0.770 -17.076 1.00 22.11 C ATOM 201 CG ASP A 13 9.658 -0.467 -18.123 1.00 64.52 C ATOM 202 OD1 ASP A 13 10.500 -1.353 -18.389 1.00 2.31 O ATOM 203 OD2 ASP A 13 9.679 0.642 -18.697 1.00 22.15 O ATOM 0 H ASP A 13 7.111 -1.242 -15.128 1.00 31.25 H new ATOM 0 HA ASP A 13 9.896 -1.650 -15.616 1.00 72.32 H new ATOM 0 HB2 ASP A 13 8.077 -1.704 -17.338 1.00 22.11 H new ATOM 0 HB3 ASP A 13 7.817 0.014 -17.110 1.00 22.11 H new ATOM 208 N ASP A 14 8.964 1.340 -14.639 1.00 71.25 N ATOM 209 CA ASP A 14 9.401 2.604 -14.020 1.00 50.15 C ATOM 210 C ASP A 14 9.310 2.460 -12.496 1.00 73.54 C ATOM 211 O ASP A 14 8.267 2.759 -11.925 1.00 43.44 O ATOM 212 CB ASP A 14 8.501 3.788 -14.487 1.00 12.04 C ATOM 213 CG ASP A 14 8.655 4.147 -15.966 1.00 35.22 C ATOM 214 OD1 ASP A 14 8.087 3.445 -16.822 1.00 14.52 O ATOM 215 OD2 ASP A 14 9.353 5.140 -16.284 1.00 61.13 O ATOM 0 H ASP A 14 7.952 1.212 -14.618 1.00 71.25 H new ATOM 0 HA ASP A 14 10.427 2.815 -14.321 1.00 50.15 H new ATOM 0 HB2 ASP A 14 7.459 3.536 -14.292 1.00 12.04 H new ATOM 0 HB3 ASP A 14 8.734 4.666 -13.885 1.00 12.04 H new ATOM 220 N GLU A 15 10.380 1.955 -11.850 1.00 73.21 N ATOM 221 CA GLU A 15 10.432 1.813 -10.370 1.00 15.41 C ATOM 222 C GLU A 15 10.422 3.188 -9.665 1.00 34.32 C ATOM 223 O GLU A 15 9.913 3.314 -8.542 1.00 65.51 O ATOM 224 CB GLU A 15 11.668 0.978 -9.915 1.00 43.34 C ATOM 225 CG GLU A 15 13.049 1.660 -10.061 1.00 30.22 C ATOM 226 CD GLU A 15 13.462 1.945 -11.516 1.00 24.44 C ATOM 227 OE1 GLU A 15 13.926 1.007 -12.192 1.00 22.43 O ATOM 228 OE2 GLU A 15 13.280 3.083 -12.003 1.00 1.30 O ATOM 0 H GLU A 15 11.224 1.636 -12.326 1.00 73.21 H new ATOM 0 HA GLU A 15 9.532 1.274 -10.074 1.00 15.41 H new ATOM 0 HB2 GLU A 15 11.530 0.706 -8.869 1.00 43.34 H new ATOM 0 HB3 GLU A 15 11.683 0.050 -10.487 1.00 43.34 H new ATOM 0 HG2 GLU A 15 13.038 2.599 -9.508 1.00 30.22 H new ATOM 0 HG3 GLU A 15 13.805 1.026 -9.598 1.00 30.22 H new ATOM 235 N ASN A 16 11.000 4.204 -10.337 1.00 4.31 N ATOM 236 CA ASN A 16 11.027 5.591 -9.848 1.00 74.14 C ATOM 237 C ASN A 16 9.598 6.152 -9.752 1.00 62.03 C ATOM 238 O ASN A 16 9.140 6.507 -8.661 1.00 32.02 O ATOM 239 CB ASN A 16 11.922 6.472 -10.768 1.00 30.43 C ATOM 240 CG ASN A 16 11.799 7.986 -10.496 1.00 20.35 C ATOM 241 OD1 ASN A 16 11.024 8.687 -11.153 1.00 40.54 O ATOM 242 ND2 ASN A 16 12.534 8.496 -9.519 1.00 11.43 N ATOM 0 H ASN A 16 11.462 4.081 -11.238 1.00 4.31 H new ATOM 0 HA ASN A 16 11.460 5.605 -8.848 1.00 74.14 H new ATOM 0 HB2 ASN A 16 12.962 6.173 -10.640 1.00 30.43 H new ATOM 0 HB3 ASN A 16 11.660 6.277 -11.808 1.00 30.43 H new ATOM 0 HD21 ASN A 16 12.467 9.489 -9.295 1.00 11.43 H new ATOM 0 HD22 ASN A 16 13.167 7.896 -8.991 1.00 11.43 H new ATOM 249 N LYS A 17 8.890 6.170 -10.898 1.00 15.53 N ATOM 250 CA LYS A 17 7.509 6.672 -10.987 1.00 54.44 C ATOM 251 C LYS A 17 6.554 5.812 -10.152 1.00 51.55 C ATOM 252 O LYS A 17 5.649 6.349 -9.513 1.00 60.22 O ATOM 253 CB LYS A 17 7.052 6.737 -12.469 1.00 12.23 C ATOM 254 CG LYS A 17 7.656 7.920 -13.256 1.00 30.12 C ATOM 255 CD LYS A 17 7.069 9.280 -12.795 1.00 44.42 C ATOM 256 CE LYS A 17 7.898 10.483 -13.262 1.00 34.24 C ATOM 257 NZ LYS A 17 9.231 10.507 -12.602 1.00 60.11 N ATOM 0 H LYS A 17 9.262 5.836 -11.787 1.00 15.53 H new ATOM 0 HA LYS A 17 7.485 7.682 -10.577 1.00 54.44 H new ATOM 0 HB2 LYS A 17 7.325 5.806 -12.965 1.00 12.23 H new ATOM 0 HB3 LYS A 17 5.965 6.808 -12.501 1.00 12.23 H new ATOM 0 HG2 LYS A 17 8.738 7.928 -13.125 1.00 30.12 H new ATOM 0 HG3 LYS A 17 7.464 7.784 -14.320 1.00 30.12 H new ATOM 0 HD2 LYS A 17 6.052 9.378 -13.175 1.00 44.42 H new ATOM 0 HD3 LYS A 17 7.005 9.291 -11.707 1.00 44.42 H new ATOM 0 HE2 LYS A 17 8.026 10.442 -14.344 1.00 34.24 H new ATOM 0 HE3 LYS A 17 7.362 11.406 -13.039 1.00 34.24 H new ATOM 0 HZ1 LYS A 17 9.644 11.458 -12.687 1.00 60.11 H new ATOM 0 HZ2 LYS A 17 9.125 10.265 -11.596 1.00 60.11 H new ATOM 0 HZ3 LYS A 17 9.858 9.815 -13.060 1.00 60.11 H new ATOM 271 N ALA A 18 6.808 4.483 -10.134 1.00 72.30 N ATOM 272 CA ALA A 18 6.012 3.517 -9.361 1.00 24.40 C ATOM 273 C ALA A 18 5.972 3.901 -7.885 1.00 40.24 C ATOM 274 O ALA A 18 4.895 4.041 -7.321 1.00 72.14 O ATOM 275 CB ALA A 18 6.558 2.095 -9.519 1.00 41.33 C ATOM 0 H ALA A 18 7.572 4.056 -10.657 1.00 72.30 H new ATOM 0 HA ALA A 18 4.996 3.541 -9.756 1.00 24.40 H new ATOM 0 HB1 ALA A 18 5.949 1.404 -8.936 1.00 41.33 H new ATOM 0 HB2 ALA A 18 6.527 1.808 -10.570 1.00 41.33 H new ATOM 0 HB3 ALA A 18 7.588 2.059 -9.164 1.00 41.33 H new ATOM 281 N GLU A 19 7.170 4.133 -7.309 1.00 13.24 N ATOM 282 CA GLU A 19 7.329 4.511 -5.899 1.00 34.14 C ATOM 283 C GLU A 19 6.574 5.818 -5.587 1.00 43.25 C ATOM 284 O GLU A 19 5.844 5.876 -4.606 1.00 0.11 O ATOM 285 CB GLU A 19 8.830 4.648 -5.546 1.00 12.35 C ATOM 286 CG GLU A 19 9.093 5.112 -4.096 1.00 40.43 C ATOM 287 CD GLU A 19 10.571 5.138 -3.719 1.00 34.24 C ATOM 288 OE1 GLU A 19 11.308 5.993 -4.256 1.00 63.20 O ATOM 289 OE2 GLU A 19 11.013 4.311 -2.887 1.00 2.55 O ATOM 0 H GLU A 19 8.053 4.062 -7.814 1.00 13.24 H new ATOM 0 HA GLU A 19 6.897 3.722 -5.283 1.00 34.14 H new ATOM 0 HB2 GLU A 19 9.319 3.687 -5.704 1.00 12.35 H new ATOM 0 HB3 GLU A 19 9.291 5.357 -6.233 1.00 12.35 H new ATOM 0 HG2 GLU A 19 8.675 6.110 -3.962 1.00 40.43 H new ATOM 0 HG3 GLU A 19 8.564 4.450 -3.410 1.00 40.43 H new ATOM 296 N GLU A 20 6.726 6.830 -6.466 1.00 23.04 N ATOM 297 CA GLU A 20 6.110 8.167 -6.285 1.00 22.24 C ATOM 298 C GLU A 20 4.566 8.077 -6.256 1.00 21.55 C ATOM 299 O GLU A 20 3.919 8.697 -5.399 1.00 12.35 O ATOM 300 CB GLU A 20 6.574 9.134 -7.401 1.00 11.11 C ATOM 301 CG GLU A 20 8.104 9.359 -7.453 1.00 2.15 C ATOM 302 CD GLU A 20 8.532 10.308 -8.582 1.00 20.22 C ATOM 303 OE1 GLU A 20 8.655 9.857 -9.740 1.00 71.40 O ATOM 304 OE2 GLU A 20 8.721 11.523 -8.326 1.00 33.15 O ATOM 0 H GLU A 20 7.277 6.747 -7.320 1.00 23.04 H new ATOM 0 HA GLU A 20 6.440 8.558 -5.323 1.00 22.24 H new ATOM 0 HB2 GLU A 20 6.243 8.745 -8.364 1.00 11.11 H new ATOM 0 HB3 GLU A 20 6.082 10.096 -7.260 1.00 11.11 H new ATOM 0 HG2 GLU A 20 8.439 9.764 -6.498 1.00 2.15 H new ATOM 0 HG3 GLU A 20 8.603 8.399 -7.584 1.00 2.15 H new ATOM 311 N ILE A 21 4.007 7.266 -7.186 1.00 4.11 N ATOM 312 CA ILE A 21 2.557 7.018 -7.284 1.00 14.02 C ATOM 313 C ILE A 21 2.074 6.304 -6.011 1.00 71.14 C ATOM 314 O ILE A 21 1.186 6.808 -5.329 1.00 2.12 O ATOM 315 CB ILE A 21 2.190 6.156 -8.561 1.00 5.50 C ATOM 316 CG1 ILE A 21 2.610 6.889 -9.877 1.00 72.13 C ATOM 317 CG2 ILE A 21 0.681 5.793 -8.591 1.00 22.54 C ATOM 318 CD1 ILE A 21 2.458 6.063 -11.146 1.00 14.51 C ATOM 0 H ILE A 21 4.553 6.767 -7.888 1.00 4.11 H new ATOM 0 HA ILE A 21 2.056 7.981 -7.385 1.00 14.02 H new ATOM 0 HB ILE A 21 2.754 5.225 -8.496 1.00 5.50 H new ATOM 0 HG12 ILE A 21 2.013 7.796 -9.977 1.00 72.13 H new ATOM 0 HG13 ILE A 21 3.651 7.201 -9.786 1.00 72.13 H new ATOM 0 HG21 ILE A 21 0.467 5.202 -9.481 1.00 22.54 H new ATOM 0 HG22 ILE A 21 0.428 5.215 -7.702 1.00 22.54 H new ATOM 0 HG23 ILE A 21 0.087 6.707 -8.611 1.00 22.54 H new ATOM 0 HD11 ILE A 21 2.773 6.655 -12.005 1.00 14.51 H new ATOM 0 HD12 ILE A 21 3.077 5.169 -11.074 1.00 14.51 H new ATOM 0 HD13 ILE A 21 1.414 5.773 -11.269 1.00 14.51 H new ATOM 330 N VAL A 22 2.733 5.171 -5.683 1.00 11.13 N ATOM 331 CA VAL A 22 2.375 4.313 -4.540 1.00 41.22 C ATOM 332 C VAL A 22 2.360 5.113 -3.219 1.00 64.45 C ATOM 333 O VAL A 22 1.372 5.055 -2.489 1.00 20.34 O ATOM 334 CB VAL A 22 3.336 3.060 -4.451 1.00 21.00 C ATOM 335 CG1 VAL A 22 3.137 2.262 -3.145 1.00 61.33 C ATOM 336 CG2 VAL A 22 3.138 2.134 -5.676 1.00 33.13 C ATOM 0 H VAL A 22 3.535 4.826 -6.211 1.00 11.13 H new ATOM 0 HA VAL A 22 1.363 3.942 -4.703 1.00 41.22 H new ATOM 0 HB VAL A 22 4.357 3.441 -4.450 1.00 21.00 H new ATOM 0 HG11 VAL A 22 3.819 1.412 -3.131 1.00 61.33 H new ATOM 0 HG12 VAL A 22 3.342 2.906 -2.290 1.00 61.33 H new ATOM 0 HG13 VAL A 22 2.109 1.904 -3.091 1.00 61.33 H new ATOM 0 HG21 VAL A 22 3.808 1.278 -5.597 1.00 33.13 H new ATOM 0 HG22 VAL A 22 2.106 1.786 -5.706 1.00 33.13 H new ATOM 0 HG23 VAL A 22 3.361 2.686 -6.589 1.00 33.13 H new ATOM 346 N LYS A 23 3.427 5.911 -2.972 1.00 3.31 N ATOM 347 CA LYS A 23 3.542 6.754 -1.762 1.00 71.31 C ATOM 348 C LYS A 23 2.354 7.716 -1.663 1.00 21.32 C ATOM 349 O LYS A 23 1.595 7.659 -0.697 1.00 70.44 O ATOM 350 CB LYS A 23 4.855 7.578 -1.755 1.00 52.11 C ATOM 351 CG LYS A 23 6.145 6.761 -1.580 1.00 14.10 C ATOM 352 CD LYS A 23 7.402 7.641 -1.382 1.00 33.21 C ATOM 353 CE LYS A 23 7.494 8.294 0.018 1.00 73.24 C ATOM 354 NZ LYS A 23 6.395 9.267 0.326 1.00 64.53 N ATOM 0 H LYS A 23 4.225 5.987 -3.602 1.00 3.31 H new ATOM 0 HA LYS A 23 3.549 6.080 -0.906 1.00 71.31 H new ATOM 0 HB2 LYS A 23 4.921 8.133 -2.691 1.00 52.11 H new ATOM 0 HB3 LYS A 23 4.799 8.313 -0.952 1.00 52.11 H new ATOM 0 HG2 LYS A 23 6.034 6.099 -0.721 1.00 14.10 H new ATOM 0 HG3 LYS A 23 6.287 6.127 -2.455 1.00 14.10 H new ATOM 0 HD2 LYS A 23 8.290 7.031 -1.547 1.00 33.21 H new ATOM 0 HD3 LYS A 23 7.408 8.425 -2.139 1.00 33.21 H new ATOM 0 HE2 LYS A 23 7.487 7.507 0.773 1.00 73.24 H new ATOM 0 HE3 LYS A 23 8.451 8.808 0.102 1.00 73.24 H new ATOM 0 HZ1 LYS A 23 6.730 9.959 1.027 1.00 64.53 H new ATOM 0 HZ2 LYS A 23 6.117 9.763 -0.545 1.00 64.53 H new ATOM 0 HZ3 LYS A 23 5.575 8.755 0.710 1.00 64.53 H new ATOM 368 N ARG A 24 2.192 8.546 -2.722 1.00 70.22 N ATOM 369 CA ARG A 24 1.166 9.602 -2.794 1.00 64.03 C ATOM 370 C ARG A 24 -0.246 9.027 -2.564 1.00 63.11 C ATOM 371 O ARG A 24 -1.062 9.620 -1.849 1.00 62.00 O ATOM 372 CB ARG A 24 1.238 10.301 -4.170 1.00 62.43 C ATOM 373 CG ARG A 24 0.277 11.498 -4.343 1.00 62.20 C ATOM 374 CD ARG A 24 0.342 12.095 -5.754 1.00 64.45 C ATOM 375 NE ARG A 24 1.698 12.559 -6.118 1.00 75.43 N ATOM 376 CZ ARG A 24 2.365 12.207 -7.232 1.00 11.32 C ATOM 377 NH1 ARG A 24 1.826 11.371 -8.129 1.00 33.24 N ATOM 378 NH2 ARG A 24 3.570 12.710 -7.448 1.00 45.52 N ATOM 0 H ARG A 24 2.778 8.497 -3.555 1.00 70.22 H new ATOM 0 HA ARG A 24 1.363 