USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 66 SER OG : rot -48:sc= 0.775 USER MOD Set 1.2: A 69 THR OG1 : rot -150:sc= 0.9 USER MOD Single : A 32 ASN : amide:sc=-0.00158 K(o=-0.0016,f=-0.91) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.564 K(o=0.56,f=-0.011) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.473 X(o=0.47,f=-0.015) USER MOD Single : A 61 GLN : amide:sc= -1.9 K(o=-1.9,f=-0.76) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -153:sc= 0.149 (180deg=0.0152) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -159:sc= 0 (180deg=-0.471) USER MOD Single : A 84 SER OG : rot -170:sc= 0 USER MOD Single : A 85 THR OG1 : rot 59:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0133 (180deg=-0.191) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 170:sc= -0.265 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 31 -21.998 12.377 -11.471 1.00 0.00 N ATOM 2 CA PHE A 31 -20.751 11.634 -11.756 1.00 0.00 C ATOM 3 C PHE A 31 -20.928 10.115 -11.716 1.00 0.00 C ATOM 4 O PHE A 31 -20.974 9.550 -12.800 1.00 0.00 O ATOM 5 CB PHE A 31 -19.552 12.136 -10.936 1.00 0.00 C ATOM 6 CG PHE A 31 -19.100 13.521 -11.366 1.00 0.00 C ATOM 7 CD1 PHE A 31 -18.350 13.680 -12.550 1.00 0.00 C ATOM 8 CD2 PHE A 31 -19.471 14.659 -10.623 1.00 0.00 C ATOM 9 CE1 PHE A 31 -17.983 14.964 -12.992 1.00 0.00 C ATOM 10 CE2 PHE A 31 -19.099 15.941 -11.065 1.00 0.00 C ATOM 11 CZ PHE A 31 -18.359 16.096 -12.250 1.00 0.00 C ATOM 0 HA PHE A 31 -20.505 11.860 -12.793 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -19.819 12.155 -9.879 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -18.723 11.436 -11.042 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -18.056 12.811 -13.120 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -20.042 14.547 -9.713 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.412 15.079 -13.902 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -19.383 16.811 -10.491 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.080 17.083 -12.589 1.00 0.00 H new ATOM 21 N ASN A 32 -21.036 9.438 -10.554 1.00 0.00 N ATOM 22 CA ASN A 32 -21.065 7.960 -10.451 1.00 0.00 C ATOM 23 C ASN A 32 -19.897 7.250 -11.194 1.00 0.00 C ATOM 24 O ASN A 32 -20.086 6.693 -12.272 1.00 0.00 O ATOM 25 CB ASN A 32 -22.452 7.404 -10.869 1.00 0.00 C ATOM 26 CG ASN A 32 -23.513 7.476 -9.789 1.00 0.00 C ATOM 27 OD1 ASN A 32 -23.286 7.922 -8.677 1.00 0.00 O ATOM 28 ND2 ASN A 32 -24.702 7.001 -10.075 1.00 0.00 N ATOM 0 H ASN A 32 -21.106 9.905 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 32 -20.906 7.725 -9.399 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -22.802 7.956 -11.741 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -22.335 6.365 -11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -25.436 7.005 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -24.892 6.628 -11.005 1.00 0.00 H new ATOM 35 N VAL A 33 -18.693 7.267 -10.611 1.00 0.00 N ATOM 36 CA VAL A 33 -17.477 6.630 -11.177 1.00 0.00 C ATOM 37 C VAL A 33 -16.624 5.922 -10.111 1.00 0.00 C ATOM 38 O VAL A 33 -16.784 6.186 -8.919 1.00 0.00 O ATOM 39 CB VAL A 33 -16.611 7.665 -11.931 1.00 0.00 C ATOM 40 CG1 VAL A 33 -17.372 8.328 -13.086 1.00 0.00 C ATOM 41 CG2 VAL A 33 -16.052 8.775 -11.025 1.00 0.00 C ATOM 0 H VAL A 33 -18.523 7.729 -9.718 1.00 0.00 H new ATOM 0 HA VAL A 33 -17.829 5.871 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.777 7.082 -12.321 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -16.722 9.047 -13.585 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.686 7.566 -13.800 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.250 8.843 -12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.455 9.465 -11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -16.877 9.316 -10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.428 8.332 -10.249 1.00 0.00 H new ATOM 51 N SER A 34 -15.654 5.109 -10.545 1.00 0.00 N ATOM 52 CA SER A 34 -14.671 4.398 -9.704 1.00 0.00 C ATOM 53 C SER A 34 -13.249 4.684 -10.194 1.00 0.00 C ATOM 54 O SER A 34 -12.992 4.540 -11.389 1.00 0.00 O ATOM 55 CB SER A 34 -14.851 2.877 -9.820 1.00 0.00 C ATOM 56 OG SER A 34 -16.098 2.420 -9.354 1.00 0.00 O ATOM 0 H SER A 34 -15.523 4.917 -11.538 1.00 0.00 H new ATOM 0 HA SER A 34 -14.826 4.739 -8.680 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.733 2.584 -10.863 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.059 2.382 -9.258 1.00 0.00 H new ATOM 0 HG SER A 34 -16.149 1.447 -9.457 1.00 0.00 H new ATOM 62 N ASN A 35 -12.306 5.017 -9.300 1.00 0.00 N ATOM 63 CA ASN A 35 -10.859 5.172 -9.568 1.00 0.00 C ATOM 64 C ASN A 35 -10.071 4.615 -8.349 1.00 0.00 C ATOM 65 O ASN A 35 -10.472 4.849 -7.210 1.00 0.00 O ATOM 66 CB ASN A 35 -10.521 6.667 -9.782 1.00 0.00 C ATOM 67 CG ASN A 35 -10.664 7.256 -11.188 1.00 0.00 C ATOM 68 OD1 ASN A 35 -9.944 8.173 -11.551 1.00 0.00 O ATOM 69 ND2 ASN A 35 -11.581 6.832 -12.028 1.00 0.00 N ATOM 0 H ASN A 35 -12.537 5.195 -8.323 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.584 4.624 -10.469 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.155 7.249 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.491 6.823 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.672 7.267 -12.946 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.202 6.068 -11.762 1.00 0.00 H new ATOM 76 N ALA A 36 -8.992 3.853 -8.578 1.00 0.00 N ATOM 77 CA ALA A 36 -8.277 3.099 -7.529 1.00 0.00 C ATOM 78 C ALA A 36 -7.433 3.954 -6.566 1.00 0.00 C ATOM 79 O ALA A 36 -7.440 3.740 -5.353 1.00 0.00 O ATOM 80 CB ALA A 36 -7.362 2.065 -8.208 1.00 0.00 C ATOM 0 H ALA A 36 -8.584 3.739 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.048 2.638 -6.913 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.826 1.498 -7.447 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.965 1.385 -8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.646 2.579 -8.850 1.00 0.00 H new ATOM 86 N GLU A 37 -6.669 4.886 -7.130 1.00 0.00 N ATOM 87 CA GLU A 37 -5.609 5.659 -6.479 1.00 0.00 C ATOM 88 C GLU A 37 -6.066 6.526 -5.286 1.00 0.00 C ATOM 89 O GLU A 37 -5.248 6.872 -4.436 1.00 0.00 O ATOM 90 CB GLU A 37 -4.902 6.519 -7.548 1.00 0.00 C ATOM 91 CG GLU A 37 -4.086 5.716 -8.588 1.00 0.00 C ATOM 92 CD GLU A 37 -4.849 5.274 -9.854 1.00 0.00 C ATOM 93 OE1 GLU A 37 -6.057 4.951 -9.781 1.00 0.00 O ATOM 94 OE2 GLU A 37 -4.218 5.216 -10.937 1.00 0.00 O ATOM 0 H GLU A 37 -6.778 5.139 -8.112 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.923 4.938 -6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.652 7.110 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.236 7.221 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.232 6.320 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.688 4.827 -8.099 1.00 0.00 H new ATOM 101 N LEU A 38 -7.364 6.840 -5.198 1.00 0.00 N ATOM 102 CA LEU A 38 -7.960 7.691 -4.152 1.00 0.00 C ATOM 103 C LEU A 38 -7.667 7.147 -2.739 1.00 0.00 C ATOM 104 O LEU A 38 -6.984 7.803 -1.947 1.00 0.00 O ATOM 105 CB LEU A 38 -9.478 7.835 -4.439 1.00 0.00 C ATOM 106 CG LEU A 38 -10.207 9.014 -3.749 1.00 0.00 C ATOM 107 CD1 LEU A 38 -11.696 8.968 -4.102 1.00 0.00 C ATOM 108 CD2 LEU A 38 -10.117 9.030 -2.223 1.00 0.00 C ATOM 0 H LEU A 38 -8.052 6.501 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.506 8.681 -4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.613 7.935 -5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.970 6.909 -4.141 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.701 9.906 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.211 9.797 -3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.816 9.048 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.122 8.026 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.658 9.893 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.557 8.116 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.072 9.092 -1.921 1.00 0.00 H new ATOM 120 N ILE A 39 -8.171 5.948 -2.423 1.00 0.00 N ATOM 121 CA ILE A 39 -8.094 5.405 -1.062 1.00 0.00 C ATOM 122 C ILE A 39 -6.654 5.103 -0.638 1.00 0.00 C ATOM 123 O ILE A 39 -6.222 5.580 0.410 1.00 0.00 O ATOM 124 CB ILE A 39 -9.056 4.235 -0.833 1.00 0.00 C ATOM 125 CG1 ILE A 39 -8.859 3.019 -1.760 1.00 0.00 C ATOM 126 CG2 ILE A 39 -10.526 4.682 -0.884 1.00 0.00 C ATOM 127 CD1 ILE A 39 -8.917 1.789 -0.867 1.00 0.00 C ATOM 0 H ILE A 39 -8.637 5.335 -3.092 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.441 6.193 -0.394 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.799 3.895 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.636 2.982 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.903 