USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 562 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.473 (180deg=-1.89!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -25:sc= 1.14 USER MOD Single : A 30 THR OG1 : rot -63:sc= 0.995 USER MOD Single : A 37 GLN : amide:sc= -0.0115 X(o=-0.012,f=-0.018) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -55:sc= 0.373 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -44:sc= 1.26 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.207 -11.525 23.787 1.00 0.00 N ATOM 2 CA MET A 1 -4.506 -12.790 23.928 1.00 0.00 C ATOM 3 C MET A 1 -5.477 -13.969 23.830 1.00 0.00 C ATOM 4 O MET A 1 -6.112 -14.339 24.816 1.00 0.00 O ATOM 5 CB MET A 1 -3.791 -12.829 25.280 1.00 0.00 C ATOM 6 CG MET A 1 -2.639 -11.823 25.321 1.00 0.00 C ATOM 7 SD MET A 1 -3.170 -10.320 26.123 1.00 0.00 S ATOM 8 CE MET A 1 -2.407 -9.111 25.053 1.00 0.00 C ATOM 0 H1 MET A 1 -5.009 -11.121 22.849 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.230 -11.682 23.888 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.884 -10.865 24.523 1.00 0.00 H new ATOM 0 HA MET A 1 -3.780 -12.874 23.120 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.501 -12.607 26.077 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.408 -13.833 25.464 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.791 -12.250 25.856 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.300 -11.604 24.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.639 -8.109 25.413 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.327 -9.255 25.053 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.789 -9.230 24.039 1.00 0.00 H new ATOM 18 N SER A 2 -5.562 -14.525 22.630 1.00 0.00 N ATOM 19 CA SER A 2 -6.444 -15.654 22.390 1.00 0.00 C ATOM 20 C SER A 2 -6.314 -16.121 20.939 1.00 0.00 C ATOM 21 O SER A 2 -5.596 -15.510 20.149 1.00 0.00 O ATOM 22 CB SER A 2 -7.898 -15.294 22.703 1.00 0.00 C ATOM 23 OG SER A 2 -8.620 -16.401 23.235 1.00 0.00 O ATOM 0 H SER A 2 -5.035 -14.214 21.814 1.00 0.00 H new ATOM 0 HA SER A 2 -6.148 -16.466 23.054 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.922 -14.470 23.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.388 -14.944 21.795 1.00 0.00 H new ATOM 0 HG SER A 2 -9.543 -16.130 23.423 1.00 0.00 H new ATOM 29 N LEU A 3 -7.020 -17.199 20.631 1.00 0.00 N ATOM 30 CA LEU A 3 -6.993 -17.754 19.289 1.00 0.00 C ATOM 31 C LEU A 3 -7.916 -16.936 18.384 1.00 0.00 C ATOM 32 O LEU A 3 -7.611 -16.718 17.213 1.00 0.00 O ATOM 33 CB LEU A 3 -7.326 -19.247 19.319 1.00 0.00 C ATOM 34 CG LEU A 3 -6.135 -20.198 19.455 1.00 0.00 C ATOM 35 CD1 LEU A 3 -6.593 -21.591 19.889 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.318 -20.240 18.162 1.00 0.00 C ATOM 0 H LEU A 3 -7.615 -17.703 21.289 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.990 -17.684 18.869 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.008 -19.430 20.149 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.863 -19.498 18.404 1.00 0.00 H new ATOM 0 HG LEU A 3 -5.480 -19.816 20.238 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.727 -22.247 19.978 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.098 -21.524 20.852 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.280 -21.996 19.146 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.477 -20.923 18.285 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.950 -20.585 17.344 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.944 -19.242 17.935 1.00 0.00 H new ATOM 48 N GLY A 4 -9.028 -16.505 18.962 1.00 0.00 N ATOM 49 CA GLY A 4 -9.998 -15.715 18.223 1.00 0.00 C ATOM 50 C GLY A 4 -9.415 -14.357 17.830 1.00 0.00 C ATOM 51 O GLY A 4 -9.464 -13.970 16.664 1.00 0.00 O ATOM 0 H GLY A 4 -9.279 -16.688 19.934 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.306 -16.255 17.328 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.891 -15.569 18.830 1.00 0.00 H new ATOM 55 N VAL A 5 -8.875 -13.670 18.826 1.00 0.00 N ATOM 56 CA VAL A 5 -8.283 -12.363 18.600 1.00 0.00 C ATOM 57 C VAL A 5 -7.140 -12.494 17.591 1.00 0.00 C ATOM 58 O VAL A 5 -6.885 -11.575 16.814 1.00 0.00 O ATOM 59 CB VAL A 5 -7.839 -11.751 19.930 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.607 -12.473 20.481 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.576 -10.251 19.784 1.00 0.00 C ATOM 0 H VAL A 5 -8.835 -13.995 19.792 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.018 -11.680 18.173 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.651 -11.880 20.645 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.312 -12.019 21.427 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.843 -13.525 20.642 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.787 -12.390 19.767 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.262 -9.842 20.744 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.790 -10.090 19.046 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.488 -9.752 19.458 1.00 0.00 H new ATOM 71 N LEU A 6 -6.482 -13.643 17.636 1.00 0.00 N ATOM 72 CA LEU A 6 -5.373 -13.906 16.735 1.00 0.00 C ATOM 73 C LEU A 6 -5.868 -13.840 15.289 1.00 0.00 C ATOM 74 O LEU A 6 -5.297 -13.129 14.465 1.00 0.00 O ATOM 75 CB LEU A 6 -4.694 -15.229 17.094 1.00 0.00 C ATOM 76 CG LEU A 6 -3.433 -15.573 16.298 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.853 -16.917 16.744 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.708 -15.539 14.793 1.00 0.00 C ATOM 0 H LEU A 6 -6.696 -14.402 18.282 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.605 -13.140 16.843 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.437 -15.207 18.153 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.416 -16.034 16.958 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.680 -14.812 16.505 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.958 -17.138 16.163 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.596 -16.869 17.