USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 950 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0792 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -3.97! C(o=-4!,f=-8.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HE2:sc= -10.1! C(o=-10!,f=-7.8!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -14:sc= 0.905 USER MOD Single : A 34 TYR OH : rot 129:sc= 0.0147 USER MOD Single : A 37 LYS NZ :NH3+ 171:sc= 0.00587 (180deg=0.000629) USER MOD Single : A 41 GLN : amide:sc= -0.0998 K(o=-0.1,f=-1.7!) USER MOD Single : A 43 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.03) USER MOD Single : A 49 GLN : amide:sc= -4.9! C(o=-4.9!,f=-16!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.1) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00154) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.141 USER MOD Single : A 79 THR OG1 : rot 73:sc= 0.963 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -78:sc= 0.896 USER MOD Single : A 94 TYR OH : rot 136:sc= 0.0673 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.381 K(o=-0.38,f=-3.3) USER MOD Single : A 103 MET CE :methyl -173:sc= -0.661 (180deg=-0.95) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= -0.617 (180deg=-0.957) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 46.115 -20.412 -25.762 1.00 0.00 N ATOM 2 CA GLY A 1 45.113 -20.031 -24.784 1.00 0.00 C ATOM 3 C GLY A 1 45.682 -19.163 -23.679 1.00 0.00 C ATOM 4 O GLY A 1 46.889 -18.924 -23.628 1.00 0.00 O ATOM 0 H1 GLY A 1 45.969 -19.870 -26.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 47.063 -20.211 -25.384 1.00 0.00 H new ATOM 0 H3 GLY A 1 46.032 -21.428 -25.966 1.00 0.00 H new ATOM 0 HA2 GLY A 1 44.307 -19.495 -25.284 1.00 0.00 H new ATOM 0 HA3 GLY A 1 44.676 -20.929 -24.348 1.00 0.00 H new ATOM 8 N SER A 2 44.813 -18.690 -22.793 1.00 0.00 N ATOM 9 CA SER A 2 45.235 -17.839 -21.686 1.00 0.00 C ATOM 10 C SER A 2 44.872 -18.471 -20.346 1.00 0.00 C ATOM 11 O SER A 2 45.732 -18.674 -19.490 1.00 0.00 O ATOM 12 CB SER A 2 44.590 -16.457 -21.803 1.00 0.00 C ATOM 13 OG SER A 2 44.708 -15.735 -20.589 1.00 0.00 O ATOM 0 H SER A 2 43.811 -18.881 -22.819 1.00 0.00 H new ATOM 0 HA SER A 2 46.319 -17.731 -21.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 45.064 -15.898 -22.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 43.537 -16.564 -22.065 1.00 0.00 H new ATOM 0 HG SER A 2 44.289 -14.855 -20.690 1.00 0.00 H new ATOM 19 N SER A 3 43.591 -18.779 -20.172 1.00 0.00 N ATOM 20 CA SER A 3 43.111 -19.384 -18.935 1.00 0.00 C ATOM 21 C SER A 3 42.804 -20.865 -19.138 1.00 0.00 C ATOM 22 O SER A 3 42.687 -21.337 -20.268 1.00 0.00 O ATOM 23 CB SER A 3 41.861 -18.656 -18.437 1.00 0.00 C ATOM 24 OG SER A 3 42.145 -17.300 -18.142 1.00 0.00 O ATOM 0 H SER A 3 42.867 -18.620 -20.872 1.00 0.00 H new ATOM 0 HA SER A 3 43.898 -19.293 -18.186 1.00 0.00 H new ATOM 0 HB2 SER A 3 41.079 -18.711 -19.194 1.00 0.00 H new ATOM 0 HB3 SER A 3 41.478 -19.153 -17.546 1.00 0.00 H new ATOM 0 HG SER A 3 41.330 -16.856 -17.827 1.00 0.00 H new ATOM 30 N GLY A 4 42.675 -21.593 -18.033 1.00 0.00 N ATOM 31 CA GLY A 4 42.383 -23.013 -18.110 1.00 0.00 C ATOM 32 C GLY A 4 42.792 -23.758 -16.855 1.00 0.00 C ATOM 33 O GLY A 4 43.317 -24.869 -16.929 1.00 0.00 O ATOM 0 H GLY A 4 42.767 -21.225 -17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 41.315 -23.153 -18.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 42.901 -23.441 -18.968 1.00 0.00 H new ATOM 37 N SER A 5 42.554 -23.145 -15.700 1.00 0.00 N ATOM 38 CA SER A 5 42.907 -23.755 -14.424 1.00 0.00 C ATOM 39 C SER A 5 41.713 -24.491 -13.825 1.00 0.00 C ATOM 40 O SER A 5 40.566 -24.078 -13.995 1.00 0.00 O ATOM 41 CB SER A 5 43.407 -22.690 -13.446 1.00 0.00 C ATOM 42 OG SER A 5 42.328 -22.089 -12.751 1.00 0.00 O ATOM 0 H SER A 5 42.118 -22.226 -15.622 1.00 0.00 H new ATOM 0 HA SER A 5 43.704 -24.477 -14.603 1.00 0.00 H new ATOM 0 HB2 SER A 5 44.096 -23.142 -12.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 43.965 -21.927 -13.989 1.00 0.00 H new ATOM 0 HG SER A 5 42.674 -21.413 -12.131 1.00 0.00 H new ATOM 48 N SER A 6 41.991 -25.585 -13.123 1.00 0.00 N ATOM 49 CA SER A 6 40.940 -26.382 -12.501 1.00 0.00 C ATOM 50 C SER A 6 40.791 -26.027 -11.024 1.00 0.00 C ATOM 51 O SER A 6 41.652 -26.350 -10.207 1.00 0.00 O ATOM 52 CB SER A 6 41.247 -27.874 -12.650 1.00 0.00 C ATOM 53 OG SER A 6 40.293 -28.662 -11.958 1.00 0.00 O ATOM 0 H SER A 6 42.935 -25.940 -12.971 1.00 0.00 H new ATOM 0 HA SER A 6 40.001 -26.159 -13.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 41.250 -28.144 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 6 42.245 -28.084 -12.265 1.00 0.00 H new ATOM 0 HG SER A 6 40.510 -29.611 -12.070 1.00 0.00 H new ATOM 59 N GLY A 7 39.690 -25.360 -10.691 1.00 0.00 N ATOM 60 CA GLY A 7 39.447 -24.972 -9.314 1.00 0.00 C ATOM 61 C GLY A 7 37.979 -24.717 -9.034 1.00 0.00 C ATOM 62 O GLY A 7 37.176 -25.650 -8.990 1.00 0.00 O ATOM 0 H GLY A 7 38.963 -25.082 -11.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 39.810 -25.756 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 40.019 -24.072 -9.087 1.00 0.00 H new ATOM 66 N THR A 8 37.626 -23.450 -8.842 1.00 0.00 N ATOM 67 CA THR A 8 36.245 -23.076 -8.562 1.00 0.00 C ATOM 68 C THR A 8 35.846 -21.826 -9.339 1.00 0.00 C ATOM 69 O THR A 8 36.681 -20.966 -9.623 1.00 0.00 O ATOM 70 CB THR A 8 36.025 -22.824 -7.059 1.00 0.00 C ATOM 71 OG1 THR A 8 36.944 -21.832 -6.588 1.00 0.00 O ATOM 72 CG2 THR A 8 36.207 -24.108 -6.263 1.00 0.00 C ATOM 0 H THR A 8 38.277 -22.666 -8.875 1.00 0.00 H new ATOM 0 HA THR A 8 35.621 -23.912 -8.878 1.00 0.00 H new ATOM 0 HB THR A 8 35.004 -22.469 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 8 36.796 -21.677 -5.632 1.00 0.00 H new ATOM 0 HG21 THR A 8 36.047 -23.905 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 8 35.487 -24.852 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 8 37.218 -24.488 -6.411 1.00 0.00 H new ATOM 80 N LEU A 9 34.566 -21.730 -9.679 1.00 0.00 N ATOM 81 CA LEU A 9 34.055 -20.583 -10.422 1.00 0.00 C ATOM 82 C LEU A 9 33.075 -19.778 -9.575 1.00 0.00 C ATOM 83 O LEU A 9 32.028 -19.349 -10.060 1.00 0.00 O ATOM 84 CB LEU A 9 33.372 -21.049 -11.710 1.00 0.00 C ATOM 85 CG LEU A 9 32.174 -21.982 -11.534 1.00 0.00 C ATOM 86 CD1 LEU A 9 31.201 -21.826 -12.693 1.00 0.00 C ATOM 87 CD2 LEU A 9 32.637 -23.427 -11.415 1.00 0.00 C ATOM 0 H LEU A 9 33.862 -22.433 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 9 34.898 -19.941 -10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.043 -20.169 -12.262 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.113 -21.555 -12.328 1.00 0.00 H new ATOM 0 HG LEU A 9 31.657 -21.710 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 9 30.355 -22.498 -12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 9 30.844 -20.797 -12.733 1.00 0.00 H new ATOM 0 HD13 LEU A 9 31.706 -22.071 -13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 9 31.771 -24.077 -11.290 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.177 -23.711 -12.318 1.00 0.00 H new ATOM 0 HD23 LEU A 9 33.294 -23.528 -10.552 1.00 0.00 H new ATOM 99 N ALA A 10 33.423 -19.575 -8.309 1.00 0.00 N ATOM 100 CA ALA A 10 32.576 -18.818 -7.396 1.00 0.00 C ATOM 101 C ALA A 10 33.410 -18.113 -6.331 1.00 0.00 C ATOM 102 O ALA A 10 34.491 -18.576 -5.970 1.00 0.00 O ATOM 103 CB ALA A 10 31.550 -19.733 -6.745 1.00 0.00 C ATOM 0 H ALA A 10 34.286 -19.924 -7.892 1.00 0.00 H new ATOM 0 HA ALA A 10 32.052 -18.057 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 10 30.925 -19.153 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 10 30.926 -20.186 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 10 32.063 -20.516 -6.187 1.00 0.00 H new ATOM 109 N GLN A 11 32.900 -16.991 -5.833 1.00 0.00 N ATOM 110 CA GLN A 11 33.599 -16.222 -4.811 1.00 0.00 C ATOM 111 C GLN A 11 32.620 -15.667 -3.782 1.00 0.00 C ATOM 112 O GLN A 11 31.513 -15.239 -4.111 1.00 0.00 O ATOM 113 CB GLN A 11 34.387 -15.079 -5.452 1.00 0.00 C ATOM 114 CG GLN A 11 35.584 -15.545 -6.265 1.00 0.00 C ATOM 115 CD GLN A 11 35.196 -16.032 -7.648 1.00 0.00 C ATOM 116 OE1 GLN A 11 34.013 -16.118 -7.979 1.00 0.00 O ATOM 117 NE2 GLN A 11 36.193 -16.353 -8.464 1.00 0.00 N ATOM 0 H GLN A 11 32.005 -16.595 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 11 34.293 -16.890 -4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 11 33.721 -14.507 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 11 34.731 -14.403 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 11 36.296 -14.725 -6.359 1.00 0.00 H new ATOM 0 HG3 GLN A 11 36.091 -16.348 -5.730 1.00 0.00 H new ATOM 0 HE21 GLN A 11 37.159 -16.266 -8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 11 35.993 -16.686 -9.407 1.00 0.00 H new ATOM 126 N PRO A 12 33.034 -15.673 -2.506 1.00 0.00 N ATOM 127 CA PRO A 12 32.208 -15.172 -1.404 1.00 0.00 C ATOM 128 C PRO A 12 32.041 -13.657 -1.445 1.00 0.00 C ATOM 129 O PRO A 12 33.009 -12.921 -1.639 1.00 0.00 O ATOM 130 CB PRO A 12 32.990 -15.590 -0.156 1.00 0.00 C ATOM 131 CG PRO A 12 34.404 -15.699 -0.615 1.00 0.00 C ATOM 132 CD PRO A 12 34.341 -16.167 -2.042 1.00 0.00 C ATOM 0 HA PRO A 12 31.194 -15.570 -1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 12 32.888 -14.853 0.641 1.00 0.00 H new ATOM 0 HB3 PRO A 12 32.628 -16.539 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 12 34.913 -14.738 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 34.962 -16.403 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.159 -15.758 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 12 34.408 -17.253 -2.112 1.00 0.00 H new ATOM 140 N VAL A 13 30.808 -13.197 -1.262 1.00 0.00 N ATOM 141 CA VAL A 13 30.515 -11.769 -1.277 1.00 0.00 C ATOM 142 C VAL A 13 30.667 -11.162 0.113 1.00 0.00 C ATOM 143 O VAL A 13 30.042 -11.614 1.073 1.00 0.00 O ATOM 144 CB VAL A 13 29.089 -11.493 -1.791 1.00 0.00 C ATOM 145 CG1 VAL A 13 28.782 -10.004 -1.744 1.00 0.00 C ATOM 146 CG2 VAL A 13 28.918 -12.037 -3.202 1.00 0.00 C ATOM 0 H VAL A 13 29.996 -13.793 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 13 31.233 -11.307 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 13 28.381 -12.005 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 13 27.771 -9.829 -2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.862 -9.648 -0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.493 -9.466 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 13 27.905 -11.834 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.634 -11.554 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 13 29.092 -13.113 -3.201 1.00 0.00 H new ATOM 156 N THR A 14 31.503 -10.133 0.216 1.00 0.00 N ATOM 157 CA THR A 14 31.739 -9.463 1.488 1.00 0.00 C ATOM 158 C THR A 14 30.722 -8.353 1.722 1.00 0.00 C ATOM 159 O THR A 14 30.284 -7.692 0.780 1.00 0.00 O ATOM 160 CB THR A 14 33.158 -8.867 1.555 1.00 0.00 C ATOM 161 OG1 THR A 14 33.399 -8.319 2.856 1.00 0.00 O ATOM 162 CG2 THR A 14 33.340 -7.785 0.502 1.00 0.00 C ATOM 0 H THR A 14 32.028 -9.746 -0.568 1.00 0.00 H new ATOM 0 HA THR A 14 31.633 -10.218 2.267 1.00 0.00 H new ATOM 0 HB THR A 14 33.873 -9.666 1.360 1.00 0.00 H new ATOM 0 HG1 THR A 14 34.304 -7.944 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.349 -7.379 0.568 1.00 0.00 H new ATOM 0 HG22 THR A 14 33.185 -8.212 -0.489 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.616 -6.988 0.671 1.00 0.00 H new ATOM 170 N ILE A 15 30.352 -8.152 2.982 1.00 0.00 N ATOM 171 CA ILE A 15 29.387 -7.119 3.339 1.00 0.00 C ATOM 172 C ILE A 15 29.891 -6.275 4.505 1.00 0.00 C ATOM 173 O ILE A 15 30.515 -6.789 5.432 1.00 0.00 O ATOM 174 CB ILE A 15 28.022 -7.727 3.713 1.00 0.00 C ATOM 175 CG1 ILE A 15 27.459 -8.530 2.538 1.00 0.00 C ATOM 176 CG2 ILE A 15 27.051 -6.633 4.129 1.00 0.00 C ATOM 177 CD1 ILE A 15 26.259 -9.376 2.905 1.00 0.00 C ATOM 0 H ILE A 15 30.706 -8.691 3.773 1.00 0.00 H new ATOM 0 HA ILE A 15 29.265 -6.486 2.460 1.00 0.00 H new ATOM 0 HB ILE A 15 28.160 -8.402 4.557 1.00 0.00 H new ATOM 0 HG12 ILE A 15 27.179 -7.843 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.242 -9.177 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 15 26.091 -7.079 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.451 -6.101 4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 15 26.914 -5.935 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 15 25.913 -9.917 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 15 26.539 -10.088 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 25.460 -8.733 3.273 1.00 0.00 H new ATOM 189 N ARG A 16 29.614 -4.976 4.451 1.00 0.00 N ATOM 190 CA ARG A 16 30.039 -4.060 5.503 1.00 0.00 C ATOM 191 C ARG A 16 28.869 -3.698 6.413 1.00 0.00 C ATOM 192 O ARG A 16 27.713 -3.723 5.993 1.00 0.00 O ATOM 193 CB ARG A 16 30.636 -2.791 4.893 1.00 0.00 C ATOM 194 CG ARG A 16 29.615 -1.918 4.181 1.00 0.00 C ATOM 195 CD ARG A 16 30.258 -1.098 3.074 1.00 0.00 C ATOM 196 NE ARG A 16 29.386 -0.020 2.614 1.00 0.00 N ATOM 197 CZ ARG A 16 29.551 0.616 1.460 1.00 0.00 C ATOM 198 NH1 ARG A 16 30.549 0.285 0.652 1.00 0.00 N ATOM 199 NH2 ARG A 16 28.716 1.587 1.111 1.00 0.00 N ATOM 0 H ARG A 16 29.097 -4.534 3.690 1.00 0.00 H new ATOM 0 HA ARG A 16 30.801 -4.561 6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 16 31.112 -2.209 5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 16 31.418 -3.071 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 16 28.829 -2.545 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 16 29.140 -1.251 4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 16 31.197 -0.676 3.434 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.502 -1.750 2.235 1.00 0.00 H new ATOM 0 HE ARG A 16 28.608 0.259 3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 16 31.193 -0.460 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 16 30.672 0.776 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 16 27.947 1.845 1.729 1.00 0.00 H new ATOM 0 HH22 ARG A 16 28.843 2.075 0.224 1.00 0.00 H new ATOM 213 N GLU A 17 29.179 -3.362 7.661 1.00 0.00 N ATOM 214 CA GLU A 17 28.153 -2.996 8.631 1.00 0.00 C ATOM 215 C GLU A 17 27.127 -2.055 8.008 1.00 0.00 C ATOM 216 O GLU A 17 27.464 -1.220 7.168 1.00 0.00 O ATOM 217 CB GLU A 17 28.790 -2.336 9.856 1.00 0.00 C ATOM 218 CG GLU A 17 27.797 -2.019 10.961 1.00 0.00 C ATOM 219 CD GLU A 17 28.463 -1.449 12.198 1.00 0.00 C ATOM 220 OE1 GLU A 17 29.511 -1.988 12.610 1.00 0.00 O ATOM 221 OE2 GLU A 17 27.936 -0.463 12.755 1.00 0.00 O ATOM 0 H GLU A 17 30.132 -3.336 8.024 1.00 0.00 H new