3.077 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.174 3.822 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.707 5.428 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.741 5.114 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.783 0.893 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.125 1.844 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.885 1.747 -0.367 1.00 0.00 H new ATOM 139 N VAL A 40 -5.896 4.373 -1.465 1.00 0.00 N ATOM 140 CA VAL A 40 -4.524 3.927 -1.166 1.00 0.00 C ATOM 141 C VAL A 40 -3.561 5.089 -0.938 1.00 0.00 C ATOM 142 O VAL A 40 -2.695 4.977 -0.072 1.00 0.00 O ATOM 143 CB VAL A 40 -3.961 2.963 -2.238 1.00 0.00 C ATOM 144 CG1 VAL A 40 -4.744 1.644 -2.249 1.00 0.00 C ATOM 145 CG2 VAL A 40 -3.965 3.547 -3.659 1.00 0.00 C ATOM 0 H VAL A 40 -6.224 4.068 -2.381 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.604 3.374 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.922 2.793 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.331 0.982 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.667 1.167 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.792 1.845 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.556 2.814 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.987 3.792 -3.949 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.355 4.450 -3.683 1.00 0.00 H new ATOM 155 N MET A 41 -3.731 6.219 -1.634 1.00 0.00 N ATOM 156 CA MET A 41 -2.948 7.417 -1.341 1.00 0.00 C ATOM 157 C MET A 41 -3.303 7.989 0.040 1.00 0.00 C ATOM 158 O MET A 41 -2.409 8.214 0.857 1.00 0.00 O ATOM 159 CB MET A 41 -3.154 8.452 -2.461 1.00 0.00 C ATOM 160 CG MET A 41 -2.235 9.671 -2.314 1.00 0.00 C ATOM 161 SD MET A 41 -0.463 9.290 -2.396 1.00 0.00 S ATOM 162 CE MET A 41 0.212 10.958 -2.194 1.00 0.00 C ATOM 0 H MET A 41 -4.399 6.325 -2.397 1.00 0.00 H new ATOM 0 HA MET A 41 -1.891 7.153 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.972 7.979 -3.426 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.193 8.782 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.476 10.389 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.446 10.157 -1.361 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.301 10.915 -2.220 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.145 11.596 -3.003 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.113 11.369 -1.238 1.00 0.00 H new ATOM 172 N ARG A 42 -4.597 8.209 0.327 1.00 0.00 N ATOM 173 CA ARG A 42 -5.015 8.893 1.568 1.00 0.00 C ATOM 174 C ARG A 42 -4.613 8.160 2.852 1.00 0.00 C ATOM 175 O ARG A 42 -4.219 8.841 3.795 1.00 0.00 O ATOM 176 CB ARG A 42 -6.509 9.282 1.535 1.00 0.00 C ATOM 177 CG ARG A 42 -6.936 9.996 2.837 1.00 0.00 C ATOM 178 CD ARG A 42 -8.266 10.756 2.738 1.00 0.00 C ATOM 179 NE ARG A 42 -8.093 12.117 2.192 1.00 0.00 N ATOM 180 CZ ARG A 42 -9.014 12.834 1.574 1.00 0.00 C ATOM 181 NH1 ARG A 42 -10.238 12.425 1.417 1.00 0.00 N ATOM 182 NH2 ARG A 42 -8.747 14.022 1.124 1.00 0.00 N ATOM 0 H ARG A 42 -5.369 7.926 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.446 9.822 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.698 9.934 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.116 8.388 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.013 9.256 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.152 10.696 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.955 10.197 2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.721 10.818 3.727 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.174 12.545 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.522 11.514 1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.915 13.015 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.814 14.415 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.470 14.562 0.649 1.00 0.00 H new ATOM 196 N VAL A 43 -4.671 6.819 2.914 1.00 0.00 N ATOM 197 CA VAL A 43 -4.149 6.071 4.080 1.00 0.00 C ATOM 198 C VAL A 43 -2.655 6.323 4.285 1.00 0.00 C ATOM 199 O VAL A 43 -2.234 6.763 5.354 1.00 0.00 O ATOM 200 CB VAL A 43 -4.455 4.538 4.066 1.00 0.00 C ATOM 201 CG1 VAL A 43 -4.735 3.936 2.687 1.00 0.00 C ATOM 202 CG2 VAL A 43 -3.363 3.643 4.683 1.00 0.00 C ATOM 0 H VAL A 43 -5.069 6.232 2.181 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.700 6.470 4.932 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.356 4.530 4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.935 2.869 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.602 4.427 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.868 4.082 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.672 2.599 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.430 3.777 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.213 3.919 5.727 1.00 0.00 H new ATOM 212 N ILE A 44 -1.839 6.061 3.265 1.00 0.00 N ATOM 213 CA ILE A 44 -0.391 5.960 3.477 1.00 0.00 C ATOM 214 C ILE A 44 0.260 7.319 3.701 1.00 0.00 C ATOM 215 O ILE A 44 1.167 7.452 4.526 1.00 0.00 O ATOM 216 CB ILE A 44 0.237 5.205 2.294 1.00 0.00 C ATOM 217 CG1 ILE A 44 -0.420 3.810 2.212 1.00 0.00 C ATOM 218 CG2 ILE A 44 1.753 5.128 2.536 1.00 0.00 C ATOM 219 CD1 ILE A 44 -0.056 3.010 0.965 1.00 0.00 C ATOM 0 H ILE A 44 -2.144 5.917 2.302 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.210 5.398 4.394 1.00 0.00 H new ATOM 0 HB ILE A 44 0.071 5.709 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.134 3.235 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.503 3.930 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.227 4.596 1.711 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.163 6.136 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.946 4.597 3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.562 2.045 0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.368 3.559 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.022 2.854 0.935 1.00 0.00 H new ATOM 231 N TRP A 45 -0.243 8.331 3.000 1.00 0.00 N ATOM 232 CA TRP A 45 0.243 9.713 3.098 1.00 0.00 C ATOM 233 C TRP A 45 0.301 10.206 4.556 1.00 0.00 C ATOM 234 O TRP A 45 1.247 10.892 4.950 1.00 0.00 O ATOM 235 CB TRP A 45 -0.655 10.598 2.210 1.00 0.00 C ATOM 236 CG TRP A 45 -0.763 12.055 2.545 1.00 0.00 C ATOM 237 CD1 TRP A 45 0.227 12.858 3.001 1.00 0.00 C ATOM 238 CD2 TRP A 45 -1.959 12.893 2.502 1.00 0.00 C ATOM 239 NE1 TRP A 45 -0.305 14.070 3.387 1.00 0.00 N ATOM 240 CE2 TRP A 45 -1.640 14.157 3.079 1.00 0.00 C ATOM 241 CE3 TRP A 45 -3.284 12.713 2.048 1.00 0.00 C ATOM 242 CZ2 TRP A 45 -2.588 15.172 3.246 1.00 0.00 C ATOM 243 CZ3 TRP A 45 -4.241 13.739 2.185 1.00 0.00 C ATOM 244 CH2 TRP A 45 -3.900 14.960 2.796 1.00 0.00 C ATOM 0 H TRP A 45 -1.010 8.218 2.338 1.00 0.00 H new ATOM 0 HA TRP A 45 1.271 9.769 2.741 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.293 10.518 1.185 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.660 10.177 2.227 1.00 0.00 H new ATOM 0 HD1 TRP A 45 1.272 12.591 3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 45 0.227 14.810 3.845 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.568 11.777 1.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -2.314 16.106 3.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.245 13.587 1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.646 15.731 2.918 1.00 0.00 H new ATOM 255 N SER A 46 -0.692 9.837 5.365 1.00 0.00 N ATOM 256 CA SER A 46 -0.834 10.353 6.743 1.00 0.00 C ATOM 257 C SER A 46 0.104 9.657 7.741 1.00 0.00 C ATOM 258 O SER A 46 0.564 10.246 8.721 1.00 0.00 O ATOM 259 CB SER A 46 -2.288 10.213 7.199 1.00 0.00 C ATOM 260 OG SER A 46 -2.447 10.807 8.474 1.00 0.00 O ATOM 0 H SER A 46 -1.421 9.177 5.094 1.00 0.00 H new ATOM 0 HA SER A 46 -0.547 11.404 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.953 10.691 6.479 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.567 9.160 7.240 1.00 0.00 H new ATOM 0 HG SER A 46 -3.379 10.717 8.763 1.00 0.00 H new ATOM 266 N LEU A 47 0.342 8.377 7.472 1.00 0.00 N ATOM 267 CA LEU A 47 1.143 7.408 8.202 1.00 0.00 C ATOM 268 C LEU A 47 2.654 7.627 8.081 1.00 0.00 C ATOM 269 O LEU A 47 3.412 7.570 9.047 1.00 0.00 O ATOM 270 CB LEU A 47 0.696 6.055 7.594 1.00 0.00 C ATOM 271 CG LEU A 47 0.041 5.200 8.669 1.00 0.00 C ATOM 272 CD1 LEU A 47 -0.836 4.117 8.053 1.00 0.00 C ATOM 273 CD2 LEU A 47 1.192 4.636 9.478 1.00 0.00 C ATOM 0 H LEU A 47 -0.070 7.949 6.643 1.00 0.00 H new ATOM 0 HA LEU A 47 0.981 7.478 9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.004 6.227 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.556 5.533 7.174 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.635 5.773 9.304 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.290 