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.592 -17.703 16.585 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.796 -15.787 14.251 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.484 -16.264 14.548 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.041 -14.541 14.506 1.00 0.00 H new ATOM 90 N ALA A 7 -6.927 -14.593 15.026 1.00 0.00 N ATOM 91 CA ALA A 7 -7.506 -14.629 13.694 1.00 0.00 C ATOM 92 C ALA A 7 -7.863 -13.207 13.259 1.00 0.00 C ATOM 93 O ALA A 7 -7.811 -12.885 12.072 1.00 0.00 O ATOM 94 CB ALA A 7 -8.719 -15.562 13.690 1.00 0.00 C ATOM 0 H ALA A 7 -7.398 -15.182 15.712 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.789 -15.023 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.154 -15.589 12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.407 -16.566 13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.462 -15.196 14.399 1.00 0.00 H new ATOM 100 N ALA A 8 -8.217 -12.392 14.242 1.00 0.00 N ATOM 101 CA ALA A 8 -8.583 -11.012 13.975 1.00 0.00 C ATOM 102 C ALA A 8 -7.350 -10.247 13.489 1.00 0.00 C ATOM 103 O ALA A 8 -7.466 -9.322 12.686 1.00 0.00 O ATOM 104 CB ALA A 8 -9.194 -10.393 15.234 1.00 0.00 C ATOM 0 H ALA A 8 -8.258 -12.661 15.225 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.335 -10.960 13.188 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.469 -9.357 15.034 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.083 -10.955 15.521 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.466 -10.425 16.045 1.00 0.00 H new ATOM 110 N ALA A 9 -6.198 -10.662 13.995 1.00 0.00 N ATOM 111 CA ALA A 9 -4.945 -10.027 13.622 1.00 0.00 C ATOM 112 C ALA A 9 -4.602 -10.396 12.178 1.00 0.00 C ATOM 113 O ALA A 9 -3.964 -9.619 11.470 1.00 0.00 O ATOM 114 CB ALA A 9 -3.850 -10.443 14.606 1.00 0.00 C ATOM 0 H ALA A 9 -6.106 -11.430 14.660 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.034 -8.942 13.673 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.910 -9.967 14.327 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.129 -10.133 15.613 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.730 -11.526 14.580 1.00 0.00 H new ATOM 120 N ILE A 10 -5.041 -11.582 11.783 1.00 0.00 N ATOM 121 CA ILE A 10 -4.788 -12.064 10.435 1.00 0.00 C ATOM 122 C ILE A 10 -5.759 -11.386 9.466 1.00 0.00 C ATOM 123 O ILE A 10 -5.341 -10.829 8.452 1.00 0.00 O ATOM 124 CB ILE A 10 -4.844 -13.592 10.393 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.451 -14.197 10.581 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.512 -14.081 9.106 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.467 -15.286 11.655 1.00 0.00 C ATOM 0 H ILE A 10 -5.571 -12.224 12.373 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.780 -11.797 10.117 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.459 -13.934 11.225 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.103 -14.617 9.637 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.746 -13.415 10.862 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.539 -15.171 9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.529 -13.693 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.944 -13.729 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.465 -15.699 11.769 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.793 -14.857 12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.155 -16.078 11.360 1.00 0.00 H new ATOM 139 N ALA A 11 -7.036 -11.455 9.812 1.00 0.00 N ATOM 140 CA ALA A 11 -8.069 -10.855 8.985 1.00 0.00 C ATOM 141 C ALA A 11 -7.770 -9.366 8.804 1.00 0.00 C ATOM 142 O ALA A 11 -8.191 -8.760 7.819 1.00 0.00 O ATOM 143 CB ALA A 11 -9.439 -11.101 9.621 1.00 0.00 C ATOM 0 H ALA A 11 -7.379 -11.917 10.654 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.082 -11.312 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.214 -10.651 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.616 -12.174 9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.464 -10.654 10.615 1.00 0.00 H new ATOM 149 N VAL A 12 -7.045 -8.818 9.769 1.00 0.00 N ATOM 150 CA VAL A 12 -6.685 -7.411 9.727 1.00 0.00 C ATOM 151 C VAL A 12 -5.568 -7.205 8.702 1.00 0.00 C ATOM 152 O VAL A 12 -5.691 -6.374 7.804 1.00 0.00 O ATOM 153 CB VAL A 12 -6.308 -6.927 11.129 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.121 -5.962 11.074 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.506 -6.282 11.828 1.00 0.00 C ATOM 0 H VAL A 12 -6.697 -9.323 10.584 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.534 -6.808 9.406 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.008 -7.796 11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.873 -5.633 12.083 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.261 -6.468 10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.383 -5.097 10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.210 -5.947 12.822 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.851 -5.428 11.245 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.312 -7.011 11.915 1.00 0.00 H new ATOM 165 N GLY A 13 -4.504 -7.976 8.871 1.00 0.00 N ATOM 166 CA GLY A 13 -3.366 -7.888 7.972 1.00 0.00 C ATOM 167 C GLY A 13 -3.806 -8.043 6.515 1.00 0.00 C ATOM 168 O GLY A 13 -3.274 -7.377 5.628 1.00 0.00 O ATOM 0 H GLY A 13 -4.406 -8.665 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.866 -6.928 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.640 -8.662 8.221 1.00 0.00 H new ATOM 172 N LEU A 14 -4.772 -8.926 6.312 1.00 0.00 N ATOM 173 CA LEU A 14 -5.289 -9.177 4.978 1.00 0.00 C ATOM 174 C LEU A 14 -6.127 -7.979 4.527 1.00 0.00 C ATOM 175 O LEU A 14 -6.165 -7.654 3.341 1.00 0.00 O ATOM 176 CB LEU A 14 -6.046 -10.506 4.937 1.00 0.00 C ATOM 177 CG LEU A 14 -7.204 -10.589 3.941 1.00 0.00 C ATOM 178 CD1 LEU A 14 -6.687 -10.748 2.510 1.00 0.00 C ATOM 179 CD2 LEU A 14 -8.179 -11.703 4.326 1.00 0.00 C ATOM 0 H LEU A 14 -5.211 -9.477 7.050 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.470 -9.281 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.335 -11.299 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.436 -10.710 5.934 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.756 -9.650 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.531 -10.805 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.064 -9.892 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.097 -11.661 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.993 -11.741 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.655 -12.659 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.585 -11.505 5.318 1.00 0.00 H new ATOM 191 N GLY A 15 -6.778 -7.354 5.497 1.00 0.00 N ATOM 192 CA GLY A 15 -7.613 -6.199 5.214 1.00 0.00 C ATOM 193 C GLY A 15 -6.763 -4.997 4.795 1.00 0.00 C ATOM 194 O GLY A 15 -7.019 -4.383 3.760 1.00 0.00 O ATOM 0 H GLY A 15 -6.744 -7.626 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.320 -6.443 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.199 -5.944 6.097 1.00 0.00 H new ATOM 198 N ALA A 16 -5.771 -4.698 5.620 1.00 0.00 N ATOM 199 CA ALA A 16 -4.882 -3.582 5.348 1.00 0.00 C ATOM 200 C ALA A 16 -4.026 -3.904 4.121 1.00 0.00 C ATOM 201 O ALA A 16 -3.444 -3.007 3.513 1.00 0.00 O ATOM 202 CB ALA A 16 -4.036 -3.288 6.588 1.00 0.00 C ATOM 0 H ALA A 16 -5.563 -5.210 6.478 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.455 -2.682 5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.369 -2.450 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.690 -3.036 7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.446 -4.168 6.843 1.00 0.00 H new ATOM 208 N LEU A 17 -3.978 -5.186 3.793 1.00 0.00 N ATOM 209 CA LEU A 17 -3.204 -5.638 2.649 1.00 0.00 C ATOM 210 C LEU A 17 -3.831 -5.091 1.366 1.00 0.00 C ATOM 211 O LEU A 17 -3.182 -4.365 0.613 1.00 0.00 O ATOM 212 CB LEU A 17 -3.064 -7.161 2.665 1.00 0.00 C ATOM 213 CG LEU A 17 -2.849 -7.829 1.305 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.566 -8.662 1.299 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.072 -8.656 0.901 1.00 0.00 C ATOM 0 H LEU A 17 -4.463 -5.927 4.299 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.188 -5.247 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.227 -7.422 3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.961 -7.584 3.118 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.727 -7.047 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.438 -9.125 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.713 -8.017 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.632 -9.438 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.893 -9.120 -0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.250 -9.431 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.945 -8.007 0.837 1.00 0.00 H new ATOM 227 N GLY A 18 -5.086 -5.459 1.155 1.00 0.00 N ATOM 228 CA GLY A 18 -5.809 -5.015 -0.025 1.00 0.00 C ATOM 229 C GLY A 18 -6.255 -3.559 0.122 1.00 0.00 C ATOM 230 O GLY A 18 -6.015 -2.740 -0.763 1.00 0.00 O ATOM 0 H GLY A 18 -5.621 -6.060 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.174 -5.118 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.679 -5.652 -0.184 1.00 0.00 H new ATOM 234 N ALA A 19 -6.897 -3.281 1.248 1.00 0.00 N ATOM 235 CA ALA A 19 -7.379 -1.938 1.522 1.00 0.00 C ATOM 236 C ALA A 19 -6.204 -0.958 1.472 1.00 0.00 C ATOM 237 O ALA A 19 -6.375 0.203 1.104 1.00 0.00 O ATOM 238 CB ALA A 19 -8.097 -1.919 2.873 1.00 0.00 C ATOM 0 H ALA A 19 -7.094 -3.963 1.980 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.099 -1.627 0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.459 -0.912 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.940 -2.609 2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.404 -2.223 3.658 1.00 0.00 H new ATOM 244 N GLY A 20 -5.038 -1.463 1.847 1.00 0.00 N ATOM 245 CA GLY A 20 -3.836 -0.648 1.850 1.00 0.00 C ATOM 246 C GLY A 20 -3.444 -0.244 0.427 1.00 0.00 C ATOM 247 O GLY A 20 -3.185 0.929 0.160 1.00 0.00 O ATOM 0 H GLY A 20 -4.900 -2.427 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.999 0.245 2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.019 -1.201 2.313 1.00 0.00 H new ATOM 251 N ILE A 21 -3.414 -1.237 -0.449 1.00 0.00 N ATOM 252 CA ILE A 21 -3.058 -1.000 -1.837 1.00 0.00 C ATOM 253 C ILE A 21 -4.104 -0.086 -2.478 1.00 0.00 C ATOM 254 O ILE A 21 -3.789 0.681 -3.387 1.00 0.00 O ATOM 255 CB ILE A 21 -2.866 -2.327 -2.575 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.587 -2.308 -3.414 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.098 -2.670 -3.416 1.00 0.00 C ATOM 258 CD1 ILE A 21 -1.884 -1.903 -4.859 1.00 0.00 C ATOM 0 H ILE A 21 -3.631 -2.208 -0.224 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.100 -0.484 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.752 -3.117 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.872 -1.611 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.122 -3.294 -3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.935 -3.617 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.970 -2.754 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.268 -1.883 -4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.957 -1.898 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.581 -2.616 -5.301 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.326 -0.907 -4.874 1.00 0.00 H new ATOM 270 N GLY A 22 -5.326 -0.198 -1.979 1.00 0.00 N ATOM 271 CA GLY A 22 -6.420 0.610 -2.492 1.00 0.00 C ATOM 272 C GLY A 22 -6.275 2.070 -2.058 1.00 0.00 C ATOM 273 O GLY A 22 -6.615 2.982 -2.810 1.00 0.00 O ATOM 0 H GLY A 22 -5.583 -0.835 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.441 0.551 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.369 0.213 -2.133 1.00 0.00 H new ATOM 277 N ASN A 23 -5.768 2.245 -0.846 1.00 0.00 N ATOM 278 CA ASN A 23 -5.574 3.579 -0.302 1.00 0.00 C ATOM 279 C ASN A 23 -4.420 4.262 -1.040 1.00 0.00 C ATOM 280 O ASN A 23 -4.460 5.468 -1.279 1.00 0.00 O ATOM 281 CB ASN A 23 -5.216 3.521 1.184 1.00 0.00 C ATOM 282 CG ASN A 23 -6.307 4.173 2.036 1.00 0.00 C ATOM 283 OD1 ASN A 23 -7.142 3.513 2.633 1.00 0.00 O ATOM 284 ND2 ASN A 23 -6.255 5.502 2.058 1.00 0.00 N ATOM 0 H ASN A 23 -5.486 1.486 -0.226 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.504 4.133 -0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.082 2.483 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.266 4.028 1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.941 6.030 2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.529 5.993 1.535 1.00 0.00 H new ATOM 291 N GLY A 24 -3.420 3.462 -1.379 1.00 0.00 N ATOM 292 CA GLY A 24 -2.258 3.974 -2.084 1.00 0.00 C ATOM 293 C GLY A 24 -2.600 4.302 -3.539 1.00 0.00 C ATOM 294 O GLY A 24 -2.035 5.227 -4.120 1.00 0.00 O ATOM 0 H GLY A 24 -3.391 2.462 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.889 4.869 -1.583 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.455 3.237 -2.053 1.00 0.00 H new ATOM 298 N LEU A 25 -3.523 3.525 -4.086 1.00 0.00 N ATOM 299 CA LEU A 25 -3.947 3.721 -5.462 1.00 0.00 C ATOM 300 C LEU A 25 -4.638 5.080 -5.590 1.00 0.00 C ATOM 301 O LEU A 25 -4.435 5.794 -6.570 1.00 0.00 O ATOM 302 CB LEU A 25 -4.808 2.546 -5.930 1.00 0.00 C ATOM 303 CG LEU A 25 -4.061 1.247 -6.236 1.00 0.00 C ATOM 304 CD1 LEU A 25 -4.968 0.032 -6.027 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.459 1.278 -7.642 1.00 