ATOM 0 HA GLU A 17 27.642 -3.907 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 29.564 -2.994 10.252 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.283 -1.414 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 17 27.060 -1.307 10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 17 27.256 -2.926 11.230 1.00 0.00 H new ATOM 228 N ILE A 18 25.873 -2.197 8.424 1.00 0.00 N ATOM 229 CA ILE A 18 24.797 -1.360 7.907 1.00 0.00 C ATOM 230 C ILE A 18 24.935 0.077 8.398 1.00 0.00 C ATOM 231 O ILE A 18 25.156 0.320 9.584 1.00 0.00 O ATOM 232 CB ILE A 18 23.416 -1.901 8.319 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.200 -3.302 7.743 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.317 -0.956 7.855 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.032 -4.037 8.363 1.00 0.00 C ATOM 0 H ILE A 18 25.577 -2.884 9.118 1.00 0.00 H new ATOM 0 HA ILE A 18 24.876 -1.379 6.820 1.00 0.00 H new ATOM 0 HB ILE A 18 23.377 -1.966 9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.040 -3.223 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.107 -3.889 7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.346 -1.352 8.154 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.464 0.024 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.352 -0.862 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.939 -5.022 7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.199 -4.148 9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.116 -3.471 8.195 1.00 0.00 H new ATOM 247 N ALA A 19 24.801 1.026 7.478 1.00 0.00 N ATOM 248 CA ALA A 19 24.907 2.440 7.817 1.00 0.00 C ATOM 249 C ALA A 19 23.639 2.936 8.504 1.00 0.00 C ATOM 250 O ALA A 19 23.700 3.731 9.441 1.00 0.00 O ATOM 251 CB ALA A 19 25.190 3.263 6.569 1.00 0.00 C ATOM 0 H ALA A 19 24.619 0.841 6.492 1.00 0.00 H new ATOM 0 HA ALA A 19 25.737 2.560 8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.267 4.317 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.127 2.934 6.121 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.379 3.129 5.853 1.00 0.00 H new ATOM 257 N GLU A 20 22.491 2.461 8.030 1.00 0.00 N ATOM 258 CA GLU A 20 21.208 2.859 8.599 1.00 0.00 C ATOM 259 C GLU A 20 20.185 1.734 8.471 1.00 0.00 C ATOM 260 O GLU A 20 19.975 1.171 7.397 1.00 0.00 O ATOM 261 CB GLU A 20 20.687 4.119 7.905 1.00 0.00 C ATOM 262 CG GLU A 20 19.626 4.859 8.704 1.00 0.00 C ATOM 263 CD GLU A 20 19.277 6.206 8.102 1.00 0.00 C ATOM 264 OE1 GLU A 20 18.760 6.231 6.966 1.00 0.00 O ATOM 265 OE2 GLU A 20 19.521 7.235 8.767 1.00 0.00 O ATOM 0 H GLU A 20 22.423 1.801 7.255 1.00 0.00 H new ATOM 0 HA GLU A 20 21.358 3.072 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.523 4.792 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.274 3.845 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 20 18.726 4.246 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.979 5.002 9.725 1.00 0.00 H new ATOM 272 N PRO A 21 19.531 1.400 9.593 1.00 0.00 N ATOM 273 CA PRO A 21 18.519 0.340 9.634 1.00 0.00 C ATOM 274 C PRO A 21 17.244 0.728 8.891 1.00 0.00 C ATOM 275 O PRO A 21 16.883 1.901 8.800 1.00 0.00 O ATOM 276 CB PRO A 21 18.237 0.176 11.129 1.00 0.00 C ATOM 277 CG PRO A 21 18.588 1.494 11.728 1.00 0.00 C ATOM 278 CD PRO A 21 19.730 2.029 10.910 1.00 0.00 C ATOM 0 HA PRO A 21 18.865 -0.573 9.149 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.192 -0.075 11.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.836 -0.626 11.559 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.737 2.174 11.701 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.875 1.383 12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 21 19.702 3.117 10.844 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.694 1.760 11.342 1.00 0.00 H new ATOM 286 N PRO A 22 16.546 -0.280 8.347 1.00 0.00 N ATOM 287 CA PRO A 22 15.301 -0.069 7.604 1.00 0.00 C ATOM 288 C PRO A 22 14.153 0.368 8.507 1.00 0.00 C ATOM 289 O PRO A 22 13.674 -0.404 9.339 1.00 0.00 O ATOM 290 CB PRO A 22 15.011 -1.445 6.999 1.00 0.00 C ATOM 291 CG PRO A 22 15.692 -2.409 7.908 1.00 0.00 C ATOM 292 CD PRO A 22 16.918 -1.703 8.416 1.00 0.00 C ATOM 0 HA PRO A 22 15.398 0.725 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.939 -1.638 6.949 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.396 -1.520 5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.038 -2.698 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.959 -3.323 7.378 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.163 -2.005 9.434 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.791 -1.920 7.800 1.00 0.00 H new ATOM 300 N LYS A 23 13.714 1.611 8.339 1.00 0.00 N ATOM 301 CA LYS A 23 12.621 2.152 9.138 1.00 0.00 C ATOM 302 C LYS A 23 11.464 2.595 8.249 1.00 0.00 C ATOM 303 O LYS A 23 11.629 3.455 7.382 1.00 0.00 O ATOM 304 CB LYS A 23 13.112 3.333 9.980 1.00 0.00 C ATOM 305 CG LYS A 23 13.580 2.936 11.369 1.00 0.00 C ATOM 306 CD LYS A 23 14.720 1.933 11.309 1.00 0.00 C ATOM 307 CE LYS A 23 15.326 1.695 12.683 1.00 0.00 C ATOM 308 NZ LYS A 23 14.388 0.971 13.586 1.00 0.00 N ATOM 0 H LYS A 23 14.099 2.263 7.656 1.00 0.00 H new ATOM 0 HA LYS A 23 12.265 1.364 9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.931 3.826 9.457 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.307 4.063 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.904 3.824 11.912 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.747 2.508 11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.355 0.990 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.490 2.296 10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.246 1.120 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.596 2.651 13.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.839 0.828 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.520 1.531 13.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.150 0.048 13.171 1.00 0.00 H new ATOM 322 N ILE A 24 10.295 2.004 8.469 1.00 0.00 N ATOM 323 CA ILE A 24 9.110 2.340 7.688 1.00 0.00 C ATOM 324 C ILE A 24 8.248 3.368 8.413 1.00 0.00 C ATOM 325 O ILE A 24 7.407 3.015 9.240 1.00 0.00 O ATOM 326 CB ILE A 24 8.259 1.091 7.390 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.050 0.101 6.533 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.965 1.486 6.695 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.295 -1.173 6.229 1.00 0.00 C ATOM 0 H ILE A 24 10.142 1.290 9.181 1.00 0.00 H new ATOM 0 HA ILE A 24 9.461 2.763 6.747 1.00 0.00 H new ATOM 0 HB ILE A 24 8.008 0.606 8.333 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.325 0.584 5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.978 -0.150 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.374 0.593 6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.397 2.158 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.195 1.991 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.917 -1.827 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.044 -1.678 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.380 -0.933 5.688 1.00 0.00 H new ATOM 341 N ARG A 25 8.462 4.641 8.095 1.00 0.00 N ATOM 342 CA ARG A 25 7.704 5.721 8.715 1.00 0.00 C ATOM 343 C ARG A 25 6.319 5.844 8.086 1.00 0.00 C ATOM 344 O ARG A 25 6.181 6.280 6.943 1.00 0.00 O ATOM 345 CB ARG A 25 8.457 7.045 8.579 1.00 0.00 C ATOM 346 CG ARG A 25 9.954 6.921 8.812 1.00 0.00 C ATOM 347 CD ARG A 25 10.306 7.098 10.281 1.00 0.00 C ATOM 348 NE ARG A 25 10.010 8.447 10.756 1.00 0.00 N ATOM 349 CZ ARG A 25 10.268 8.864 11.990 1.00 0.00 C ATOM 350 NH1 ARG A 25 10.825 8.042 12.869 1.00 0.00 N ATOM 351 NH2 ARG A 25 9.970 10.107 12.347 1.00 0.00 N ATOM 0 H ARG A 25 9.154 4.949 7.412 1.00 0.00 H new ATOM 0 HA ARG A 25 7.584 5.486 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.285 7.450 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.045 7.762 9.289 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.297 5.945 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.479 7.669 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.750 6.374 10.877 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.365 6.886 10.428 1.00 0.00 H new ATOM 0 HE ARG A 25 9.582 9.105 10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.057 7.086 12.598 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.022 8.365 13.816 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.543 10.743 11.673 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.168 10.427 13.295 1.00 0.00 H new ATOM 365 N LEU A 26 5.296 5.456 8.840 1.00 0.00 N ATOM 366 CA LEU A 26 3.921 5.522 8.357 1.00 0.00 C ATOM 367 C LEU A 26 3.167 6.674 9.014 1.00 0.00 C ATOM 368 O LEU A 26 3.228 6.875 10.228 1.00 0.00 O ATOM 369 CB LEU A 26 3.199 4.202 8.631 1.00 0.00 C ATOM 370 CG LEU A 26 3.282 3.149 7.525 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.994 1.764 8.084 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.317 3.483 6.398 1.00 0.00 C ATOM 0 H LEU A 26 5.393 5.092 9.788 1.00 0.00 H new ATOM 0 HA LEU A 26 3.948 5.697 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.606 3.772 9.546 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.148 4.419 8.821 1.00 0.00 H new ATOM 0 HG LEU A 26 4.295 3.152 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.058 1.028 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.725 1.524 8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.993 1.746 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.389 2.723 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.299 3.509 6.786 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.570 4.457 5.979 1.00 0.00 H new ATOM 384 N PRO A 27 2.438 7.448 8.197 1.00 0.00 N ATOM 385 CA PRO A 27 1.656 8.590 8.678 1.00 0.00 C ATOM 386 C PRO A 27 0.450 8.160 9.507 1.00 0.00 C ATOM 387 O PRO A 27 -0.042 7.040 9.369 1.00 0.00 O ATOM 388 CB PRO A 27 1.200 9.277 7.388 1.00 0.00 C ATOM 389 CG PRO A 27 1.199 8.195 6.363 1.00 0.00 C ATOM 390 CD PRO A 27 2.320 7.266 6.740 1.00 0.00 C ATOM 0 HA PRO A 27 2.239 9.233 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.209 9.715 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 27 1.876 10.086 7.110 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.244 7.670 6.351 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.350 8.604 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.090 6.232 6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.246 7.524 6.226 1.00 0.00 H new ATOM 398 N ARG A 28 -0.021 9.057 10.367 1.00 0.00 N ATOM 399 CA ARG A 28 -1.168 8.769 11.219 1.00 0.00 C ATOM 400 C ARG A 28 -2.408 8.473 10.379 1.00 0.00 C ATOM 401 O ARG A 28 -3.327 7.789 10.830 1.00 0.00 O ATOM 402 CB ARG A 28 -1.443 9.947 12.156 1.00 0.00 C ATOM 403 CG ARG A 28 -0.207 10.771 12.477 1.00 0.00 C ATOM 404 CD ARG A 28 -0.365 11.523 13.789 1.00 0.00 C ATOM 405 NE ARG A 28 -1.165 12.735 13.632 1.00 0.00 N ATOM 406 CZ ARG A 28 -1.564 13.489 14.651 1.00 0.00 C ATOM 407 NH1 ARG A 28 -1.239 13.157 15.892 1.00 0.00 N ATOM 408 NH2 ARG A 28 -2.289 14.577 14.428 1.00 0.00 N ATOM 0 H ARG A 28 0.374 9.989 10.492 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.934 7.887 11.815 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.193 10.594 11.702 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.869 9.569 13.085 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.663 10.117 12.534 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.021 11.480 11.670 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.835 10.872 14.526 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.619 11.786 14.177 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.432 13.018 12.689 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.681 12.321 16.067 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.546 13.737 16.672 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.541 14.835 13.474 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.595 15.155 15.211 1.00 0.00 H new ATOM 422 N HIS A 29 -2.426 8.993 9.156 1.00 0.00 N ATOM 423 CA HIS A 29 -3.552 8.784 8.253 1.00 0.00 C ATOM 424 C HIS A 29 -3.473 7.411 7.594 1.00 0.00 C ATOM 425 O HIS A 29 -4.379 7.008 6.864 1.00 0.00 O ATOM 426 CB HIS A 29 -3.583 9.875 7.182 1.00 0.00 C ATOM 427 CG HIS A 29 -2.568 9.679 6.098 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.387 10.388 6.035 1.00 0.00 N ATOM 429 CD2 HIS A 29 -2.563 8.847 5.031 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.700 10.001 4.976 1.00 0.00 C ATOM 431 NE2 HIS A 29 -1.391 9.066 4.349 1.00 0.00 N ATOM 0 H HIS A 29 -1.674 9.562 8.768 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.470 8.834 8.839 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.577 9.907 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.415 10.842 7.655 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -1.090 11.100 6.702 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.337 8.142 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.264 10.384 4.674 1.00 0.00 H new ATOM 440 N LEU A 30 -2.385 6.696 7.857 1.00 0.00 N ATOM 441 CA LEU A 30 -2.187 5.366 7.290 1.00 0.00 C ATOM 442 C LEU A 30 -2.200 4.301 8.381 1.00 0.00 C ATOM 443 O LEU A 30 -2.008 3.116 8.107 1.00 0.00 O ATOM 444 CB LEU A 30 -0.865 5.310 6.522 1.00 0.00 C ATOM 445 CG LEU A 30 -0.883 5.895 5.110 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.500 5.819 4.482 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.904 5.170 4.245 1.00 0.00 C ATOM 0 H LEU A 30 -1.626 7.015 8.459 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.009 5.165 6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.108 5.838 7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.549 4.269 6.458 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.172 6.944 5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.467 6.240 3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.207 6.384 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.819 4.778 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.903 5.600 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.646 4.113 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.895 5.278 4.685 1.00 0.00 H new ATOM 459 N ARG A 31 -2.431 4.730 9.617 1.00 0.00 N ATOM 460 CA ARG A 31 -2.471 3.812 10.749 1.00 0.00 C ATOM 461 C ARG A 31 -3.878 3.256 10.949 1.00 0.00 C ATOM 462 O ARG A 31 -4.113 2.446 11.845 1.00 0.00 O ATOM 463 CB ARG A 31 -2.006 4.520 12.023 1.00 0.00 C ATOM 464 CG ARG A 31 -0.566 5.001 11.962 1.00 0.00 C ATOM 465 CD ARG A 31 -0.150 5.681 13.257 1.00 0.00 C ATOM 466 NE ARG A 