3.522 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.619 4.581 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.227 3.472 7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.801 4.006 10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.836 4.042 8.829 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.768 5.454 9.911 1.00 0.00 H new ATOM 285 N GLY A 48 3.094 7.867 6.850 1.00 0.00 N ATOM 286 CA GLY A 48 4.471 8.217 6.491 1.00 0.00 C ATOM 287 C GLY A 48 5.360 7.007 6.192 1.00 0.00 C ATOM 288 O GLY A 48 6.198 7.060 5.297 1.00 0.00 O ATOM 0 H GLY A 48 2.478 7.822 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.454 8.868 5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.915 8.789 7.306 1.00 0.00 H new ATOM 292 N GLU A 49 5.136 5.892 6.878 1.00 0.00 N ATOM 293 CA GLU A 49 5.704 4.587 6.593 1.00 0.00 C ATOM 294 C GLU A 49 4.687 3.534 7.024 1.00 0.00 C ATOM 295 O GLU A 49 4.228 3.551 8.168 1.00 0.00 O ATOM 296 CB GLU A 49 7.002 4.434 7.392 1.00 0.00 C ATOM 297 CG GLU A 49 7.683 3.115 7.104 1.00 0.00 C ATOM 298 CD GLU A 49 8.797 2.795 8.106 1.00 0.00 C ATOM 299 OE1 GLU A 49 9.635 3.683 8.321 1.00 0.00 O ATOM 300 OE2 GLU A 49 8.802 1.646 8.650 1.00 0.00 O ATOM 0 H GLU A 49 4.520 5.877 7.691 1.00 0.00 H new ATOM 0 HA GLU A 49 5.927 4.471 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.678 5.254 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.784 4.506 8.458 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.942 2.316 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.101 3.138 6.097 1.00 0.00 H new ATOM 307 N ALA A 50 4.362 2.602 6.131 1.00 0.00 N ATOM 308 CA ALA A 50 3.462 1.493 6.427 1.00 0.00 C ATOM 309 C ALA A 50 3.951 0.198 5.766 1.00 0.00 C ATOM 310 O ALA A 50 4.167 0.119 4.553 1.00 0.00 O ATOM 311 CB ALA A 50 2.062 1.892 5.968 1.00 0.00 C ATOM 0 H ALA A 50 4.719 2.596 5.175 1.00 0.00 H new ATOM 0 HA ALA A 50 3.441 1.290 7.498 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.365 1.080 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.746 2.788 6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.074 2.093 4.897 1.00 0.00 H new ATOM 317 N ARG A 51 4.177 -0.834 6.587 1.00 0.00 N ATOM 318 CA ARG A 51 4.578 -2.176 6.142 1.00 0.00 C ATOM 319 C ARG A 51 3.445 -2.824 5.324 1.00 0.00 C ATOM 320 O ARG A 51 2.314 -2.366 5.369 1.00 0.00 O ATOM 321 CB ARG A 51 5.004 -3.050 7.336 1.00 0.00 C ATOM 322 CG ARG A 51 6.307 -2.588 8.017 1.00 0.00 C ATOM 323 CD ARG A 51 6.112 -1.457 9.042 1.00 0.00 C ATOM 324 NE ARG A 51 7.363 -0.779 9.431 1.00 0.00 N ATOM 325 CZ ARG A 51 8.209 -1.072 10.401 1.00 0.00 C ATOM 326 NH1 ARG A 51 8.080 -2.120 11.170 1.00 0.00 N ATOM 327 NH2 ARG A 51 9.169 -0.228 10.641 1.00 0.00 N ATOM 0 H ARG A 51 4.085 -0.759 7.600 1.00 0.00 H new ATOM 0 HA ARG A 51 5.448 -2.087 5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.202 -3.055 8.074 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.129 -4.078 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.766 -3.441 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.006 -2.253 7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.424 -0.720 8.628 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.640 -1.867 9.935 1.00 0.00 H new ATOM 0 HE ARG A 51 7.610 0.035 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.296 -2.758 11.035 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.763 -2.300 11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.248 0.625 10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.843 -0.419 11.383 1.00 0.00 H new ATOM 341 N VAL A 52 3.714 -3.874 4.558 1.00 0.00 N ATOM 342 CA VAL A 52 2.757 -4.413 3.574 1.00 0.00 C ATOM 343 C VAL A 52 1.429 -4.853 4.144 1.00 0.00 C ATOM 344 O VAL A 52 0.377 -4.645 3.552 1.00 0.00 O ATOM 345 CB VAL A 52 3.368 -5.503 2.681 1.00 0.00 C ATOM 346 CG1 VAL A 52 4.703 -6.016 3.221 1.00 0.00 C ATOM 347 CG2 VAL A 52 2.433 -6.679 2.417 1.00 0.00 C ATOM 0 H VAL A 52 4.598 -4.382 4.594 1.00 0.00 H new ATOM 0 HA VAL A 52 2.530 -3.552 2.946 1.00 0.00 H new ATOM 0 HB VAL A 52 3.540 -5.006 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.094 -6.785 2.554 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.413 -5.191 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.555 -6.438 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.935 -7.407 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.164 -7.149 3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.531 -6.322 1.920 1.00 0.00 H new ATOM 357 N ASP A 53 1.477 -5.548 5.268 1.00 0.00 N ATOM 358 CA ASP A 53 0.319 -5.983 5.990 1.00 0.00 C ATOM 359 C ASP A 53 -0.381 -4.830 6.749 1.00 0.00 C ATOM 360 O ASP A 53 -1.579 -4.910 6.979 1.00 0.00 O ATOM 361 CB ASP A 53 0.704 -7.247 6.761 1.00 0.00 C ATOM 362 CG ASP A 53 1.780 -7.035 7.825 1.00 0.00 C ATOM 363 OD1 ASP A 53 2.919 -6.659 7.436 1.00 0.00 O ATOM 364 OD2 ASP A 53 1.519 -7.311 9.011 1.00 0.00 O ATOM 0 H ASP A 53 2.354 -5.828 5.707 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.497 -6.282 5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.188 -7.652 7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.054 -7.998 6.052 1.00 0.00 H new ATOM 369 N GLU A 54 0.330 -3.729 7.020 1.00 0.00 N ATOM 370 CA GLU A 54 -0.162 -2.450 7.579 1.00 0.00 C ATOM 371 C GLU A 54 -0.969 -1.635 6.549 1.00 0.00 C ATOM 372 O GLU A 54 -2.129 -1.314 6.782 1.00 0.00 O ATOM 373 CB GLU A 54 1.067 -1.670 8.110 1.00 0.00 C ATOM 374 CG GLU A 54 0.866 -0.996 9.473 1.00 0.00 C ATOM 375 CD GLU A 54 0.329 0.438 9.385 1.00 0.00 C ATOM 376 OE1 GLU A 54 -0.788 0.627 8.864 1.00 0.00 O ATOM 377 OE2 GLU A 54 1.034 1.348 9.878 1.00 0.00 O ATOM 0 H GLU A 54 1.334 -3.699 6.845 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.860 -2.645 8.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.911 -2.356 8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.337 -0.907 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.176 -1.596 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.817 -0.985 10.006 1.00 0.00 H new ATOM 384 N ILE A 55 -0.412 -1.412 5.349 1.00 0.00 N ATOM 385 CA ILE A 55 -1.140 -0.760 4.224 1.00 0.00 C ATOM 386 C ILE A 55 -2.401 -1.531 3.871 1.00 0.00 C ATOM 387 O ILE A 55 -3.458 -0.923 3.699 1.00 0.00 O ATOM 388 CB ILE A 55 -0.291 -0.580 2.933 1.00 0.00 C ATOM 389 CG1 ILE A 55 0.397 -1.911 2.552 1.00 0.00 C ATOM 390 CG2 ILE A 55 0.827 0.414 3.232 1.00 0.00 C ATOM 391 CD1 ILE A 55 1.614 -1.789 1.658 1.00 0.00 C ATOM 0 H ILE A 55 0.548 -1.672 5.121 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.386 0.236 4.593 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.944 -0.244 2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.692 -2.422 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.335 -2.547 2.054 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.436 0.556 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.395 1.369 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.450 0.029 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.017 -2.781 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.330 -1.313 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.372 -1.185 2.156 1.00 0.00 H new ATOM 403 N TYR A 56 -2.330 -2.868 3.838 1.00 0.00 N ATOM 404 CA TYR A 56 -3.500 -3.715 3.728 1.00 0.00 C ATOM 405 C TYR A 56 -4.465 -3.621 4.916 1.00 0.00 C ATOM 406 O TYR A 56 -5.674 -3.637 4.700 1.00 0.00 O ATOM 407 CB TYR A 56 -2.964 -5.129 3.621 1.00 0.00 C ATOM 408 CG TYR A 56 -3.996 -6.229 3.754 1.00 0.00 C ATOM 409 CD1 TYR A 56 -5.172 -6.213 2.982 1.00 0.00 C ATOM 410 CD2 TYR A 56 -3.753 -7.270 4.662 1.00 0.00 C ATOM 411 CE1 TYR A 56 -6.133 -7.227 3.142 1.00 0.00 C ATOM 412 CE2 TYR A 56 -4.747 -8.249 4.885 1.00 0.00 C ATOM 413 CZ TYR A 56 -5.929 -8.236 4.108 1.00 0.00 C ATOM 414 OH TYR A 56 -6.839 -9.236 4.236 1.00 0.00 O ATOM 0 H TYR A 56 -1.451 -3.384 3.888 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.088 -3.398 2.866 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -2.465 -5.238 2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.206 -5.271 4.391 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.337 -5.421 2.266 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.811 -7.323 5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.022 -7.234 2.529 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.605 -9.003 5.645 1.00 0.00 H new ATOM 0 HH TYR A 56 -6.552 -9.850 4.944 1.00 0.00 H new ATOM 424 N ALA A 57 -3.957 -3.503 6.145 1.00 0.00 N ATOM 425 CA ALA A 57 -4.792 -3.458 7.360 1.00 0.00 C ATOM 426 C ALA A 57 -5.800 -2.308 7.367 1.00 0.00 C ATOM 427 O ALA A 57 -6.794 -2.360 8.084 1.00 0.00 O