10.328 -2.005 1.00 64.03 H new ATOM 0 HB2 ARG A 24 2.259 10.647 -4.332 1.00 62.43 H new ATOM 0 HB3 ARG A 24 1.023 9.566 -4.946 1.00 62.43 H new ATOM 0 HG2 ARG A 24 -0.743 11.176 -4.133 1.00 62.20 H new ATOM 0 HG3 ARG A 24 0.524 12.269 -3.613 1.00 62.20 H new ATOM 0 HD2 ARG A 24 0.013 11.347 -6.475 1.00 64.45 H new ATOM 0 HD3 ARG A 24 -0.354 12.931 -5.822 1.00 64.45 H new ATOM 0 HE ARG A 24 2.165 13.197 -5.473 1.00 75.43 H new ATOM 0 HH11 ARG A 24 0.893 10.989 -7.974 1.00 33.24 H new ATOM 0 HH12 ARG A 24 2.348 11.117 -8.967 1.00 33.24 H new ATOM 0 HH21 ARG A 24 3.981 13.356 -6.774 1.00 45.52 H new ATOM 0 HH22 ARG A 24 4.087 12.452 -8.288 1.00 45.52 H new ATOM 392 N VAL A 25 -0.493 7.849 -3.170 1.00 22.53 N ATOM 393 CA VAL A 25 -1.769 7.136 -3.056 1.00 24.31 C ATOM 394 C VAL A 25 -2.020 6.669 -1.607 1.00 33.22 C ATOM 395 O VAL A 25 -3.093 6.905 -1.085 1.00 1.42 O ATOM 396 CB VAL A 25 -1.857 5.935 -4.078 1.00 32.14 C ATOM 397 CG1 VAL A 25 -3.082 5.037 -3.817 1.00 50.03 C ATOM 398 CG2 VAL A 25 -1.885 6.459 -5.535 1.00 25.03 C ATOM 0 H VAL A 25 0.192 7.368 -3.753 1.00 22.53 H new ATOM 0 HA VAL A 25 -2.562 7.837 -3.317 1.00 24.31 H new ATOM 0 HB VAL A 25 -0.964 5.327 -3.931 1.00 32.14 H new ATOM 0 HG11 VAL A 25 -3.100 4.225 -4.544 1.00 50.03 H new ATOM 0 HG12 VAL A 25 -3.021 4.621 -2.811 1.00 50.03 H new ATOM 0 HG13 VAL A 25 -3.993 5.628 -3.911 1.00 50.03 H new ATOM 0 HG21 VAL A 25 -1.946 5.616 -6.224 1.00 25.03 H new ATOM 0 HG22 VAL A 25 -2.753 7.104 -5.673 1.00 25.03 H new ATOM 0 HG23 VAL A 25 -0.976 7.026 -5.735 1.00 25.03 H new ATOM 408 N ILE A 26 -1.016 6.063 -0.951 1.00 0.42 N ATOM 409 CA ILE A 26 -1.180 5.534 0.431 1.00 15.11 C ATOM 410 C ILE A 26 -1.352 6.681 1.448 1.00 24.34 C ATOM 411 O ILE A 26 -2.069 6.536 2.449 1.00 43.23 O ATOM 412 CB ILE A 26 0.028 4.618 0.840 1.00 15.41 C ATOM 413 CG1 ILE A 26 0.159 3.431 -0.151 1.00 74.22 C ATOM 414 CG2 ILE A 26 -0.114 4.094 2.295 1.00 52.33 C ATOM 415 CD1 ILE A 26 1.446 2.653 -0.013 1.00 53.21 C ATOM 0 H ILE A 26 -0.085 5.924 -1.344 1.00 0.42 H new ATOM 0 HA ILE A 26 -2.085 4.927 0.441 1.00 15.11 H new ATOM 0 HB ILE A 26 0.933 5.223 0.796 1.00 15.41 H new ATOM 0 HG12 ILE A 26 -0.681 2.753 -0.002 1.00 74.22 H new ATOM 0 HG13 ILE A 26 0.084 3.812 -1.170 1.00 74.22 H new ATOM 0 HG21 ILE A 26 0.741 3.464 2.540 1.00 52.33 H new ATOM 0 HG22 ILE A 26 -0.152 4.938 2.984 1.00 52.33 H new ATOM 0 HG23 ILE A 26 -1.031 3.511 2.384 1.00 52.33 H new ATOM 0 HD11 ILE A 26 1.460 1.841 -0.740 1.00 53.21 H new ATOM 0 HD12 ILE A 26 2.293 3.316 -0.192 1.00 53.21 H new ATOM 0 HD13 ILE A 26 1.515 2.240 0.993 1.00 53.21 H new ATOM 427 N ASP A 27 -0.710 7.824 1.158 1.00 40.33 N ATOM 428 CA ASP A 27 -0.825 9.037 1.984 1.00 12.22 C ATOM 429 C ASP A 27 -2.288 9.533 2.011 1.00 4.43 C ATOM 430 O ASP A 27 -2.805 9.906 3.066 1.00 2.34 O ATOM 431 CB ASP A 27 0.142 10.154 1.478 1.00 24.10 C ATOM 432 CG ASP A 27 1.644 9.843 1.696 1.00 23.11 C ATOM 433 OD1 ASP A 27 2.020 9.453 2.820 1.00 13.30 O ATOM 434 OD2 ASP A 27 2.459 10.008 0.762 1.00 71.33 O ATOM 0 H ASP A 27 -0.099 7.933 0.348 1.00 40.33 H new ATOM 0 HA ASP A 27 -0.532 8.788 3.004 1.00 12.22 H new ATOM 0 HB2 ASP A 27 -0.033 10.316 0.414 1.00 24.10 H new ATOM 0 HB3 ASP A 27 -0.101 11.087 1.986 1.00 24.10 H new ATOM 439 N GLU A 28 -2.961 9.487 0.845 1.00 72.20 N ATOM 440 CA GLU A 28 -4.369 9.912 0.713 1.00 44.41 C ATOM 441 C GLU A 28 -5.348 8.749 1.024 1.00 60.13 C ATOM 442 O GLU A 28 -6.524 8.994 1.296 1.00 1.45 O ATOM 443 CB GLU A 28 -4.613 10.510 -0.693 1.00 22.43 C ATOM 444 CG GLU A 28 -4.472 9.513 -1.849 1.00 61.40 C ATOM 445 CD GLU A 28 -4.524 10.167 -3.229 1.00 53.40 C ATOM 446 OE1 GLU A 28 -3.499 10.719 -3.671 1.00 64.54 O ATOM 447 OE2 GLU A 28 -5.590 10.147 -3.873 1.00 10.44 O ATOM 0 H GLU A 28 -2.548 9.157 -0.027 1.00 72.20 H new ATOM 0 HA GLU A 28 -4.566 10.689 1.452 1.00 44.41 H new ATOM 0 HB2 GLU A 28 -5.615 10.938 -0.721 1.00 22.43 H new ATOM 0 HB3 GLU A 28 -3.912 11.329 -0.851 1.00 22.43 H new ATOM 0 HG2 GLU A 28 -3.528 8.979 -1.744 1.00 61.40 H new ATOM 0 HG3 GLU A 28 -5.267 8.771 -1.777 1.00 61.40 H new ATOM 454 N VAL A 29 -4.860 7.482 0.974 1.00 72.31 N ATOM 455 CA VAL A 29 -5.648 6.304 1.431 1.00 13.34 C ATOM 456 C VAL A 29 -5.800 6.372 2.953 1.00 41.24 C ATOM 457 O VAL A 29 -6.829 5.975 3.492 1.00 21.00 O ATOM 458 CB VAL A 29 -5.007 4.916 1.000 1.00 1.43 C ATOM 459 CG1 VAL A 29 -5.666 3.702 1.712 1.00 12.25 C ATOM 460 CG2 VAL A 29 -5.101 4.724 -0.518 1.00 33.41 C ATOM 0 H VAL A 29 -3.930 7.250 0.624 1.00 72.31 H new ATOM 0 HA VAL A 29 -6.623 6.349 0.945 1.00 13.34 H new ATOM 0 HB VAL A 29 -3.962 4.954 1.307 1.00 1.43 H new ATOM 0 HG11 VAL A 29 -5.188 2.781 1.379 1.00 12.25 H new ATOM 0 HG12 VAL A 29 -5.546 3.804 2.791 1.00 12.25 H new ATOM 0 HG13 VAL A 29 -6.728 3.669 1.467 1.00 12.25 H new ATOM 0 HG21 VAL A 29 -4.656 3.767 -0.792 1.00 33.41 H new ATOM 0 HG22 VAL A 29 -6.148 4.738 -0.822 1.00 33.41 H new ATOM 0 HG23 VAL A 29 -4.566 5.530 -1.020 1.00 33.41 H new ATOM 470 N GLU A 30 -4.777 6.944 3.622 1.00 23.24 N ATOM 471 CA GLU A 30 -4.765 7.124 5.081 1.00 14.44 C ATOM 472 C GLU A 30 -6.019 7.880 5.558 1.00 23.51 C ATOM 473 O GLU A 30 -6.703 7.404 6.459 1.00 34.45 O ATOM 474 CB GLU A 30 -3.478 7.863 5.519 1.00 35.02 C ATOM 475 CG GLU A 30 -3.380 8.161 7.035 1.00 52.32 C ATOM 476 CD GLU A 30 -2.109 8.928 7.424 1.00 11.52 C ATOM 477 OE1 GLU A 30 -1.848 9.999 6.831 1.00 25.43 O ATOM 478 OE2 GLU A 30 -1.354 8.466 8.307 1.00 50.11 O ATOM 0 H GLU A 30 -3.937 7.293 3.161 1.00 23.24 H new ATOM 0 HA GLU A 30 -4.776 6.138 5.547 1.00 14.44 H new ATOM 0 HB2 GLU A 30 -2.615 7.265 5.225 1.00 35.02 H new ATOM 0 HB3 GLU A 30 -3.414 8.805 4.974 1.00 35.02 H new ATOM 0 HG2 GLU A 30 -4.252 8.739 7.341 1.00 52.32 H new ATOM 0 HG3 GLU A 30 -3.411 7.221 7.585 1.00 52.32 H new ATOM 485 N ARG A 31 -6.358 9.004 4.876 1.00 54.54 N ATOM 486 CA ARG A 31 -7.503 9.860 5.279 1.00 45.12 C ATOM 487 C ARG A 31 -8.848 9.181 4.952 1.00 74.23 C ATOM 488 O ARG A 31 -9.862 9.489 5.583 1.00 14.11 O ATOM 489 CB ARG A 31 -7.444 11.279 4.632 1.00 4.15 C ATOM 490 CG ARG A 31 -7.628 11.331 3.098 1.00 22.33 C ATOM 491 CD ARG A 31 -7.511 12.755 2.514 1.00 15.21 C ATOM 492 NE ARG A 31 -8.549 13.678 3.023 1.00 72.42 N ATOM 493 CZ ARG A 31 -8.699 14.969 2.642 1.00 12.22 C ATOM 494 NH1 ARG A 31 -7.886 15.526 1.740 1.00 3.15 N ATOM 495 NH2 ARG A 31 -9.673 15.699 3.179 1.00 23.01 N ATOM 0 H ARG A 31 -5.859 9.336 4.051 1.00 54.54 H new ATOM 0 HA ARG A 31 -7.426 9.989 6.359 1.00 45.12 H new ATOM 0 HB2 ARG A 31 -8.214 11.899 5.092 1.00 4.15 H new ATOM 0 HB3 ARG A 31 -6.483 11.730 4.878 1.00 4.15 H new ATOM 0 HG2 ARG A 31 -6.881 10.691 2.628 1.00 22.33 H new ATOM 0 HG3 ARG A 31 -8.605 10.921 2.843 1.00 22.33 H new ATOM 0 HD2 ARG A 31 -6.527 13.159 2.751 1.00 15.21 H new ATOM 0 HD3 ARG A 31 -7.581 12.703 1.428 1.00 15.21 H new ATOM 0 HE ARG A 31 -9.203 13.313 3.715 1.00 72.42 H new ATOM 0 HH11 ARG A 31 -7.134 14.977 1.324 1.00 3.15 H new ATOM 0 HH12 ARG A 31 -8.017 16.500 1.468 1.00 3.15 H new ATOM 0 HH21 ARG A 31 -10.298 15.285 3.871 1.00 23.01 H new ATOM 0 HH22 ARG A 31 -9.795 16.672 2.899 1.00 23.01 H new ATOM 509 N GLU A 32 -8.832 8.240 3.977 1.00 72.31 N ATOM 510 CA GLU A 32 -10.016 7.440 3.590 1.00 52.35 C ATOM 511 C GLU A 32 -10.290 6.372 4.656 1.00 22.44 C ATOM 512 O GLU A 32 -11.436 6.143 5.056 1.00 44.11 O ATOM 513 CB GLU A 32 -9.789 6.752 2.212 1.00 33.21 C ATOM 514 CG GLU A 32 -9.559 7.712 1.025 1.00 71.31 C ATOM 515 CD GLU A 32 -9.359 6.969 -0.309 1.00 22.24 C ATOM 516 OE1 GLU A 32 -10.368 6.545 -0.919 1.00 4.33 O ATOM 517 OE2 GLU A 32 -8.200 6.790 -0.752 1.00 14.15 O ATOM 0 H GLU A 32 -7.996 8.015 3.437 1.00 72.31 H new ATOM 0 HA GLU A 32 -10.873 8.108 3.510 1.00 52.35 H new ATOM 0 HB2 GLU A 32 -8.928 6.088 2.293 1.00 33.21 H new ATOM 0 HB3 GLU A 32 -10.654 6.127 1.990 1.00 33.21 H new ATOM 0 HG2 GLU A 32 -10.412 8.385 0.937 1.00 71.31 H new ATOM 0 HG3 GLU A 32 -8.684 8.330 1.227 1.00 71.31 H new ATOM 524 N VAL A 33 -9.200 5.740 5.111 1.00 1.44 N ATOM 525 CA VAL A 33 -9.225 4.703 6.144 1.00 42.14 C ATOM 526 C VAL A 33 -9.544 5.320 7.517 1.00 10.42 C ATOM 527 O VAL A 33 -10.069 4.642 8.383 1.00 31.13 O ATOM 528 CB VAL A 33 -7.856 3.919 6.161 1.00 61.31 C ATOM 529 CG1 VAL A 33 -7.762 2.932 7.339 1.00 34.14 C ATOM 530 CG2 VAL A 33 -7.629 3.178 4.819 1.00 20.41 C ATOM 0 H VAL A 33 -8.262 5.940 4.764 1.00 1.44 H new ATOM 0 HA VAL A 33 -10.015 3.989 5.914 1.00 42.14 H new ATOM 0 HB VAL A 33 -7.069 4.661 6.294 1.00 61.31 H new ATOM 0 HG11 VAL A 33 -6.802 2.417 7.307 1.00 34.14 H new ATOM 0 HG12 VAL A 33 -7.850 3.477 8.279 1.00 34.14 H new ATOM 0 HG13 VAL A 33 -8.568 2.202 7.267 1.00 34.14 H new ATOM 0 HG21 VAL A 33 -6.679 2.645 4.854 1.00 20.41 H new ATOM 0 HG22 VAL A 33 -8.439 2.467 4.655 1.00 20.41 H new ATOM 0 HG23 VAL A 33 -7.609 3.901 4.003 1.00 20.41 H new ATOM 540 N GLN A 34 -9.261 6.626 7.694 1.00 74.15 N ATOM 541 CA GLN A 34 -9.663 7.359 8.916 1.00 23.24 C ATOM 542 C GLN A 34 -11.198 7.502 9.006 1.00 54.14 C ATOM 543 O GLN A 34 -11.744 7.688 10.097 1.00 13.40 O ATOM 544 CB GLN A 34 -8.994 8.760 8.992 1.00 64.34 C ATOM 545 CG GLN A 34 -7.457 8.747 9.155 1.00 10.42 C ATOM 546 CD GLN A 34 -6.944 7.912 10.341 1.00 3.25 C ATOM 547 OE1 GLN A 34 -7.605 7.782 11.375 1.00 31.50 O ATOM 548 NE2 GLN A 34 -5.755 7.345 10.197 1.00 45.12 N ATOM 0 H GLN A 34 -8.759 7.194 7.012 1.00 74.15 H new ATOM 0 HA GLN A 34 -9.318 6.769 9.765 1.00 23.24 H new ATOM 0 HB2 GLN A 34 -9.243 9.313 8.086 1.00 64.34 H new ATOM 0 HB3 GLN A 34 -9.428 9.307 9.829 1.00 64.34 H new ATOM 0 HG2 GLN A 34 -7.011 8.363 8.238 1.00 10.42 H new ATOM 0 HG3 GLN A 34 -7.109 9.773 9.273 1.00 10.42 H new ATOM 0 HE21 GLN A 34 -5.232 7.470 9.330 1.00 45.12 H new ATOM 0 HE22 GLN A 34 -5.363 6.783 10.953 1.00 45.12 H new ATOM 557 N LYS A 35 -11.885 7.395 7.849 1.00 0.11 N ATOM 558 CA LYS A 35 -13.355 7.532 7.756 1.00 62.14 C ATOM 559 C LYS A 35 -14.055 6.181 7.986 1.00 13.23 C ATOM 