31 0.402 4.732 14.221 1.00 0.00 N ATOM 467 CZ ARG A 31 0.410 4.938 15.533 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.101 6.053 16.036 1.00 0.00 N ATOM 469 NH2 ARG A 31 0.931 4.027 16.345 1.00 0.00 N ATOM 0 H ARG A 31 -2.593 5.707 9.860 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.798 2.982 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.657 5.373 12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.117 3.840 12.868 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.093 4.155 11.766 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.448 5.696 11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.591 6.450 13.041 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.012 6.183 13.696 1.00 0.00 H new ATOM 0 HE ARG A 31 0.803 3.864 13.867 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.502 6.756 15.415 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.093 6.208 17.044 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.326 3.168 15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.937 4.186 17.353 1.00 0.00 H new ATOM 483 N GLN A 32 -4.808 3.696 10.107 1.00 0.00 N ATOM 484 CA GLN A 32 -6.191 3.242 10.192 1.00 0.00 C ATOM 485 C GLN A 32 -6.722 2.855 8.815 1.00 0.00 C ATOM 486 O GLN A 32 -6.871 1.673 8.504 1.00 0.00 O ATOM 487 CB GLN A 32 -7.071 4.333 10.804 1.00 0.00 C ATOM 488 CG GLN A 32 -6.491 5.731 10.666 1.00 0.00 C ATOM 489 CD GLN A 32 -7.198 6.746 11.543 1.00 0.00 C ATOM 490 OE1 GLN A 32 -6.744 7.056 12.644 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.318 7.269 11.058 1.00 0.00 N ATOM 0 H GLN A 32 -4.629 4.366 9.359 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.220 2.361 10.833 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.051 4.307 10.328 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.224 4.115 11.861 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.432 5.708 10.925 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.558 6.047 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.659 6.983 10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.838 7.957 11.603 1.00 0.00 H new ATOM 500 N THR A 33 -7.008 3.860 7.993 1.00 0.00 N ATOM 501 CA THR A 33 -7.525 3.626 6.651 1.00 0.00 C ATOM 502 C THR A 33 -7.458 4.894 5.807 1.00 0.00 C ATOM 503 O THR A 33 -7.651 5.999 6.313 1.00 0.00 O ATOM 504 CB THR A 33 -8.981 3.125 6.689 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.053 1.883 7.398 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.528 2.943 5.281 1.00 0.00 C ATOM 0 H THR A 33 -6.890 4.844 8.234 1.00 0.00 H new ATOM 0 HA THR A 33 -6.896 2.859 6.200 1.00 0.00 H new ATOM 0 HB THR A 33 -9.586 3.872 7.203 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.152 1.512 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.557 2.589 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.499 3.896 4.753 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.920 2.213 4.746 1.00 0.00 H new ATOM 514 N TYR A 34 -7.183 4.727 4.518 1.00 0.00 N ATOM 515 CA TYR A 34 -7.089 5.859 3.604 1.00 0.00 C ATOM 516 C TYR A 34 -8.387 6.038 2.823 1.00 0.00 C ATOM 517 O TYR A 34 -8.667 5.294 1.883 1.00 0.00 O ATOM 518 CB TYR A 34 -5.921 5.663 2.635 1.00 0.00 C ATOM 519 CG TYR A 34 -5.359 6.959 2.095 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.023 8.002 2.949 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.165 7.139 0.731 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.510 9.188 2.460 1.00 0.00 C ATOM 523 CE2 TYR A 34 -4.650 8.321 0.234 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.325 9.342 1.102 1.00 0.00 C ATOM 525 OH TYR A 34 -3.814 10.521 0.609 1.00 0.00 O ATOM 0 H TYR A 34 -7.021 3.819 4.083 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.915 6.758 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.127 5.116 3.142 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.252 5.044 1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.165 7.884 4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.421 6.342 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.255 9.990 3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.503 8.445 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.064 10.327 0.009 1.00 0.00 H new ATOM 535 N ILE A 35 -9.176 7.031 3.220 1.00 0.00 N ATOM 536 CA ILE A 35 -10.444 7.310 2.558 1.00 0.00 C ATOM 537 C ILE A 35 -10.245 8.221 1.351 1.00 0.00 C ATOM 538 O ILE A 35 -9.677 9.307 1.467 1.00 0.00 O ATOM 539 CB ILE A 35 -11.450 7.967 3.522 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.436 7.251 4.874 1.00 0.00 C ATOM 541 CG2 ILE A 35 -12.848 7.948 2.921 1.00 0.00 C ATOM 542 CD1 ILE A 35 -11.827 5.792 4.790 1.00 0.00 C ATOM 0 H ILE A 35 -8.959 7.656 3.997 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.844 6.352 2.226 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.157 9.005 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.438 7.327 5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.117 7.763 5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.548 8.416 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.847 8.498 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.152 6.917 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.795 5.349 5.785 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.837 5.708 4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.131 5.266 4.136 1.00 0.00 H new ATOM 554 N ARG A 36 -10.718 7.772 0.193 1.00 0.00 N ATOM 555 CA ARG A 36 -10.592 8.546 -1.035 1.00 0.00 C ATOM 556 C ARG A 36 -11.774 8.286 -1.965 1.00 0.00 C ATOM 557 O ARG A 36 -12.462 7.272 -1.844 1.00 0.00 O ATOM 558 CB ARG A 36 -9.283 8.203 -1.748 1.00 0.00 C ATOM 559 CG ARG A 36 -8.103 9.046 -1.294 1.00 0.00 C ATOM 560 CD ARG A 36 -7.965 10.308 -2.132 1.00 0.00 C ATOM 561 NE ARG A 36 -8.838 11.378 -1.657 1.00 0.00 N ATOM 562 CZ ARG A 36 -8.621 12.063 -0.539 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.564 11.790 0.214 1.00 0.00 N ATOM 564 NH2 ARG A 36 -9.461 13.022 -0.173 1.00 0.00 N ATOM 0 H ARG A 36 -11.192 6.876 0.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.586 9.603 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.053 7.151 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.419 8.332 -2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.229 9.316 -0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.187 8.459 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.929 10.648 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.202 10.081 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.660 11.613 -2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.916 11.053 -0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.399 12.317 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.275 13.235 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.293 13.547 0.685 1.00 0.00 H new ATOM 578 N LYS A 37 -12.004 9.208 -2.894 1.00 0.00 N ATOM 579 CA LYS A 37 -13.101 9.080 -3.845 1.00 0.00 C ATOM 580 C LYS A 37 -12.624 8.433 -5.142 1.00 0.00 C ATOM 581 O LYS A 37 -11.483 8.628 -5.561 1.00 0.00 O ATOM 582 CB LYS A 37 -13.710 10.452 -4.142 1.00 0.00 C ATOM 583 CG LYS A 37 -14.738 10.896 -3.116 1.00 0.00 C ATOM 584 CD LYS A 37 -15.700 11.919 -3.697 1.00 0.00 C ATOM 585 CE LYS A 37 -15.137 13.329 -3.605 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.977 14.311 -4.345 1.00 0.00 N ATOM 0 H LYS A 37 -11.444 10.053 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.862 8.441 -3.398 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.911 11.192 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.178 10.427 -5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.297 10.030 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.230 11.323 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.906 11.676 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.650 11.870 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.069 13.625 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.124 13.342 -4.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.650 15.276 -4.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.899 14.134 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.969 14.210 -4.051 1.00 0.00 H new ATOM 600 N VAL A 38 -13.505 7.663 -5.773 1.00 0.00 N ATOM 601 CA VAL A 38 -13.174 6.989 -7.023 1.00 0.00 C ATOM 602 C VAL A 38 -12.835 7.996 -8.116 1.00 0.00 C ATOM 603 O VAL A 38 -13.242 9.155 -8.056 1.00 0.00 O ATOM 604 CB VAL A 38 -14.334 6.097 -7.504 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.790 5.167 -6.389 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.490 6.950 -8.003 1.00 0.00 C ATOM 0 H VAL A 38 -14.453 7.490 -5.439 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.303 6.364 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.979 5.485 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.610 4.544 -6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.959 4.532 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.128 5.758 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.301 6.303 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.846 7.589 -7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.153 7.570 -8.833 1.00 0.00 H new ATOM 616 N GLY A 39 -12.086 7.544 -9.118 1.00 0.00 N ATOM 617 CA GLY A 39 -11.704 8.418 -10.212 1.00 0.00 C ATOM 618 C GLY A 39 -10.541 9.322 -9.853 1.00 0.00 C ATOM 619 O GLY A 39 -9.562 9.406 -10.593 1.00 0.00 O ATOM 0 H GLY A 39 -11.737 6.588 -9.191 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.437 7.814 -11.079 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.559 9.029 -10.501 1.00 0.00 H new ATOM 623 N GLU A 40 -10.650 10.000 -8.715 1.00 0.00 N ATOM 624 CA GLU A 40 -9.600 10.904 -8.262 1.00 0.00 C ATOM 625 C GLU A 40 -8.259 10.181 -8.177 1.00 0.00 C ATOM 626 O GLU A 40 -8.195 9.013 -7.795 1.00 0.00 O ATOM 627 CB GLU A 40 -9.959 11.497 -6.898 1.00 0.00 C ATOM 628 CG GLU A 40 -10.782 12.771 -6.986 1.00 0.00 C ATOM 629 CD GLU A 40 -9.932 13.997 -7.259 1.00 0.00 C ATOM 630 OE1 GLU A 40 -8.755 14.007 -6.845 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.446 14.946 -7.888 1.00 0.00 O ATOM 0 H GLU A 40 -11.454 9.940 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.513 11.711 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.514 10.755 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.041 11.705 -6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.525 12.665 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.327 12.912 -6.053 1.00 0.00 H new ATOM 638 N GLN A 41 -7.190 10.885 -8.536 1.00 0.00 N ATOM 639 CA GLN A 41 -5.850 10.309 -8.502 1.00 0.00 C ATOM 640 C GLN A 41 -5.413 10.035 -7.067 1.00 0.00 C ATOM 641 O GLN A 41 -5.547 10.890 -6.191 1.00 0.00 O ATOM 642 CB GLN A 41 -4.852 11.248 -9.181 1.00 0.00 C ATOM 643 CG GLN A 41 -4.956 11.253 -10.698 1.00 0.00 C ATOM 644 CD GLN A 41 -4.507 12.565 -11.310 1.00 0.00 C ATOM 645 OE1 GLN A 41 -4.028 13.458 -10.610 1.00 0.00 O ATOM 646 NE2 GLN A 41 -4.659 12.689 -12.623 1.00 0.00 N ATOM 0 H GLN A 41 -7.225 11.854 -8.853 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.874 9.363 -9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.010 12.261 -8.811 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.841 10.958 -8.895 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.350 10.442 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.988 11.056 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.061 11.923 -13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.374 13.550 -13.090 1.00 0.00 H new ATOM 655 N LEU A 42 -4.889 8.836 -6.833 1.00 0.00 N ATOM 656 CA LEU A 42 -4.431 8.448 -5.503 1.00 0.00 C ATOM 657 C LEU A 42 -2.958 8.795 -5.312 1.00 0.00 C ATOM 658 O LEU A 42 -2.176 8.772 -6.261 1.00 0.00 O ATOM 659 CB LEU A 42 -4.647 6.949 -5.286 1.00 0.00 C ATOM 660 CG LEU A 42 -6.079 6.515 -4.975 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.243 5.019 -5.194 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.453 6.892 -3.548 1.00 0.00 C ATOM 0 H LEU A 42 -4.771 8.117 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.014 9.003 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.315 6.421 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.005 6.625 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.752 7.037 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.269 4.728 -4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.018 4.776 -6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.560 4.478 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.476 6.575 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.775 6.399 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.376 7.972 -3.425 1.00 0.00 H new ATOM 674 N ASN A 43 -2.586 9.113 -4.076 1.00 0.00 N ATOM 675 CA ASN A 43 -1.207 9.463 -3.759 1.00 0.00 C ATOM 676 C ASN A 43 -0.841 9.012 -2.348 1.00 0.00 C ATOM 677 O ASN A 43 -1.331 9.564 -1.362 1.00 0.00 O ATOM 678 CB ASN A 43 -0.997 10.972 -3.894 1.00 0.00 C ATOM 679 CG ASN A 43 0.463 11.366 -3.784 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.135 11.589 -4.791 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.961 11.452 -2.556 1.00 0.00 N ATOM 0 H ASN A 43 -3.221 9.135 -3.278 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.557 8.948 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.389 11.306 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.568 11.486 -3.121 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.938 11.712 -2.419 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.367 11.258 -1.750 1.00 0.00 H new ATOM 688 N LEU A 44 0.022 8.006 -2.259 1.00 0.00 N ATOM 689 CA LEU A 44 0.454 7.481 -0.969 1.00 0.00 C ATOM 690 C LEU A 44 1.975 7.500 -0.855 1.00 0.00 C ATOM 691 O LEU A 44 2.660 6.625 -1.385 1.00 0.00 O ATOM 692 CB LEU A 44 -0.064 6.055 -0.777 1.00 0.00 C ATOM 693 CG LEU A 44 -1.568 5.914 -0.538 1.00 0.00 C ATOM 694 CD1 LEU A 44 -2.001 4.465 -0.699 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.940 6.434 0.843 1.00 0.00 C ATOM 0 H LEU A 44 0.436 7.538 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 44 0.041 8.120 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.200 5.472 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.461 5.610 0.068 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.092 6.513 -1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.074 4.384 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.771 4.127 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.469 3.844 0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.014 