ATOM 428 CB ALA A 57 -3.914 -3.349 8.603 1.00 0.00 C ATOM 0 H ALA A 57 -2.957 -3.436 6.332 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.359 -4.389 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.544 -3.317 9.492 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.253 -4.214 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.317 -2.439 8.548 1.00 0.00 H new ATOM 434 N GLN A 58 -5.539 -1.280 6.568 1.00 0.00 N ATOM 435 CA GLN A 58 -6.403 -0.120 6.429 1.00 0.00 C ATOM 436 C GLN A 58 -7.567 -0.330 5.438 1.00 0.00 C ATOM 437 O GLN A 58 -8.449 0.526 5.347 1.00 0.00 O ATOM 438 CB GLN A 58 -5.507 1.047 5.984 1.00 0.00 C ATOM 439 CG GLN A 58 -5.334 2.102 7.080 1.00 0.00 C ATOM 440 CD GLN A 58 -4.320 1.846 8.184 1.00 0.00 C ATOM 441 OE1 GLN A 58 -4.306 2.580 9.170 1.00 0.00 O ATOM 442 NE2 GLN A 58 -3.427 0.875 8.079 1.00 0.00 N ATOM 0 H GLN A 58 -4.702 -1.231 5.987 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.887 0.080 7.385 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.529 0.661 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.937 1.514 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.066 3.041 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.305 2.252 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.433 0.262 7.263 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.733 0.739 8.814 1.00 0.00 H new ATOM 451 N ILE A 59 -7.556 -1.415 4.657 1.00 0.00 N ATOM 452 CA ILE A 59 -8.458 -1.655 3.524 1.00 0.00 C ATOM 453 C ILE A 59 -9.625 -2.600 3.906 1.00 0.00 C ATOM 454 O ILE A 59 -9.404 -3.797 4.099 1.00 0.00 O ATOM 455 CB ILE A 59 -7.639 -2.213 2.349 1.00 0.00 C ATOM 456 CG1 ILE A 59 -6.517 -1.207 1.999 1.00 0.00 C ATOM 457 CG2 ILE A 59 -8.548 -2.474 1.141 1.00 0.00 C ATOM 458 CD1 ILE A 59 -5.638 -1.653 0.843 1.00 0.00 C ATOM 0 H ILE A 59 -6.895 -2.178 4.801 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.917 -0.712 3.228 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.188 -3.164 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.967 -0.245 1.752 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.893 -1.051 2.879 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.954 -2.869 0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.316 -3.197 1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.021 -1.541 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.874 -0.899 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.159 -2.599 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.249 -1.782 -0.050 1.00 0.00 H new ATOM 470 N PRO A 60 -10.876 -2.104 4.022 1.00 0.00 N ATOM 471 CA PRO A 60 -12.026 -2.921 4.423 1.00 0.00 C ATOM 472 C PRO A 60 -12.626 -3.759 3.278 1.00 0.00 C ATOM 473 O PRO A 60 -12.470 -3.468 2.092 1.00 0.00 O ATOM 474 CB PRO A 60 -13.050 -1.914 4.956 1.00 0.00 C ATOM 475 CG PRO A 60 -12.802 -0.689 4.081 1.00 0.00 C ATOM 476 CD PRO A 60 -11.285 -0.711 3.881 1.00 0.00 C ATOM 0 HA PRO A 60 -11.723 -3.662 5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -14.071 -2.283 4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.892 -1.696 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.335 -0.756 3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -13.132 0.229 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.016 -0.324 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.786 -0.082 4.618 1.00 0.00 H new ATOM 484 N GLN A 61 -13.401 -4.778 3.669 1.00 0.00 N ATOM 485 CA GLN A 61 -14.079 -5.752 2.791 1.00 0.00 C ATOM 486 C GLN A 61 -15.190 -5.197 1.865 1.00 0.00 C ATOM 487 O GLN A 61 -15.604 -5.881 0.933 1.00 0.00 O ATOM 488 CB GLN A 61 -14.548 -6.977 3.604 1.00 0.00 C ATOM 489 CG GLN A 61 -15.361 -6.605 4.855 1.00 0.00 C ATOM 490 CD GLN A 61 -14.588 -6.437 6.171 1.00 0.00 C ATOM 491 OE1 GLN A 61 -15.144 -6.244 7.242 1.00 0.00 O ATOM 492 NE2 GLN A 61 -13.273 -6.475 6.198 1.00 0.00 N ATOM 0 H GLN A 61 -13.584 -4.959 4.656 1.00 0.00 H new ATOM 0 HA GLN A 61 -13.314 -6.057 2.077 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.154 -7.618 2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.677 -7.559 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -15.887 -5.672 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -16.120 -7.373 5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.750 -6.633 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.777 -6.347 7.080 1.00 0.00 H new ATOM 501 N GLU A 62 -15.630 -3.945 2.050 1.00 0.00 N ATOM 502 CA GLU A 62 -16.729 -3.275 1.322 1.00 0.00 C ATOM 503 C GLU A 62 -16.608 -3.320 -0.220 1.00 0.00 C ATOM 504 O GLU A 62 -17.603 -3.363 -0.939 1.00 0.00 O ATOM 505 CB GLU A 62 -16.715 -1.804 1.786 1.00 0.00 C ATOM 506 CG GLU A 62 -17.750 -0.900 1.107 1.00 0.00 C ATOM 507 CD GLU A 62 -17.577 0.543 1.579 1.00 0.00 C ATOM 508 OE1 GLU A 62 -18.137 0.897 2.640 1.00 0.00 O ATOM 509 OE2 GLU A 62 -16.852 1.310 0.898 1.00 0.00 O ATOM 0 H GLU A 62 -15.209 -3.334 2.750 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.656 -3.801 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.882 -1.777 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.722 -1.392 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.636 -0.953 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.756 -1.248 1.339 1.00 0.00 H new ATOM 516 N LEU A 63 -15.371 -3.278 -0.704 1.00 0.00 N ATOM 517 CA LEU A 63 -14.974 -3.102 -2.110 1.00 0.00 C ATOM 518 C LEU A 63 -14.919 -4.417 -2.891 1.00 0.00 C ATOM 519 O LEU A 63 -14.801 -4.434 -4.114 1.00 0.00 O ATOM 520 CB LEU A 63 -13.556 -2.521 -2.123 1.00 0.00 C ATOM 521 CG LEU A 63 -13.293 -1.343 -1.182 1.00 0.00 C ATOM 522 CD1 LEU A 63 -11.818 -1.014 -1.306 1.00 0.00 C ATOM 523 CD2 LEU A 63 -14.163 -0.151 -1.553 1.00 0.00 C ATOM 0 H LEU A 63 -14.561 -3.371 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.717 -2.457 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.858 -3.320 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.327 -2.203 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.544 -1.596 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.576 -0.176 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.226 -1.883 -1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.590 -0.746 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.959 0.674 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.940 0.158 -2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.214 -0.431 -1.480 1.00 0.00 H new ATOM 535 N GLU A 64 -14.912 -5.512 -2.133 1.00 0.00 N ATOM 536 CA GLU A 64 -14.622 -6.888 -2.564 1.00 0.00 C ATOM 537 C GLU A 64 -13.154 -7.018 -3.030 1.00 0.00 C ATOM 538 O GLU A 64 -12.820 -7.755 -3.960 1.00 0.00 O ATOM 539 CB GLU A 64 -15.644 -7.432 -3.586 1.00 0.00 C ATOM 540 CG GLU A 64 -17.098 -7.428 -3.097 1.00 0.00 C ATOM 541 CD GLU A 64 -17.973 -8.334 -3.989 1.00 0.00 C ATOM 542 OE1 GLU A 64 -18.416 -7.877 -5.054 1.00 0.00 O ATOM 543 OE2 GLU A 64 -18.185 -9.528 -3.631 1.00 0.00 O ATOM 0 H GLU A 64 -15.122 -5.464 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.740 -7.535 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.579 -6.837 -4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -15.366 -8.452 -3.851 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.141 -7.774 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.489 -6.410 -3.109 1.00 0.00 H new ATOM 550 N TRP A 65 -12.260 -6.239 -2.412 1.00 0.00 N ATOM 551 CA TRP A 65 -10.810 -6.365 -2.574 1.00 0.00 C ATOM 552 C TRP A 65 -10.216 -7.311 -1.520 1.00 0.00 C ATOM 553 O TRP A 65 -10.850 -7.654 -0.523 1.00 0.00 O ATOM 554 CB TRP A 65 -10.140 -4.987 -2.490 1.00 0.00 C ATOM 555 CG TRP A 65 -10.411 -4.010 -3.598 1.00 0.00 C ATOM 556 CD1 TRP A 65 -11.382 -4.077 -4.540 1.00 0.00 C ATOM 557 CD2 TRP A 65 -9.662 -2.794 -3.901 1.00 0.00 C ATOM 558 NE1 TRP A 65 -11.260 -3.019 -5.419 1.00 0.00 N ATOM 559 CE2 TRP A 65 -10.242 -2.168 -5.044 1.00 0.00 C ATOM 560 CE3 TRP A 65 -8.538 -2.169 -3.324 1.00 0.00 C ATOM 561 CZ2 TRP A 65 -9.759 -0.958 -5.567 1.00 0.00 C ATOM 562 CZ3 TRP A 65 -8.036 -0.965 -3.848 1.00 0.00 C ATOM 563 CH2 TRP A 65 -8.658 -0.344 -4.946 1.00 0.00 C ATOM 0 H TRP A 65 -12.530 -5.490 -1.774 1.00 0.00 H new ATOM 0 HA TRP A 65 -10.617 -6.791 -3.559 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -10.444 -4.523 -1.552 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -9.062 -5.141 -2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -12.140 -4.845 -4.595 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -11.848 -2.884 -6.241 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -8.057 -2.621 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -10.225 -0.507 -6.