560 O LYS A 35 -15.274 6.134 8.182 1.00 31.14 O ATOM 561 CB LYS A 35 -13.750 8.117 6.367 1.00 31.14 C ATOM 562 CG LYS A 35 -13.111 9.488 6.059 1.00 70.20 C ATOM 563 CD LYS A 35 -13.542 10.578 7.068 1.00 24.41 C ATOM 564 CE LYS A 35 -12.673 11.838 6.991 1.00 24.41 C ATOM 565 NZ LYS A 35 -11.252 11.539 7.324 1.00 20.14 N ATOM 0 H LYS A 35 -11.436 7.211 6.952 1.00 0.11 H new ATOM 0 HA LYS A 35 -13.683 8.217 8.538 1.00 62.14 H new ATOM 0 HB2 LYS A 35 -13.460 7.410 5.590 1.00 31.14 H new ATOM 0 HB3 LYS A 35 -14.835 8.214 6.320 1.00 31.14 H new ATOM 0 HG2 LYS A 35 -12.025 9.392 6.074 1.00 70.20 H new ATOM 0 HG3 LYS A 35 -13.390 9.798 5.052 1.00 70.20 H new ATOM 0 HD2 LYS A 35 -14.582 10.848 6.882 1.00 24.41 H new ATOM 0 HD3 LYS A 35 -13.494 10.171 8.078 1.00 24.41 H new ATOM 0 HE2 LYS A 35 -12.732 12.262 5.989 1.00 24.41 H new ATOM 0 HE3 LYS A 35 -13.059 12.591 7.679 1.00 24.41 H new ATOM 0 HZ1 LYS A 35 -10.737 12.429 7.479 1.00 20.14 H new ATOM 0 HZ2 LYS A 35 -11.212 10.961 8.188 1.00 20.14 H new ATOM 0 HZ3 LYS A 35 -10.813 11.018 6.538 1.00 20.14 H new ATOM 579 N GLN A 36 -13.275 5.085 7.942 1.00 22.21 N ATOM 580 CA GLN A 36 -13.789 3.709 8.081 1.00 13.53 C ATOM 581 C GLN A 36 -13.362 3.135 9.447 1.00 32.31 C ATOM 582 O GLN A 36 -14.188 2.684 10.248 1.00 61.15 O ATOM 583 CB GLN A 36 -13.232 2.826 6.917 1.00 33.42 C ATOM 584 CG GLN A 36 -13.498 3.368 5.490 1.00 52.31 C ATOM 585 CD GLN A 36 -14.986 3.578 5.186 1.00 14.31 C ATOM 586 OE1 GLN A 36 -15.537 4.661 5.399 1.00 74.31 O ATOM 587 NE2 GLN A 36 -15.650 2.549 4.692 1.00 31.33 N ATOM 0 H GLN A 36 -12.265 5.129 7.808 1.00 22.21 H new ATOM 0 HA GLN A 36 -14.878 3.714 8.029 1.00 13.53 H new ATOM 0 HB2 GLN A 36 -12.156 2.714 7.051 1.00 33.42 H new ATOM 0 HB3 GLN A 36 -13.669 1.830 6.997 1.00 33.42 H new ATOM 0 HG2 GLN A 36 -12.972 4.315 5.365 1.00 52.31 H new ATOM 0 HG3 GLN A 36 -13.081 2.673 4.762 1.00 52.31 H new ATOM 0 HE21 GLN A 36 -15.170 1.665 4.525 1.00 31.33 H new ATOM 0 HE22 GLN A 36 -16.643 2.639 4.477 1.00 31.33 H new ATOM 596 N TYR A 37 -12.046 3.188 9.688 1.00 42.50 N ATOM 597 CA TYR A 37 -11.386 2.680 10.901 1.00 73.35 C ATOM 598 C TYR A 37 -10.659 3.853 11.610 1.00 43.34 C ATOM 599 O TYR A 37 -9.548 4.217 11.206 1.00 71.24 O ATOM 600 CB TYR A 37 -10.377 1.554 10.517 1.00 20.43 C ATOM 601 CG TYR A 37 -10.948 0.486 9.567 1.00 15.11 C ATOM 602 CD1 TYR A 37 -11.814 -0.504 10.028 1.00 70.54 C ATOM 603 CD2 TYR A 37 -10.628 0.483 8.203 1.00 40.22 C ATOM 604 CE1 TYR A 37 -12.329 -1.457 9.172 1.00 45.23 C ATOM 605 CE2 TYR A 37 -11.139 -0.469 7.347 1.00 4.15 C ATOM 606 CZ TYR A 37 -11.989 -1.435 7.835 1.00 74.21 C ATOM 607 OH TYR A 37 -12.504 -2.383 6.987 1.00 44.23 O ATOM 0 H TYR A 37 -11.389 3.598 9.024 1.00 42.50 H new ATOM 0 HA TYR A 37 -12.126 2.259 11.582 1.00 73.35 H new ATOM 0 HB2 TYR A 37 -9.504 2.009 10.050 1.00 20.43 H new ATOM 0 HB3 TYR A 37 -10.032 1.065 11.428 1.00 20.43 H new ATOM 0 HD1 TYR A 37 -12.087 -0.526 11.073 1.00 70.54 H new ATOM 0 HD2 TYR A 37 -9.967 1.243 7.814 1.00 40.22 H new ATOM 0 HE1 TYR A 37 -12.997 -2.218 9.548 1.00 45.23 H new ATOM 0 HE2 TYR A 37 -10.874 -0.457 6.300 1.00 4.15 H new ATOM 0 HH TYR A 37 -12.885 -1.944 6.198 1.00 44.23 H new ATOM 617 N PRO A 38 -11.279 4.490 12.651 1.00 72.33 N ATOM 618 CA PRO A 38 -10.660 5.642 13.370 1.00 63.12 C ATOM 619 C PRO A 38 -9.422 5.241 14.211 1.00 4.30 C ATOM 620 O PRO A 38 -8.588 6.091 14.543 1.00 30.52 O ATOM 621 CB PRO A 38 -11.817 6.162 14.261 1.00 0.41 C ATOM 622 CG PRO A 38 -12.704 4.969 14.475 1.00 25.14 C ATOM 623 CD PRO A 38 -12.636 4.170 13.190 1.00 4.45 C ATOM 0 HA PRO A 38 -10.269 6.393 12.683 1.00 63.12 H new ATOM 0 HB2 PRO A 38 -11.443 6.551 15.208 1.00 0.41 H new ATOM 0 HB3 PRO A 38 -12.357 6.974 13.774 1.00 0.41 H new ATOM 0 HG2 PRO A 38 -12.363 4.375 15.323 1.00 25.14 H new ATOM 0 HG3 PRO A 38 -13.727 5.276 14.691 1.00 25.14 H new ATOM 0 HD2 PRO A 38 -12.753 3.102 13.375 1.00 4.45 H new ATOM 0 HD3 PRO A 38 -13.423 4.461 12.494 1.00 4.45 H new ATOM 631 N ASN A 39 -9.327 3.942 14.549 1.00 72.52 N ATOM 632 CA ASN A 39 -8.205 3.376 15.339 1.00 4.02 C ATOM 633 C ASN A 39 -7.008 2.973 14.447 1.00 11.41 C ATOM 634 O ASN A 39 -6.006 2.449 14.949 1.00 71.24 O ATOM 635 CB ASN A 39 -8.702 2.146 16.152 1.00 65.41 C ATOM 636 CG ASN A 39 -9.853 2.483 17.108 1.00 13.40 C ATOM 637 OD1 ASN A 39 -11.027 2.453 16.728 1.00 62.55 O ATOM 638 ND2 ASN A 39 -9.535 2.801 18.350 1.00 51.32 N ATOM 0 H ASN A 39 -10.026 3.248 14.283 1.00 72.52 H new ATOM 0 HA ASN A 39 -7.856 4.153 16.019 1.00 4.02 H new ATOM 0 HB2 ASN A 39 -9.027 1.368 15.461 1.00 65.41 H new ATOM 0 HB3 ASN A 39 -7.870 1.736 16.725 1.00 65.41 H new ATOM 0 HD21 ASN A 39 -10.268 3.029 19.022 1.00 51.32 H new ATOM 0 HD22 ASN A 39 -8.557 2.818 18.638 1.00 51.32 H new ATOM 645 N ALA A 40 -7.109 3.224 13.133 1.00 42.12 N ATOM 646 CA ALA A 40 -6.077 2.839 12.158 1.00 40.42 C ATOM 647 C ALA A 40 -4.886 3.816 12.187 1.00 51.14 C ATOM 648 O ALA A 40 -5.055 5.014 11.942 1.00 53.21 O ATOM 649 CB ALA A 40 -6.679 2.784 10.753 1.00 70.20 C ATOM 0 H ALA A 40 -7.909 3.700 12.716 1.00 42.12 H new ATOM 0 HA ALA A 40 -5.707 1.851 12.430 1.00 40.42 H new ATOM 0 HB1 ALA A 40 -5.908 2.498 10.038 1.00 70.20 H new ATOM 0 HB2 ALA A 40 -7.485 2.050 10.731 1.00 70.20 H new ATOM 0 HB3 ALA A 40 -7.074 3.765 10.488 1.00 70.20 H new ATOM 655 N THR A 41 -3.696 3.296 12.518 1.00 64.41 N ATOM 656 CA THR A 41 -2.429 4.016 12.400 1.00 22.10 C ATOM 657 C THR A 41 -1.630 3.350 11.267 1.00 72.05 C ATOM 658 O THR A 41 -1.224 2.190 11.395 1.00 14.24 O ATOM 659 CB THR A 41 -1.633 3.948 13.750 1.00 34.22 C ATOM 660 OG1 THR A 41 -2.487 4.318 14.855 1.00 52.54 O ATOM 661 CG2 THR A 41 -0.397 4.861 13.738 1.00 10.03 C ATOM 0 H THR A 41 -3.589 2.349 12.880 1.00 64.41 H new ATOM 0 HA THR A 41 -2.603 5.069 12.178 1.00 22.10 H new ATOM 0 HB THR A 41 -1.294 2.919 13.869 1.00 34.22 H new ATOM 0 HG1 THR A 41 -1.979 4.270 15.692 1.00 52.54 H new ATOM 0 HG21 THR A 41 0.123 4.782 14.693 1.00 10.03 H new ATOM 0 HG22 THR A 41 0.272 4.557 12.933 1.00 10.03 H new ATOM 0 HG23 THR A 41 -0.709 5.893 13.579 1.00 10.03 H new ATOM 669 N ILE A 42 -1.423 4.073 10.158 1.00 44.21 N ATOM 670 CA ILE A 42 -0.773 3.528 8.953 1.00 51.13 C ATOM 671 C ILE A 42 0.617 4.139 8.806 1.00 20.02 C ATOM 672 O ILE A 42 0.760 5.366 8.766 1.00 75.04 O ATOM 673 CB ILE A 42 -1.622 3.828 7.660 1.00 10.44 C ATOM 674 CG1 ILE A 42 -3.079 3.294 7.829 1.00 3.22 C ATOM 675 CG2 ILE A 42 -0.947 3.236 6.386 1.00 32.41 C ATOM 676 CD1 ILE A 42 -4.012 3.652 6.688 1.00 4.30 C ATOM 0 H ILE A 42 -1.700 5.051 10.069 1.00 44.21 H new ATOM 0 HA ILE A 42 -0.696 2.447 9.065 1.00 51.13 H new ATOM 0 HB ILE A 42 -1.668 4.909 7.528 1.00 10.44 H new ATOM 0 HG12 ILE A 42 -3.046 2.209 7.929 1.00 3.22 H new ATOM 0 HG13 ILE A 42 -3.492 3.688 8.758 1.00 3.22 H new ATOM 0 HG21 ILE A 42 -1.559 3.461 5.512 1.00 32.41 H new ATOM 0 HG22 ILE A 42 0.042 3.677 6.260 1.00 32.41 H new ATOM 0 HG23 ILE A 42 -0.852 2.156 6.494 1.00 32.41 H new ATOM 0 HD11 ILE A 42 -5.003 3.242 6.886 1.00 4.30 H new ATOM 0 HD12 ILE A 42 -4.079 4.736 6.599 1.00 4.30 H new ATOM 0 HD13 ILE A 42 -3.626 3.235 5.758 1.00 4.30 H new ATOM 688 N THR A 43 1.638 3.284 8.768 1.00 14.54 N ATOM 689 CA THR A 43 3.005 3.673 8.446 1.00 42.43 C ATOM 690 C THR A 43 3.379 3.068 7.082 1.00 44.03 C ATOM 691 O THR A 43 2.947 1.958 6.747 1.00 53.44 O ATOM 692 CB THR A 43 3.998 3.196 9.552 1.00 44.02 C ATOM 693 OG1 THR A 43 3.535 3.636 10.846 1.00 41.54 O ATOM 694 CG2 THR A 43 5.424 3.721 9.315 1.00 23.12 C ATOM 0 H THR A 43 1.535 2.288 8.963 1.00 14.54 H new ATOM 0 HA THR A 43 3.071 4.760 8.398 1.00 42.43 H new ATOM 0 HB THR A 43 4.032 2.107 9.513 1.00 44.02 H new ATOM 0 HG1 THR A 43 4.160 3.333 11.537 1.00 41.54 H new ATOM 0 HG21 THR A 43 6.080 3.364 10.109 1.00 23.12 H new ATOM 0 HG22 THR A 43 5.789 3.361 8.353 1.00 23.12 H new ATOM 0 HG23 THR A 43 5.415 4.811 9.315 1.00 23.12 H new ATOM 702 N ARG A 44 4.153 3.813 6.291 1.00 54.50 N ATOM 703 CA ARG A 44 4.626 3.368 4.974 1.00 43.41 C ATOM 704 C ARG A 44 6.042 3.891 4.731 1.00 40.23 C ATOM 705 O ARG A 44 6.308 5.088 4.899 1.00 50.31 O ATOM 706 CB ARG A 44 3.666 3.784 3.810 1.00 14.50 C ATOM 707 CG ARG A 44 3.246 5.280 3.727 1.00 30.41 C ATOM 708 CD ARG A 44 2.197 5.677 4.789 1.00 23.32 C ATOM 709 NE ARG A 44 1.652 7.027 4.585 1.00 63.22 N ATOM 710 CZ ARG A 44 0.930 7.706 5.494 1.00 71.31 C ATOM 711 NH1 ARG A 44 0.675 7.181 6.688 1.00 42.44 N ATOM 712 NH2 ARG A 44 0.463 8.913 5.201 1.00 45.22 N ATOM 0 H ARG A 44 4.472 4.748 6.545 1.00 54.50 H new ATOM 0 HA ARG A 44 4.637 2.278 4.981 1.00 43.41 H new ATOM 0 HB2 ARG A 44 4.144 3.516 2.868 1.00 14.50 H new ATOM 0 HB3 ARG A 44 2.760 3.184 3.890 1.00 14.50 H new ATOM 0 HG2 ARG A 44 4.130 5.906 3.847 1.00 30.41 H new ATOM 0 HG3 ARG A 44 2.844 5.483 2.735 1.00 30.41 H new ATOM 0 HD2 ARG A 44 1.380 4.955 4.772 1.00 23.32 H new ATOM 0 HD3 ARG A 44 2.651 5.621 5.778 1.00 23.32 H new ATOM 0 HE ARG A 44 1.834 7.481 3.690 1.00 63.22 H new ATOM 0 HH11 ARG A 44 1.028 6.253 6.923 1.00 42.44 H new ATOM 0 HH12 ARG A 44 0.126 7.706 7.369 1.00 42.44 H new ATOM 0 HH21 ARG A 44 0.652 9.325 4.287 1.00 45.22 H new ATOM 0 HH22 ARG A 44 -0.085 9.429 5.890 1.00 45.22 H new ATOM 726 N THR A 45 6.951 2.972 4.374 1.00 35.14 N ATOM 727 CA THR A 45 8.344 3.284 4.030 1.00 14.11 C ATOM 728 C THR A 45 8.779 2.373 2.864 1.00 4.24 C ATOM 729 O THR A 45 8.637 1.142 2.938 1.00 31.12 O ATOM 730 CB THR A 45 9.293 3.126 5.268 1.00 41.20 C ATOM 731 OG1 THR A 45 8.803 3.928 6.362 1.00 61.51 O ATOM 732 CG2 THR A 45 10.741 3.547 4.949 1.00 44.34 C ATOM 0 H THR A 45 6.735 1.977 4.316 1.00 35.14 H new ATOM 0 HA THR A 45 8.415 4.327 3.721 1.00 14.11 H new ATOM 0 HB THR A 45 9.299 2.070 5.538 1.00 41.20 H new ATOM 0 HG1 THR A 45 9.397 3.826 7.134 1.00 61.51 H new ATOM 0 HG21 THR A 45 11.361 3.420 5.837 1.00 44.34 H new ATOM 0 HG22 THR A 45 11.131 2.926 4.142 1.00 44.34 H new ATOM 0 HG23 THR A 45 10.757 4.593 4.642 