0.00 C ATOM 0 H LEU A 25 -3.989 2.758 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.084 3.738 -6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.555 2.340 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.348 2.851 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.232 1.156 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.413 -0.879 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.307 0.005 -4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.831 0.104 -6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.934 0.342 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.255 1.404 -8.376 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.759 2.110 -7.720 1.00 0.00 H new ATOM 317 N ILE A 26 -5.441 5.396 -4.584 1.00 0.00 N ATOM 318 CA ILE A 26 -6.164 6.657 -4.572 1.00 0.00 C ATOM 319 C ILE A 26 -5.166 7.810 -4.450 1.00 0.00 C ATOM 320 O ILE A 26 -5.366 8.873 -5.037 1.00 0.00 O ATOM 321 CB ILE A 26 -7.233 6.651 -3.477 1.00 0.00 C ATOM 322 CG1 ILE A 26 -8.276 5.561 -3.736 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.872 8.032 -3.328 1.00 0.00 C ATOM 324 CD1 ILE A 26 -9.045 5.835 -5.029 1.00 0.00 C ATOM 0 H ILE A 26 -5.607 4.801 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.702 6.797 -5.510 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.750 6.416 -2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.785 4.590 -3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.972 5.512 -2.898 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.628 8.000 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.106 8.761 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.338 8.321 -4.270 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.780 5.046 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.555 6.795 -4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.349 5.859 -5.868 1.00 0.00 H new ATOM 336 N VAL A 27 -4.113 7.562 -3.686 1.00 0.00 N ATOM 337 CA VAL A 27 -3.084 8.566 -3.480 1.00 0.00 C ATOM 338 C VAL A 27 -2.316 8.779 -4.786 1.00 0.00 C ATOM 339 O VAL A 27 -2.042 9.914 -5.171 1.00 0.00 O ATOM 340 CB VAL A 27 -2.180 8.158 -2.315 1.00 0.00 C ATOM 341 CG1 VAL A 27 -1.255 9.308 -1.910 1.00 0.00 C ATOM 342 CG2 VAL A 27 -3.007 7.674 -1.122 1.00 0.00 C ATOM 0 H VAL A 27 -3.950 6.679 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.532 9.521 -3.207 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.557 7.328 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.623 8.992 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.629 9.587 -2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.854 10.166 -1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.340 7.390 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.667 8.475 -0.788 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.604 6.812 -1.419 1.00 0.00 H new ATOM 352 N SER A 28 -1.991 7.668 -5.431 1.00 0.00 N ATOM 353 CA SER A 28 -1.260 7.719 -6.686 1.00 0.00 C ATOM 354 C SER A 28 -2.098 8.429 -7.751 1.00 0.00 C ATOM 355 O SER A 28 -1.552 9.052 -8.662 1.00 0.00 O ATOM 356 CB SER A 28 -0.881 6.314 -7.160 1.00 0.00 C ATOM 357 OG SER A 28 -2.009 5.591 -7.645 1.00 0.00 O ATOM 0 H SER A 28 -2.220 6.728 -5.108 1.00 0.00 H new ATOM 0 HA SER A 28 -0.339 8.280 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.131 6.387 -7.948 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.425 5.764 -6.336 1.00 0.00 H new ATOM 0 HG SER A 28 -2.825 5.939 -7.228 1.00 0.00 H new ATOM 363 N ARG A 29 -3.409 8.313 -7.602 1.00 0.00 N ATOM 364 CA ARG A 29 -4.327 8.937 -8.540 1.00 0.00 C ATOM 365 C ARG A 29 -4.274 10.459 -8.402 1.00 0.00 C ATOM 366 O ARG A 29 -4.335 11.179 -9.397 1.00 0.00 O ATOM 367 CB ARG A 29 -5.762 8.460 -8.306 1.00 0.00 C ATOM 368 CG ARG A 29 -6.252 7.602 -9.474 1.00 0.00 C ATOM 369 CD ARG A 29 -6.649 8.474 -10.666 1.00 0.00 C ATOM 370 NE ARG A 29 -8.106 8.372 -10.905 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.818 9.269 -11.601 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.211 10.340 -12.131 1.00 0.00 N ATOM 373 NH2 ARG A 29 -10.136 9.096 -11.767 1.00 0.00 N ATOM 0 H ARG A 29 -3.858 7.796 -6.846 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.020 8.649 -9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.812 7.885 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.419 9.321 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.468 6.906 -9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.106 7.003 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.375 9.512 -10.475 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.103 8.159 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.599 7.569 -10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.208 10.472 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.753 11.023 -12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.598 8.281 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.677 9.779 -12.297 1.00 0.00 H new ATOM 387 N THR A 30 -4.161 10.905 -7.159 1.00 0.00 N ATOM 388 CA THR A 30 -4.099 12.329 -6.878 1.00 0.00 C ATOM 389 C THR A 30 -2.714 12.881 -7.221 1.00 0.00 C ATOM 390 O THR A 30 -2.597 13.966 -7.788 1.00 0.00 O ATOM 391 CB THR A 30 -4.491 12.540 -5.414 1.00 0.00 C ATOM 392 OG1 THR A 30 -3.369 12.056 -4.681 1.00 0.00 O ATOM 393 CG2 THR A 30 -5.641 11.629 -4.979 1.00 0.00 C ATOM 0 H THR A 30 -4.111 10.305 -6.336 1.00 0.00 H new ATOM 0 HA THR A 30 -4.800 12.885 -7.501 1.00 0.00 H new ATOM 0 HB THR A 30 -4.774 13.581 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.251 11.099 -4.857 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.880 11.819 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.518 11.831 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.346 10.587 -5.100 1.00 0.00 H new ATOM 401 N ILE A 31 -1.699 12.108 -6.863 1.00 0.00 N ATOM 402 CA ILE A 31 -0.326 12.506 -7.126 1.00 0.00 C ATOM 403 C ILE A 31 -0.100 12.571 -8.638 1.00 0.00 C ATOM 404 O ILE A 31 0.618 13.443 -9.125 1.00 0.00 O ATOM 405 CB ILE A 31 0.649 11.580 -6.397 1.00 0.00 C ATOM 406 CG1 ILE A 31 1.868 12.355 -5.893 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.048 10.397 -7.282 1.00 0.00 C ATOM 408 CD1 ILE A 31 1.564 13.051 -4.565 1.00 0.00 C ATOM 0 H ILE A 31 -1.800 11.208 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.136 13.504 -6.732 1.00 0.00 H new ATOM 0 HB ILE A 31 0.143 11.171 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.710 