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -7.163 -0.512 -3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -8.290 0.603 -5.311 1.00 0.00 H new ATOM 574 N SER A 66 -8.981 -7.726 -1.783 1.00 0.00 N ATOM 575 CA SER A 66 -8.232 -8.718 -1.018 1.00 0.00 C ATOM 576 C SER A 66 -6.789 -8.264 -0.773 1.00 0.00 C ATOM 577 O SER A 66 -6.318 -7.264 -1.328 1.00 0.00 O ATOM 578 CB SER A 66 -8.251 -10.032 -1.811 1.00 0.00 C ATOM 579 OG SER A 66 -7.571 -9.872 -3.047 1.00 0.00 O ATOM 0 H SER A 66 -8.449 -7.362 -2.574 1.00 0.00 H new ATOM 0 HA SER A 66 -8.694 -8.851 -0.040 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.779 -10.823 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.281 -10.340 -1.992 1.00 0.00 H new ATOM 0 HG SER A 66 -7.886 -9.057 -3.490 1.00 0.00 H new ATOM 585 N LEU A 67 -6.029 -9.050 -0.004 1.00 0.00 N ATOM 586 CA LEU A 67 -4.599 -8.891 0.136 1.00 0.00 C ATOM 587 C LEU A 67 -3.858 -9.061 -1.203 1.00 0.00 C ATOM 588 O LEU A 67 -2.905 -8.340 -1.508 1.00 0.00 O ATOM 589 CB LEU A 67 -4.123 -9.907 1.183 1.00 0.00 C ATOM 590 CG LEU A 67 -2.991 -9.422 2.102 1.00 0.00 C ATOM 591 CD1 LEU A 67 -2.007 -10.552 2.288 1.00 0.00 C ATOM 592 CD2 LEU A 67 -2.254 -8.144 1.697 1.00 0.00 C ATOM 0 H LEU A 67 -6.407 -9.824 0.543 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.372 -7.876 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.974 -10.192 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.789 -10.807 0.666 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.488 -9.135 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.196 -10.225 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.513 -11.405 2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.600 -10.843 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.483 -7.920 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.792 -8.284 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.961 -7.316 1.649 1.00 0.00 H new ATOM 604 N ALA A 68 -4.329 -9.993 -2.040 1.00 0.00 N ATOM 605 CA ALA A 68 -3.848 -10.144 -3.409 1.00 0.00 C ATOM 606 C ALA A 68 -4.066 -8.854 -4.213 1.00 0.00 C ATOM 607 O ALA A 68 -3.125 -8.390 -4.857 1.00 0.00 O ATOM 608 CB ALA A 68 -4.524 -11.353 -4.070 1.00 0.00 C ATOM 0 H ALA A 68 -5.055 -10.662 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.774 -10.328 -3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.160 -11.460 -5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.289 -12.255 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.604 -11.204 -4.083 1.00 0.00 H new ATOM 614 N THR A 69 -5.243 -8.214 -4.102 1.00 0.00 N ATOM 615 CA THR A 69 -5.528 -6.950 -4.788 1.00 0.00 C ATOM 616 C THR A 69 -4.537 -5.864 -4.401 1.00 0.00 C ATOM 617 O THR A 69 -3.932 -5.256 -5.278 1.00 0.00 O ATOM 618 CB THR A 69 -6.925 -6.396 -4.479 1.00 0.00 C ATOM 619 OG1 THR A 69 -7.920 -7.391 -4.557 1.00 0.00 O ATOM 620 CG2 THR A 69 -7.218 -5.245 -5.437 1.00 0.00 C ATOM 0 H THR A 69 -6.018 -8.560 -3.536 1.00 0.00 H new ATOM 0 HA THR A 69 -5.454 -7.195 -5.848 1.00 0.00 H new ATOM 0 HB THR A 69 -6.940 -6.033 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.769 -6.984 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.209 -4.841 -5.229 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.472 -4.462 -5.304 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.183 -5.609 -6.464 1.00 0.00 H new ATOM 628 N VAL A 70 -4.367 -5.582 -3.104 1.00 0.00 N ATOM 629 CA VAL A 70 -3.547 -4.446 -2.705 1.00 0.00 C ATOM 630 C VAL A 70 -2.092 -4.634 -3.099 1.00 0.00 C ATOM 631 O VAL A 70 -1.495 -3.710 -3.642 1.00 0.00 O ATOM 632 CB VAL A 70 -3.713 -4.127 -1.213 1.00 0.00 C ATOM 633 CG1 VAL A 70 -3.277 -5.232 -0.260 1.00 0.00 C ATOM 634 CG2 VAL A 70 -2.911 -2.875 -0.893 1.00 0.00 C ATOM 0 H VAL A 70 -4.777 -6.112 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.906 -3.575 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.784 -3.999 -1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.434 -4.908 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.864 -6.130 -0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.220 -5.449 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.019 -2.634 0.165 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.859 -3.049 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.280 -2.043 -1.493 1.00 0.00 H new ATOM 644 N LYS A 71 -1.523 -5.830 -2.914 1.00 0.00 N ATOM 645 CA LYS A 71 -0.134 -6.122 -3.289 1.00 0.00 C ATOM 646 C LYS A 71 0.133 -5.944 -4.774 1.00 0.00 C ATOM 647 O LYS A 71 1.153 -5.372 -5.146 1.00 0.00 O ATOM 648 CB LYS A 71 0.230 -7.545 -2.871 1.00 0.00 C ATOM 649 CG LYS A 71 0.335 -7.613 -1.354 1.00 0.00 C ATOM 650 CD LYS A 71 0.805 -9.011 -0.965 1.00 0.00 C ATOM 651 CE LYS A 71 0.759 -9.222 0.557 1.00 0.00 C ATOM 652 NZ LYS A 71 1.627 -10.350 0.983 1.00 0.00 N ATOM 0 H LYS A 71 -2.012 -6.624 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 71 0.490 -5.400 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.526 -8.245 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.176 -7.839 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.036 -6.862 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.631 -7.397 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.178 -9.756 -1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.823 -9.166 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.076 -8.309 1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.268 -9.416 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.570 -10.461 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.309 -11.226 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.611 -10.153 0.710 1.00 0.00 H new ATOM 666 N THR A 72 -0.799 -6.377 -5.617 1.00 0.00 N ATOM 667 CA THR A 72 -0.652 -6.128 -7.074 1.00 0.00 C ATOM 668 C THR A 72 -0.802 -4.644 -7.456 1.00 0.00 C ATOM 669 O THR A 72 -0.066 -4.122 -8.296 1.00 0.00 O ATOM 670 CB THR A 72 -1.525 -7.052 -7.937 1.00 0.00 C ATOM 671 OG1 THR A 72 -1.139 -6.927 -9.287 1.00 0.00 O ATOM 672 CG2 THR A 72 -3.022 -6.795 -7.843 1.00 0.00 C ATOM 0 H THR A 72 -1.640 -6.885 -5.345 1.00 0.00 H new ATOM 0 HA THR A 72 0.380 -6.391 -7.305 1.00 0.00 H new ATOM 0 HB THR A 72 -1.359 -8.056 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.692 -7.516 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.553 -7.496 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.350 -6.929 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.237 -5.775 -8.162 1.00 0.00 H new ATOM 680 N LEU A 73 -1.713 -3.910 -6.804 1.00 0.00 N ATOM 681 CA LEU A 73 -2.090 -2.541 -7.152 1.00 0.00 C ATOM 682 C LEU A 73 -0.999 -1.560 -6.688 1.00 0.00 C ATOM 683 O LEU A 73 -0.536 -0.707 -7.454 1.00 0.00 O ATOM 684 CB LEU A 73 -3.460 -2.344 -6.482 1.00 0.00 C ATOM 685 CG LEU A 73 -4.263 -1.084 -6.800 1.00 0.00 C ATOM 686 CD1 LEU A 73 -5.537 -1.157 -5.963 1.00 0.00 C ATOM 687 CD2 LEU A 73 -3.512 0.188 -6.432 1.00 0.00 C ATOM 0 H LEU A 73 -2.222 -4.267 -5.995 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.173 -2.354 -8.223 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.079 -3.203 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.307 -2.373 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.461 -1.044 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.149 -0.276 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.097 -2.053 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.276 -1.195 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.124 1.056 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.296 0.187 -5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.578 0.234 -6.991 1.00 0.00 H new ATOM 699 N LEU A 74 -0.487 -1.778 -5.470 1.00 0.00 N ATOM 700 CA LEU A 74 0.712 -1.117 -4.945 1.00 0.00 C ATOM 701 C LEU A 74 1.849 -1.248 -5.927 1.00 0.00 C ATOM 702 O LEU A 74 2.401 -0.257 -6.381 1.00 0.00 O ATOM 703 CB LEU A 74 1.178 -1.851 -3.691 1.00 0.00 C ATOM 704 CG LEU A 74 0.461 -1.382 -2.445 1.00 0.00 C ATOM 705 CD1 LEU A 74 0.925 -2.294 -1.334 1.00 0.00 C ATOM 706 CD2 LEU A 74 0.867 0.046 -2.106 1.00 0.00 C ATOM 0 H LEU A 74 -0.905 -2.433 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 74 0.464 -0.073 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.015 -2.921 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.251 -1.704 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.620 -1.407 -2.583 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.441 -2.006 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.664 -3.324 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.006 -2.211 -1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.343 0.370 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.942 