6.326 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.406 5.863 1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.667 7.486 0.921 1.00 0.00 H new ATOM 707 N VAL A 45 2.499 8.504 -0.158 1.00 0.00 N ATOM 708 CA VAL A 45 3.939 8.636 0.029 1.00 0.00 C ATOM 709 C VAL A 45 4.358 8.165 1.417 1.00 0.00 C ATOM 710 O VAL A 45 4.043 8.802 2.422 1.00 0.00 O ATOM 711 CB VAL A 45 4.399 10.093 -0.167 1.00 0.00 C ATOM 712 CG1 VAL A 45 3.912 10.966 0.979 1.00 0.00 C ATOM 713 CG2 VAL A 45 5.913 10.160 -0.294 1.00 0.00 C ATOM 0 H VAL A 45 1.947 9.238 0.286 1.00 0.00 H new ATOM 0 HA VAL A 45 4.415 8.008 -0.724 1.00 0.00 H new ATOM 0 HB VAL A 45 3.963 10.473 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.247 11.992 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.823 10.942 1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.317 10.591 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.221 11.196 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.372 9.762 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.233 9.569 -1.152 1.00 0.00 H new ATOM 723 N VAL A 46 5.072 7.044 1.465 1.00 0.00 N ATOM 724 CA VAL A 46 5.536 6.488 2.730 1.00 0.00 C ATOM 725 C VAL A 46 7.054 6.576 2.844 1.00 0.00 C ATOM 726 O VAL A 46 7.793 5.779 2.265 1.00 0.00 O ATOM 727 CB VAL A 46 5.105 5.017 2.888 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.113 4.614 4.355 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.732 4.796 2.273 1.00 0.00 C ATOM 0 H VAL A 46 5.341 6.504 0.643 1.00 0.00 H new ATOM 0 HA VAL A 46 5.079 7.080 3.523 1.00 0.00 H new ATOM 0 HB VAL A 46 5.820 4.387 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.806 3.572 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.118 4.734 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.421 5.247 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.443 3.752 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.003 5.434 2.772 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.765 5.043 1.212 1.00 0.00 H new ATOM 739 N PRO A 47 7.533 7.567 3.610 1.00 0.00 N ATOM 740 CA PRO A 47 8.968 7.783 3.820 1.00 0.00 C ATOM 741 C PRO A 47 9.600 6.688 4.672 1.00 0.00 C ATOM 742 O PRO A 47 8.983 6.183 5.610 1.00 0.00 O ATOM 743 CB PRO A 47 9.021 9.127 4.551 1.00 0.00 C ATOM 744 CG PRO A 47 7.700 9.241 5.231 1.00 0.00 C ATOM 745 CD PRO A 47 6.711 8.554 4.331 1.00 0.00 C ATOM 0 HA PRO A 47 9.524 7.770 2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.840 9.155 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.180 9.950 3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.725 8.771 6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.429 10.286 5.384 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.915 8.074 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.235 9.256 3.647 1.00 0.00 H new ATOM 753 N PHE A 48 10.834 6.324 4.339 1.00 0.00 N ATOM 754 CA PHE A 48 11.551 5.288 5.074 1.00 0.00 C ATOM 755 C PHE A 48 13.039 5.612 5.160 1.00 0.00 C ATOM 756 O PHE A 48 13.597 6.254 4.271 1.00 0.00 O ATOM 757 CB PHE A 48 11.352 3.928 4.402 1.00 0.00 C ATOM 758 CG PHE A 48 11.786 3.899 2.965 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.122 3.739 2.634 1.00 0.00 C ATOM 760 CD2 PHE A 48 10.859 4.033 1.944 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.525 3.713 1.312 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.256 4.007 0.620 1.00 0.00 C ATOM 763 CZ PHE A 48 12.590 3.847 0.304 1.00 0.00 C ATOM 0 H PHE A 48 11.359 6.731 3.565 1.00 0.00 H new ATOM 0 HA PHE A 48 11.147 5.249 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.909 3.173 4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.299 3.654 4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.857 3.633 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.814 4.159 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.570 3.588 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.523 4.112 -0.166 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.902 3.827 -0.730 1.00 0.00 H new ATOM 773 N GLN A 49 13.674 5.165 6.238 1.00 0.00 N ATOM 774 CA GLN A 49 15.098 5.408 6.442 1.00 0.00 C ATOM 775 C GLN A 49 15.904 4.132 6.228 1.00 0.00 C ATOM 776 O GLN A 49 15.371 3.026 6.315 1.00 0.00 O ATOM 777 CB GLN A 49 15.347 5.954 7.849 1.00 0.00 C ATOM 778 CG GLN A 49 14.777 7.345 8.072 1.00 0.00 C ATOM 779 CD GLN A 49 13.326 7.318 8.512 1.00 0.00 C ATOM 780 OE1 GLN A 49 12.638 6.308 8.360 1.00 0.00 O ATOM 781 NE2 GLN A 49 12.853 8.430 9.062 1.00 0.00 N ATOM 0 H GLN A 49 13.226 4.633 6.984 1.00 0.00 H new ATOM 0 HA GLN A 49 15.423 6.148 5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.910 5.271 8.577 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.421 5.976 8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 49 15.372 7.861 8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.862 7.921 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.459 9.244 9.169 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.884 8.470 9.378 1.00 0.00 H new ATOM 790 N GLY A 50 17.194 4.292 5.948 1.00 0.00 N ATOM 791 CA GLY A 50 18.054 3.144 5.725 1.00 0.00 C ATOM 792 C GLY A 50 19.239 3.471 4.839 1.00 0.00 C ATOM 793 O GLY A 50 19.201 4.427 4.065 1.00 0.00 O ATOM 0 H GLY A 50 17.659 5.197 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.413 2.771 6.684 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.473 2.342 5.269 1.00 0.00 H new ATOM 797 N LYS A 51 20.298 2.675 4.953 1.00 0.00 N ATOM 798 CA LYS A 51 21.501 2.884 4.157 1.00 0.00 C ATOM 799 C LYS A 51 22.326 1.603 4.072 1.00 0.00 C ATOM 800 O LYS A 51 22.178 0.686 4.880 1.00 0.00 O ATOM 801 CB LYS A 51 22.347 4.009 4.758 1.00 0.00 C ATOM 802 CG LYS A 51 22.017 5.382 4.200 1.00 0.00 C ATOM 803 CD LYS A 51 23.163 6.358 4.407 1.00 0.00 C ATOM 804 CE LYS A 51 22.694 7.801 4.293 1.00 0.00 C ATOM 805 NZ LYS A 51 22.588 8.238 2.873 1.00 0.00 N ATOM 0 H LYS A 51 20.347 1.879 5.589 1.00 0.00 H new ATOM 0 HA LYS A 51 21.195 3.167 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.205 4.021 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.401 3.796 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.796 5.300 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.119 5.766 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 51 23.608 6.195 5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.942 6.168 3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.724 7.907 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 23.389 8.452 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.266 9.226 2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 23.519 8.160 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.905 7.633 2.374 1.00 0.00 H new ATOM 819 N PRO A 52 23.216 1.537 3.071 1.00 0.00 N ATOM 820 CA PRO A 52 23.401 2.622 2.103 1.00 0.00 C ATOM 821 C PRO A 52 22.209 2.769 1.163 1.00 0.00 C ATOM 822 O PRO A 52 21.688 3.868 0.972 1.00 0.00 O ATOM 823 CB PRO A 52 24.647 2.194 1.323 1.00 0.00 C ATOM 824 CG PRO A 52 24.683 0.710 1.452 1.00 0.00 C ATOM 825 CD PRO A 52 24.112 0.398 2.808 1.00 0.00 C ATOM 0 HA PRO A 52 23.500 3.591 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.585 2.499 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.548 2.649 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 52 24.098 0.236 0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.703 0.335 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.570 -0.548 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.893 0.318 3.564 1.00 0.00 H new ATOM 833 N ARG A 53 21.782 1.654 0.578 1.00 0.00 N ATOM 834 CA ARG A 53 20.651 1.660 -0.343 1.00 0.00 C ATOM 835 C ARG A 53 19.650 0.566 0.019 1.00 0.00 C ATOM 836 O ARG A 53 19.769 -0.583 -0.406 1.00 0.00 O ATOM 837 CB ARG A 53 21.136 1.468 -1.780 1.00 0.00 C ATOM 838 CG ARG A 53 20.207 2.068 -2.822 1.00 0.00 C ATOM 839 CD ARG A 53 20.546 1.577 -4.221 1.00 0.00 C ATOM 840 NE ARG A 53 19.842 0.341 -4.553 1.00 0.00 N ATOM 841 CZ ARG A 53 20.084 -0.371 -5.648 1.00 0.00 C ATOM 842 NH1 ARG A 53 21.006 0.029 -6.513 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.402 -1.485 -5.880 1.00 0.00 N ATOM 0 H ARG A 53 22.202 0.736 0.725 1.00 0.00 H new ATOM 0 HA ARG A 53 20.152 2.626 -0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.123 1.918 -1.884 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.249 0.402 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.176 1.808 -2.584 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.277 3.155 -2.790 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.288 2.347 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.621 1.414 -4.297 1.00 0.00 H new ATOM 0 HE ARG A 53 19.125 0.006 -3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.532 0.886 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.190 -0.520 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.691 -1.795 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.588 -2.031 -6.721 1.00 0.00 H new ATOM 857 N PRO A 54 18.640 0.930 0.822 1.00 0.00 N ATOM 858 CA PRO A 54 17.599 -0.005 1.258 1.00 0.00 C ATOM 859 C PRO A 54 16.674 -0.416 0.118 1.00 0.00 C ATOM 860 O PRO A 54 16.327 0.400 -0.736 1.00 0.00 O ATOM 861 CB PRO A 54 16.826 0.791 2.314 1.00 0.00 C ATOM 862 CG PRO A 54 17.052 2.218 1.952 1.00 0.00 C ATOM 863 CD PRO A 54 18.435 2.283 1.366 1.00 0.00 C ATOM 0 HA PRO A 54 18.020 -0.938 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.765 0.542 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.190 0.575 3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.307 2.561 1.234 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.969 2.861 2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.506 3.044 0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.180 2.529 2.122 1.00 0.00 H new ATOM 871 N GLN A 55 16.278 -1.684 0.111 1.00 0.00 N ATOM 872 CA GLN A 55 15.393 -2.202 -0.925 1.00 0.00 C ATOM 873 C GLN A 55 13.930 -2.024 -0.531 1.00 0.00 C ATOM 874 O GLN A 55 13.576 -2.129 0.643 1.00 0.00 O ATOM 875 CB GLN A 55 15.687 -3.681 -1.185 1.00 0.00 C ATOM 876 CG GLN A 55 15.189 -4.172 -2.535 1.00 0.00 C ATOM 877 CD GLN A 55 15.979 -3.596 -3.693 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.843 -2.739 -3.505 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.687 -4.065 -4.901 1.00 0.00 N ATOM 0 H GLN A 55 16.556 -2.372 0.811 1.00 0.00 H new ATOM 0 HA GLN A 55 15.576 -1.637 -1.839 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.763 -3.846 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.227 -4.278 -0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.248 -5.260 -2.566 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.138 -3.906 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.963 -4.775 -5.011 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.186 -3.715 -5.718 1.00 0.00 H new ATOM 888 N VAL A 56 13.084 -1.753 -1.521 1.00 0.00 N ATOM 889 CA VAL A 56 11.660 -1.561 -1.277 1.00 0.00 C ATOM 890 C VAL A 56 10.842 -2.705 -1.867 1.00 0.00 C ATOM 891 O VAL A 56 11.263 -3.354 -2.825 1.00 0.00 O ATOM 892 CB VAL A 56 11.163 -0.230 -1.872 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.650 -0.124 -1.756 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.843 0.946 -1.187 1.00 0.00 C ATOM 0 H VAL A 56 13.361 -1.662 -2.498 1.00 0.00 H new ATOM 0 HA VAL A 56 11.524 -1.541 -0.196 1.00 0.00 H new ATOM 0 HB VAL A 56 11.424 -0.205 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.318 0.823 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.185 -0.948 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.361 -0.171 -0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.480 1.878 -1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.615 0.928 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.921 0.876 -1.329 1.00 0.00 H new ATOM 904 N VAL A 57 9.670 -2.947 -1.288 1.00 0.00 N ATOM 905 CA VAL A 57 8.792 -4.012 -1.757 1.00 0.00 C ATOM 906 C VAL A 57 7.337 -3.557 -1.774 1.00 0.00 C ATOM 907 O VAL A 57 6.815 -3.077 -0.768 1.00 0.00 O ATOM 908 CB VAL A 57 8.915 -5.270 -0.877 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.005 -6.374 -1.392 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.360 -5.741 -0.820 1.00 0.00 C ATOM 0 H VAL A 57 9.307 -2.420 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 57 9.105 -4.256 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 57 8.600 -5.016 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.106 -7.254 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.971 -6.031 -1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.285 -6.629 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.428 -6.631 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.705 -5.978 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.983 -4.952 -0.399 1.00 0.00 H new ATOM 920 N TRP A 58 6.688 -3.712 -2.922 1.00 0.00 N ATOM 921 CA TRP A 58 5.292 -3.317 -3.070 1.00 0.00 C ATOM 922 C TRP A 58 4.436 -4.497 -3.518 1.00 0.00 C ATOM 923 O TRP A 58 4.657 -5.067 -4.587 1.00 0.00 O ATOM 924 CB TRP A 58 5.168 -2.171 -4.076 1.00 0.00 C ATOM 925 CG TRP A 58 5.343 -0.817 -3.458 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.405 0.026 -3.619 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.429 -0.151 -2.580 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.207 1.176 -2.893 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.001 1.092 -2.248 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.182 -0.483 -2.044 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.369 2.001 -1.403 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.556 0.420 -1.206 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.149 1.650 -0.893 1.00 0.00 C ATOM 0 H TRP A 58 7.106 -4.108 -3.764 1.00 0.00 H new ATOM 0 HA TRP A 58 4.932 -2.979 -2.098 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.913 -2.303 -4.861 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.190 -2.221 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.273 -0.181 -4.227 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.853 1.964 -2.843 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.716 -1.428 -2.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.826 2.949 -1.