11.674 -5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.166 13.095 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.742 9.754 -6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.159 9.827 -7.550 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.528 10.766 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.447 13.595 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.738 13.749 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.290 12.306 -3.818 1.00 0.00 H new ATOM 420 N GLU A 32 -0.725 11.636 -9.339 1.00 0.00 N ATOM 421 CA GLU A 32 -0.601 11.576 -10.785 1.00 0.00 C ATOM 422 C GLU A 32 -1.329 12.757 -11.430 1.00 0.00 C ATOM 423 O GLU A 32 -0.916 13.247 -12.480 1.00 0.00 O ATOM 424 CB GLU A 32 -1.128 10.246 -11.326 1.00 0.00 C ATOM 425 CG GLU A 32 -0.002 9.216 -11.441 1.00 0.00 C ATOM 426 CD GLU A 32 -0.056 8.492 -12.788 1.00 0.00 C ATOM 427 OE1 GLU A 32 -0.828 7.513 -12.875 1.00 0.00 O ATOM 428 OE2 GLU A 32 0.675 8.935 -13.700 1.00 0.00 O ATOM 0 H GLU A 32 -1.319 10.914 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 32 0.456 11.642 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.908 9.865 -10.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.584 10.402 -12.304 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.962 9.712 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.083 8.491 -10.631 1.00 0.00 H new ATOM 435 N GLY A 33 -2.400 13.181 -10.774 1.00 0.00 N ATOM 436 CA GLY A 33 -3.189 14.295 -11.271 1.00 0.00 C ATOM 437 C GLY A 33 -2.354 15.575 -11.329 1.00 0.00 C ATOM 438 O GLY A 33 -2.414 16.316 -12.310 1.00 0.00 O ATOM 0 H GLY A 33 -2.739 12.773 -9.903 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.571 14.060 -12.265 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.054 14.449 -10.626 1.00 0.00 H new ATOM 442 N ILE A 34 -1.594 15.798 -10.267 1.00 0.00 N ATOM 443 CA ILE A 34 -0.748 16.976 -10.185 1.00 0.00 C ATOM 444 C ILE A 34 0.394 16.849 -11.195 1.00 0.00 C ATOM 445 O ILE A 34 0.906 17.853 -11.688 1.00 0.00 O ATOM 446 CB ILE A 34 -0.275 17.198 -8.747 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.938 16.322 -8.428 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.418 16.977 -7.754 1.00 0.00 C ATOM 449 CD1 ILE A 34 2.204 17.170 -8.287 1.00 0.00 C ATOM 0 H ILE A 34 -1.547 15.182 -9.455 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.313 17.869 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 34 0.042 18.236 -8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.760 15.771 -7.505 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.076 15.584 -9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.055 17.141 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.226 17.676 -7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.788 15.956 -7.846 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.052 16.523 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.392 17.701 -9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.071 17.891 -7.480 1.00 0.00 H new ATOM 461 N ALA A 35 0.761 15.607 -11.473 1.00 0.00 N ATOM 462 CA ALA A 35 1.833 15.336 -12.415 1.00 0.00 C ATOM 463 C ALA A 35 1.378 15.721 -13.824 1.00 0.00 C ATOM 464 O ALA A 35 2.188 15.783 -14.747 1.00 0.00 O ATOM 465 CB ALA A 35 2.241 13.865 -12.316 1.00 0.00 C ATOM 0 H ALA A 35 0.335 14.777 -11.062 1.00 0.00 H new ATOM 0 HA ALA A 35 2.712 15.935 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.045 13.662 -13.023 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.584 13.650 -11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.384 13.233 -12.550 1.00 0.00 H new ATOM 471 N ARG A 36 0.082 15.969 -13.945 1.00 0.00 N ATOM 472 CA ARG A 36 -0.491 16.347 -15.226 1.00 0.00 C ATOM 473 C ARG A 36 0.141 17.646 -15.728 1.00 0.00 C ATOM 474 O ARG A 36 0.660 17.699 -16.842 1.00 0.00 O ATOM 475 CB ARG A 36 -2.006 16.533 -15.118 1.00 0.00 C ATOM 476 CG ARG A 36 -2.707 15.195 -14.872 1.00 0.00 C ATOM 477 CD ARG A 36 -4.228 15.358 -14.905 1.00 0.00 C ATOM 478 NE ARG A 36 -4.707 15.354 -16.305 1.00 0.00 N ATOM 479 CZ ARG A 36 -5.998 15.284 -16.657 1.00 0.00 C ATOM 480 NH1 ARG A 36 -6.947 15.210 -15.713 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.341 15.286 -17.952 1.00 0.00 N ATOM 0 H ARG A 36 -0.587 15.916 -13.177 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.284 15.543 -15.932 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.234 17.222 -14.305 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.387 16.984 -16.034 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.399 14.474 -15.629 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.402 14.793 -13.906 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.701 14.549 -14.348 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.513 16.290 -14.417 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.011 15.408 -17.049 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.686 15.207 -14.727 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.930 15.157 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.619 15.341 -18.671 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.324 15.233 -18.219 1.00 0.00 H new ATOM 495 N GLN A 37 0.076 18.664 -14.882 1.00 0.00 N ATOM 496 CA GLN A 37 0.636 19.960 -15.226 1.00 0.00 C ATOM 497 C GLN A 37 2.008 19.789 -15.880 1.00 0.00 C ATOM 498 O GLN A 37 2.641 18.743 -15.739 1.00 0.00 O ATOM 499 CB GLN A 37 0.723 20.864 -13.995 1.00 0.00 C ATOM 500 CG GLN A 37 -0.624 21.527 -13.704 1.00 0.00 C ATOM 501 CD GLN A 37 -0.469 22.664 -12.691 1.00 0.00 C ATOM 502 OE1 GLN A 37 0.239 23.633 -12.910 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.168 22.491 -11.573 1.00 0.00 N ATOM 0 H GLN A 37 -0.356 18.617 -13.959 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.028 20.442 -15.943 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.038 20.278 -13.131 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.482 21.630 -14.155 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.050 21.915 -14.629 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.323 20.785 -13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.741 21.656 -11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.131 23.194 -10.834 1.00 0.00 H new ATOM 512 N PRO A 38 2.440 20.860 -16.598 1.00 0.00 N ATOM 513 CA PRO A 38 3.727 20.838 -17.274 1.00 0.00 C ATOM 514 C PRO A 38 4.874 21.002 -16.274 1.00 0.00 C ATOM 515 O PRO A 38 5.915 