0.087 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.607 0.705 -2.935 1.00 0.00 H new ATOM 718 N GLY A 75 2.067 -2.487 -6.338 1.00 0.00 N ATOM 719 CA GLY A 75 3.051 -2.882 -7.340 1.00 0.00 C ATOM 720 C GLY A 75 2.946 -2.086 -8.641 1.00 0.00 C ATOM 721 O GLY A 75 3.935 -2.011 -9.374 1.00 0.00 O ATOM 0 H GLY A 75 1.542 -3.280 -5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.051 -2.756 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.928 -3.942 -7.561 1.00 0.00 H new ATOM 725 N ARG A 76 1.768 -1.528 -8.959 1.00 0.00 N ATOM 726 CA ARG A 76 1.591 -0.565 -10.053 1.00 0.00 C ATOM 727 C ARG A 76 1.938 0.866 -9.647 1.00 0.00 C ATOM 728 O ARG A 76 2.658 1.514 -10.405 1.00 0.00 O ATOM 729 CB ARG A 76 0.180 -0.649 -10.653 1.00 0.00 C ATOM 730 CG ARG A 76 -0.129 -2.062 -11.197 1.00 0.00 C ATOM 731 CD ARG A 76 -0.667 -2.080 -12.636 1.00 0.00 C ATOM 732 NE ARG A 76 -2.124 -1.858 -12.720 1.00 0.00 N ATOM 733 CZ ARG A 76 -2.905 -2.169 -13.744 1.00 0.00 C ATOM 734 NH1 ARG A 76 -2.439 -2.475 -14.927 1.00 0.00 N ATOM 735 NH2 ARG A 76 -4.198 -2.172 -13.612 1.00 0.00 N ATOM 0 H ARG A 76 0.904 -1.736 -8.458 1.00 0.00 H new ATOM 0 HA ARG A 76 2.304 -0.848 -10.827 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.555 -0.384 -9.893 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.083 0.080 -11.458 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.780 -2.662 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.858 -2.539 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.156 -1.312 -13.217 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.426 -3.039 -13.094 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.572 -1.424 -11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.433 -2.481 -15.093 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.082 -2.707 -15.684 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.620 -1.934 -12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.791 -2.413 -14.406 1.00 0.00 H new ATOM 749 N LEU A 77 1.488 1.339 -8.475 1.00 0.00 N ATOM 750 CA LEU A 77 1.811 2.711 -8.023 1.00 0.00 C ATOM 751 C LEU A 77 3.314 2.948 -8.004 1.00 0.00 C ATOM 752 O LEU A 77 3.814 3.946 -8.518 1.00 0.00 O ATOM 753 CB LEU A 77 1.319 2.972 -6.591 1.00 0.00 C ATOM 754 CG LEU A 77 -0.067 2.449 -6.247 1.00 0.00 C ATOM 755 CD1 LEU A 77 -0.337 2.811 -4.802 1.00 0.00 C ATOM 756 CD2 LEU A 77 -1.094 2.995 -7.216 1.00 0.00 C ATOM 0 H LEU A 77 0.908 0.805 -7.828 1.00 0.00 H new ATOM 0 HA LEU A 77 1.314 3.376 -8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.034 2.528 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.331 4.048 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.130 1.366 -6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.325 2.452 -4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.416 2.348 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.296 3.894 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.080 2.611 -6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.103 4.084 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.840 2.684 -8.229 1.00 0.00 H new ATOM 768 N VAL A 78 4.000 1.974 -7.400 1.00 0.00 N ATOM 769 CA VAL A 78 5.465 1.960 -7.223 1.00 0.00 C ATOM 770 C VAL A 78 6.233 1.869 -8.558 1.00 0.00 C ATOM 771 O VAL A 78 7.363 2.337 -8.653 1.00 0.00 O ATOM 772 CB VAL A 78 5.993 0.995 -6.118 1.00 0.00 C ATOM 773 CG1 VAL A 78 4.976 0.529 -5.050 1.00 0.00 C ATOM 774 CG2 VAL A 78 6.690 -0.261 -6.657 1.00 0.00 C ATOM 0 H VAL A 78 3.545 1.149 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 78 5.695 2.944 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 78 6.709 1.657 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.471 -0.137 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.583 1.396 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.156 -0.001 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.026 -0.877 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.991 -0.830 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.549 0.031 -7.262 1.00 0.00 H new ATOM 784 N LYS A 79 5.633 1.269 -9.600 1.00 0.00 N ATOM 785 CA LYS A 79 6.146 1.279 -10.987 1.00 0.00 C ATOM 786 C LYS A 79 6.112 2.640 -11.698 1.00 0.00 C ATOM 787 O LYS A 79 6.731 2.805 -12.752 1.00 0.00 O ATOM 788 CB LYS A 79 5.352 0.284 -11.844 1.00 0.00 C ATOM 789 CG LYS A 79 6.289 -0.737 -12.432 1.00 0.00 C ATOM 790 CD LYS A 79 6.685 -1.823 -11.427 1.00 0.00 C ATOM 791 CE LYS A 79 5.669 -2.947 -11.613 1.00 0.00 C ATOM 792 NZ LYS A 79 5.770 -4.016 -10.598 1.00 0.00 N ATOM 0 H LYS A 79 4.759 0.752 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 79 7.196 1.005 -10.888 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.594 -0.211 -11.237 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.828 0.812 -12.640 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.816 -1.203 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.187 -0.235 -12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.699 -2.177 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.663 -1.440 -10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.665 -2.525 -11.584 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.802 -3.384 -12.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.421 -4.910 -10.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.763 -4.130 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.197 -3.762 -9.768 1.00 0.00 H new ATOM 806 N LYS A 80 5.278 3.534 -11.171 1.00 0.00 N ATOM 807 CA LYS A 80 5.021 4.918 -11.614 1.00 0.00 C ATOM 808 C LYS A 80 5.703 5.904 -10.640 1.00 0.00 C ATOM 809 O LYS A 80 6.875 5.723 -10.328 1.00 0.00 O ATOM 810 CB LYS A 80 3.496 5.118 -11.850 1.00 0.00 C ATOM 811 CG LYS A 80 3.014 4.875 -13.293 1.00 0.00 C ATOM 812 CD LYS A 80 3.233 3.453 -13.827 1.00 0.00 C ATOM 813 CE LYS A 80 2.413 3.178 -15.101 1.00 0.00 C ATOM 814 NZ LYS A 80 2.802 4.027 -16.256 1.00 0.00 N ATOM 0 H LYS A 80 4.714 3.297 -10.355 1.00 0.00 H new ATOM 0 HA LYS A 80 5.474 5.131 -12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.952 4.447 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.231 6.136 -11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.950 5.106 -13.347 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.526 5.576 -13.952 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.292 3.305 -14.039 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.959 2.731 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.528 2.130 -15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.357 3.337 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.210 3.788 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.667 5.029 -16.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.802 3.859 -16.489 1.00 0.00 H new ATOM 828 N GLU A 81 5.033 6.973 -10.205 1.00 0.00 N ATOM 829 CA GLU A 81 5.623 8.101 -9.466 1.00 0.00 C ATOM 830 C GLU A 81 4.660 8.587 -8.353 1.00 0.00 C ATOM 831 O GLU A 81 4.491 9.788 -8.162 1.00 0.00 O ATOM 832 CB GLU A 81 6.012 9.216 -10.482 1.00 0.00 C ATOM 833 CG GLU A 81 7.083 10.213 -9.980 1.00 0.00 C ATOM 834 CD GLU A 81 7.378 11.371 -10.962 1.00 0.00 C ATOM 835 OE1 GLU A 81 7.425 11.168 -12.194 1.00 0.00 O ATOM 836 OE2 GLU A 81 7.592 12.529 -10.506 1.00 0.00 O ATOM 0 H GLU A 81 4.031 7.085 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 81 6.533 7.791 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.376 8.744 -11.395 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.114 9.774 -10.748 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.756 10.632 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.008 9.670 -9.788 1.00 0.00 H new ATOM 843 N MET A 82 3.949 7.691 -7.645 1.00 0.00 N ATOM 844 CA MET A 82 3.060 8.062 -6.562 1.00 0.00 C ATOM 845 C MET A 82 3.769 7.730 -5.241 1.00 0.00 C ATOM 846 O MET A 82 4.098 8.640 -4.479 1.00 0.00 O ATOM 847 CB MET A 82 1.731 7.321 -6.816 1.00 0.00 C ATOM 848 CG MET A 82 0.971 7.066 -5.525 1.00 0.00 C ATOM 849 SD MET A 82 -0.792 6.655 -5.648 1.00 0.00 S ATOM 850 CE MET A 82 -1.453 8.273 -6.132 1.00 0.00 C ATOM 0 H MET A 82 3.985 6.687 -7.820 1.00 0.00 H new ATOM 0 HA MET A 82 2.822 9.124 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.111 7.909 -7.493 1.00 0.00 H new ATOM 0 HB3 MET A 82 1.933 6.372 -7.312 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.469 6.252 -4.999 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.065 7.954 -4.900 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.516 8.317 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.928 9.058 -5.588 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.313 8.418 -7.203 1.00 