1.00 44.34 H new ATOM 740 N LEU A 46 9.258 2.996 1.767 1.00 33.43 N ATOM 741 CA LEU A 46 9.558 2.306 0.497 1.00 55.43 C ATOM 742 C LEU A 46 11.062 2.362 0.180 1.00 43.12 C ATOM 743 O LEU A 46 11.754 3.319 0.542 1.00 23.23 O ATOM 744 CB LEU A 46 8.761 2.933 -0.689 1.00 73.23 C ATOM 745 CG LEU A 46 7.195 2.820 -0.648 1.00 14.33 C ATOM 746 CD1 LEU A 46 6.551 3.738 0.417 1.00 60.33 C ATOM 747 CD2 LEU A 46 6.587 3.068 -2.044 1.00 0.14 C ATOM 0 H LEU A 46 9.448 3.998 1.738 1.00 33.43 H new ATOM 0 HA LEU A 46 9.255 1.266 0.618 1.00 55.43 H new ATOM 0 HB2 LEU A 46 9.021 3.990 -0.748 1.00 73.23 H new ATOM 0 HB3 LEU A 46 9.108 2.467 -1.611 1.00 73.23 H new ATOM 0 HG LEU A 46 6.964 1.798 -0.348 1.00 14.33 H new ATOM 0 HD11 LEU A 46 5.468 3.615 0.397 1.00 60.33 H new ATOM 0 HD12 LEU A 46 6.928 3.470 1.404 1.00 60.33 H new ATOM 0 HD13 LEU A 46 6.802 4.777 0.202 1.00 60.33 H new ATOM 0 HD21 LEU A 46 5.502 2.984 -1.988 1.00 0.14 H new ATOM 0 HD22 LEU A 46 6.857 4.067 -2.386 1.00 0.14 H new ATOM 0 HD23 LEU A 46 6.973 2.328 -2.745 1.00 0.14 H new ATOM 759 N THR A 47 11.552 1.305 -0.478 1.00 12.15 N ATOM 760 CA THR A 47 12.912 1.238 -1.038 1.00 55.25 C ATOM 761 C THR A 47 12.853 0.413 -2.327 1.00 11.22 C ATOM 762 O THR A 47 12.161 -0.608 -2.367 1.00 31.54 O ATOM 763 CB THR A 47 13.925 0.598 -0.026 1.00 42.23 C ATOM 764 OG1 THR A 47 13.958 1.368 1.187 1.00 33.34 O ATOM 765 CG2 THR A 47 15.351 0.485 -0.593 1.00 32.42 C ATOM 0 H THR A 47 11.008 0.457 -0.640 1.00 12.15 H new ATOM 0 HA THR A 47 13.267 2.248 -1.244 1.00 55.25 H new ATOM 0 HB THR A 47 13.572 -0.414 0.171 1.00 42.23 H new ATOM 0 HG1 THR A 47 14.591 0.962 1.815 1.00 33.34 H new ATOM 0 HG21 THR A 47 16.005 0.035 0.154 1.00 32.42 H new ATOM 0 HG22 THR A 47 15.339 -0.138 -1.487 1.00 32.42 H new ATOM 0 HG23 THR A 47 15.721 1.478 -0.848 1.00 32.42 H new ATOM 773 N ARG A 48 13.582 0.838 -3.376 1.00 11.10 N ATOM 774 CA ARG A 48 13.629 0.094 -4.639 1.00 50.11 C ATOM 775 C ARG A 48 14.663 -1.027 -4.495 1.00 4.10 C ATOM 776 O ARG A 48 15.876 -0.784 -4.543 1.00 4.43 O ATOM 777 CB ARG A 48 13.982 0.992 -5.863 1.00 44.43 C ATOM 778 CG ARG A 48 12.977 2.124 -6.188 1.00 51.21 C ATOM 779 CD ARG A 48 13.123 3.340 -5.265 1.00 52.03 C ATOM 780 NE ARG A 48 14.478 3.922 -5.312 1.00 25.21 N ATOM 781 CZ ARG A 48 14.770 5.214 -5.553 1.00 71.42 C ATOM 782 NH1 ARG A 48 13.811 6.117 -5.774 1.00 53.34 N ATOM 783 NH2 ARG A 48 16.034 5.599 -5.569 1.00 4.54 N ATOM 0 H ARG A 48 14.143 1.690 -3.370 1.00 11.10 H new ATOM 0 HA ARG A 48 12.635 -0.308 -4.833 1.00 50.11 H new ATOM 0 HB2 ARG A 48 14.960 1.441 -5.689 1.00 44.43 H new ATOM 0 HB3 ARG A 48 14.076 0.354 -6.741 1.00 44.43 H new ATOM 0 HG2 ARG A 48 13.117 2.441 -7.222 1.00 51.21 H new ATOM 0 HG3 ARG A 48 11.962 1.735 -6.109 1.00 51.21 H new ATOM 0 HD2 ARG A 48 12.394 4.099 -5.550 1.00 52.03 H new ATOM 0 HD3 ARG A 48 12.892 3.045 -4.241 1.00 52.03 H new ATOM 0 HE ARG A 48 15.262 3.290 -5.148 1.00 25.21 H new ATOM 0 HH11 ARG A 48 12.831 5.834 -5.762 1.00 53.34 H new ATOM 0 HH12 ARG A 48 14.058 7.090 -5.954 1.00 53.34 H new ATOM 0 HH21 ARG A 48 16.776 4.920 -5.400 1.00 4.54 H new ATOM 0 HH22 ARG A 48 16.268 6.575 -5.750 1.00 4.54 H new ATOM 797 N ASP A 49 14.158 -2.237 -4.243 1.00 11.51 N ATOM 798 CA ASP A 49 14.966 -3.455 -4.148 1.00 74.21 C ATOM 799 C ASP A 49 15.474 -3.848 -5.553 1.00 72.02 C ATOM 800 O ASP A 49 14.823 -4.634 -6.262 1.00 30.11 O ATOM 801 CB ASP A 49 14.135 -4.596 -3.507 1.00 43.42 C ATOM 802 CG ASP A 49 14.981 -5.848 -3.196 1.00 53.11 C ATOM 803 OD1 ASP A 49 15.817 -5.787 -2.269 1.00 75.40 O ATOM 804 OD2 ASP A 49 14.810 -6.896 -3.857 1.00 22.13 O ATOM 0 H ASP A 49 13.162 -2.400 -4.097 1.00 11.51 H new ATOM 0 HA ASP A 49 15.830 -3.274 -3.509 1.00 74.21 H new ATOM 0 HB2 ASP A 49 13.678 -4.234 -2.586 1.00 43.42 H new ATOM 0 HB3 ASP A 49 13.322 -4.870 -4.180 1.00 43.42 H new ATOM 809 N ASP A 50 16.599 -3.219 -5.943 1.00 13.24 N ATOM 810 CA ASP A 50 17.251 -3.357 -7.261 1.00 31.53 C ATOM 811 C ASP A 50 16.390 -2.742 -8.404 1.00 14.04 C ATOM 812 O ASP A 50 16.755 -1.705 -8.967 1.00 3.43 O ATOM 813 CB ASP A 50 17.664 -4.831 -7.549 1.00 71.00 C ATOM 814 CG ASP A 50 18.477 -4.994 -8.848 1.00 33.32 C ATOM 815 OD1 ASP A 50 19.644 -4.543 -8.892 1.00 72.30 O ATOM 816 OD2 ASP A 50 17.969 -5.580 -9.826 1.00 73.51 O ATOM 0 H ASP A 50 17.098 -2.577 -5.327 1.00 13.24 H new ATOM 0 HA ASP A 50 18.174 -2.777 -7.228 1.00 31.53 H new ATOM 0 HB2 ASP A 50 18.252 -5.207 -6.711 1.00 71.00 H new ATOM 0 HB3 ASP A 50 16.767 -5.447 -7.610 1.00 71.00 H new ATOM 821 N GLY A 51 15.255 -3.385 -8.732 1.00 62.42 N ATOM 822 CA GLY A 51 14.293 -2.871 -9.732 1.00 52.22 C ATOM 823 C GLY A 51 12.838 -3.025 -9.291 1.00 10.14 C ATOM 824 O GLY A 51 11.930 -2.464 -9.916 1.00 24.23 O ATOM 0 H GLY A 51 14.977 -4.273 -8.315 1.00 62.42 H new ATOM 0 HA2 GLY A 51 14.501 -1.818 -9.921 1.00 52.22 H new ATOM 0 HA3 GLY A 51 14.440 -3.399 -10.674 1.00 52.22 H new ATOM 828 N THR A 52 12.617 -3.815 -8.222 1.00 34.25 N ATOM 829 CA THR A 52 11.294 -4.027 -7.612 1.00 21.20 C ATOM 830 C THR A 52 11.078 -2.994 -6.489 1.00 33.41 C ATOM 831 O THR A 52 11.942 -2.830 -5.631 1.00 23.32 O ATOM 832 CB THR A 52 11.178 -5.486 -7.042 1.00 51.14 C ATOM 833 OG1 THR A 52 11.600 -6.445 -8.034 1.00 21.52 O ATOM 834 CG2 THR A 52 9.743 -5.822 -6.592 1.00 12.40 C ATOM 0 H THR A 52 13.363 -4.329 -7.754 1.00 34.25 H new ATOM 0 HA THR A 52 10.525 -3.898 -8.373 1.00 21.20 H new ATOM 0 HB THR A 52 11.828 -5.539 -6.169 1.00 51.14 H new ATOM 0 HG1 THR A 52 11.525 -7.350 -7.667 1.00 21.52 H new ATOM 0 HG21 THR A 52 9.712 -6.841 -6.205 1.00 12.40 H new ATOM 0 HG22 THR A 52 9.435 -5.128 -5.810 1.00 12.40 H new ATOM 0 HG23 THR A 52 9.066 -5.736 -7.442 1.00 12.40 H new ATOM 842 N VAL A 53 9.917 -2.312 -6.495 1.00 20.21 N ATOM 843 CA VAL A 53 9.567 -1.327 -5.460 1.00 14.14 C ATOM 844 C VAL A 53 9.035 -2.088 -4.241 1.00 15.43 C ATOM 845 O VAL A 53 7.929 -2.635 -4.263 1.00 72.31 O ATOM 846 CB VAL A 53 8.488 -0.287 -5.956 1.00 74.24 C ATOM 847 CG1 VAL A 53 8.189 0.774 -4.865 1.00 62.34 C ATOM 848 CG2 VAL A 53 8.936 0.376 -7.272 1.00 41.31 C ATOM 0 H VAL A 53 9.202 -2.429 -7.213 1.00 20.21 H new ATOM 0 HA VAL A 53 10.460 -0.755 -5.209 1.00 14.14 H new ATOM 0 HB VAL A 53 7.561 -0.827 -6.149 1.00 74.24 H new ATOM 0 HG11 VAL A 53 7.442 1.476 -5.236 1.00 62.34 H new ATOM 0 HG12 VAL A 53 7.810 0.279 -3.971 1.00 62.34 H new ATOM 0 HG13 VAL A 53 9.105 1.313 -4.621 1.00 62.34 H new ATOM 0 HG21 VAL A 53 8.178 1.089 -7.596 1.00 41.31 H new ATOM 0 HG22 VAL A 53 9.880 0.897 -7.114 1.00 41.31 H new ATOM 0 HG23 VAL A 53 9.067 -0.388 -8.038 1.00 41.31 H new ATOM 858 N GLU A 54 9.853 -2.136 -3.189 1.00 63.14 N ATOM 859 CA GLU A 54 9.558 -2.902 -1.984 1.00 54.01 C ATOM 860 C GLU A 54 8.870 -1.972 -0.973 1.00 73.43 C ATOM 861 O GLU A 54 9.506 -1.100 -0.362 1.00 53.32 O ATOM 862 CB GLU A 54 10.848 -3.521 -1.406 1.00 5.12 C ATOM 863 CG GLU A 54 10.605 -4.440 -0.191 1.00 35.45 C ATOM 864 CD GLU A 54 11.886 -5.072 0.349 1.00 5.34 C ATOM 865 OE1 GLU A 54 12.260 -6.162 -0.121 1.00 31.33 O ATOM 866 OE2 GLU A 54 12.532 -4.477 1.236 1.00 35.02 O ATOM 0 H GLU A 54 10.744 -1.640 -3.152 1.00 63.14 H new ATOM 0 HA GLU A 54 8.888 -3.730 -2.218 1.00 54.01 H new ATOM 0 HB2 GLU A 54 11.348 -4.092 -2.188 1.00 5.12 H new ATOM 0 HB3 GLU A 54 11.526 -2.719 -1.114 1.00 5.12 H new ATOM 0 HG2 GLU A 54 10.129 -3.864 0.603 1.00 35.45 H new ATOM 0 HG3 GLU A 54 9.909 -5.230 -0.474 1.00 35.45 H new ATOM 873 N LEU A 55 7.562 -2.151 -0.863 1.00 60.31 N ATOM 874 CA LEU A 55 6.681 -1.369 -0.002 1.00 1.13 C ATOM 875 C LEU A 55 6.520 -2.093 1.344 1.00 20.20 C ATOM 876 O LEU A 55 6.117 -3.249 1.374 1.00 74.22 O ATOM 877 CB LEU A 55 5.308 -1.233 -0.716 1.00 31.31 C ATOM 878 CG LEU A 55 4.135 -0.644 0.122 1.00 34.11 C ATOM 879 CD1 LEU A 55 4.437 0.785 0.599 1.00 3.55 C ATOM 880 CD2 LEU A 55 2.801 -0.726 -0.653 1.00 54.33 C ATOM 0 H LEU A 55 7.065 -2.870 -1.389 1.00 60.31 H new ATOM 0 HA LEU A 55 7.096 -0.378 0.185 1.00 1.13 H new ATOM 0 HB2 LEU A 55 5.444 -0.606 -1.597 1.00 31.31 H new ATOM 0 HB3 LEU A 55 5.010 -2.220 -1.070 1.00 31.31 H new ATOM 0 HG LEU A 55 4.029 -1.256 1.017 1.00 34.11 H new ATOM 0 HD11 LEU A 55 3.595 1.160 1.180 1.00 3.55 H new ATOM 0 HD12 LEU A 55 5.333 0.780 1.220 1.00 3.55 H new ATOM 0 HD13 LEU A 55 4.598 1.430 -0.264 1.00 3.55 H new ATOM 0 HD21 LEU A 55 2.000 -0.308 -0.044 1.00 54.33 H new ATOM 0 HD22 LEU A 55 2.884 -0.161 -1.581 1.00 54.33 H new ATOM 0 HD23 LEU A 55 2.577 -1.768 -0.882 1.00 54.33 H new ATOM 892 N ARG A 56 6.871 -1.428 2.458 1.00 11.02 N ATOM 893 CA ARG A 56 6.612 -1.967 3.811 1.00 4.00 C ATOM 894 C ARG A 56 5.512 -1.126 4.467 1.00 3.43 C ATOM 895 O ARG A 56 5.734 0.044 4.807 1.00 0.32 O ATOM 896 CB ARG A 56 7.891 -2.000 4.707 1.00 72.25 C ATOM 897 CG ARG A 56 8.981 -3.029 4.291 1.00 3.44 C ATOM 898 CD ARG A 56 9.727 -2.649 3.002 1.00 55.12 C ATOM 899 NE ARG A 56 10.284 -1.285 3.100 1.00 43.41 N ATOM 900 CZ ARG A 56 11.413 -0.851 2.527 1.00 54.23 C ATOM 901 NH1 ARG A 56 12.157 -1.657 1.775 1.00 23.21 N ATOM 902 NH2 ARG A 56 11.809 0.397 2.755 1.00 31.15 N ATOM 0 H ARG A 56 7.334 -0.519 2.452 1.00 11.02 H new ATOM 0 HA ARG A 56 6.291 -3.004 3.710 1.00 4.00 H new ATOM 0 HB2 ARG A 56 8.338 -1.006 4.707 1.00 72.25 H new ATOM 0 HB3 ARG A 56 7.588 -2.214 5.732 1.00 72.25 H new ATOM 0 HG2 ARG A 56 9.702 -3.129 5.102 1.00 3.44 H new ATOM 0 HG3 ARG A 56 8.515 -4.005 4.157 1.00 3.44 H new ATOM 0 HD2 ARG A 56 10.530 -3.362 2.818 1.00 55.12 H new ATOM 0 HD3 ARG A 56 9.047 -2.709 2.152 1.00 55.12 H new ATOM 0 HE ARG A 56 9.759 -0.610 3.657 1.00 43.41 H new ATOM 0 HH11 ARG A 56 11.870 -2.625 1.627 1.00 23.21 H new ATOM 0 HH12 ARG A 56 13.014 -1.308 1.347 1.00 23.21 H new ATOM 0 HH21 ARG A 56 11.255 1.006 3.358 1.00 31.15 H new ATOM 0 HH22 ARG A 56 12.667 0.746 2.327 1.00 31.15 H new ATOM 916 N ILE A 57 4.314 -1.717 4.575 1.00 11.42 N ATOM 917 CA ILE A 57 3.170 -1.122 5.272 1.00 5.10 C ATOM 918 C ILE A 57 