20.362 -16.409 1.00 0.00 O ATOM 516 CB PRO A 38 3.657 21.967 -18.289 1.00 0.00 C ATOM 517 CG PRO A 38 2.524 22.871 -17.830 1.00 0.00 C ATOM 518 CD PRO A 38 1.719 22.115 -16.786 1.00 0.00 C ATOM 0 HA PRO A 38 3.927 19.888 -17.769 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.599 22.513 -18.331 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.467 21.581 -19.290 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.920 23.796 -17.411 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.891 23.148 -18.673 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.653 22.677 -15.854 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.698 21.938 -17.125 1.00 0.00 H new ATOM 526 N GLU A 39 4.643 21.863 -15.294 1.00 0.00 N ATOM 527 CA GLU A 39 5.644 22.120 -14.273 1.00 0.00 C ATOM 528 C GLU A 39 5.851 20.875 -13.407 1.00 0.00 C ATOM 529 O GLU A 39 6.884 20.733 -12.755 1.00 0.00 O ATOM 530 CB GLU A 39 5.255 23.326 -13.415 1.00 0.00 C ATOM 531 CG GLU A 39 6.357 24.388 -13.430 1.00 0.00 C ATOM 532 CD GLU A 39 7.216 24.305 -12.167 1.00 0.00 C ATOM 533 OE1 GLU A 39 6.653 23.913 -11.122 1.00 0.00 O ATOM 534 OE2 GLU A 39 8.417 24.635 -12.275 1.00 0.00 O ATOM 0 H GLU A 39 3.777 22.391 -15.185 1.00 0.00 H new ATOM 0 HA GLU A 39 6.586 22.356 -14.767 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.325 23.756 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.070 23.003 -12.390 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.985 24.253 -14.311 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.910 25.379 -13.506 1.00 0.00 H new ATOM 541 N LEU A 40 4.852 20.005 -13.430 1.00 0.00 N ATOM 542 CA LEU A 40 4.911 18.777 -12.656 1.00 0.00 C ATOM 543 C LEU A 40 5.246 17.609 -13.585 1.00 0.00 C ATOM 544 O LEU A 40 4.791 16.487 -13.366 1.00 0.00 O ATOM 545 CB LEU A 40 3.617 18.581 -11.863 1.00 0.00 C ATOM 546 CG LEU A 40 3.374 19.570 -10.720 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.670 20.280 -10.325 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.264 20.560 -11.079 1.00 0.00 C ATOM 0 H LEU A 40 3.997 20.126 -13.973 1.00 0.00 H new ATOM 0 HA LEU A 40 5.707 18.832 -11.914 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.777 18.643 -12.555 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.616 17.572 -11.450 1.00 0.00 H new ATOM 0 HG LEU A 40 3.036 19.009 -9.849 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.470 20.977 -9.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.404 19.543 -9.999 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.061 20.827 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.111 21.251 -10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.549 21.119 -11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.340 20.016 -11.273 1.00 0.00 H new ATOM 560 N ARG A 41 6.038 17.912 -14.603 1.00 0.00 N ATOM 561 CA ARG A 41 6.439 16.902 -15.567 1.00 0.00 C ATOM 562 C ARG A 41 7.238 15.796 -14.874 1.00 0.00 C ATOM 563 O ARG A 41 7.037 14.614 -15.149 1.00 0.00 O ATOM 564 CB ARG A 41 7.287 17.512 -16.684 1.00 0.00 C ATOM 565 CG ARG A 41 7.228 16.652 -17.949 1.00 0.00 C ATOM 566 CD ARG A 41 8.460 15.752 -18.058 1.00 0.00 C ATOM 567 NE ARG A 41 9.313 16.196 -19.182 1.00 0.00 N ATOM 568 CZ ARG A 41 10.315 15.470 -19.698 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.595 14.261 -19.192 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.037 15.953 -20.718 1.00 0.00 N ATOM 0 H ARG A 41 6.413 18.844 -14.781 1.00 0.00 H new ATOM 0 HA ARG A 41 5.533 16.482 -16.004 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.932 18.518 -16.907 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.321 17.605 -16.351 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.326 16.040 -17.935 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.164 17.294 -18.827 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.026 15.782 -17.127 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.152 14.717 -18.211 1.00 0.00 H new ATOM 0 HE ARG A 41 9.127 17.112 -19.590 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.046 13.894 -18.415 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.357 13.708 -19.584 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.824 16.874 -21.102 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.799 15.400 -21.110 1.00 0.00 H new ATOM 584 N PRO A 42 8.153 16.230 -13.967 1.00 0.00 N ATOM 585 CA PRO A 42 8.984 15.291 -13.233 1.00 0.00 C ATOM 586 C PRO A 42 8.180 14.587 -12.138 1.00 0.00 C ATOM 587 O PRO A 42 8.583 13.533 -11.648 1.00 0.00 O ATOM 588 CB PRO A 42 10.131 16.125 -12.685 1.00 0.00 C ATOM 589 CG PRO A 42 9.658 17.569 -12.737 1.00 0.00 C ATOM 590 CD PRO A 42 8.419 17.622 -13.616 1.00 0.00 C ATOM 0 HA PRO A 42 9.361 14.483 -13.861 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.375 15.830 -11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.033 15.988 -13.281 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.431 17.933 -11.735 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.440 18.213 -13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.576 18.065 -13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.590 18.229 -14.505 1.00 0.00 H new ATOM 598 N VAL A 43 7.059 15.198 -11.786 1.00 0.00 N ATOM 599 CA VAL A 43 6.195 14.643 -10.758 1.00 0.00 C ATOM 600 C VAL A 43 5.695 13.268 -11.206 1.00 0.00 C ATOM 601 O VAL A 43 5.413 12.406 -10.375 1.00 0.00 O ATOM 602 CB VAL A 43 5.059 15.620 -10.446 1.00 0.00 C ATOM 603 CG1 VAL A 43 4.108 15.037 -9.398 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.609 16.974 -9.995 1.00 0.00 C ATOM 0 H VAL A 43 6.729 16.072 -12.194 1.00 0.00 H new ATOM 0 HA VAL A 43 6.748 14.501 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 43 4.491 15.778 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.310 15.751 -9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.678 14.109 -9.774 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.658 14.836 -8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.781 17.650 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.212 16.841 -9.097 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.227 17.398 -10.787 1.00 0.00 H new ATOM 614 N LEU A 44 5.601 13.106 -12.517 1.00 0.00 N ATOM 615 CA LEU A 44 5.140 11.851 -13.085 1.00 0.00 C ATOM 616 C LEU A 44 5.982 10.703 -12.525 1.00 0.00 C ATOM 617 O LEU A 44 5.444 9.677 -12.113 1.00 0.00 O ATOM 618 CB LEU A 44 5.137 11.923 -14.613 1.00 0.00 