0.00 H new ATOM 860 N LEU A 83 4.067 6.447 -5.002 1.00 0.00 N ATOM 861 CA LEU A 83 4.776 5.936 -3.823 1.00 0.00 C ATOM 862 C LEU A 83 6.033 5.174 -4.247 1.00 0.00 C ATOM 863 O LEU A 83 6.165 4.790 -5.407 1.00 0.00 O ATOM 864 CB LEU A 83 3.890 4.958 -3.009 1.00 0.00 C ATOM 865 CG LEU A 83 2.541 5.457 -2.460 1.00 0.00 C ATOM 866 CD1 LEU A 83 2.126 4.634 -1.242 1.00 0.00 C ATOM 867 CD2 LEU A 83 2.589 6.917 -2.052 1.00 0.00 C ATOM 0 H LEU A 83 3.809 5.705 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 83 5.033 6.799 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.689 4.092 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.480 4.605 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 83 1.817 5.344 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.170 4.999 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.028 3.586 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.883 4.729 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.614 7.221 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.340 7.053 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.848 7.528 -2.917 1.00 0.00 H new ATOM 879 N SER A 84 6.872 4.851 -3.265 1.00 0.00 N ATOM 880 CA SER A 84 7.994 3.914 -3.368 1.00 0.00 C ATOM 881 C SER A 84 7.900 2.886 -2.244 1.00 0.00 C ATOM 882 O SER A 84 7.034 2.923 -1.363 1.00 0.00 O ATOM 883 CB SER A 84 9.366 4.603 -3.295 1.00 0.00 C ATOM 884 OG SER A 84 9.742 5.182 -4.529 1.00 0.00 O ATOM 0 H SER A 84 6.786 5.253 -2.331 1.00 0.00 H new ATOM 0 HA SER A 84 7.919 3.440 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.342 5.375 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.120 3.876 -2.993 1.00 0.00 H new ATOM 0 HG SER A 84 10.678 5.468 -4.484 1.00 0.00 H new ATOM 890 N THR A 85 8.790 1.907 -2.314 1.00 0.00 N ATOM 891 CA THR A 85 8.946 0.879 -1.293 1.00 0.00 C ATOM 892 C THR A 85 10.406 0.462 -1.147 1.00 0.00 C ATOM 893 O THR A 85 11.196 0.509 -2.096 1.00 0.00 O ATOM 894 CB THR A 85 8.025 -0.297 -1.658 1.00 0.00 C ATOM 895 OG1 THR A 85 8.195 -1.408 -0.813 1.00 0.00 O ATOM 896 CG2 THR A 85 8.215 -0.777 -3.098 1.00 0.00 C ATOM 0 H THR A 85 9.436 1.802 -3.096 1.00 0.00 H new ATOM 0 HA THR A 85 8.655 1.265 -0.316 1.00 0.00 H new ATOM 0 HB THR A 85 7.020 0.107 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.006 -1.147 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.538 -1.608 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.998 0.040 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.245 -1.106 -3.239 1.00 0.00 H new ATOM 904 N GLU A 86 10.740 -0.005 0.047 1.00 0.00 N ATOM 905 CA GLU A 86 12.016 -0.618 0.398 1.00 0.00 C ATOM 906 C GLU A 86 11.791 -1.844 1.297 1.00 0.00 C ATOM 907 O GLU A 86 10.664 -2.190 1.655 1.00 0.00 O ATOM 908 CB GLU A 86 12.957 0.421 1.029 1.00 0.00 C ATOM 909 CG GLU A 86 12.394 1.087 2.292 1.00 0.00 C ATOM 910 CD GLU A 86 12.145 2.577 2.049 1.00 0.00 C ATOM 911 OE1 GLU A 86 11.110 2.910 1.430 1.00 0.00 O ATOM 912 OE2 GLU A 86 13.002 3.373 2.499 1.00 0.00 O ATOM 0 H GLU A 86 10.097 0.035 0.838 1.00 0.00 H new ATOM 0 HA GLU A 86 12.507 -0.976 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.902 -0.063 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.177 1.192 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.463 0.600 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.092 0.959 3.119 1.00 0.00 H new ATOM 919 N LYS A 87 12.866 -2.536 1.666 1.00 0.00 N ATOM 920 CA LYS A 87 12.832 -3.851 2.292 1.00 0.00 C ATOM 921 C LYS A 87 13.491 -3.805 3.664 1.00 0.00 C ATOM 922 O LYS A 87 14.656 -3.439 3.774 1.00 0.00 O ATOM 923 CB LYS A 87 13.597 -4.734 1.322 1.00 0.00 C ATOM 924 CG LYS A 87 13.688 -6.181 1.767 1.00 0.00 C ATOM 925 CD LYS A 87 14.801 -6.766 0.913 1.00 0.00 C ATOM 926 CE LYS A 87 14.765 -8.260 1.103 1.00 0.00 C ATOM 927 NZ LYS A 87 15.649 -8.952 0.132 1.00 0.00 N ATOM 0 H LYS A 87 13.814 -2.184 1.532 1.00 0.00 H new ATOM 0 HA LYS A 87 11.822 -4.221 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.114 -4.692 0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.604 -4.336 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.920 -6.257 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.746 -6.706 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.658 -6.507 -0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.769 -6.363 1.212 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.075 -8.506 2.119 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.742 -8.618 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.601 -9.979 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.338 -8.736 -0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.628 -8.627 0.261 1.00 0.00 H new ATOM 941 N GLU A 88 12.741 -4.196 4.684 1.00 0.00 N ATOM 942 CA GLU A 88 13.107 -4.074 6.100 1.00 0.00 C ATOM 943 C GLU A 88 12.391 -5.085 7.002 1.00 0.00 C ATOM 944 O GLU A 88 11.272 -5.525 6.733 1.00 0.00 O ATOM 945 CB GLU A 88 12.768 -2.666 6.616 1.00 0.00 C ATOM 946 CG GLU A 88 13.936 -1.687 6.505 1.00 0.00 C ATOM 947 CD GLU A 88 15.125 -1.999 7.433 1.00 0.00 C ATOM 948 OE1 GLU A 88 15.208 -3.101 8.028 1.00 0.00 O ATOM 949 OE2 GLU A 88 16.007 -1.116 7.559 1.00 0.00 O ATOM 0 H GLU A 88 11.825 -4.624 4.550 1.00 0.00 H new ATOM 0 HA GLU A 88 14.178 -4.272 6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.920 -2.275 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.456 -2.733 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.289 -1.679 5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.574 -0.683 6.726 1.00 0.00 H new ATOM 956 N GLY A 89 13.040 -5.448 8.115 1.00 0.00 N ATOM 957 CA GLY A 89 12.536 -6.467 9.055 1.00 0.00 C ATOM 958 C GLY A 89 12.059 -7.769 8.382 1.00 0.00 C ATOM 959 O GLY A 89 11.055 -8.346 8.793 1.00 0.00 O ATOM 0 H GLY A 89 13.934 -5.044 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.324 -6.708 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.709 -6.042 9.625 1.00 0.00 H new ATOM 963 N ARG A 90 12.743 -8.171 7.292 1.00 0.00 N ATOM 964 CA ARG A 90 12.418 -9.244 6.308 1.00 0.00 C ATOM 965 C ARG A 90 11.081 -9.096 5.535 1.00 0.00 C ATOM 966 O ARG A 90 10.831 -9.867 4.609 1.00 0.00 O ATOM 967 CB ARG A 90 12.602 -10.637 6.953 1.00 0.00 C ATOM 968 CG ARG A 90 13.333 -11.629 6.027 1.00 0.00 C ATOM 969 CD ARG A 90 13.558 -12.982 6.720 1.00 0.00 C ATOM 970 NE ARG A 90 14.443 -13.878 5.936 1.00 0.00 N ATOM 971 CZ ARG A 90 15.678 -14.247 6.236 1.00 0.00 C ATOM 972 NH1 ARG A 90 16.365 -13.756 7.226 1.00 0.00 N ATOM 973 NH2 ARG A 90 16.309 -15.116 5.509 1.00 0.00 N ATOM 0 H ARG A 90 13.622 -7.714 7.048 1.00 0.00 H new ATOM 0 HA ARG A 90 13.146 -9.124 5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.163 -10.532 7.881 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.625 -11.043 7.215 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.751 -11.777 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.293 -11.209 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.995 -12.815 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.597 -13.471 6.877 1.00 0.00 H new ATOM 0 HE ARG A 90 14.057 -14.251 5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.954 -13.041 7.827 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.314 -14.086 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.854 -15.525 4.693 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.261 -15.390 5.753 1.00 0.00 H new ATOM 987 N LYS A 91 10.287 -8.068 5.857 1.00 0.00 N ATOM 988 CA LYS A 91 9.089 -7.551 5.172 1.00 0.00 C ATOM 989 C LYS A 91 9.422 -6.427 4.171 1.00 0.00 C ATOM 990 O LYS A 91 10.574 -6.033 3.977 1.00 0.00 O ATOM 991 CB LYS A 91 8.143 -6.988 6.257 1.00 0.00 C ATOM 992 CG LYS A 91 7.063 -7.993 6.664 1.00 0.00 C ATOM 993 CD LYS A 91 6.279 -7.426 7.856 1.00 0.00 C ATOM 994 CE LYS A 91 5.325 -8.436 8.502 1.00 0.00 C ATOM 995 NZ LYS A 91 6.064 -9.587 9.077 1.00 0.00 N ATOM 0 H LYS A 91 10.487 -7.517 6.692 1.00 0.00 H new ATOM 0 HA LYS A 91 8.633 -8.363 4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.726 -6.709 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.669 -6.079 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.391 -8.183 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.517 -8.947 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.984 -7.073 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.707 -6.560 7.524 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.748 -7.944 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.613 -8.794 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.434 -10.126 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.398 -10.204 