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.593 0.173 -0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.633 2.335 -0.236 1.00 0.00 H new ATOM 944 N THR A 59 3.459 -4.861 -2.693 1.00 0.00 N ATOM 945 CA THR A 59 2.571 -5.974 -3.004 1.00 0.00 C ATOM 946 C THR A 59 1.184 -5.752 -2.413 1.00 0.00 C ATOM 947 O THR A 59 1.044 -5.416 -1.237 1.00 0.00 O ATOM 948 CB THR A 59 3.135 -7.306 -2.476 1.00 0.00 C ATOM 949 OG1 THR A 59 3.506 -7.170 -1.100 1.00 0.00 O ATOM 950 CG2 THR A 59 4.342 -7.744 -3.291 1.00 0.00 C ATOM 0 H THR A 59 3.263 -4.401 -1.804 1.00 0.00 H new ATOM 0 HA THR A 59 2.496 -6.025 -4.090 1.00 0.00 H new ATOM 0 HB THR A 59 2.359 -8.066 -2.569 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.862 -8.022 -0.771 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.723 -8.687 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.049 -7.876 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.120 -6.984 -3.226 1.00 0.00 H new ATOM 958 N LYS A 60 0.158 -5.943 -3.236 1.00 0.00 N ATOM 959 CA LYS A 60 -1.221 -5.767 -2.795 1.00 0.00 C ATOM 960 C LYS A 60 -1.852 -7.107 -2.433 1.00 0.00 C ATOM 961 O LYS A 60 -2.519 -7.733 -3.255 1.00 0.00 O ATOM 962 CB LYS A 60 -2.044 -5.082 -3.889 1.00 0.00 C ATOM 963 CG LYS A 60 -3.498 -4.865 -3.509 1.00 0.00 C ATOM 964 CD LYS A 60 -4.179 -3.883 -4.448 1.00 0.00 C ATOM 965 CE LYS A 60 -5.626 -3.640 -4.046 1.00 0.00 C ATOM 966 NZ LYS A 60 -6.492 -4.812 -4.353 1.00 0.00 N ATOM 0 H LYS A 60 0.256 -6.220 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.214 -5.137 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.591 -4.119 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.000 -5.685 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.027 -5.818 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.556 -4.492 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.636 -2.938 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.143 -4.268 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.675 -3.422 -2.979 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.005 -2.762 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.473 -4.600 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.453 -5.015 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.156 -5.641 -3.822 1.00 0.00 H new ATOM 980 N GLY A 61 -1.638 -7.541 -1.194 1.00 0.00 N ATOM 981 CA GLY A 61 -2.194 -8.804 -0.745 1.00 0.00 C ATOM 982 C GLY A 61 -1.443 -9.999 -1.298 1.00 0.00 C ATOM 983 O GLY A 61 -2.037 -10.887 -1.907 1.00 0.00 O ATOM 0 H GLY A 61 -1.090 -7.041 -0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.174 -8.839 0.344 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.240 -8.865 -1.047 1.00 0.00 H new ATOM 987 N GLY A 62 -0.130 -10.020 -1.088 1.00 0.00 N ATOM 988 CA GLY A 62 0.682 -11.118 -1.578 1.00 0.00 C ATOM 989 C GLY A 62 0.697 -11.197 -3.092 1.00 0.00 C ATOM 990 O GLY A 62 0.616 -12.284 -3.664 1.00 0.00 O ATOM 0 H GLY A 62 0.385 -9.296 -0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.703 -11.002 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.303 -12.056 -1.172 1.00 0.00 H new ATOM 994 N ALA A 63 0.798 -10.043 -3.743 1.00 0.00 N ATOM 995 CA ALA A 63 0.823 -9.986 -5.199 1.00 0.00 C ATOM 996 C ALA A 63 1.396 -8.661 -5.688 1.00 0.00 C ATOM 997 O ALA A 63 1.206 -7.611 -5.074 1.00 0.00 O ATOM 998 CB ALA A 63 -0.576 -10.197 -5.759 1.00 0.00 C ATOM 0 H ALA A 63 0.864 -9.134 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 63 1.471 -10.786 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.543 -10.152 -6.848 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.949 -11.173 -5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.239 -9.418 -5.384 1.00 0.00 H new ATOM 1004 N PRO A 64 2.117 -8.707 -6.818 1.00 0.00 N ATOM 1005 CA PRO A 64 2.733 -7.518 -7.414 1.00 0.00 C ATOM 1006 C PRO A 64 1.700 -6.559 -7.996 1.00 0.00 C ATOM 1007 O PRO A 64 0.495 -6.799 -7.905 1.00 0.00 O ATOM 1008 CB PRO A 64 3.614 -8.094 -8.525 1.00 0.00 C ATOM 1009 CG PRO A 64 2.977 -9.394 -8.878 1.00 0.00 C ATOM 1010 CD PRO A 64 2.384 -9.925 -7.602 1.00 0.00 C ATOM 0 HA PRO A 64 3.282 -6.931 -6.677 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.653 -7.426 -9.385 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.640 -8.235 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.208 -9.258 -9.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.710 -10.089 -9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.471 -10.491 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.074 -10.592 -7.085 1.00 0.00 H new ATOM 1018 N LEU A 65 2.178 -5.474 -8.594 1.00 0.00 N ATOM 1019 CA LEU A 65 1.295 -4.478 -9.192 1.00 0.00 C ATOM 1020 C LEU A 65 1.392 -4.509 -10.714 1.00 0.00 C ATOM 1021 O LEU A 65 2.212 -5.233 -11.279 1.00 0.00 O ATOM 1022 CB LEU A 65 1.645 -3.082 -8.676 1.00 0.00 C ATOM 1023 CG LEU A 65 1.785 -2.942 -7.159 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.560 -1.682 -6.808 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.415 -2.929 -6.497 1.00 0.00 C ATOM 0 H LEU A 65 3.172 -5.261 -8.678 1.00 0.00 H new ATOM 0 HA LEU A 65 0.271 -4.718 -8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.582 -2.770 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.876 -2.388 -9.015 1.00 0.00 H new ATOM 0 HG LEU A 65 2.341 -3.801 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.649 -1.600 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.555 -1.731 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.033 -0.811 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.533 -2.829 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.165 -2.089 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.106 -3.860 -6.720 1.00 0.00 H new ATOM 1037 N ASP A 66 0.551 -3.718 -11.371 1.00 0.00 N ATOM 1038 CA ASP A 66 0.543 -3.652 -12.828 1.00 0.00 C ATOM 1039 C ASP A 66 1.063 -2.303 -13.313 1.00 0.00 C ATOM 1040 O ASP A 66 0.284 -1.411 -13.654 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.870 -3.892 -13.363 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.344 -5.313 -13.130 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -1.622 -5.662 -11.964 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.436 -6.076 -14.115 1.00 0.00 O ATOM 0 H ASP A 66 -0.134 -3.113 -10.918 1.00 0.00 H new ATOM 0 HA ASP A 66 1.203 -4.432 -13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.560 -3.199 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.893 -3.675 -14.431 1.00 0.00 H new ATOM 1049 N THR A 67 2.384 -2.158 -13.342 1.00 0.00 N ATOM 1050 CA THR A 67 3.008 -0.917 -13.783 1.00 0.00 C ATOM 1051 C THR A 67 2.264 -0.321 -14.972 1.00 0.00 C ATOM 1052 O THR A 67 2.225 0.898 -15.144 1.00 0.00 O ATOM 1053 CB THR A 67 4.482 -1.137 -14.172 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.565 -2.019 -15.297 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.269 -1.717 -13.006 1.00 0.00 C ATOM 0 H THR A 67 3.043 -2.886 -13.065 1.00 0.00 H new ATOM 0 HA THR A 67 2.961 -0.223 -12.943 1.00 0.00 H new ATOM 0 HB THR A 67 4.914 -0.171 -14.436 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.505 -2.153 -15.539 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.307 -1.864 -13.305 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.228 -1.029 -12.161 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.836 -2.674 -12.715 1.00 0.00 H new ATOM 1063 N SER A 68 1.673 -1.186 -15.790 1.00 0.00 N ATOM 1064 CA SER A 68 0.932 -0.744 -16.965 1.00 0.00 C ATOM 1065 C SER A 68 -0.091 0.325 -16.592 1.00 0.00 C ATOM 1066 O SER A 68 -0.206 1.350 -17.263 1.00 0.00 O ATOM 1067 CB SER A 68 0.229 -1.930 -17.627 1.00 0.00 C ATOM 1068 OG SER A 68 -0.695 -2.535 -16.739 1.00 0.00 O ATOM 0 H SER A 68 1.693 -2.198 -15.660 1.00 0.00 H new ATOM 0 HA SER A 68 1.642 -0.312 -17.670 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.291 -1.594 -18.524 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.969 -2.665 -17.943 1.00 0.00 H new ATOM 0 HG SER A 68 -1.133 -3.289 -17.186 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.831 0.076 -15.517 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.846 1.015 -15.054 1.00 0.00 C ATOM 1076 C ARG A 69 -1.386 1.733 -13.789 1.00 0.00 C ATOM 1077 O ARG A 69 -1.594 2.937 -13.635 1.00 0.00 O ATOM 1078 CB ARG A 69 -3.164 0.285 -14.788 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.671 -0.509 -15.981 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.565 0.336 -16.874 1.00 0.00 C ATOM 1081 NE ARG A 69 -5.364 -0.483 -17.781 1.00 0.00 N ATOM 1082 CZ ARG A 69 -6.122 0.019 -18.750 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -6.182 1.331 -18.937 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -6.820 -0.791 -19.535 1.00 0.00 N ATOM 0 H ARG A 69 -0.747 -0.768 -14.950 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.001 1.758 -15.837 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.032 -0.390 -13.943 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.921 1.014 -14.499 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.824 -0.880 -16.559 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.224 -1.380 -15.631 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -5.227 0.942 -16.255 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.951 1.025 -17.454 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.339 -1.496 -17.664 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -5.645 1.957 -18.336 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.765 1.714 -19.682 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.775 -1.800 -19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.402 -0.404 -20.279 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.759 0.987 -12.886 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.268 1.551 -11.634 1.00 0.00 C ATOM 1100 C VAL A 70 1.093 2.210 -11.825 1.00 0.00 C ATOM 1101 O VAL A 70 1.930 1.723 -12.587 1.00 0.00 O ATOM 1102 CB VAL A 70 -0.157 0.475 -10.538 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.136 1.114 -9.189 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.429 -0.357 -10.478 1.00 0.00 C ATOM 0 H VAL A 70 -0.579 -0.011 -12.998 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.992 2.303 -11.321 1.00 0.00 H new ATOM 0 HB VAL A 70 0.672 -0.187 -10.787 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.211 0.338 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.077 1.662 -9.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.669 1.801 -8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.333 -1.112 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.277 0.290 -10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.590 -0.846 -11.439 1.00 0.00 H new ATOM 1114 N HIS A 71 1.311 3.320 -11.127 1.00 0.00 N ATOM 1115 CA HIS A 71 2.572 4.046 -11.218 1.00 0.00 C ATOM 1116 C HIS A 71 3.204 4.214 -9.840 1.00 0.00 C ATOM 1117 O HIS A 71 2.737 5.008 -9.024 1.00 0.00 O ATOM 1118 CB HIS A 71 2.352 5.416 -11.861 1.00 0.00 C ATOM 1119 CG HIS A 71 3.544 5.925 -12.611 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.801 6.021 -12.051 1.00 0.00 N ATOM 1121 CD2 HIS A 71 3.667 6.365 -13.885 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.644 6.500 -12.948 1.00 0.00 C ATOM 1123 NE2 HIS A 71 4.982 6.717 -14.069 1.00 0.00 N ATOM 0 H HIS A 71 0.630 3.736 -10.492 1.00 0.00 H new ATOM 0 HA HIS A 71 3.252 3.465 -11.842 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.503 5.356 -12.542 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.088 6.134 -11.085 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.878 6.428 -14.620 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.697 6.683 -12.791 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.382 7.086 -14.932 1.00 0.00 H new ATOM 1132 N VAL A 72 4.268 3.459 -9.586 1.00 0.00 N ATOM 1133 CA VAL A 72 4.964 3.524 -8.306 1.00 0.00 C ATOM 1134 C VAL A 72 6.362 4.108 -8.470 1.00 0.00 C ATOM 1135 O VAL A 72 7.203 3.546 -9.172 1.00 0.00 O ATOM 1136 CB VAL A 72 5.074 2.132 -7.656 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.979 2.183 -6.434 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.696 1.606 -7.287 1.00 0.00 C ATOM 0 H VAL A 72 4.667 2.795 -10.250 1.00 0.00 H new ATOM 0 HA VAL A 72 4.376 4.174 -7.658 1.00 0.00 H new ATOM 0 HB VAL A 72 5.518 1.447 -8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.045 1.191 -5.988 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.974 2.514 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.568 2.882 -5.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.793 0.622 -6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.223 2.289 -6.582 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.083 1.530 -8.185 1.00 0.00 H new ATOM 1148 N ARG A 73 6.605 5.240 -7.817 1.00 0.00 N ATOM 1149 CA ARG A 73 7.902 5.902 -7.891 1.00 0.00 C ATOM 1150 C ARG A 73 8.730 5.616 -6.642 1.00 0.00 C ATOM 1151 O ARG A 73 8.557 6.260 -5.607 1.00 0.00 O ATOM 1152 CB ARG A 73 7.719 7.412 -8.059 1.00 0.00 C ATOM 1153 CG ARG A 73 7.227 7.815 -9.440 1.00 0.00 C ATOM 1154 CD ARG A 73 8.375 7.924 -10.431 1.00 0.00 C ATOM 1155 NE ARG A 73 9.286 9.014 -10.095 1.00 0.00 N ATOM 1156 CZ ARG A 73 10.228 9.465 -10.917 1.00 0.00 C ATOM 1157 NH1 ARG A 73 10.381 8.921 -12.116 1.00 0.00 N ATOM 1158 NH2 ARG A 73 11.019 10.461 -10.539 1.00 0.00 N ATOM 0 H ARG A 73 5.921 5.718 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 73 8.434 5.508 -8.757 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.011 7.769 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.669 7.909 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.504 7.082 -9.798 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.707 8.771 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.926 6.984 -10.452 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.975 8.081 -11.433 1.00 0.00 H new ATOM 0 HE ARG A 73 9.195 9.454 -9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.775 8.155 -12.409 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.105 9.269 -12.745 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.904 10.881 -9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.742 10.806 -11.171 1.00 0.00 H new ATOM 1172 N THR A 74 9.631 4.644 -6.745 1.00 0.00 N ATOM 1173 CA THR A 74 10.485 4.271 -5.625 1.00 0.00 C ATOM 1174 C THR A 74 11.836 4.972 -5.705 1.00 0.00 C ATOM 1175 O THR A 74 12.509 4.929 -6.735 1.00 0.00 O ATOM 1176 CB THR A 74 10.713 2.748 -5.575 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.468 2.061 -5.743 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.350 2.339 -4.255 1.00 0.00 C ATOM 0 H THR A 74 9.788 4.101 -7.594 1.00 0.00 H new ATOM 0 HA THR A 74 9.969 4.585 -4.717 1.00 0.00 H new ATOM 0 HB THR A 74 11.389 2.477 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.621 1.094 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.501 1.260 