3.096 -1.717 6.685 1.00 50.52 C ATOM 919 O ILE A 57 3.232 -2.929 6.869 1.00 44.05 O ATOM 920 CB ILE A 57 1.819 -1.397 4.508 1.00 32.25 C ATOM 921 CG1 ILE A 57 1.799 -0.715 3.114 1.00 21.22 C ATOM 922 CG2 ILE A 57 0.591 -0.954 5.337 1.00 53.11 C ATOM 923 CD1 ILE A 57 1.747 0.798 3.160 1.00 74.10 C ATOM 0 H ILE A 57 4.112 -2.633 4.175 1.00 11.42 H new ATOM 0 HA ILE A 57 3.309 -0.042 5.316 1.00 5.10 H new ATOM 0 HB ILE A 57 1.759 -2.475 4.361 1.00 32.25 H new ATOM 0 HG12 ILE A 57 2.688 -1.019 2.561 1.00 21.22 H new ATOM 0 HG13 ILE A 57 0.936 -1.080 2.557 1.00 21.22 H new ATOM 0 HG21 ILE A 57 -0.320 -1.160 4.776 1.00 53.11 H new ATOM 0 HG22 ILE A 57 0.570 -1.503 6.278 1.00 53.11 H new ATOM 0 HG23 ILE A 57 0.657 0.115 5.542 1.00 53.11 H new ATOM 0 HD11 ILE A 57 1.736 1.193 2.144 1.00 74.10 H new ATOM 0 HD12 ILE A 57 0.845 1.115 3.682 1.00 74.10 H new ATOM 0 HD13 ILE A 57 2.623 1.176 3.687 1.00 74.10 H new ATOM 935 N LYS A 58 2.885 -0.849 7.670 1.00 54.24 N ATOM 936 CA LYS A 58 2.735 -1.231 9.069 1.00 62.22 C ATOM 937 C LYS A 58 1.418 -0.636 9.578 1.00 35.44 C ATOM 938 O LYS A 58 1.313 0.573 9.780 1.00 2.04 O ATOM 939 CB LYS A 58 3.969 -0.719 9.861 1.00 22.51 C ATOM 940 CG LYS A 58 4.014 -1.147 11.336 1.00 31.41 C ATOM 941 CD LYS A 58 5.349 -0.770 12.027 1.00 72.11 C ATOM 942 CE LYS A 58 5.474 -1.360 13.437 1.00 11.32 C ATOM 943 NZ LYS A 58 6.807 -1.102 14.040 1.00 34.13 N ATOM 0 H LYS A 58 2.812 0.157 7.515 1.00 54.24 H new ATOM 0 HA LYS A 58 2.693 -2.312 9.199 1.00 62.22 H new ATOM 0 HB2 LYS A 58 4.873 -1.075 9.367 1.00 22.51 H new ATOM 0 HB3 LYS A 58 3.987 0.370 9.813 1.00 22.51 H new ATOM 0 HG2 LYS A 58 3.188 -0.679 11.871 1.00 31.41 H new ATOM 0 HG3 LYS A 58 3.867 -2.225 11.402 1.00 31.41 H new ATOM 0 HD2 LYS A 58 6.181 -1.120 11.416 1.00 72.11 H new ATOM 0 HD3 LYS A 58 5.430 0.316 12.084 1.00 72.11 H new ATOM 0 HE2 LYS A 58 4.700 -0.935 14.076 1.00 11.32 H new ATOM 0 HE3 LYS A 58 5.298 -2.435 13.396 1.00 11.32 H new ATOM 0 HZ1 LYS A 58 6.844 -1.519 14.992 1.00 34.13 H new ATOM 0 HZ2 LYS A 58 7.546 -1.530 13.446 1.00 34.13 H new ATOM 0 HZ3 LYS A 58 6.966 -0.076 14.105 1.00 34.13 H new ATOM 957 N VAL A 59 0.384 -1.487 9.711 1.00 53.43 N ATOM 958 CA VAL A 59 -0.959 -1.066 10.150 1.00 63.40 C ATOM 959 C VAL A 59 -1.196 -1.504 11.596 1.00 13.15 C ATOM 960 O VAL A 59 -1.316 -2.701 11.882 1.00 73.02 O ATOM 961 CB VAL A 59 -2.107 -1.655 9.247 1.00 44.50 C ATOM 962 CG1 VAL A 59 -3.498 -1.212 9.757 1.00 64.41 C ATOM 963 CG2 VAL A 59 -1.915 -1.271 7.769 1.00 71.52 C ATOM 0 H VAL A 59 0.456 -2.486 9.517 1.00 53.43 H new ATOM 0 HA VAL A 59 -0.990 0.020 10.065 1.00 63.40 H new ATOM 0 HB VAL A 59 -2.052 -2.741 9.315 1.00 44.50 H new ATOM 0 HG11 VAL A 59 -4.272 -1.633 9.115 1.00 64.41 H new ATOM 0 HG12 VAL A 59 -3.641 -1.566 10.778 1.00 64.41 H new ATOM 0 HG13 VAL A 59 -3.563 -0.124 9.738 1.00 64.41 H new ATOM 0 HG21 VAL A 59 -2.725 -1.694 7.175 1.00 71.52 H new ATOM 0 HG22 VAL A 59 -1.922 -0.185 7.671 1.00 71.52 H new ATOM 0 HG23 VAL A 59 -0.962 -1.661 7.413 1.00 71.52 H new ATOM 973 N LYS A 60 -1.244 -0.530 12.500 1.00 64.20 N ATOM 974 CA LYS A 60 -1.674 -0.743 13.875 1.00 54.22 C ATOM 975 C LYS A 60 -3.178 -0.438 13.955 1.00 31.43 C ATOM 976 O LYS A 60 -3.585 0.719 13.839 1.00 13.34 O ATOM 977 CB LYS A 60 -0.886 0.175 14.831 1.00 52.34 C ATOM 978 CG LYS A 60 -1.144 -0.124 16.318 1.00 4.43 C ATOM 979 CD LYS A 60 -0.368 0.804 17.275 1.00 2.43 C ATOM 980 CE LYS A 60 -0.790 2.276 17.136 1.00 33.20 C ATOM 981 NZ LYS A 60 -0.078 3.152 18.102 1.00 13.24 N ATOM 0 H LYS A 60 -0.984 0.435 12.296 1.00 64.20 H new ATOM 0 HA LYS A 60 -1.485 -1.774 14.173 1.00 54.22 H new ATOM 0 HB2 LYS A 60 0.180 0.070 14.627 1.00 52.34 H new ATOM 0 HB3 LYS A 60 -1.150 1.213 14.626 1.00 52.34 H new ATOM 0 HG2 LYS A 60 -2.211 -0.031 16.520 1.00 4.43 H new ATOM 0 HG3 LYS A 60 -0.870 -1.158 16.526 1.00 4.43 H new ATOM 0 HD2 LYS A 60 -0.529 0.478 18.303 1.00 2.43 H new ATOM 0 HD3 LYS A 60 0.700 0.715 17.076 1.00 2.43 H new ATOM 0 HE2 LYS A 60 -0.588 2.617 16.120 1.00 33.20 H new ATOM 0 HE3 LYS A 60 -1.865 2.361 17.293 1.00 33.20 H new ATOM 0 HZ1 LYS A 60 -0.391 4.136 17.975 1.00 13.24 H new ATOM 0 HZ2 LYS A 60 -0.290 2.844 19.072 1.00 13.24 H new ATOM 0 HZ3 LYS A 60 0.947 3.091 17.936 1.00 13.24 H new ATOM 995 N ALA A 61 -3.990 -1.472 14.147 1.00 63.34 N ATOM 996 CA ALA A 61 -5.461 -1.360 14.174 1.00 34.13 C ATOM 997 C ALA A 61 -6.013 -2.135 15.374 1.00 50.32 C ATOM 998 O ALA A 61 -5.256 -2.823 16.070 1.00 21.44 O ATOM 999 CB ALA A 61 -6.062 -1.879 12.855 1.00 11.32 C ATOM 0 H ALA A 61 -3.652 -2.424 14.290 1.00 63.34 H new ATOM 0 HA ALA A 61 -5.742 -0.312 14.278 1.00 34.13 H new ATOM 0 HB1 ALA A 61 -7.148 -1.790 12.890 1.00 11.32 H new ATOM 0 HB2 ALA A 61 -5.676 -1.290 12.023 1.00 11.32 H new ATOM 0 HB3 ALA A 61 -5.788 -2.925 12.717 1.00 11.32 H new ATOM 1005 N ASP A 62 -7.335 -2.015 15.596 1.00 65.21 N ATOM 1006 CA ASP A 62 -8.058 -2.703 16.686 1.00 52.24 C ATOM 1007 C ASP A 62 -7.814 -4.229 16.649 1.00 55.41 C ATOM 1008 O ASP A 62 -7.277 -4.805 17.596 1.00 40.34 O ATOM 1009 CB ASP A 62 -9.577 -2.380 16.572 1.00 20.00 C ATOM 1010 CG ASP A 62 -10.478 -3.251 17.471 1.00 11.05 C ATOM 1011 OD1 ASP A 62 -10.386 -3.137 18.711 1.00 70.04 O ATOM 1012 OD2 ASP A 62 -11.280 -4.054 16.936 1.00 3.41 O ATOM 0 H ASP A 62 -7.940 -1.431 15.018 1.00 65.21 H new ATOM 0 HA ASP A 62 -7.681 -2.343 17.643 1.00 52.24 H new ATOM 0 HB2 ASP A 62 -9.734 -1.332 16.826 1.00 20.00 H new ATOM 0 HB3 ASP A 62 -9.887 -2.506 15.535 1.00 20.00 H new ATOM 1017 N THR A 63 -8.193 -4.852 15.532 1.00 2.44 N ATOM 1018 CA THR A 63 -8.039 -6.305 15.307 1.00 74.14 C ATOM 1019 C THR A 63 -7.494 -6.561 13.893 1.00 70.01 C ATOM 1020 O THR A 63 -7.482 -5.640 13.058 1.00 24.24 O ATOM 1021 CB THR A 63 -9.402 -7.046 15.514 1.00 63.23 C ATOM 1022 OG1 THR A 63 -10.453 -6.313 14.864 1.00 55.34 O ATOM 1023 CG2 THR A 63 -9.747 -7.248 17.005 1.00 45.01 C ATOM 0 H THR A 63 -8.621 -4.364 14.745 1.00 2.44 H new ATOM 0 HA THR A 63 -7.329 -6.698 16.035 1.00 74.14 H new ATOM 0 HB THR A 63 -9.304 -8.037 15.071 1.00 63.23 H new ATOM 0 HG1 THR A 63 -10.762 -5.593 15.452 1.00 55.34 H new ATOM 0 HG21 THR A 63 -10.702 -7.767 17.090 1.00 45.01 H new ATOM 0 HG22 THR A 63 -8.967 -7.842 17.482 1.00 45.01 H new ATOM 0 HG23 THR A 63 -9.816 -6.278 17.497 1.00 45.01 H new ATOM 1031 N GLU A 64 -7.053 -7.818 13.626 1.00 51.05 N ATOM 1032 CA GLU A 64 -6.427 -8.173 12.342 1.00 73.15 C ATOM 1033 C GLU A 64 -7.443 -8.112 11.196 1.00 40.45 C ATOM 1034 O GLU A 64 -7.060 -7.839 10.085 1.00 61.12 O ATOM 1035 CB GLU A 64 -5.737 -9.565 12.382 1.00 21.14 C ATOM 1036 CG GLU A 64 -6.706 -10.768 12.430 1.00 14.33 C ATOM 1037 CD GLU A 64 -6.051 -12.089 12.017 1.00 4.24 C ATOM 1038 OE1 GLU A 64 -5.682 -12.218 10.832 1.00 15.32 O ATOM 1039 OE2 GLU A 64 -5.907 -12.999 12.861 1.00 53.25 O ATOM 0 H GLU A 64 -7.123 -8.594 14.285 1.00 51.05 H new ATOM 0 HA GLU A 64 -5.649 -7.431 12.160 1.00 73.15 H new ATOM 0 HB2 GLU A 64 -5.100 -9.664 11.503 1.00 21.14 H new ATOM 0 HB3 GLU A 64 -5.085 -9.607 13.255 1.00 21.14 H new ATOM 0 HG2 GLU A 64 -7.102 -10.867 13.441 1.00 14.33 H new ATOM 0 HG3 GLU A 64 -7.553 -10.570 11.774 1.00 14.33 H new ATOM 1046 N GLU A 65 -8.739 -8.338 11.495 1.00 71.31 N ATOM 1047 CA GLU A 65 -9.831 -8.243 10.502 1.00 14.13 C ATOM 1048 C GLU A 65 -9.824 -6.859 9.821 1.00 20.14 C ATOM 1049 O GLU A 65 -9.869 -6.751 8.588 1.00 42.21 O ATOM 1050 CB GLU A 65 -11.192 -8.491 11.206 1.00 41.03 C ATOM 1051 CG GLU A 65 -12.425 -8.482 10.271 1.00 11.45 C ATOM 1052 CD GLU A 65 -12.390 -9.578 9.185 1.00 71.25 C ATOM 1053 OE1 GLU A 65 -12.653 -10.753 9.504 1.00 51.35 O ATOM 1054 OE2 GLU A 65 -12.108 -9.272 8.007 1.00 43.22 O ATOM 0 H GLU A 65 -9.058 -8.591 12.430 1.00 71.31 H new ATOM 0 HA GLU A 65 -9.680 -9.001 9.733 1.00 14.13 H new ATOM 0 HB2 GLU A 65 -11.149 -9.453 11.717 1.00 41.03 H new ATOM 0 HB3 GLU A 65 -11.331 -7.729 11.973 1.00 41.03 H new ATOM 0 HG2 GLU A 65 -13.326 -8.607 10.872 1.00 11.45 H new ATOM 0 HG3 GLU A 65 -12.496 -7.507 9.788 1.00 11.45 H new ATOM 1061 N LYS A 66 -9.719 -5.819 10.665 1.00 2.14 N ATOM 1062 CA LYS A 66 -9.654 -4.424 10.224 1.00 73.41 C ATOM 1063 C LYS A 66 -8.313 -4.142 9.534 1.00 75.45 C ATOM 1064 O LYS A 66 -8.281 -3.561 8.454 1.00 10.01 O ATOM 1065 CB LYS A 66 -9.869 -3.478 11.435 1.00 3.25 C ATOM 1066 CG LYS A 66 -11.233 -3.679 12.131 1.00 54.12 C ATOM 1067 CD LYS A 66 -11.517 -2.632 13.226 1.00 23.02 C ATOM 1068 CE LYS A 66 -12.935 -2.758 13.797 1.00 61.24 C ATOM 1069 NZ LYS A 66 -13.218 -1.723 14.819 1.00 30.55 N ATOM 0 H LYS A 66 -9.677 -5.928 11.678 1.00 2.14 H new ATOM 0 HA LYS A 66 -10.447 -4.241 9.499 1.00 73.41 H new ATOM 0 HB2 LYS A 66 -9.071 -3.640 12.160 1.00 3.25 H new ATOM 0 HB3 LYS A 66 -9.789 -2.444 11.099 1.00 3.25 H new ATOM 0 HG2 LYS A 66 -12.025 -3.637 11.383 1.00 54.12 H new ATOM 0 HG3 LYS A 66 -11.265 -4.675 12.573 1.00 54.12 H new ATOM 0 HD2 LYS A 66 -10.792 -2.746 14.032 1.00 23.02 H new ATOM 0 HD3 LYS A 66 -11.381 -1.632 12.814 1.00 23.02 H new ATOM 0 HE2 LYS A 66 -13.660 -2.675 12.987 1.00 61.24 H new ATOM 0 HE3 LYS A 66 -13.061 -3.747 14.238 1.00 61.24 H new ATOM 0 HZ1 LYS A 66 -14.186 -1.845 15.178 1.00 30.55 H new ATOM 0 HZ2 LYS A 66 -12.543 -1.817 15.605 1.00 30.55 H new ATOM 0 HZ3 LYS A 66 -13.123 -0.779 14.393 1.00 30.55 H new ATOM 1083 N ALA A 67 -7.226 -4.634 10.151 1.00 62.52 N ATOM 1084 CA ALA A 67 -5.843 -4.381 9.707 1.00 43.24 C ATOM 1085 C ALA A 67 -5.554 -4.953 8.296 1.00 74.20 C ATOM 1086 O ALA A 67 -4.955 -4.269 7.462 1.00 2.42 O ATOM 1087 CB ALA A 67 -4.873 -4.952 10.742 1.00 44.41 C ATOM 0 H ALA A 67 -7.282 -5.225 10.981 1.00 62.52 H new ATOM 0 HA ALA A 67 -5.705 -3.303 9.627 1.00 43.24 H new ATOM 0 HB1 ALA A 67 -3.848 -4.768 10.420 1.00 44.41 H new ATOM 0 HB2 ALA A 67 -5.043 -4.470 11.705 1.00 44.41 H new ATOM 0 HB3 ALA A 67 -5.036 -6.025 10.840 1.00 44.41 H new ATOM 1093 N LYS A 68 -6.014 -6.198 8.046 1.00 24.51 N ATOM 1094 CA