C ATOM 619 CG LEU A 44 3.819 12.348 -15.263 1.00 0.00 C ATOM 620 CD1 LEU A 44 4.058 12.936 -16.655 1.00 0.00 C ATOM 621 CD2 LEU A 44 2.823 11.187 -15.294 1.00 0.00 C ATOM 0 H LEU A 44 5.836 13.823 -13.203 1.00 0.00 H new ATOM 0 HA LEU A 44 4.107 11.659 -12.796 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.914 12.620 -14.925 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.412 10.943 -15.003 1.00 0.00 H new ATOM 0 HG LEU A 44 3.376 13.135 -14.653 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.105 13.230 -17.094 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.705 13.809 -16.575 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.535 12.188 -17.289 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.895 11.516 -15.761 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.245 10.361 -15.867 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.619 10.855 -14.276 1.00 0.00 H new ATOM 633 N GLN A 45 7.290 10.915 -12.528 1.00 0.00 N ATOM 634 CA GLN A 45 8.212 9.911 -12.025 1.00 0.00 C ATOM 635 C GLN A 45 7.968 9.665 -10.535 1.00 0.00 C ATOM 636 O GLN A 45 8.139 8.547 -10.051 1.00 0.00 O ATOM 637 CB GLN A 45 9.664 10.321 -12.283 1.00 0.00 C ATOM 638 CG GLN A 45 10.632 9.235 -11.812 1.00 0.00 C ATOM 639 CD GLN A 45 11.896 9.216 -12.675 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.288 10.207 -13.269 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.508 8.036 -12.711 1.00 0.00 N ATOM 0 H GLN A 45 7.733 11.767 -12.871 1.00 0.00 H new ATOM 0 HA GLN A 45 8.032 8.979 -12.561 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.810 10.506 -13.347 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.880 11.255 -11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.901 9.409 -10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.142 8.262 -11.856 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.126 7.247 -12.190 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.360 7.920 -13.260 1.00 0.00 H new ATOM 650 N THR A 46 7.573 10.727 -9.849 1.00 0.00 N ATOM 651 CA THR A 46 7.304 10.640 -8.424 1.00 0.00 C ATOM 652 C THR A 46 6.067 9.777 -8.167 1.00 0.00 C ATOM 653 O THR A 46 5.987 9.089 -7.150 1.00 0.00 O ATOM 654 CB THR A 46 7.174 12.064 -7.880 1.00 0.00 C ATOM 655 OG1 THR A 46 8.272 12.193 -6.981 1.00 0.00 O ATOM 656 CG2 THR A 46 5.942 12.242 -6.991 1.00 0.00 C ATOM 0 H THR A 46 7.433 11.653 -10.254 1.00 0.00 H new ATOM 0 HA THR A 46 8.121 10.148 -7.896 1.00 0.00 H new ATOM 0 HB THR A 46 7.125 12.767 -8.712 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.266 13.089 -6.583 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.898 13.270 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.043 12.020 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.006 11.563 -6.141 1.00 0.00 H new ATOM 664 N THR A 47 5.134 9.842 -9.105 1.00 0.00 N ATOM 665 CA THR A 47 3.905 9.075 -8.992 1.00 0.00 C ATOM 666 C THR A 47 4.151 7.614 -9.374 1.00 0.00 C ATOM 667 O THR A 47 3.499 6.713 -8.849 1.00 0.00 O ATOM 668 CB THR A 47 2.841 9.757 -9.855 1.00 0.00 C ATOM 669 OG1 THR A 47 3.129 9.312 -11.177 1.00 0.00 O ATOM 670 CG2 THR A 47 3.027 11.274 -9.923 1.00 0.00 C ATOM 0 H THR A 47 5.204 10.414 -9.947 1.00 0.00 H new ATOM 0 HA THR A 47 3.546 9.054 -7.963 1.00 0.00 H new ATOM 0 HB THR A 47 1.851 9.530 -9.458 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.060 9.524 -11.398 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.246 11.709 -10.547 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.964 11.694 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.003 11.502 -10.351 1.00 0.00 H new ATOM 678 N MET A 48 5.094 7.425 -10.285 1.00 0.00 N ATOM 679 CA MET A 48 5.435 6.088 -10.743 1.00 0.00 C ATOM 680 C MET A 48 6.091 5.276 -9.625 1.00 0.00 C ATOM 681 O MET A 48 5.807 4.090 -9.466 1.00 0.00 O ATOM 682 CB MET A 48 6.392 6.185 -11.933 1.00 0.00 C ATOM 683 CG MET A 48 6.020 5.175 -13.020 1.00 0.00 C ATOM 684 SD MET A 48 7.484 4.655 -13.899 1.00 0.00 S ATOM 685 CE MET A 48 6.874 3.160 -14.660 1.00 0.00 C ATOM 0 H MET A 48 5.633 8.175 -10.719 1.00 0.00 H new ATOM 0 HA MET A 48 4.517 5.582 -11.043 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.365 7.194 -12.345 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.414 6.005 -11.598 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.529 4.311 -12.572 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.308 5.622 -13.715 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.667 2.703 -15.252 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.551 2.463 -13.886 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.030 3.399 -15.307 1.00 0.00 H new ATOM 695 N PHE A 49 6.956 5.947 -8.878 1.00 0.00 N ATOM 696 CA PHE A 49 7.654 5.302 -7.779 1.00 0.00 C ATOM 697 C PHE A 49 6.721 5.091 -6.585 1.00 0.00 C ATOM 698 O PHE A 49 6.861 4.117 -5.848 1.00 0.00 O ATOM 699 CB PHE A 49 8.793 6.236 -7.364 1.00 0.00 C ATOM 700 CG PHE A 49 10.179 5.763 -7.807 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.811 4.773 -7.122 1.00 0.00 C ATOM 702 CD2 PHE A 49 10.778 6.333 -8.886 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.097 4.334 -7.533 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.065 5.895 -9.298 1.00 0.00 C ATOM 705 CZ PHE A 49 12.697 4.904 -8.613 1.00 0.00 C ATOM 0 H PHE A 49 7.189 6.931 -9.012 1.00 0.00 H new ATOM 0 HA PHE A 49 8.023 4.326 -8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 49 8.608 7.226 -7.781 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.786 6.341 -6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.335 4.320 -6.265 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.275 7.119 -9.430 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.599 3.548 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 49 12.541 6.348 -10.155 1.00 0.00 H new ATOM 0 HZ PHE A 49 13.675 4.570 -8.926 1.00 0.00 H new ATOM 715 N ILE A 50 5.790 6.021 -6.432 1.00 0.00 N ATOM 716 CA ILE A 50 4.834 5.950 -5.339 1.00 0.00 C ATOM 717 C ILE A 50 3.870 4.788 -5.586 1.00 0.00 C ATOM 718 O ILE A 50 3.455 4.111 -4.647 1.00 0.00 O ATOM 719 CB ILE A 50 4.136 7.298 -5.149 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.254 7.777 -3.701 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.680 7.232 -5.615 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.611 8.437 -3.450 1.00 0.00 C ATOM 0 H ILE A 50 5.677 6.828 -7.046 1.00 0.00 H new ATOM 0 HA ILE A 50 5.345 5.747 