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.311 2.841 -4.144 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.695 2.623 -3.431 1.00 0.00 H new ATOM 1186 N SER A 75 12.228 5.619 -4.612 1.00 0.00 N ATOM 1187 CA SER A 75 13.498 6.333 -4.560 1.00 0.00 C ATOM 1188 C SER A 75 14.282 5.956 -3.307 1.00 0.00 C ATOM 1189 O SER A 75 13.701 5.634 -2.271 1.00 0.00 O ATOM 1190 CB SER A 75 13.259 7.844 -4.591 1.00 0.00 C ATOM 1191 OG SER A 75 14.404 8.550 -4.145 1.00 0.00 O ATOM 0 H SER A 75 11.684 5.663 -3.750 1.00 0.00 H new ATOM 0 HA SER A 75 14.084 6.047 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.008 8.155 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.405 8.094 -3.961 1.00 0.00 H new ATOM 0 HG SER A 75 14.227 9.513 -4.176 1.00 0.00 H new ATOM 1197 N ASP A 76 15.606 6.000 -3.410 1.00 0.00 N ATOM 1198 CA ASP A 76 16.472 5.664 -2.285 1.00 0.00 C ATOM 1199 C ASP A 76 16.078 6.455 -1.041 1.00 0.00 C ATOM 1200 O ASP A 76 16.420 6.079 0.080 1.00 0.00 O ATOM 1201 CB ASP A 76 17.934 5.941 -2.639 1.00 0.00 C ATOM 1202 CG ASP A 76 18.888 5.494 -1.550 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.860 4.298 -1.191 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.663 6.339 -1.055 1.00 0.00 O ATOM 0 H ASP A 76 16.103 6.265 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 76 16.353 4.602 -2.071 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.183 5.429 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.066 7.008 -2.818 1.00 0.00 H new ATOM 1209 N PHE A 77 15.359 7.553 -1.248 1.00 0.00 N ATOM 1210 CA PHE A 77 14.920 8.399 -0.144 1.00 0.00 C ATOM 1211 C PHE A 77 13.582 7.919 0.411 1.00 0.00 C ATOM 1212 O PHE A 77 13.487 7.514 1.570 1.00 0.00 O ATOM 1213 CB PHE A 77 14.803 9.853 -0.603 1.00 0.00 C ATOM 1214 CG PHE A 77 16.129 10.538 -0.770 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.922 10.819 0.331 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.582 10.903 -2.028 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.144 11.448 0.180 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.802 11.532 -2.184 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.583 11.807 -1.079 1.00 0.00 C ATOM 0 H PHE A 77 15.068 7.878 -2.170 1.00 0.00 H new ATOM 0 HA PHE A 77 15.666 8.335 0.649 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.265 9.884 -1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.206 10.407 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.582 10.544 1.318 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.974 10.693 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.754 11.658 1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.145 11.809 -3.170 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.535 12.302 -1.199 1.00 0.00 H new ATOM 1229 N ASP A 78 12.551 7.967 -0.425 1.00 0.00 N ATOM 1230 CA ASP A 78 11.217 7.537 -0.020 1.00 0.00 C ATOM 1231 C ASP A 78 10.445 6.971 -1.207 1.00 0.00 C ATOM 1232 O ASP A 78 10.806 7.198 -2.363 1.00 0.00 O ATOM 1233 CB ASP A 78 10.446 8.706 0.595 1.00 0.00 C ATOM 1234 CG ASP A 78 10.572 9.977 -0.222 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.765 9.875 -1.452 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.476 11.073 0.368 1.00 0.00 O ATOM 0 H ASP A 78 12.613 8.299 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 78 11.327 6.751 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.393 8.437 0.683 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.814 8.889 1.605 1.00 0.00 H new ATOM 1241 N THR A 79 9.380 6.231 -0.916 1.00 0.00 N ATOM 1242 CA THR A 79 8.558 5.630 -1.958 1.00 0.00 C ATOM 1243 C THR A 79 7.285 6.437 -2.188 1.00 0.00 C ATOM 1244 O THR A 79 6.788 7.103 -1.280 1.00 0.00 O ATOM 1245 CB THR A 79 8.176 4.180 -1.607 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.275 3.659 -2.590 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.531 4.108 -0.232 1.00 0.00 C ATOM 0 H THR A 79 9.066 6.033 0.034 1.00 0.00 H new ATOM 0 HA THR A 79 9.155 5.630 -2.870 1.00 0.00 H new ATOM 0 HB THR A 79 9.086 3.581 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.764 3.481 -3.420 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.270 3.074 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.230 4.478 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.630 4.721 -0.220 1.00 0.00 H new ATOM 1255 N VAL A 80 6.760 6.372 -3.408 1.00 0.00 N ATOM 1256 CA VAL A 80 5.543 7.096 -3.756 1.00 0.00 C ATOM 1257 C VAL A 80 4.624 6.240 -4.621 1.00 0.00 C ATOM 1258 O VAL A 80 5.076 5.565 -5.546 1.00 0.00 O ATOM 1259 CB VAL A 80 5.862 8.404 -4.503 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.581 9.141 -4.861 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.778 9.285 -3.667 1.00 0.00 C ATOM 0 H VAL A 80 7.159 5.825 -4.171 1.00 0.00 H new ATOM 0 HA VAL A 80 5.038 7.336 -2.820 1.00 0.00 H new ATOM 0 HB VAL A 80 6.380 8.156 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.827 10.063 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.965 8.510 -5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.032 9.379 -3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.993 10.205 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.289 9.527 -2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.710 8.755 -3.467 1.00 0.00 H new ATOM 1271 N PHE A 81 3.332 6.274 -4.314 1.00 0.00 N ATOM 1272 CA PHE A 81 2.348 5.502 -5.063 1.00 0.00 C ATOM 1273 C PHE A 81 1.315 6.419 -5.712 1.00 0.00 C ATOM 1274 O PHE A 81 0.751 7.297 -5.059 1.00 0.00 O ATOM 1275 CB PHE A 81 1.649 4.498 -4.144 1.00 0.00 C ATOM 1276 CG PHE A 81 0.430 3.871 -4.758 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.801 4.503 -4.687 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.515 2.649 -5.406 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.924 3.928 -5.250 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.605 2.069 -5.971 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.826 2.710 -5.894 1.00 0.00 C ATOM 0 H PHE A 81 2.942 6.828 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 81 2.872 4.960 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.355 3.713 -3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.363 5.001 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.884 5.456 -4.186 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.468 2.144 -5.470 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.878 4.431 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.526 1.116 -6.472 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.702 2.260 -6.336 1.00 0.00 H new ATOM 1291 N PHE A 82 1.073 6.209 -7.001 1.00 0.00 N ATOM 1292 CA PHE A 82 0.109 7.017 -7.740 1.00 0.00 C ATOM 1293 C PHE A 82 -0.809 6.136 -8.581 1.00 0.00 C ATOM 1294 O PHE A 82 -0.429 5.040 -8.994 1.00 0.00 O ATOM 1295 CB PHE A 82 0.836 8.021 -8.638 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.074 8.737 -9.595 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.356 8.197 -10.839 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.647 9.950 -9.250 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.192 8.854 -11.721 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.484 10.612 -10.128 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.758 10.063 -11.365 1.00 0.00 C ATOM 0 H PHE A 82 1.531 5.486 -7.556 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.501 7.560 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.343 8.756 -8.012 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.607 7.498 -9.204 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.083 7.252 -11.123 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.437 10.384 -8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.403 8.423 -12.688 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.923 11.558 -9.847 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.413 10.577 -12.052 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.020 6.622 -8.832 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.993 5.880 -9.625 1.00 0.00 C ATOM 1313 C VAL A 83 -3.807 6.815 -10.511 1.00 0.00 C ATOM 1314 O VAL A 83 -4.548 7.666 -10.018 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.953 5.077 -8.727 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.987 4.346 -9.569 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.176 4.101 -7.856 1.00 0.00 C ATOM 0 H VAL A 83 -2.351 7.527 -8.498 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.430 5.189 -10.252 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.479 5.773 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.656 3.784 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.564 5.069 -10.145 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.483 3.660 -10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.870 3.542 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.622 3.409 -8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.479 4.652 -7.225 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.666 6.651 -11.823 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.388 7.481 -12.779 1.00 0.00 C ATOM 1329 C ARG A 84 -5.793 7.795 -12.274 1.00 0.00 C ATOM 1330 O ARG A 84 -6.106 8.942 -11.955 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.467 6.781 -14.137 1.00 0.00 C ATOM 1332 CG ARG A 84 -4.524 7.740 -15.314 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.738 7.001 -16.626 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.446 7.820 -17.606 1.00 0.00 N ATOM 1335 CZ ARG A 84 -6.096 7.318 -18.650 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -6.129 6.007 -18.848 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -6.716 8.128 -19.499 1.00 0.00 N ATOM 0 H ARG A 84 -3.058 5.951 -12.247 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.843 8.418 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.600 6.130 -14.251 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.350 6.143 -14.156 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.332 8.456 -15.163 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.597 8.311 -15.364 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.773 6.700 -17.034 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.304 6.088 -16.440 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.441 8.832 -17.482 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -5.654 5.381 -18.198 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.629 5.625 -19.651 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.694 9.137 -19.350 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.215 7.742 -20.300 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.635 6.769 -12.205 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.007 6.936 -11.741 1.00 0.00 C ATOM 1353 C GLN A 85 -8.371 5.862 -10.721 1.00 0.00 C ATOM 1354 O GLN A 85 -8.179 4.671 -10.965 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.978 6.885 -12.922 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.032 8.177 -13.721 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.203 8.220 -14.682 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -11.328 8.537 -14.296 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -9.944 7.899 -15.945 1.00 0.00 N ATOM 0 H GLN A 85 -6.391 5.813 -12.465 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.084 7.911 -11.259 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.689 6.069 -13.585 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.977 6.655 -12.551 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.099 9.021 -13.035 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.104 8.293 -14.280 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.996 7.642 -16.222 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.693 7.909 -16.638 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.897 6.291 -9.579 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.290 5.366 -8.523 1.00 0.00 C ATOM 1370 C ALA A 86 -10.549 4.597 -8.907 1.00 0.00 C ATOM 1371 O ALA A 86 -11.297 5.014 -9.792 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.505 6.116 -7.217 1.00 0.00 C ATOM 0 H ALA A 86 -9.061 7.274 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.483 4.646 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.798 5.413 -6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.580 6.614 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.291 6.859 -7.349 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.778 3.472 -8.237 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.948 2.646 -8.508 1.00 0.00 C ATOM 1380 C ALA A 87 -12.204 1.666 -7.368 1.00 0.00 C ATOM 1381 O ALA A 87 -11.269 1.093 -6.808 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.774 1.898 -9.821 1.00 0.00 C ATOM 0 H ALA A 87 -10.168 3.112 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.814 3.302 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.655 1.285 -10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.648 2.614 -10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.893 1.258 -9.761 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.475 1.478 -7.029 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.852 0.568 -5.955 1.00 0.00 C ATOM 1390 C ARG A 88 -12.942 -0.657 -5.934 1.00 0.00 C ATOM 1391 O ARG A 88 -12.683 -1.233 -4.877 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.309 0.130 -6.116 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.300 1.281 -6.064 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.650 0.831 -5.527 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.317 -0.099 -6.434 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.790 0.248 -7.626 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -18.669 1.498 -8.053 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.384 -0.656 -8.395 1.00 0.00 N ATOM 0 H ARG A 88 -14.261 1.944 -7.483 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.741 1.098 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.420 -0.391 -7.067 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.554 -0.585 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.903 2.076 -5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.426 1.700 -7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.514 0.355 -4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.286 1.702 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.426 -1.068 -6.136 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.212 2.196 -7.466 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.033 1.762 -8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.478 -1.619 -8.071 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.747 -0.388 -9.310 1.00 0.00 H new ATOM 1412 N SER A 89 -12.459 -1.049 -7.109 1.00 0.00 N ATOM 1413 CA SER A 89 -11.581 -2.207 -7.227 1.00 0.00 C ATOM 1414 C SER A 89 -10.292 -1.994 -6.438 1.00 0.00 C ATOM 1415 O SER A 89 -9.927 -2.811 -5.593 1.00 0.00 O ATOM 1416 CB SER A 89 -11.254 -2.478 -8.696 1.00 0.00 C ATOM 1417 OG SER A 89 -10.682 -3.764 -8.862 1.00 0.00 O ATOM 0 H SER A 89 -12.661 -0.581 -7.993 1.00 0.00 H new ATOM 0 HA SER A 89 -12.102 -3.070 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 89 -12.162 -2.400 -9.294 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.564 -1.719 -9.064 1.00 0.00 H new ATOM 0 HG SER A 89 -10.484 -3.914 -9.810 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.609 -0.891 -6.721 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.361 -0.568 -6.039 1.00 0.00 C ATOM 1425 C ASP A 90 -8.469 -0.856 -4.544 1.00 0.00 C ATOM 1426 O ASP A 90 -7.515 -1.320 -3.921 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.997 0.900 -6.263 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.399 1.145 -7.635 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.172 1.234 -8.612 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.158 1.248 -7.731 1.00 0.00 O ATOM 0 H ASP A 90 -9.898 -0.205 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.574 -1.196 -6.456 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.889 1.515 -6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.287 1.216 -5.499 1.00 0.00 H new ATOM 1435 N SER A 91 -9.638 -0.576 -3.976 1.00 0.00 N ATOM 1436 CA SER A 91 -9.869 -0.800 -2.554 1.00 0.00 C ATOM 1437 C SER A 91 -9.305 -2.148 -2.117 1.00 0.00 C ATOM 1438 O SER A 91 -9.810 -3.200 -2.507 1.00 0.00 O ATOM 1439 CB SER A 91 -11.366 -0.735 -2.243 1.00 0.00 C ATOM 1440 OG SER A 91 -11.998 -1.972 -2.521 1.00 0.00 O ATOM 0 H SER A 91 -10.439 -0.194 -4.479 1.00 0.00 H new ATOM 0 HA SER A 91 -9.355 -0.015 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.512 -0.476 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.830 0.055 -2.834 1.00 0.00 H new ATOM 0 HG SER A 91 -12.145 -2.055 -3.486 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.254 -2.108 -1.304 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.637 -3.332 -0.827 1.00 0.00 C ATOM 1448 C GLY A 92 -6.665 -3.087 0.309 1.00 0.00 C ATOM 1449 O GLY A 92 -6.830 -2.146 1.083 1.00 0.00 O ATOM 0 H GLY A 92 -7.819 -1.249 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.414 -4.021 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.113 -3.816 -1.651 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.648 -3.938 0.410 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.647 -3.810 1.463 1.00 0.00 C ATOM 1455 C GLU A 93 -3.238 -3.939 0.891 1.00 0.00 C ATOM 1456 O GLU A 93 -2.817 -5.022 0.486 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.871 -4.872 2.542 1.00 0.00 C ATOM 1458 CG GLU A 93 -4.435 -4.430 3.929 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.870 -5.398 5.012 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -6.018 -5.885 4.946 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.063 -5.668 5.926 1.00 0.00 O ATOM 0 H GLU A 93 -5.496 -4.722 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.750 -2.821 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.929 -5.134 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.326 -5.776 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.350 -4.330 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.850 -3.444 4.140 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.514 -2.825 0.862 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.154 -2.812 0.338 1.00 0.00 C ATOM 1470 C TYR A 94 -0.147 -3.167 1.428 1.00 0.00 C ATOM 1471 O TYR A 94 -0.428 -3.025 2.617 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.824 -1.438 -0.248 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.538 -1.147 -1.548 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.914 -1.306 -1.660 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.837 -0.712 -2.666 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.570 -1.043 -2.846 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.484 -0.445 -3.857 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.851 -0.612 -3.942 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.501 -0.347 -5.125 1.00 0.00 O ATOM 0 H TYR A 94 -2.847 -1.920 1.195 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.088 -3.562 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.085 -0.670 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.252 -1.371 -0.411 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.480 -1.641 -0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.233 -0.580 -2.603 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.640 -1.174 -2.916 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.923 -0.108 -4.716 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.163 0.491 -5.503 1.00 0.00 H new ATOM 1489 N GLU A 95 1.028 -3.629 1.011 1.00 0.00 N ATOM 1490 CA GLU A 95 2.077 -4.005 1.951 1.00 0.00 C ATOM 1491 C GLU A 95 3.418 -3.405 1.538 1.00 0.00 C ATOM 1492 O GLU A 95 3.798 -3.450 0.367 1.00 0.00 O ATOM 1493 CB GLU A 95 2.193 -5.529 2.038 1.00 0.00 C ATOM 1494 CG GLU A 95 2.822 -6.019 3.331 1.00 0.00 C ATOM 1495 CD GLU A 95 3.377 -7.425 3.214 1.00 0.00 C ATOM 1496 OE1 GLU A 95 4.425 -7.597 2.557 1.00 0.00 O ATOM 1497 OE2 GLU A 95 2.763 -8.353 3.781 1.00 0.00 O ATOM 0 H GLU A 95 1.277 -3.752 0.029 1.00 0.00 H new ATOM 0 HA GLU A 95 1.809 -3.612 2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.200 -5.967 1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.786 -5.888 1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.623 -5.339 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.077 -5.992 4.126 1.00 0.00 H new ATOM 1504 N LEU A 96 4.131 -2.843 2.508 1.00 0.00 N ATOM 1505 CA LEU A 96 5.430 -2.232 2.247 1.00 0.00 C ATOM 1506 C LEU A 96 6.499 -2.812 3.168 1.00 0.00 C ATOM 1507 O LEU A 96 6.483 -2.581 4.377 1.00 0.00 O ATOM 1508 CB LEU A 96 5.350 -0.716 2.431 1.00 0.00 C ATOM 1509 CG LEU A 96 6.686 0.024 2.497 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.355 0.040 1.132 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.485 1.442 3.012 1.00 0.00 C ATOM 0 H LEU A 96 3.832 -2.798 3.482 1.00 0.00 H new ATOM 0 HA LEU A 96 5.706 -2.452 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.768 -0.301 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.798 -0.510 3.348 1.00 0.00 H new ATOM 0 HG LEU A 96 7.339 -0.504 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.305 0.571 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.534 -0.983 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.707 0.544 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.446 1.954 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.815 1.981 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.050 1.408 4.011 1.00 0.00 H new ATOM 1523 N SER A 97 7.429 -3.564 2.587 1.00 0.00 N ATOM 1524 CA SER A 97 8.505 -4.178 3.356 1.00 0.00 C ATOM 1525 C SER A 97 9.866 -3.820 2.767 1.00 0.00 C ATOM 1526 O SER A 97 10.102 -3.990 1.571 1.00 0.00 O ATOM 1527 CB SER A 97 8.335 -5.698 3.388 1.00 0.00 C ATOM 1528 OG SER A 97 7.001 -6.055 3.706 1.00 0.00 O ATOM 0 H SER A 97 7.459 -3.762 1.587 1.00 0.00 H new ATOM 0 HA SER A 97 8.456 -3.793 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.606 -6.118 2.419 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.015 -6.128 4.123 1.00 0.00 H new ATOM 0 HG SER A 97 6.918 -7.031 3.719 1.00 0.00 H new ATOM 1534 N VAL A 98 10.759 -3.322 3.617 1.00 0.00 N ATOM 1535 CA VAL A 98 12.098 -2.940 3.182 1.00 0.00 C ATOM 1536 C VAL A 98 13.107 -4.044 3.476 1.00 0.00 C ATOM 1537 O VAL A 98 13.379 -4.356 4.635 1.00 0.00 O ATOM 1538 CB VAL A 98 12.561 -1.640 3.867 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.886 -1.173 3.285 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.499 -0.560 3.732 1.00 0.00 C ATOM 0 H VAL A 98 10.580 -3.174 4.610 1.00 0.00 H new ATOM 0 HA VAL A 98 12.047 -2.776 2.106 1.00 0.00 H new ATOM 0 HB VAL A 98 12.709 -1.841 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.197 -0.254 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.642 -1.943 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.769 -0.988 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.843 0.351 4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.317 -0.358 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.575 -0.898 4.201 1.00 0.00 H new ATOM 1550 N GLN A 99 13.658 -4.631 2.419 1.00 0.00 N ATOM 1551 CA GLN A 99 14.638 -5.701 2.565 1.00 0.00 C ATOM 1552 C GLN A 99 16.058 -5.146 2.540 1.00 0.00 C ATOM 1553 O GLN A 99 16.487 -4.555 1.549 1.00 0.00 O ATOM 1554 CB GLN A 99 14.463 -6.736 1.452 1.00 0.00 C ATOM 1555 CG GLN A 99 15.066 -8.092 1.782 1.00 0.00 C ATOM 1556 CD GLN A 99 14.949 -9.077 0.636 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.953 -9.585 0.133 1.00 0.00 O ATOM 1558 NE2 GLN A 99 13.721 -9.354 0.216 1.00 0.00 N ATOM 0 H GLN A 99 13.443 -4.384 1.453 1.00 0.00 H new ATOM 0 HA GLN A 99 14.473 -6.182 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.400 -6.861 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.921 -6.356 0.539 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.117 -7.965 2.041 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.569 -8.502 2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 99 12.918 -8.910 0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.581 -10.010 -0.552 1.00 0.00 H new ATOM 1567 N ILE A 100 16.783 -5.341 3.637 1.00 0.00 N ATOM 1568 CA ILE A 100 18.155 -4.860 3.741 1.00 0.00 C ATOM 1569 C ILE A 100 19.138 -6.021 3.845 1.00 0.00 C ATOM 1570 O ILE A 100 18.758 -7.138 4.194 1.00 0.00 O ATOM 1571 CB ILE A 100 18.338 -3.936 4.959 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.319 -2.795 4.918 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.756 -3.387 5.000 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.683 -1.695 3.946 1.00 0.00 C ATOM 0 H ILE A 100 16.443 -5.829 4.466 1.00 0.00 H new ATOM 0 HA ILE A 100 18.360 -4.294 2.833 1.00 0.00 H new ATOM 0 HB ILE A 100 18.169 -4.517 5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.343 -3.199 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.222 -2.369 5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.869 -2.736 5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.464 -4.213 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.953 -2.819 4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.917 -0.920 3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.644 -1.264 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.751 -2.107 2.939 1.00 0.00 H new ATOM 1586 N GLU A 101 20.403 -5.747 3.542 1.00 0.00 N ATOM 1587 CA GLU A 101 21.441 -6.770 3.603 1.00 0.00 C ATOM 1588 C GLU A 101 21.124 -7.802 4.682 1.00 0.00 C ATOM 1589 O GLU A 101 21.065 -9.001 4.410 1.00 0.00 O ATOM 1590 CB GLU A 101 22.803 -6.130 3.878 1.00 0.00 C ATOM 1591 CG GLU A 101 23.404 -5.434 2.669 1.00 0.00 C ATOM 1592 CD GLU A 101 24.186 -6.381 1.780 1.00 0.00 C ATOM 1593 OE1 GLU A 101 23.624 -7.423 1.382 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.361 -6.080 1.482 1.00 0.00 O ATOM 0 H GLU A 101 20.734 -4.827 3.252 1.00 0.00 H new ATOM 0 HA GLU A 101 21.474 -7.276 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.699 -5.408 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.493 -6.899 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.607 -4.971 2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.061 -4.632 3.005 1.00 0.00 H new ATOM 1601 N ASN A 102 20.923 -7.327 5.906 1.00 0.00 N ATOM 1602 CA ASN A 102 20.614 -8.208 7.027 1.00 0.00 C ATOM 1603 C ASN A 102 19.332 -7.769 7.727 1.00 0.00 C ATOM 1604 O ASN A 102 18.601 -8.591 8.279 1.00 0.00 O ATOM 1605 CB ASN A 102 21.774 -8.224 8.025 1.00 0.00 C ATOM 1606 CG ASN A 102 23.075 -8.677 7.392 1.00 0.00 C ATOM 1607 OD1 ASN A 102 23.547 -8.082 6.423 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.662 -9.735 7.939 1.00 0.00 N ATOM 0 H ASN A 102 20.968 -6.337 6.148 1.00 0.00 H new ATOM 0 HA ASN A 102 20.466 -9.215 6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 102 21.904 -7.226 8.442 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.527 -8.886 8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.540 -10.086 7.557 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.235 -10.197 8.742 1.00 0.00 H new ATOM 1615 N MET A 103 19.065 -6.467 7.699 1.00 0.00 N ATOM 1616 CA MET A 103 17.870 -5.918 8.329 1.00 0.00 C ATOM 1617 C MET A 103 16.668 -6.020 7.396 1.00 0.00 C ATOM 1618 O MET A 103 16.820 -6.208 6.188 1.00 0.00 O ATOM 1619 CB MET A 103 18.101 -4.459 8.725 1.00 0.00 C ATOM 1620 CG MET A 103 19.065 -4.290 9.887 1.00 0.00 C ATOM 1621 SD MET A 103 18.370 -4.850 11.454 1.00 0.00 S ATOM 1622 CE MET A 103 16.999 -3.713 11.642 1.00 0.00 C ATOM 0 H MET A 103 19.660 -5.773 7.247 1.00 0.00 H new ATOM 0 HA MET A 103 17.662 -6.501 9.226 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.485 -3.914 7.863 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.145 -4.007 8.988 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.979 -4.847 9.680 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.344 -3.240 9.973 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.545 -3.849 12.624 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.360 -2.689 11.548 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.256 -3.908 10.869 1.00 0.00 H new ATOM 1632 N LYS A 104 15.472 -5.895 7.962 1.00 0.00 N ATOM 1633 CA LYS A 104 14.243 -5.972 7.181 1.00 0.00 C ATOM 1634 C LYS A 104 13.082 -5.327 7.930 1.00 0.00 C ATOM 1635 O LYS A 104 13.065 -5.296 9.161 1.00 0.00 O ATOM 1636 CB LYS A 104 13.909 -7.430 6.860 1.00 0.00 C ATOM 1637 CG LYS A 104 12.842 -7.588 5.791 1.00 0.00 C ATOM 1638 CD LYS A 104 12.011 -8.841 6.013 1.00 0.00 C ATOM 1639 CE LYS A 104 11.264 -9.246 4.752 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.574 -8.087 4.120 1.00 0.00 N ATOM 0 H LYS A 104 15.328 -5.740 8.960 1.00 0.00 H new ATOM 0 HA LYS A 104 14.399 -5.428 6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.816 -7.939 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.575 -7.927 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.191 -6.714 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.313 -7.632 4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.660 -9.657 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.298 -8.668 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.964 -9.684 4.040 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.532 -10.016 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.670 -8.401 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.395 -7.356 4.