LYS A 68 -5.842 -6.898 6.756 1.00 73.31 C ATOM 1095 C LYS A 68 -6.695 -6.229 5.668 1.00 64.24 C ATOM 1096 O LYS A 68 -6.297 -6.190 4.500 1.00 62.41 O ATOM 1097 CB LYS A 68 -6.249 -8.395 6.876 1.00 61.42 C ATOM 1098 CG LYS A 68 -5.438 -9.228 7.887 1.00 51.44 C ATOM 1099 CD LYS A 68 -3.954 -9.361 7.515 1.00 0.03 C ATOM 1100 CE LYS A 68 -3.180 -10.180 8.553 1.00 50.14 C ATOM 1101 NZ LYS A 68 -3.758 -11.540 8.740 1.00 74.40 N ATOM 0 H LYS A 68 -6.519 -6.749 8.740 1.00 24.51 H new ATOM 0 HA LYS A 68 -4.788 -6.838 6.483 1.00 73.31 H new ATOM 0 HB2 LYS A 68 -7.302 -8.445 7.153 1.00 61.42 H new ATOM 0 HB3 LYS A 68 -6.156 -8.858 5.894 1.00 61.42 H new ATOM 0 HG2 LYS A 68 -5.518 -8.769 8.872 1.00 51.44 H new ATOM 0 HG3 LYS A 68 -5.877 -10.223 7.962 1.00 51.44 H new ATOM 0 HD2 LYS A 68 -3.865 -9.835 6.538 1.00 0.03 H new ATOM 0 HD3 LYS A 68 -3.510 -8.369 7.430 1.00 0.03 H new ATOM 0 HE2 LYS A 68 -2.139 -10.269 8.241 1.00 50.14 H new ATOM 0 HE3 LYS A 68 -3.183 -9.651 9.506 1.00 50.14 H new ATOM 0 HZ1 LYS A 68 -2.993 -12.220 8.924 1.00 74.40 H new ATOM 0 HZ2 LYS A 68 -4.414 -11.530 9.547 1.00 74.40 H new ATOM 0 HZ3 LYS A 68 -4.271 -11.820 7.880 1.00 74.40 H new ATOM 1115 N SER A 69 -7.873 -5.714 6.081 1.00 62.52 N ATOM 1116 CA SER A 69 -8.799 -5.004 5.185 1.00 71.11 C ATOM 1117 C SER A 69 -8.150 -3.703 4.689 1.00 2.02 C ATOM 1118 O SER A 69 -8.220 -3.396 3.509 1.00 34.41 O ATOM 1119 CB SER A 69 -10.136 -4.711 5.901 1.00 42.00 C ATOM 1120 OG SER A 69 -11.058 -4.042 5.044 1.00 55.15 O ATOM 0 H SER A 69 -8.204 -5.781 7.043 1.00 62.52 H new ATOM 0 HA SER A 69 -9.013 -5.639 4.325 1.00 71.11 H new ATOM 0 HB2 SER A 69 -10.575 -5.646 6.249 1.00 42.00 H new ATOM 0 HB3 SER A 69 -9.950 -4.099 6.783 1.00 42.00 H new ATOM 0 HG SER A 69 -11.610 -3.428 5.573 1.00 55.15 H new ATOM 1126 N ILE A 70 -7.467 -2.985 5.607 1.00 24.03 N ATOM 1127 CA ILE A 70 -6.737 -1.736 5.294 1.00 20.02 C ATOM 1128 C ILE A 70 -5.625 -2.009 4.261 1.00 41.04 C ATOM 1129 O ILE A 70 -5.473 -1.252 3.300 1.00 51.23 O ATOM 1130 CB ILE A 70 -6.134 -1.100 6.602 1.00 34.13 C ATOM 1131 CG1 ILE A 70 -7.288 -0.730 7.586 1.00 33.43 C ATOM 1132 CG2 ILE A 70 -5.237 0.128 6.288 1.00 40.11 C ATOM 1133 CD1 ILE A 70 -6.851 -0.347 8.985 1.00 73.32 C ATOM 0 H ILE A 70 -7.406 -3.256 6.589 1.00 24.03 H new ATOM 0 HA ILE A 70 -7.442 -1.024 4.864 1.00 20.02 H new ATOM 0 HB ILE A 70 -5.489 -1.839 7.079 1.00 34.13 H new ATOM 0 HG12 ILE A 70 -7.854 0.099 7.161 1.00 33.43 H new ATOM 0 HG13 ILE A 70 -7.969 -1.578 7.656 1.00 33.43 H new ATOM 0 HG21 ILE A 70 -4.841 0.537 7.218 1.00 40.11 H new ATOM 0 HG22 ILE A 70 -4.411 -0.179 5.646 1.00 40.11 H new ATOM 0 HG23 ILE A 70 -5.828 0.890 5.779 1.00 40.11 H new ATOM 0 HD11 ILE A 70 -7.728 -0.109 9.588 1.00 73.32 H new ATOM 0 HD12 ILE A 70 -6.314 -1.180 9.439 1.00 73.32 H new ATOM 0 HD13 ILE A 70 -6.197 0.523 8.936 1.00 73.32 H new ATOM 1145 N ILE A 71 -4.890 -3.126 4.463 1.00 75.14 N ATOM 1146 CA ILE A 71 -3.861 -3.603 3.515 1.00 74.35 C ATOM 1147 C ILE A 71 -4.498 -3.878 2.137 1.00 74.12 C ATOM 1148 O ILE A 71 -3.950 -3.475 1.112 1.00 61.14 O ATOM 1149 CB ILE A 71 -3.148 -4.908 4.041 1.00 4.12 C ATOM 1150 CG1 ILE A 71 -2.476 -4.651 5.430 1.00 24.11 C ATOM 1151 CG2 ILE A 71 -2.123 -5.457 3.009 1.00 42.32 C ATOM 1152 CD1 ILE A 71 -1.960 -5.903 6.128 1.00 3.15 C ATOM 0 H ILE A 71 -4.994 -3.720 5.286 1.00 75.14 H new ATOM 0 HA ILE A 71 -3.108 -2.820 3.421 1.00 74.35 H new ATOM 0 HB ILE A 71 -3.912 -5.674 4.172 1.00 4.12 H new ATOM 0 HG12 ILE A 71 -1.645 -3.959 5.294 1.00 24.11 H new ATOM 0 HG13 ILE A 71 -3.198 -4.159 6.082 1.00 24.11 H new ATOM 0 HG21 ILE A 71 -1.652 -6.356 3.407 1.00 42.32 H new ATOM 0 HG22 ILE A 71 -2.637 -5.698 2.078 1.00 42.32 H new ATOM 0 HG23 ILE A 71 -1.360 -4.702 2.817 1.00 42.32 H new ATOM 0 HD11 ILE A 71 -1.511 -5.628 7.082 1.00 3.15 H new ATOM 0 HD12 ILE A 71 -2.788 -6.591 6.301 1.00 3.15 H new ATOM 0 HD13 ILE A 71 -1.211 -6.387 5.501 1.00 3.15 H new ATOM 1164 N LYS A 72 -5.693 -4.516 2.155 1.00 23.14 N ATOM 1165 CA LYS A 72 -6.428 -4.925 0.940 1.00 10.33 C ATOM 1166 C LYS A 72 -6.822 -3.679 0.126 1.00 35.54 C ATOM 1167 O LYS A 72 -6.628 -3.656 -1.089 1.00 31.42 O ATOM 1168 CB LYS A 72 -7.671 -5.798 1.332 1.00 4.53 C ATOM 1169 CG LYS A 72 -8.244 -6.729 0.223 1.00 21.34 C ATOM 1170 CD LYS A 72 -9.063 -6.002 -0.870 1.00 65.41 C ATOM 1171 CE LYS A 72 -9.533 -6.954 -1.984 1.00 54.44 C ATOM 1172 NZ LYS A 72 -8.386 -7.601 -2.675 1.00 41.32 N ATOM 0 H LYS A 72 -6.175 -4.762 3.020 1.00 23.14 H new ATOM 0 HA LYS A 72 -5.788 -5.541 0.308 1.00 10.33 H new ATOM 0 HB2 LYS A 72 -7.398 -6.415 2.188 1.00 4.53 H new ATOM 0 HB3 LYS A 72 -8.467 -5.130 1.661 1.00 4.53 H new ATOM 0 HG2 LYS A 72 -7.417 -7.257 -0.252 1.00 21.34 H new ATOM 0 HG3 LYS A 72 -8.877 -7.483 0.691 1.00 21.34 H new ATOM 0 HD2 LYS A 72 -9.931 -5.526 -0.413 1.00 65.41 H new ATOM 0 HD3 LYS A 72 -8.457 -5.208 -1.306 1.00 65.41 H new ATOM 0 HE2 LYS A 72 -10.181 -7.720 -1.558 1.00 54.44 H new ATOM 0 HE3 LYS A 72 -10.129 -6.400 -2.709 1.00 54.44 H new ATOM 0 HZ1 LYS A 72 -8.735 -8.155 -3.483 1.00 41.32 H new ATOM 0 HZ2 LYS A 72 -7.728 -6.870 -3.015 1.00 41.32 H new ATOM 0 HZ3 LYS A 72 -7.891 -8.231 -2.011 1.00 41.32 H new ATOM 1186 N LEU A 73 -7.331 -2.638 0.829 1.00 30.21 N ATOM 1187 CA LEU A 73 -7.677 -1.343 0.211 1.00 34.42 C ATOM 1188 C LEU A 73 -6.433 -0.746 -0.478 1.00 24.10 C ATOM 1189 O LEU A 73 -6.487 -0.442 -1.662 1.00 43.41 O ATOM 1190 CB LEU A 73 -8.281 -0.343 1.256 1.00 2.21 C ATOM 1191 CG LEU A 73 -9.832 -0.407 1.487 1.00 73.24 C ATOM 1192 CD1 LEU A 73 -10.304 -1.783 1.984 1.00 3.33 C ATOM 1193 CD2 LEU A 73 -10.283 0.723 2.441 1.00 45.30 C ATOM 0 H LEU A 73 -7.511 -2.675 1.832 1.00 30.21 H new ATOM 0 HA LEU A 73 -8.448 -1.517 -0.540 1.00 34.42 H new ATOM 0 HB2 LEU A 73 -7.788 -0.514 2.213 1.00 2.21 H new ATOM 0 HB3 LEU A 73 -8.026 0.670 0.943 1.00 2.21 H new ATOM 0 HG LEU A 73 -10.308 -0.256 0.518 1.00 73.24 H new ATOM 0 HD11 LEU A 73 -11.385 -1.768 2.126 1.00 3.33 H new ATOM 0 HD12 LEU A 73 -10.046 -2.544 1.248 1.00 3.33 H new ATOM 0 HD13 LEU A 73 -9.817 -2.014 2.931 1.00 3.33 H new ATOM 0 HD21 LEU A 73 -11.361 0.664 2.591 1.00 45.30 H new ATOM 0 HD22 LEU A 73 -9.777 0.613 3.400 1.00 45.30 H new ATOM 0 HD23 LEU A 73 -10.029 1.690 2.006 1.00 45.30 H new ATOM 1205 N ILE A 74 -5.306 -0.675 0.274 1.00 62.11 N ATOM 1206 CA ILE A 74 -4.013 -0.142 -0.218 1.00 64.24 C ATOM 1207 C ILE A 74 -3.574 -0.854 -1.520 1.00 21.51 C ATOM 1208 O ILE A 74 -3.180 -0.188 -2.474 1.00 2.15 O ATOM 1209 CB ILE A 74 -2.893 -0.262 0.896 1.00 61.43 C ATOM 1210 CG1 ILE A 74 -3.231 0.668 2.111 1.00 4.41 C ATOM 1211 CG2 ILE A 74 -1.477 0.042 0.345 1.00 11.23 C ATOM 1212 CD1 ILE A 74 -2.282 0.565 3.300 1.00 74.31 C ATOM 0 H ILE A 74 -5.270 -0.988 1.244 1.00 62.11 H new ATOM 0 HA ILE A 74 -4.153 0.915 -0.447 1.00 64.24 H new ATOM 0 HB ILE A 74 -2.882 -1.298 1.235 1.00 61.43 H new ATOM 0 HG12 ILE A 74 -3.240 1.701 1.764 1.00 4.41 H new ATOM 0 HG13 ILE A 74 -4.240 0.438 2.453 1.00 4.41 H new ATOM 0 HG21 ILE A 74 -0.746 -0.054 1.148 1.00 11.23 H new ATOM 0 HG22 ILE A 74 -1.237 -0.663 -0.451 1.00 11.23 H new ATOM 0 HG23 ILE A 74 -1.451 1.057 -0.050 1.00 11.23 H new ATOM 0 HD11 ILE A 74 -2.606 1.249 4.084 1.00 74.31 H new ATOM 0 HD12 ILE A 74 -2.288 -0.455 3.683 1.00 74.31 H new ATOM 0 HD13 ILE A 74 -1.273 0.828 2.984 1.00 74.31 H new ATOM 1224 N GLU A 75 -3.712 -2.198 -1.549 1.00 62.04 N ATOM 1225 CA GLU A 75 -3.382 -3.039 -2.725 1.00 41.10 C ATOM 1226 C GLU A 75 -4.183 -2.603 -3.960 1.00 2.12 C ATOM 1227 O GLU A 75 -3.612 -2.405 -5.034 1.00 1.24 O ATOM 1228 CB GLU A 75 -3.670 -4.529 -2.423 1.00 71.30 C ATOM 1229 CG GLU A 75 -2.791 -5.157 -1.329 1.00 12.42 C ATOM 1230 CD GLU A 75 -3.252 -6.575 -0.973 1.00 63.33 C ATOM 1231 OE1 GLU A 75 -3.059 -7.493 -1.795 1.00 73.22 O ATOM 1232 OE2 GLU A 75 -3.837 -6.783 0.109 1.00 64.02 O ATOM 0 H GLU A 75 -4.057 -2.735 -0.753 1.00 62.04 H new ATOM 0 HA GLU A 75 -2.320 -2.911 -2.935 1.00 41.10 H new ATOM 0 HB2 GLU A 75 -4.715 -4.628 -2.129 1.00 71.30 H new ATOM 0 HB3 GLU A 75 -3.542 -5.101 -3.342 1.00 71.30 H new ATOM 0 HG2 GLU A 75 -1.755 -5.186 -1.667 1.00 12.42 H new ATOM 0 HG3 GLU A 75 -2.818 -4.531 -0.437 1.00 12.42 H new ATOM 1239 N GLU A 76 -5.508 -2.440 -3.771 1.00 64.34 N ATOM 1240 CA GLU A 76 -6.430 -2.059 -4.853 1.00 34.03 C ATOM 1241 C GLU A 76 -6.096 -0.660 -5.395 1.00 42.14 C ATOM 1242 O GLU A 76 -6.113 -0.431 -6.606 1.00 71.12 O ATOM 1243 CB GLU A 76 -7.906 -2.085 -4.361 1.00 2.34 C ATOM 1244 CG GLU A 76 -8.373 -3.402 -3.710 1.00 23.22 C ATOM 1245 CD GLU A 76 -8.032 -4.665 -4.521 1.00 63.02 C ATOM 1246 OE1 GLU A 76 -8.700 -4.924 -5.540 1.00 71.45 O ATOM 1247 OE2 GLU A 76 -7.105 -5.412 -4.136 1.00 11.35 O ATOM 0 H GLU A 76 -5.964 -2.569 -2.868 1.00 64.34 H new ATOM 0 HA GLU A 76 -6.310 -2.787 -5.655 1.00 34.03 H new ATOM 0 HB2 GLU A 76 -8.044 -1.277 -3.642 1.00 2.34 H new ATOM 0 HB3 GLU A 76 -8.556 -1.871 -5.209 1.00 2.34 H new ATOM 0 HG2 GLU A 76 -7.921 -3.486 -2.722 1.00 23.22 H new ATOM 0 HG3 GLU A 76 -9.452 -3.359 -3.564 1.00 23.22 H new ATOM 1254 N ARG A 77 -5.775 0.257 -4.472 1.00 75.11 N ATOM 1255 CA ARG A 77 -5.573 1.677 -4.778 1.00 14.13 C ATOM 1256 C ARG A 77 -4.272 1.893 -5.568 1.00 61.23 C ATOM 1257 O ARG A 77 -4.280 2.531 -6.629 1.00 64.51 O ATOM 1258 CB ARG A 77 -5.544 2.490 -3.464 1.00 33.32 C ATOM 1259 CG ARG A 77 -6.830 2.417 -2.611 1.00 41.43 C ATOM 1260 CD ARG A 77 -8.065 3.008 -3.299 1.00 34.05 C ATOM 1261 NE ARG A 77 -9.252 2.923 -2.435 1.00 23.23 N ATOM 1262 CZ ARG A 77 -10.299 2.107 -2.627 1.00 32.11 C ATOM 1263 NH1 ARG A 77 -10.345 1.273 -3.671 1.00 41.13 N ATOM 1264 NH2 ARG A 77 -11.294 2.127 -1.756 1.00 52.25 N ATOM 0 H ARG A 77 -5.648 0.031 -3.486 1.00 75.11 H new ATOM 0 HA ARG A 77 -6.401 2.020 -5.398 1.00 14.13 H new ATOM 0 HB2 ARG A 77 -4.707 2.141 -2.859 1.00 33.32 H new ATOM 0 HB3 ARG A 77 -5.348 3.534 -3.707 1.00 33.32 H new ATOM 0 HG2 ARG A 77 -7.029 1.375 -2.360 1.00 41.43 