8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.879 -9.239 9.621 1.00 0.00 H new ATOM 1009 N PHE A 92 8.384 -5.910 3.516 1.00 0.00 N ATOM 1010 CA PHE A 92 8.468 -4.651 2.774 1.00 0.00 C ATOM 1011 C PHE A 92 7.919 -3.507 3.634 1.00 0.00 C ATOM 1012 O PHE A 92 6.994 -3.680 4.435 1.00 0.00 O ATOM 1013 CB PHE A 92 7.689 -4.721 1.463 1.00 0.00 C ATOM 1014 CG PHE A 92 8.470 -5.392 0.377 1.00 0.00 C ATOM 1015 CD1 PHE A 92 9.385 -4.636 -0.367 1.00 0.00 C ATOM 1016 CD2 PHE A 92 8.314 -6.763 0.141 1.00 0.00 C ATOM 1017 CE1 PHE A 92 10.150 -5.248 -1.367 1.00 0.00 C ATOM 1018 CE2 PHE A 92 9.082 -7.382 -0.865 1.00 0.00 C ATOM 1019 CZ PHE A 92 9.998 -6.623 -1.623 1.00 0.00 C ATOM 0 H PHE A 92 7.464 -6.349 3.484 1.00 0.00 H new ATOM 0 HA PHE A 92 9.516 -4.470 2.537 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.756 -5.262 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.422 -3.713 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.500 -3.581 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.612 -7.340 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.856 -4.666 -1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.969 -8.439 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.582 -7.097 -2.399 1.00 0.00 H new ATOM 1029 N VAL A 93 8.443 -2.318 3.370 1.00 0.00 N ATOM 1030 CA VAL A 93 7.978 -1.018 3.844 1.00 0.00 C ATOM 1031 C VAL A 93 7.531 -0.245 2.613 1.00 0.00 C ATOM 1032 O VAL A 93 8.232 -0.214 1.604 1.00 0.00 O ATOM 1033 CB VAL A 93 9.110 -0.269 4.577 1.00 0.00 C ATOM 1034 CG1 VAL A 93 8.830 1.235 4.679 1.00 0.00 C ATOM 1035 CG2 VAL A 93 9.283 -0.839 5.988 1.00 0.00 C ATOM 0 H VAL A 93 9.266 -2.228 2.774 1.00 0.00 H new ATOM 0 HA VAL A 93 7.160 -1.129 4.555 1.00 0.00 H new ATOM 0 HB VAL A 93 10.021 -0.409 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.652 1.723 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.735 1.656 3.678 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.903 1.396 5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 93 10.084 -0.306 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.354 -0.720 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 93 9.535 -1.898 5.924 1.00 0.00 H new ATOM 1045 N TYR A 94 6.366 0.387 2.694 1.00 0.00 N ATOM 1046 CA TYR A 94 5.839 1.277 1.669 1.00 0.00 C ATOM 1047 C TYR A 94 5.813 2.698 2.235 1.00 0.00 C ATOM 1048 O TYR A 94 5.344 2.943 3.351 1.00 0.00 O ATOM 1049 CB TYR A 94 4.470 0.770 1.200 1.00 0.00 C ATOM 1050 CG TYR A 94 4.582 -0.499 0.370 1.00 0.00 C ATOM 1051 CD1 TYR A 94 4.797 -1.752 0.989 1.00 0.00 C ATOM 1052 CD2 TYR A 94 4.544 -0.410 -1.036 1.00 0.00 C ATOM 1053 CE1 TYR A 94 4.974 -2.902 0.202 1.00 0.00 C ATOM 1054 CE2 TYR A 94 4.715 -1.565 -1.819 1.00 0.00 C ATOM 1055 CZ TYR A 94 4.948 -2.811 -1.207 1.00 0.00 C ATOM 1056 OH TYR A 94 5.120 -3.896 -2.006 1.00 0.00 O ATOM 0 H TYR A 94 5.745 0.291 3.498 1.00 0.00 H new ATOM 0 HA TYR A 94 6.472 1.292 0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.838 0.580 2.067 1.00 0.00 H new ATOM 0 HB3 TYR A 94 3.979 1.545 0.611 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.825 -1.825 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 94 4.383 0.546 -1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.131 -3.860 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.667 -1.496 -2.896 1.00 0.00 H new ATOM 0 HH TYR A 94 5.066 -3.622 -2.945 1.00 0.00 H new ATOM 1066 N ARG A 95 6.387 3.629 1.470 1.00 0.00 N ATOM 1067 CA ARG A 95 6.691 4.994 1.907 1.00 0.00 C ATOM 1068 C ARG A 95 6.498 5.990 0.745 1.00 0.00 C ATOM 1069 O ARG A 95 6.847 5.679 -0.393 1.00 0.00 O ATOM 1070 CB ARG A 95 8.140 4.937 2.450 1.00 0.00 C ATOM 1071 CG ARG A 95 8.752 6.273 2.884 1.00 0.00 C ATOM 1072 CD ARG A 95 10.132 6.098 3.541 1.00 0.00 C ATOM 1073 NE ARG A 95 10.054 5.780 4.989 1.00 0.00 N ATOM 1074 CZ ARG A 95 10.856 6.240 5.943 1.00 0.00 C ATOM 1075 NH1 ARG A 95 11.775 7.142 5.718 1.00 0.00 N ATOM 1076 NH2 ARG A 95 10.765 5.864 7.184 1.00 0.00 N ATOM 0 H ARG A 95 6.661 3.450 0.504 1.00 0.00 H new ATOM 0 HA ARG A 95 6.020 5.353 2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.160 4.258 3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.778 4.502 1.680 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.846 6.926 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.079 6.768 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.673 5.302 3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.710 7.013 3.407 1.00 0.00 H new ATOM 0 HE ARG A 95 9.311 5.145 5.280 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.898 7.521 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.369 7.466 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.054 5.187 7.461 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.404 6.246 7.881 1.00 0.00 H new ATOM 1090 N PRO A 96 5.910 7.179 0.963 1.00 0.00 N ATOM 1091 CA PRO A 96 5.906 8.246 -0.037 1.00 0.00 C ATOM 1092 C PRO A 96 7.300 8.889 -0.129 1.00 0.00 C ATOM 1093 O PRO A 96 8.032 8.946 0.856 1.00 0.00 O ATOM 1094 CB PRO A 96 4.848 9.241 0.452 1.00 0.00 C ATOM 1095 CG PRO A 96 4.910 9.107 1.973 1.00 0.00 C ATOM 1096 CD PRO A 96 5.296 7.644 2.195 1.00 0.00 C ATOM 0 HA PRO A 96 5.673 7.887 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 96 5.073 10.257 0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.858 8.996 0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.646 9.785 2.405 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.951 9.342 2.435 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.989 7.550 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.418 7.046 2.439 1.00 0.00 H new ATOM 1104 N LEU A 97 7.653 9.441 -1.292 1.00 0.00 N ATOM 1105 CA LEU A 97 8.982 9.998 -1.574 1.00 0.00 C ATOM 1106 C LEU A 97 9.414 11.192 -0.688 1.00 0.00 C ATOM 1107 O LEU A 97 10.609 11.463 -0.582 1.00 0.00 O ATOM 1108 CB LEU A 97 9.052 10.328 -3.085 1.00 0.00 C ATOM 1109 CG LEU A 97 10.212 9.697 -3.866 1.00 0.00 C ATOM 1110 CD1 LEU A 97 11.568 10.161 -3.348 1.00 0.00 C ATOM 1111 CD2 LEU A 97 10.153 8.175 -3.824 1.00 0.00 C ATOM 0 H LEU A 97 7.011 9.516 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 97 9.714 9.236 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.117 10.013 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.114 11.411 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 97 10.100 10.030 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.360 9.690 -3.929 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.643 11.244 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 97 11.672 9.881 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.990 7.763 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.211 7.837 -2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.216 7.835 -4.265 1.00 0.00 H new ATOM 1123 N MET A 98 8.471 11.844 0.004 1.00 0.00 N ATOM 1124 CA MET A 98 8.709 13.055 0.810 1.00 0.00 C ATOM 1125 C MET A 98 9.215 14.229 -0.062 1.00 0.00 C ATOM 1126 O MET A 98 9.053 14.214 -1.283 1.00 0.00 O ATOM 1127 CB MET A 98 9.626 12.691 2.008 1.00 0.00 C ATOM 1128 CG MET A 98 9.122 13.194 3.369 1.00 0.00 C ATOM 1129 SD MET A 98 9.078 14.988 3.644 1.00 0.00 S ATOM 1130 CE MET A 98 10.847 15.367 3.813 1.00 0.00 C ATOM 0 H MET A 98 7.498 11.539 0.021 1.00 0.00 H new ATOM 0 HA MET A 98 7.773 13.423 1.229 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.733 11.607 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.619 13.102 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.114 12.808 3.517 1.00 0.00 H new ATOM 0 HG3 MET A 98 9.749 12.752 4.143 1.00 0.00 H new ATOM 0 HE1 MET A 98 10.990 16.448 3.808 1.00 0.00 H new ATOM 0 HE2 MET A 98 11.219 14.956 4.751 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.395 14.925 2.981 1.00 0.00 H new ATOM 1140 N GLU A 99 9.781 15.256 0.576 1.00 0.00 N ATOM 1141 CA GLU A 99 10.375 16.455 -0.035 1.00 0.00 C ATOM 1142 C GLU A 99 11.763 16.740 0.579 1.00 0.00 C ATOM 1143 O GLU A 99 12.649 15.860 0.462 1.00 0.00 O ATOM 1144 CB GLU A 99 9.354 17.611 0.106 1.00 0.00 C ATOM 1145 CG GLU A 99 9.526 18.783 -0.888 1.00 0.00 C ATOM 1146 CD GLU A 99 8.578 18.746 -2.108 1.00 0.00 C ATOM 1147 OE1 GLU A 99 7.382 18.383 -1.975 1.00 0.00 O ATOM 1148 OE2 GLU A 99 8.992 19.160 -3.220 1.00 0.00 O ATOM 0 H GLU A 99 9.842 15.277 1.594 1.00 0.00 H new ATOM 0 HA GLU A 99 10.568 16.319 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.351 17.202 -0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 99 9.418 18.006 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 99 9.370 19.720 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.555 18.788 -1.246 1.00 0.00 H new TER 1155 GLU A 99