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.174 -7.694 3.367 1.00 0.00 H new ATOM 1654 N ASP A 105 12.112 -4.814 7.180 1.00 0.00 N ATOM 1655 CA ASP A 105 10.945 -4.172 7.774 1.00 0.00 C ATOM 1656 C ASP A 105 9.679 -4.522 6.999 1.00 0.00 C ATOM 1657 O ASP A 105 9.733 -4.844 5.811 1.00 0.00 O ATOM 1658 CB ASP A 105 11.134 -2.654 7.808 1.00 0.00 C ATOM 1659 CG ASP A 105 11.782 -2.180 9.093 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.677 -2.886 9.602 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.394 -1.102 9.590 1.00 0.00 O ATOM 0 H ASP A 105 12.111 -4.830 6.160 1.00 0.00 H new ATOM 0 HA ASP A 105 10.838 -4.540 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.748 -2.348 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.165 -2.168 7.692 1.00 0.00 H new ATOM 1666 N THR A 106 8.538 -4.459 7.679 1.00 0.00 N ATOM 1667 CA THR A 106 7.258 -4.772 7.055 1.00 0.00 C ATOM 1668 C THR A 106 6.195 -3.751 7.441 1.00 0.00 C ATOM 1669 O THR A 106 6.320 -3.062 8.453 1.00 0.00 O ATOM 1670 CB THR A 106 6.771 -6.179 7.449 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.623 -6.266 8.871 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.746 -7.244 6.970 1.00 0.00 C ATOM 0 H THR A 106 8.474 -4.194 8.662 1.00 0.00 H new ATOM 0 HA THR A 106 7.414 -4.739 5.977 1.00 0.00 H new ATOM 0 HB THR A 106 5.806 -6.352 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.311 -7.163 9.113 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.380 -8.229 7.260 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.834 -7.195 5.885 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.723 -7.072 7.422 1.00 0.00 H new ATOM 1680 N ALA A 107 5.146 -3.659 6.629 1.00 0.00 N ATOM 1681 CA ALA A 107 4.059 -2.724 6.888 1.00 0.00 C ATOM 1682 C ALA A 107 2.834 -3.059 6.043 1.00 0.00 C ATOM 1683 O ALA A 107 2.944 -3.702 4.999 1.00 0.00 O ATOM 1684 CB ALA A 107 4.515 -1.297 6.619 1.00 0.00 C ATOM 0 H ALA A 107 5.027 -4.221 5.786 1.00 0.00 H new ATOM 0 HA ALA A 107 3.779 -2.812 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.693 -0.609 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.355 -1.055 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.824 -1.204 5.578 1.00 0.00 H new ATOM 1690 N THR A 108 1.667 -2.618 6.501 1.00 0.00 N ATOM 1691 CA THR A 108 0.421 -2.873 5.789 1.00 0.00 C ATOM 1692 C THR A 108 -0.383 -1.589 5.611 1.00 0.00 C ATOM 1693 O THR A 108 -0.920 -1.044 6.575 1.00 0.00 O ATOM 1694 CB THR A 108 -0.447 -3.910 6.526 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.310 -5.102 6.763 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.692 -4.245 5.720 1.00 0.00 C ATOM 0 H THR A 108 1.559 -2.082 7.362 1.00 0.00 H new ATOM 0 HA THR A 108 0.692 -3.268 4.810 1.00 0.00 H new ATOM 0 HB THR A 108 -0.756 -3.481 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.248 -5.756 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.289 -4.979 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.281 -3.340 5.567 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.400 -4.656 4.753 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.461 -1.113 4.373 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.202 0.106 4.070 1.00 0.00 C ATOM 1706 C ILE A 109 -2.625 -0.212 3.624 1.00 0.00 C ATOM 1707 O ILE A 109 -2.836 -0.855 2.596 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.504 0.929 2.971 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.860 1.420 3.460 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.377 2.103 2.554 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.829 1.727 2.340 1.00 0.00 C ATOM 0 H ILE A 109 -0.021 -1.552 3.564 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.234 0.693 4.988 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.349 0.290 2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.719 2.317 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.298 0.663 4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.870 2.675 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.327 1.732 2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.560 2.745 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.774 2.070 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.000 0.827 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.412 2.506 1.702 1.00 0.00 H new ATOM 1723 N ARG A 110 -3.599 0.243 4.405 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.003 0.008 4.091 1.00 0.00 C ATOM 1725 C ARG A 110 -5.590 1.181 3.311 1.00 0.00 C ATOM 1726 O ARG A 110 -5.419 2.340 3.692 1.00 0.00 O ATOM 1727 CB ARG A 110 -5.804 -0.216 5.375 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.266 -1.343 6.241 1.00 0.00 C ATOM 1729 CD ARG A 110 -4.238 -0.835 7.241 1.00 0.00 C ATOM 1730 NE ARG A 110 -3.908 -1.843 8.245 1.00 0.00 N ATOM 1731 CZ ARG A 110 -2.826 -1.786 9.014 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -1.977 -0.776 8.896 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -2.594 -2.742 9.905 1.00 0.00 N ATOM 0 H ARG A 110 -3.442 0.777 5.260 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.066 -0.886 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.808 0.706 5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.840 -0.433 5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.089 -1.819 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.813 -2.106 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.332 -0.540 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.623 0.057 7.735 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.542 -2.633 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.153 -0.039 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.147 -0.735 9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.246 -3.520 9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.763 -2.698 10.495 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.280 0.872 2.218 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.891 1.900 1.385 1.00 0.00 C ATOM 1749 C ILE A 111 -8.368 1.606 1.145 1.00 0.00 C ATOM 1750 O ILE A 111 -8.744 0.475 0.837 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.176 2.023 0.027 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.685 2.300 0.234 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.813 3.123 -0.809 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.864 2.161 -1.028 1.00 0.00 C ATOM 0 H ILE A 111 -6.430 -0.082 1.889 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.793 2.842 1.924 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.280 1.079 -0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.562 3.309 0.628 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.297 1.614 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.297 3.198 -1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.863 2.887 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.736 4.073 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.818 2.372 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.956 1.145 -1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.225 2.866 -1.777 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.201 2.632 1.285 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.637 2.484 1.083 1.00 0.00 C ATOM 1768 C ARG A 112 -11.127 3.410 -0.027 1.00 0.00 C ATOM 1769 O ARG A 112 -10.831 4.604 -0.030 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.390 2.782 2.380 1.00 0.00 C ATOM 1771 CG ARG A 112 -12.900 2.819 2.213 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.611 2.775 3.557 1.00 0.00 C ATOM 1773 NE ARG A 112 -14.922 2.139 3.462 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.797 2.107 4.461 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.503 2.674 5.623 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -16.970 1.509 4.298 1.00 0.00 N ATOM 0 H ARG A 112 -8.906 3.575 1.538 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.833 1.453 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.133 2.025 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.053 3.741 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.186 3.725 1.679 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.220 1.974 1.603 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.996 2.232 4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.727 3.789 3.939 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.180 1.695 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.603 3.136 5.752 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.177 2.648 6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.201 1.073 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.641 1.485 5.066 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.879 2.849 -0.969 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.412 3.623 -2.084 1.00 0.00 C ATOM 1792 C VAL A 113 -13.917 3.818 -1.948 1.00 0.00 C ATOM 1793 O VAL A 113 -14.668 2.855 -1.793 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.113 2.943 -3.433 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.668 3.770 -4.583 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.617 2.723 -3.598 1.00 0.00 C ATOM 0 H VAL A 113 -12.133 1.861 -0.982 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.919 4.595 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.604 1.970 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.447 3.274 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.747 3.872 -4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.208 4.758 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.424 2.242 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.102 3.683 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.252 2.086 -2.792 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.354 5.073 -2.008 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.771 5.395 -1.893 1.00 0.00 C ATOM 1808 C VAL A 114 -16.287 6.066 -3.161 1.00 0.00 C ATOM 1809 O VAL A 114 -15.623 6.932 -3.730 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.041 6.319 -0.691 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.608 5.650 0.605 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.333 7.653 -0.875 1.00 0.00 C ATOM 0 H VAL A 114 -13.747 5.882 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.298 4.453 -1.743 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.113 6.508 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.806 6.318 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.165 4.723 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.541 5.429 0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.535 8.293 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.259 7.486 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.697 8.136 -1.782 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.474 5.659 -3.599 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.078 6.222 -4.801 1.00 0.00 C ATOM 1824 C GLU A 115 -18.079 7.747 -4.747 1.00 0.00 C ATOM 1825 O GLU A 115 -18.163 8.342 -3.672 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.509 5.706 -4.969 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.585 4.238 -5.356 1.00 0.00 C ATOM 1828 CD GLU A 115 -21.011 3.760 -5.550 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.885 4.601 -5.845 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.252 2.543 -5.408 1.00 0.00 O ATOM 0 H GLU A 115 -18.036 4.942 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.482 5.907 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.052 5.856 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.014 6.301 -5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.024 4.079 -6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.106 3.637 -4.583 1.00 0.00 H new ATOM 1837 N LYS A 116 -17.984 8.374 -5.914 1.00 0.00 N ATOM 1838 CA LYS A 116 -17.974 9.829 -6.003 1.00 0.00 C ATOM 1839 C LYS A 116 -19.315 10.410 -5.563 1.00 0.00 C ATOM 1840 O LYS A 116 -20.371 9.962 -6.007 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.659 10.272 -7.434 1.00 0.00 C ATOM 1842 CG LYS A 116 -18.264 9.371 -8.496 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.226 10.022 -9.868 1.00 0.00 C ATOM 1844 CE LYS A 116 -16.907 9.753 -10.576 1.00 0.00 C ATOM 1845 NZ LYS A 116 -16.935 8.471 -11.333 1.00 0.00 N ATOM 0 H LYS A 116 -17.913 7.897 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.198 10.203 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.025 11.288 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.578 10.301 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.721 8.426 -8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -19.295 9.137 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.049 9.644 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.373 11.097 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.688 10.573 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -16.101 9.724 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.018 8.324 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.119 7.685 -10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.688 8.507 -12.050 1.00 0.00 H new ATOM 1859 N ALA A 117 -19.263 11.411 -4.690 1.00 0.00 N ATOM 1860 CA ALA A 117 -20.473 12.055 -4.194 1.00 0.00 C ATOM 1861 C ALA A 117 -20.148 13.375 -3.503 1.00 0.00 C ATOM 1862 O ALA A 117 -19.021 13.594 -3.059 1.00 0.00 O ATOM 1863 CB ALA A 117 -21.213 11.127 -3.243 1.00 0.00 C ATOM 0 H ALA A 117 -18.396 11.793 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 117 -21.116 12.270 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -22.114 11.621 -2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -21.487 10.212 -3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -20.569 10.882 -2.399 1.00 0.00 H new ATOM 1869 N GLY A 118 -21.143 14.253 -3.416 1.00 0.00 N ATOM 1870 CA GLY A 118 -20.942 15.541 -2.778 1.00 0.00 C ATOM 1871 C GLY A 118 -20.588 15.412 -1.310 1.00 0.00 C ATOM 1872 O GLY A 118 -19.876 16.252 -0.760 1.00 0.00 O ATOM 0 H GLY A 118 -22.084 14.095 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.147 16.079 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.848 16.138 -2.879 1.00 0.00 H new TER 1876 GLY A 118