H new ATOM 0 HG3 ARG A 77 -6.662 2.944 -1.672 1.00 41.43 H new ATOM 0 HD2 ARG A 77 -7.876 4.050 -3.558 1.00 34.05 H new ATOM 0 HD3 ARG A 77 -8.253 2.476 -4.232 1.00 34.05 H new ATOM 0 HE ARG A 77 -9.282 3.537 -1.621 1.00 23.23 H new ATOM 0 HH11 ARG A 77 -9.575 1.249 -4.339 1.00 41.13 H new ATOM 0 HH12 ARG A 77 -11.150 0.660 -3.799 1.00 41.13 H new ATOM 0 HH21 ARG A 77 -11.257 2.756 -0.954 1.00 52.25 H new ATOM 0 HH22 ARG A 77 -12.098 1.513 -1.886 1.00 52.25 H new ATOM 1278 N ILE A 78 -3.163 1.330 -5.039 1.00 64.31 N ATOM 1279 CA ILE A 78 -1.824 1.492 -5.633 1.00 54.53 C ATOM 1280 C ILE A 78 -1.753 0.793 -6.999 1.00 31.45 C ATOM 1281 O ILE A 78 -1.116 1.308 -7.912 1.00 3.52 O ATOM 1282 CB ILE A 78 -0.664 0.976 -4.690 1.00 41.14 C ATOM 1283 CG1 ILE A 78 -0.759 -0.566 -4.435 1.00 73.01 C ATOM 1284 CG2 ILE A 78 -0.659 1.761 -3.358 1.00 24.31 C ATOM 1285 CD1 ILE A 78 0.289 -1.144 -3.490 1.00 45.34 C ATOM 0 H ILE A 78 -3.173 0.756 -4.196 1.00 64.31 H new ATOM 0 HA ILE A 78 -1.669 2.563 -5.765 1.00 54.53 H new ATOM 0 HB ILE A 78 0.281 1.156 -5.202 1.00 41.14 H new ATOM 0 HG12 ILE A 78 -1.747 -0.789 -4.033 1.00 73.01 H new ATOM 0 HG13 ILE A 78 -0.681 -1.080 -5.393 1.00 73.01 H new ATOM 0 HG21 ILE A 78 0.146 1.393 -2.722 1.00 24.31 H new ATOM 0 HG22 ILE A 78 -0.505 2.821 -3.561 1.00 24.31 H new ATOM 0 HG23 ILE A 78 -1.614 1.624 -2.851 1.00 24.31 H new ATOM 0 HD11 ILE A 78 0.131 -2.217 -3.384 1.00 45.34 H new ATOM 0 HD12 ILE A 78 1.284 -0.962 -3.895 1.00 45.34 H new ATOM 0 HD13 ILE A 78 0.202 -0.667 -2.514 1.00 45.34 H new ATOM 1297 N GLU A 79 -2.449 -0.365 -7.121 1.00 23.00 N ATOM 1298 CA GLU A 79 -2.555 -1.110 -8.381 1.00 23.11 C ATOM 1299 C GLU A 79 -3.216 -0.234 -9.446 1.00 2.00 C ATOM 1300 O GLU A 79 -2.598 0.093 -10.444 1.00 23.11 O ATOM 1301 CB GLU A 79 -3.397 -2.403 -8.206 1.00 3.42 C ATOM 1302 CG GLU A 79 -3.480 -3.280 -9.485 1.00 11.54 C ATOM 1303 CD GLU A 79 -4.628 -4.300 -9.464 1.00 40.11 C ATOM 1304 OE1 GLU A 79 -4.507 -5.345 -8.795 1.00 4.23 O ATOM 1305 OE2 GLU A 79 -5.664 -4.050 -10.117 1.00 61.32 O ATOM 0 H GLU A 79 -2.948 -0.800 -6.345 1.00 23.00 H new ATOM 0 HA GLU A 79 -1.547 -1.387 -8.688 1.00 23.11 H new ATOM 0 HB2 GLU A 79 -2.969 -2.996 -7.398 1.00 3.42 H new ATOM 0 HB3 GLU A 79 -4.406 -2.128 -7.900 1.00 3.42 H new ATOM 0 HG2 GLU A 79 -3.599 -2.631 -10.352 1.00 11.54 H new ATOM 0 HG3 GLU A 79 -2.537 -3.811 -9.612 1.00 11.54 H new ATOM 1312 N GLU A 80 -4.454 0.196 -9.142 1.00 22.12 N ATOM 1313 CA GLU A 80 -5.356 0.853 -10.102 1.00 13.22 C ATOM 1314 C GLU A 80 -4.742 2.143 -10.705 1.00 44.24 C ATOM 1315 O GLU A 80 -4.887 2.397 -11.904 1.00 54.25 O ATOM 1316 CB GLU A 80 -6.721 1.129 -9.408 1.00 2.14 C ATOM 1317 CG GLU A 80 -7.795 1.823 -10.281 1.00 32.32 C ATOM 1318 CD GLU A 80 -8.080 1.116 -11.623 1.00 72.43 C ATOM 1319 OE1 GLU A 80 -8.532 -0.045 -11.616 1.00 22.43 O ATOM 1320 OE2 GLU A 80 -7.867 1.724 -12.696 1.00 51.11 O ATOM 0 H GLU A 80 -4.860 0.095 -8.212 1.00 22.12 H new ATOM 0 HA GLU A 80 -5.513 0.182 -10.947 1.00 13.22 H new ATOM 0 HB2 GLU A 80 -7.125 0.181 -9.054 1.00 2.14 H new ATOM 0 HB3 GLU A 80 -6.541 1.747 -8.528 1.00 2.14 H new ATOM 0 HG2 GLU A 80 -8.723 1.885 -9.713 1.00 32.32 H new ATOM 0 HG3 GLU A 80 -7.476 2.845 -10.483 1.00 32.32 H new ATOM 1327 N GLU A 81 -4.027 2.923 -9.881 1.00 51.22 N ATOM 1328 CA GLU A 81 -3.434 4.204 -10.311 1.00 61.35 C ATOM 1329 C GLU A 81 -2.107 3.976 -11.057 1.00 23.54 C ATOM 1330 O GLU A 81 -1.880 4.572 -12.120 1.00 43.51 O ATOM 1331 CB GLU A 81 -3.240 5.134 -9.085 1.00 1.21 C ATOM 1332 CG GLU A 81 -4.539 5.413 -8.298 1.00 5.02 C ATOM 1333 CD GLU A 81 -5.712 5.891 -9.183 1.00 41.11 C ATOM 1334 OE1 GLU A 81 -5.715 7.065 -9.608 1.00 11.13 O ATOM 1335 OE2 GLU A 81 -6.632 5.093 -9.462 1.00 75.13 O ATOM 0 H GLU A 81 -3.843 2.689 -8.905 1.00 51.22 H new ATOM 0 HA GLU A 81 -4.117 4.690 -11.008 1.00 61.35 H new ATOM 0 HB2 GLU A 81 -2.509 4.685 -8.413 1.00 1.21 H new ATOM 0 HB3 GLU A 81 -2.821 6.082 -9.423 1.00 1.21 H new ATOM 0 HG2 GLU A 81 -4.838 4.505 -7.774 1.00 5.02 H new ATOM 0 HG3 GLU A 81 -4.338 6.168 -7.538 1.00 5.02 H new ATOM 1342 N LEU A 82 -1.251 3.088 -10.507 1.00 31.35 N ATOM 1343 CA LEU A 82 0.088 2.791 -11.082 1.00 22.01 C ATOM 1344 C LEU A 82 -0.078 2.140 -12.475 1.00 13.10 C ATOM 1345 O LEU A 82 0.657 2.452 -13.408 1.00 73.10 O ATOM 1346 CB LEU A 82 0.892 1.851 -10.124 1.00 12.22 C ATOM 1347 CG LEU A 82 2.442 2.039 -10.025 1.00 63.53 C ATOM 1348 CD1 LEU A 82 3.052 0.957 -9.117 1.00 2.32 C ATOM 1349 CD2 LEU A 82 3.142 2.070 -11.401 1.00 13.22 C ATOM 0 H LEU A 82 -1.461 2.559 -9.660 1.00 31.35 H new ATOM 0 HA LEU A 82 0.646 3.721 -11.193 1.00 22.01 H new ATOM 0 HB2 LEU A 82 0.479 1.966 -9.122 1.00 12.22 H new ATOM 0 HB3 LEU A 82 0.701 0.823 -10.431 1.00 12.22 H new ATOM 0 HG LEU A 82 2.614 3.019 -9.581 1.00 63.53 H new ATOM 0 HD11 LEU A 82 4.131 1.099 -9.056 1.00 2.32 H new ATOM 0 HD12 LEU A 82 2.619 1.033 -8.119 1.00 2.32 H new ATOM 0 HD13 LEU A 82 2.838 -0.028 -9.531 1.00 2.32 H new ATOM 0 HD21 LEU A 82 4.215 2.203 -11.261 1.00 13.22 H new ATOM 0 HD22 LEU A 82 2.958 1.132 -11.924 1.00 13.22 H new ATOM 0 HD23 LEU A 82 2.748 2.898 -11.991 1.00 13.22 H new ATOM 1361 N ARG A 83 -1.096 1.277 -12.579 1.00 43.21 N ATOM 1362 CA ARG A 83 -1.348 0.428 -13.757 1.00 43.13 C ATOM 1363 C ARG A 83 -1.776 1.262 -14.979 1.00 43.14 C ATOM 1364 O ARG A 83 -1.552 0.852 -16.121 1.00 4.23 O ATOM 1365 CB ARG A 83 -2.411 -0.631 -13.391 1.00 21.34 C ATOM 1366 CG ARG A 83 -2.600 -1.776 -14.400 1.00 40.01 C ATOM 1367 CD ARG A 83 -3.648 -2.793 -13.908 1.00 43.23 C ATOM 1368 NE ARG A 83 -3.821 -3.922 -14.829 1.00 73.43 N ATOM 1369 CZ ARG A 83 -4.418 -5.091 -14.530 1.00 14.42 C ATOM 1370 NH1 ARG A 83 -4.932 -5.319 -13.311 1.00 61.54 N ATOM 1371 NH2 ARG A 83 -4.489 -6.035 -15.464 1.00 33.34 N ATOM 0 H ARG A 83 -1.782 1.144 -11.835 1.00 43.21 H new ATOM 0 HA ARG A 83 -0.423 -0.074 -14.040 1.00 43.13 H new ATOM 0 HB2 ARG A 83 -2.146 -1.064 -12.426 1.00 21.34 H new ATOM 0 HB3 ARG A 83 -3.368 -0.126 -13.262 1.00 21.34 H new ATOM 0 HG2 ARG A 83 -2.911 -1.368 -15.362 1.00 40.01 H new ATOM 0 HG3 ARG A 83 -1.648 -2.282 -14.561 1.00 40.01 H new ATOM 0 HD2 ARG A 83 -3.350 -3.170 -12.930 1.00 43.23 H new ATOM 0 HD3 ARG A 83 -4.605 -2.287 -13.777 1.00 43.23 H new ATOM 0 HE ARG A 83 -3.458 -3.812 -15.776 1.00 73.43 H new ATOM 0 HH11 ARG A 83 -4.874 -4.599 -12.590 1.00 61.54 H new ATOM 0 HH12 ARG A 83 -5.380 -6.212 -13.105 1.00 61.54 H new ATOM 0 HH21 ARG A 83 -4.095 -5.867 -16.390 1.00 33.34 H new ATOM 0 HH22 ARG A 83 -4.938 -6.927 -15.255 1.00 33.34 H new ATOM 1385 N LYS A 84 -2.371 2.449 -14.719 1.00 30.23 N ATOM 1386 CA LYS A 84 -2.725 3.421 -15.777 1.00 4.33 C ATOM 1387 C LYS A 84 -1.451 3.967 -16.458 1.00 20.05 C ATOM 1388 O LYS A 84 -1.458 4.285 -17.647 1.00 61.13 O ATOM 1389 CB LYS A 84 -3.542 4.606 -15.194 1.00 3.21 C ATOM 1390 CG LYS A 84 -4.919 4.231 -14.597 1.00 44.20 C ATOM 1391 CD LYS A 84 -5.708 5.474 -14.114 1.00 44.02 C ATOM 1392 CE LYS A 84 -7.077 5.126 -13.513 1.00 33.05 C ATOM 1393 NZ LYS A 84 -6.957 4.356 -12.246 1.00 71.20 N ATOM 0 H LYS A 84 -2.617 2.757 -13.778 1.00 30.23 H new ATOM 0 HA LYS A 84 -3.336 2.899 -16.514 1.00 4.33 H new ATOM 0 HB2 LYS A 84 -2.948 5.088 -14.418 1.00 3.21 H new ATOM 0 HB3 LYS A 84 -3.695 5.343 -15.983 1.00 3.21 H new ATOM 0 HG2 LYS A 84 -5.505 3.700 -15.347 1.00 44.20 H new ATOM 0 HG3 LYS A 84 -4.776 3.547 -13.761 1.00 44.20 H new ATOM 0 HD2 LYS A 84 -5.116 6.005 -13.369 1.00 44.02 H new ATOM 0 HD3 LYS A 84 -5.849 6.155 -14.953 1.00 44.02 H new ATOM 0 HE2 LYS A 84 -7.634 6.044 -13.326 1.00 33.05 H new ATOM 0 HE3 LYS A 84 -7.652 4.546 -14.235 1.00 33.05 H new ATOM 0 HZ1 LYS A 84 -7.552 3.505 -12.300 1.00 71.20 H new ATOM 0 HZ2 LYS A 84 -5.965 4.077 -12.102 1.00 71.20 H new ATOM 0 HZ3 LYS A 84 -7.270 4.947 -11.450 1.00 71.20 H new ATOM 1407 N ARG A 85 -0.364 4.067 -15.673 1.00 75.33 N ATOM 1408 CA ARG A 85 0.924 4.632 -16.123 1.00 12.44 C ATOM 1409 C ARG A 85 1.908 3.519 -16.541 1.00 35.23 C ATOM 1410 O ARG A 85 2.806 3.748 -17.360 1.00 42.23 O ATOM 1411 CB ARG A 85 1.532 5.490 -14.976 1.00 5.30 C ATOM 1412 CG ARG A 85 0.622 6.634 -14.483 1.00 72.33 C ATOM 1413 CD ARG A 85 0.296 7.649 -15.588 1.00 14.04 C ATOM 1414 NE ARG A 85 -0.670 8.652 -15.133 1.00 52.21 N ATOM 1415 CZ ARG A 85 -0.679 9.939 -15.493 1.00 53.41 C ATOM 1416 NH1 ARG A 85 0.249 10.434 -16.319 1.00 15.32 N ATOM 1417 NH2 ARG A 85 -1.660 10.718 -15.070 1.00 42.10 N ATOM 0 H ARG A 85 -0.353 3.756 -14.702 1.00 75.33 H new ATOM 0 HA ARG A 85 0.747 5.258 -16.997 1.00 12.44 H new ATOM 0 HB2 ARG A 85 1.763 4.837 -14.134 1.00 5.30 H new ATOM 0 HB3 ARG A 85 2.476 5.915 -15.318 1.00 5.30 H new ATOM 0 HG2 ARG A 85 -0.306 6.214 -14.096 1.00 72.33 H new ATOM 0 HG3 ARG A 85 1.109 7.149 -13.654 1.00 72.33 H new ATOM 0 HD2 ARG A 85 1.212 8.145 -15.909 1.00 14.04 H new ATOM 0 HD3 ARG A 85 -0.104 7.126 -16.457 1.00 14.04 H new ATOM 0 HE ARG A 85 -1.396 8.342 -14.487 1.00 52.21 H new ATOM 0 HH11 ARG A 85 0.981 9.826 -16.686 1.00 15.32 H new ATOM 0 HH12 ARG A 85 0.225 11.419 -16.582 1.00 15.32 H new ATOM 0 HH21 ARG A 85 -2.396 10.335 -14.477 1.00 42.10 H new ATOM 0 HH22 ARG A 85 -1.681 11.702 -15.336 1.00 42.10 H new ATOM 1431 N ASP A 86 1.708 2.314 -15.987 1.00 42.14 N ATOM 1432 CA ASP A 86 2.639 1.187 -16.148 1.00 23.55 C ATOM 1433 C ASP A 86 1.817 -0.117 -16.258 1.00 21.53 C ATOM 1434 O ASP A 86 1.293 -0.595 -15.251 1.00 63.52 O ATOM 1435 CB ASP A 86 3.623 1.135 -14.935 1.00 42.31 C ATOM 1436 CG ASP A 86 4.904 0.325 -15.204 1.00 12.31 C ATOM 1437 OD1 ASP A 86 4.831 -0.911 -15.325 1.00 11.22 O ATOM 1438 OD2 ASP A 86 5.992 0.933 -15.313 1.00 50.33 O ATOM 0 H ASP A 86 0.894 2.093 -15.413 1.00 42.14 H new ATOM 0 HA ASP A 86 3.234 1.310 -17.053 1.00 23.55 H new ATOM 0 HB2 ASP A 86 3.900 2.153 -14.661 1.00 42.31 H new ATOM 0 HB3 ASP A 86 3.105 0.703 -14.078 1.00 42.31 H new ATOM 1443 N PRO A 87 1.627 -0.682 -17.489 1.00 13.45 N ATOM 1444 CA PRO A 87 0.913 -1.978 -17.679 1.00 14.34 C ATOM 1445 C PRO A 87 1.651 -3.187 -17.055 1.00 74.33 C ATOM 1446 O PRO A 87 1.024 -4.220 -16.793 1.00 44.52 O ATOM 1447 CB PRO A 87 0.805 -2.102 -19.224 1.00 2.25 C ATOM 1448 CG PRO A 87 1.906 -1.237 -19.757 1.00 33.33 C ATOM 1449 CD PRO A 87 2.026 -0.082 -18.790 1.00 71.43 C ATOM 0 HA PRO A 87 -0.053 -1.987 -17.173 1.00 14.34 H new ATOM 0 HB2 PRO A 87 0.924 -3.136 -19.547 1.00 2.25 H new ATOM 0 HB3 PRO A 87 -0.169 -1.767 -19.580 1.00 2.25 H new ATOM 0 HG2 PRO A 87 2.842 -1.791 -19.822 1.00 33.33 H new ATOM 0 HG3 PRO A 87 1.674 -0.884 -20.762 1.00 33.33 H new ATOM 0 HD2 PRO A 87 3.042 0.311 -18.757 1.00 71.43 H new ATOM 0 HD3 PRO A 87 1.373 0.745 -19.069 1.00 71.43 H new ATOM 1457 N ASN A 88 2.974 -3.054 -16.806 1.00 42.43 N ATOM 1458 CA ASN A 88 3.786 -4.122 -16.170 1.00 10.23 C ATOM 1459 C ASN A 88 3.728 -4.024 -14.628 1.00 63.51 C ATOM 1460 O ASN A 88 4.341 -4.848 -13.930 1.00 31.12 O ATOM 1461 CB ASN A 88 5.268 -4.079 -16.672 1.00 15.10 C ATOM 1462 CG ASN A 88 5.439 -4.348 -18.180 1.00 15.02 C ATOM 1463 OD1 ASN A 88 6.361 -3.832 -18.813 1.00 32.12 O ATOM 1464 ND2 ASN A 88 4.579 -5.174 -18.766 1.00 2.21 N ATOM 0 H ASN A 88 3.506 -2.214 -17.036 1.00 42.43 H new ATOM 0 HA ASN A 88 3.357 -5.080 -16.464 1.00 10.23 H new ATOM 0 HB2 ASN A 88 5.689 -3.101 -16.440 1.00 15.10 H new ATOM 0 HB3 ASN A 88 5.848 -4.815 -16.116 1.00 15.10 H new ATOM 0 HD21 ASN A 88 4.676 -5.391 -19.758 1.00 2.21 H new ATOM 0 HD22 ASN A 88 3.822 -5.591 -18.224 1.00 2.21 H new ATOM 1471 N ALA A 89 2.986 -3.016 -14.106 1.00 52.21 N ATOM 1472 CA ALA A 89 2.769 -2.841 -12.662 1.00 20.42 C ATOM 1473 C ALA A 89 1.913 -3.990 -12.091 1.00 22.42 C ATOM 1474 O ALA A 89 0.710 -4.090 -12.374 1.00 62.23 O ATOM 1475 CB ALA A 89 2.134 -1.474 -12.353 1.00 62.32 C ATOM 0 H ALA A 89 2.526 -2.308 -14.678 1.00 52.21 H new ATOM 0 HA ALA A 89 3.743 -2.870 -12.174 1.00 20.42 H new ATOM 0 HB1 ALA A 89 1.987 -1.376 -11.277 1.00 62.32 H new ATOM 0 HB2 ALA A 89 2.793 -0.679 -12.703 1.00 62.32 H new ATOM 0 HB3 ALA A 89 1.172 -1.397 -12.859 1.00 62.32 H new ATOM 1481 N THR A 90 2.563 -4.865 -11.313 1.00 43.11 N ATOM 1482 CA THR A 90 1.923 -5.973 -10.608 1.00 5.33 C ATOM 1483 C THR A 90 2.459 -6.001 -9.167 1.00 74.21 C ATOM 1484 O THR A 90 3.678 -6.032 -8.950 1.00 34.44 O ATOM 1485 CB THR A 90 2.201 -7.338 -11.320 1.00 13.41 C ATOM 1486 OG1 THR A 90 1.727 -7.293 -12.684 1.00 15.23 O ATOM 1487 CG2 THR A 90 1.543 -8.521 -10.581 1.00 53.35 C ATOM 0 H THR A 90 3.570 -4.818 -11.156 1.00 43.11 H new ATOM 0 HA THR A 90 0.843 -5.825 -10.607 1.00 5.33 H new ATOM 0 HB THR A 90 3.279 -7.496 -11.309 1.00 13.41 H new ATOM 0 HG1 THR A 90 1.907 -8.151 -13.121 1.00 15.23 H new ATOM 0 HG21 THR A 90 1.762 -9.448 -11.111 1.00 53.35 H new ATOM 0 HG22 THR A 90 1.937 -8.581 -9.566 1.00 53.35 H new ATOM 0 HG23 THR A 90 0.464 -8.371 -10.543 1.00 53.35 H new ATOM 1495 N ILE A 91 1.543 -5.959 -8.194 1.00 42.22 N ATOM 1496 CA ILE A 91 1.889 -5.953 -6.764 1.00 1.42 C ATOM 1497 C ILE A 91 1.774 -7.380 -6.191 1.00 24.35 C ATOM 1498 O ILE A 91 0.841 -8.125 -6.524 1.00 22.24 O ATOM 1499 CB ILE A 91 1.012 -4.920 -5.933 1.00 60.31 C ATOM 1500 CG1 ILE A 91 -0.478 -5.369 -5.717 1.00 2.03 C ATOM 1501 CG2 ILE A 91 1.052 -3.516 -6.594 1.00 53.42 C ATOM 1502 CD1 ILE A 91 -1.373 -5.351 -6.945 1.00 33.51 C ATOM 0 H ILE A 91 0.539 -5.928 -8.373 1.00 42.22 H new ATOM 0 HA ILE A 91 2.922 -5.618 -6.671 1.00 1.42 H new ATOM 0 HB ILE A 91 1.465 -4.882 -4.942 1.00 60.31 H new ATOM 0 HG12 ILE A 91 -0.475 -6.381 -5.311 1.00 2.03 H new ATOM 0 HG13 ILE A 91 -0.923 -4.723 -4.960 1.00 2.03 H new ATOM 0 HG21 ILE A 91 0.446 -2.822 -6.011 1.00 53.42 H new ATOM 0 HG22 ILE A 91 2.081 -3.159 -6.628 1.00 53.42 H new ATOM 0 HG23 ILE A 91 0.657 -3.580 -7.608 1.00 53.42 H new ATOM 0 HD11 ILE A 91 -2.375 -5.680 -6.670 1.00 33.51 H new ATOM 0 HD12 ILE A 91 -1.421 -4.338 -7.345 1.00 33.51 H new ATOM 0 HD13 ILE A 91 -0.966 -6.021 -7.702 1.00 33.51 H new ATOM 1514 N THR A 92 2.752 -7.774 -5.366 1.00 13.33 N ATOM 1515 CA THR A 92 2.777 -9.088 -4.712 1.00 65.23 C ATOM 1516 C THR A 92 2.836 -8.876 -3.199 1.00 4.33 C ATOM 1517 O THR A 92 3.871 -8.479 -2.659 1.00 13.13 O ATOM 1518 CB THR A 92 3.997 -9.935 -5.198 1.00 33.21 C ATOM 1519 OG1 THR A 92 3.997 -9.987 -6.633 1.00 50.40 O ATOM 1520 CG2 THR A 92 3.966 -11.373 -4.642 1.00 1.21 C ATOM 0 H THR A 92 3.553 -7.187 -5.132 1.00 13.33 H new ATOM 0 HA THR A 92 1.875 -9.641 -4.974 1.00 65.23 H new ATOM 0 HB THR A 92 4.902 -9.453 -4.828 1.00 33.21 H new ATOM 0 HG1 THR A 92 4.762 -10.516 -6.941 1.00 50.40 H new ATOM 0 HG21 THR A 92 4.833 -11.923 -5.007 1.00 1.21 H new ATOM 0 HG22 THR A 92 3.988 -11.342 -3.553 1.00 1.21 H new ATOM 0 HG23 THR A 92 3.055 -11.871 -4.973 1.00 1.21 H new ATOM 1528 N ARG A 93 1.712 -9.134 -2.530 1.00 73.53 N ATOM 1529 CA ARG A 93 1.522 -8.818 -1.114 1.00 5.14 C ATOM 1530 C ARG A 93 1.745 -10.076 -0.266 1.00 44.13 C ATOM 1531 O ARG A 93 0.989 -11.047 -0.365 1.00 63.35 O ATOM 1532 CB ARG A 93 0.103 -8.206 -0.909 1.00 54.13 C ATOM 1533 CG ARG A 93 -0.225 -7.749 0.545 1.00 74.45 C ATOM 1534 CD ARG A 93 -0.875 -8.844 1.422 1.00 64.03 C ATOM 1535 NE ARG A 93 -2.256 -9.137 1.000 1.00 31.33 N ATOM 1536 CZ ARG A 93 -2.685 -10.274 0.433 1.00 25.51 C ATOM 1537 NH1 ARG A 93 -1.845 -11.279 0.183 1.00 41.11 N ATOM 1538 NH2 ARG A 93 -3.966 -10.391 0.123 1.00 4.11 N ATOM 0 H ARG A 93 0.899 -9.573 -2.961 1.00 73.53 H new ATOM 0 HA ARG A 93 2.252 -8.077 -0.788 1.00 5.14 H new ATOM 0 HB2 ARG A 93 -0.004 -7.349 -1.574 1.00 54.13 H new ATOM 0 HB3 ARG A 93 -0.640 -8.942 -1.216 1.00 54.13 H new ATOM 0 HG2 ARG A 93 0.695 -7.413 1.025 1.00 74.45 H new ATOM 0 HG3 ARG A 93 -0.894 -6.889 0.502 1.00 74.45 H new ATOM 0 HD2 ARG A 93 -0.278 -9.754 1.368 1.00 64.03 H new ATOM 0 HD3 ARG A 93 -0.874 -8.523 2.464 1.00 64.03 H new ATOM 0 HE ARG A 93 -2.951 -8.406 1.154 1.00 31.33 H new ATOM 0 HH11 ARG A 93 -0.858 -11.190 0.424 1.00 41.11 H new ATOM 0 HH12 ARG A 93 -2.190 -12.136 -0.249 1.00 41.11 H new ATOM 0 HH21 ARG A 93 -4.610 -9.624 0.316 1.00 4.11 H new ATOM 0 HH22 ARG A 93 -4.310 -11.249 -0.309 1.00 4.11 H new ATOM 1552 N THR A 94 2.811 -10.065 0.541 1.00 60.04 N ATOM 1553 CA THR A 94 3.076 -11.105 1.538 1.00 42.42 C ATOM 1554 C THR A 94 3.003 -10.484 2.932 1.00 1.10 C ATOM 1555 O THR A 94 3.772 -9.560 3.246 1.00 74.34 O ATOM 1556 CB THR A 94 4.476 -11.753 1.314 1.00 41.34 C ATOM 1557 OG1 THR A 94 4.535 -12.330 -0.001 1.00 25.30 O ATOM 1558 CG2 THR A 94 4.810 -12.837 2.361 1.00 33.13 C ATOM 0 H THR A 94 3.518 -9.330 0.520 1.00 60.04 H new ATOM 0 HA THR A 94 2.326 -11.890 1.439 1.00 42.42 H new ATOM 0 HB THR A 94 5.215 -10.959 1.421 1.00 41.34 H new ATOM 0 HG1 THR A 94 5.416 -12.735 -0.141 1.00 25.30 H new ATOM 0 HG21 THR A 94 5.796 -13.252 2.153 1.00 33.13 H new ATOM 0 HG22 THR A 94 4.805 -12.395 3.357 1.00 33.13 H new ATOM 0 HG23 THR A 94 4.065 -13.631 2.313 1.00 33.13 H new ATOM 1566 N VAL A 95 2.084 -10.994 3.765 1.00 64.20 N ATOM 1567 CA VAL A 95 1.894 -10.495 5.126 1.00 64.32 C ATOM 1568 C VAL A 95 3.082 -10.959 5.994 1.00 5.03 C ATOM 1569 O VAL A 95 3.400 -12.153 6.071 1.00 12.02 O ATOM 1570 CB VAL A 95 0.511 -10.934 5.734 1.00 42.34 C ATOM 1571 CG1 VAL A 95 0.300 -12.461 5.659 1.00 1.33 C ATOM 1572 CG2 VAL A 95 0.355 -10.394 7.179 1.00 71.14 C ATOM 0 H VAL A 95 1.458 -11.759 3.512 1.00 64.20 H new ATOM 0 HA VAL A 95 1.869 -9.405 5.105 1.00 64.32 H new ATOM 0 HB VAL A 95 -0.276 -10.490 5.125 1.00 42.34 H new ATOM 0 HG11 VAL A 95 -0.668 -12.716 6.091 1.00 1.33 H new ATOM 0 HG12 VAL A 95 0.329 -12.782 4.618 1.00 1.33 H new ATOM 0 HG13 VAL A 95 1.090 -12.965 6.216 1.00 1.33 H new ATOM 0 HG21 VAL A 95 -0.608 -10.708 7.583 1.00 71.14 H new ATOM 0 HG22 VAL A 95 1.157 -10.789 7.803 1.00 71.14 H new ATOM 0 HG23 VAL A 95 0.406 -9.305 7.168 1.00 71.14 H new ATOM 1582 N ARG A 96 3.768 -9.978 6.584 1.00 24.31 N ATOM 1583 CA ARG A 96 5.035 -10.194 7.289 1.00 31.23 C ATOM 1584 C ARG A 96 4.762 -10.811 8.675 1.00 54.14 C ATOM 1585 O ARG A 96 5.450 -11.745 9.102 1.00 73.31 O ATOM 1586 CB ARG A 96 5.800 -8.846 7.410 1.00 41.33 C ATOM 1587 CG ARG A 96 7.299 -8.982 7.704 1.00 51.11 C ATOM 1588 CD ARG A 96 8.067 -9.625 6.532 1.00 24.32 C ATOM 1589 NE ARG A 96 9.488 -9.803 6.845 1.00 24.22 N ATOM 1590 CZ ARG A 96 10.497 -9.743 5.960 1.00 73.21 C ATOM 1591 NH1 ARG A 96 10.276 -9.513 4.661 1.00 44.40 N ATOM 1592 NH2 ARG A 96 11.737 -9.918 6.390 1.00 63.24 N ATOM 0 H ARG A 96 3.459 -9.006 6.587 1.00 24.31 H new ATOM 0 HA ARG A 96 5.658 -10.890 6.727 1.00 31.23 H new ATOM 0 HB2 ARG A 96 5.675 -8.289 6.482 1.00 41.33 H new ATOM 0 HB3 ARG A 96 5.341 -8.254 8.201 1.00 41.33 H new ATOM 0 HG2 ARG A 96 7.717 -7.997 7.913 1.00 51.11 H new ATOM 0 HG3 ARG A 96 7.438 -9.585 8.601 1.00 51.11 H new ATOM 0 HD2 ARG A 96 7.623 -10.592 6.294 1.00 24.32 H new ATOM 0 HD3 ARG A 96 7.966 -9.000 5.645 1.00 24.32 H new ATOM 0 HE ARG A 96 9.732 -9.988 7.818 1.00 24.22 H new ATOM 0 HH11 ARG A 96 9.324 -9.378 4.322 1.00 44.40 H new ATOM 0 HH12 ARG A 96 11.060 -9.472 4.010 1.00 44.40 H new ATOM 0 HH21 ARG A 96 11.914 -10.095 7.379 1.00 63.24 H new ATOM 0 HH22 ARG A 96 12.516 -9.876 5.732 1.00 63.24 H new ATOM 1606 N THR A 97 3.735 -10.281 9.360 1.00 65.35 N ATOM 1607 CA THR A 97 3.289 -10.798 10.658 1.00 72.33 C ATOM 1608 C THR A 97 2.540 -12.136 10.458 1.00 34.42 C ATOM 1609 O THR A 97 1.462 -12.155 9.859 1.00 11.44 O ATOM 1610 CB THR A 97 2.359 -9.770 11.386 1.00 72.55 C ATOM 1611 OG1 THR A 97 3.003 -8.492 11.441 1.00 34.12 O ATOM 1612 CG2 THR A 97 1.991 -10.213 12.815 1.00 4.30 C ATOM 0 H THR A 97 3.193 -9.483 9.027 1.00 65.35 H new ATOM 0 HA THR A 97 4.168 -10.961 11.282 1.00 72.33 H new ATOM 0 HB THR A 97 1.435 -9.711 10.811 1.00 72.55 H new ATOM 0 HG1 THR A 97 2.834 -8.078 12.313 1.00 34.12 H new ATOM 0 HG21 THR A 97 1.345 -9.464 13.273 1.00 4.30 H new ATOM 0 HG22 THR A 97 1.468 -11.168 12.776 1.00 4.30 H new ATOM 0 HG23 THR A 97 2.899 -10.321 13.408 1.00 4.30 H new