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 50 4.640 8.035 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.455 8.486 -3.483 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.125 6.933 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.207 8.203 -5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.648 6.968 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.147 6.478 -5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.668 8.768 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.407 7.718 -3.646 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.726 9.295 -4.112 1.00 0.00 H new ATOM 734 N GLY A 51 3.542 4.592 -6.855 1.00 0.00 N ATOM 735 CA GLY A 51 2.635 3.523 -7.237 1.00 0.00 C ATOM 736 C GLY A 51 3.223 2.154 -6.891 1.00 0.00 C ATOM 737 O GLY A 51 2.572 1.343 -6.233 1.00 0.00 O ATOM 0 H GLY A 51 3.888 5.155 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.680 3.652 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.435 3.577 -8.307 1.00 0.00 H new ATOM 741 N VAL A 52 4.448 1.939 -7.348 1.00 0.00 N ATOM 742 CA VAL A 52 5.131 0.682 -7.094 1.00 0.00 C ATOM 743 C VAL A 52 5.236 0.459 -5.584 1.00 0.00 C ATOM 744 O VAL A 52 4.864 -0.602 -5.083 1.00 0.00 O ATOM 745 CB VAL A 52 6.491 0.675 -7.795 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.195 -0.671 -7.613 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.346 1.021 -9.278 1.00 0.00 C ATOM 0 H VAL A 52 4.985 2.614 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 52 4.563 -0.152 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 52 7.110 1.443 -7.331 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.159 -0.649 -8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.349 -0.860 -6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.579 -1.464 -8.038 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.327 1.009 -9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.700 0.288 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.907 2.013 -9.379 1.00 0.00 H new ATOM 757 N ALA A 53 5.742 1.475 -4.902 1.00 0.00 N ATOM 758 CA ALA A 53 5.900 1.403 -3.459 1.00 0.00 C ATOM 759 C ALA A 53 4.568 1.000 -2.824 1.00 0.00 C ATOM 760 O ALA A 53 4.539 0.213 -1.880 1.00 0.00 O ATOM 761 CB ALA A 53 6.415 2.745 -2.934 1.00 0.00 C ATOM 0 H ALA A 53 6.048 2.353 -5.321 1.00 0.00 H new ATOM 0 HA ALA A 53 6.635 0.645 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.533 2.691 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.377 2.970 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.701 3.531 -3.182 1.00 0.00 H new ATOM 767 N LEU A 54 3.497 1.559 -3.368 1.00 0.00 N ATOM 768 CA LEU A 54 2.164 1.268 -2.867 1.00 0.00 C ATOM 769 C LEU A 54 1.838 -0.204 -3.123 1.00 0.00 C ATOM 770 O LEU A 54 1.084 -0.818 -2.369 1.00 0.00 O ATOM 771 CB LEU A 54 1.143 2.238 -3.465 1.00 0.00 C ATOM 772 CG LEU A 54 0.010 1.603 -4.274 1.00 0.00 C ATOM 773 CD1 LEU A 54 -1.118 1.127 -3.358 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.495 2.562 -5.355 1.00 0.00 C ATOM 0 H LEU A 54 3.525 2.212 -4.151 1.00 0.00 H new ATOM 0 HA LEU A 54 2.120 1.421 -1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.703 2.817 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.672 2.941 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 54 0.404 0.723 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.910 0.680 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.731 0.386 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.518 1.975 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.300 2.087 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.867 3.474 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.322 2.809 -6.032 1.00 0.00 H new ATOM 786 N VAL A 55 2.421 -0.729 -4.191 1.00 0.00 N ATOM 787 CA VAL A 55 2.202 -2.119 -4.557 1.00 0.00 C ATOM 788 C VAL A 55 3.046 -3.019 -3.653 1.00 0.00 C ATOM 789 O VAL A 55 2.700 -4.177 -3.426 1.00 0.00 O ATOM 790 CB VAL A 55 2.495 -2.321 -6.044 1.00 0.00 C ATOM 791 CG1 VAL A 55 2.652 -3.806 -6.375 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.410 -1.678 -6.910 1.00 0.00 C ATOM 0 H VAL A 55 3.045 -0.217 -4.815 1.00 0.00 H new ATOM 0 HA VAL A 55 1.158 -2.394 -4.405 1.00 0.00 H new ATOM 0 HB VAL A 55 3.440 -1.826 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.860 -3.922 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.477 -4.222 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.731 -4.334 -6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.643 -1.837 -7.963 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.445 -2.130 -6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.367 -0.608 -6.705 1.00 0.00 H new ATOM 802 N GLU A 56 4.138 -2.452 -3.161 1.00 0.00 N ATOM 803 CA GLU A 56 5.035 -3.190 -2.287 1.00 0.00 C ATOM 804 C GLU A 56 4.396 -3.379 -0.909 1.00 0.00 C ATOM 805 O GLU A 56 4.976 -4.022 -0.035 1.00 0.00 O ATOM 806 CB GLU A 56 6.389 -2.487 -2.171 1.00 0.00 C ATOM 807 CG GLU A 56 7.240 -2.729 -3.419 1.00 0.00 C ATOM 808 CD GLU A 56 8.700 -2.346 -3.170 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.345 -3.059 -2.370 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.139 -1.350 -3.784 1.00 0.00 O ATOM 0 H GLU A 56 4.422 -1.491 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 56 5.209 -4.173 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.237 -1.417 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.917 -2.851 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.180 -3.779 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.845 -2.147 -4.252 1.00 0.00 H new ATOM 817 N ALA A 57 3.211 -2.807 -0.758 1.00 0.00 N ATOM 818 CA ALA A 57 2.487 -2.905 0.499 1.00 0.00 C ATOM 819 C ALA A 57 1.620 -4.165 0.486 1.00 0.00 C ATOM 820 O ALA A 57 1.171 -4.624 1.535 1.00 0.00 O ATOM 821 CB ALA A 57 1.665 -1.633 0.715 1.00 0.00 C ATOM 0 H ALA A 57 2.734 -2.274 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 57 3.180 -2.991 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.122 -1.706 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.331 -0.770 0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.956 -1.515 -0.104 1.00 0.00 H new ATOM 827 N LEU A 58 1.411 -4.689 -0.713 1.00 0.00 N ATOM 828 CA LEU A 58 0.605 -5.887 -0.876 1.00 0.00 C ATOM 829 C LEU A 58 1.354 -7.084 -0.287 1.00 0.00 C ATOM 830 O LEU A 58 0.816 -7.807 0.550 1.00 0.00 O ATOM 831 CB LEU A 58 0.208 -6.070 -2.342 1.00 0.00 C ATOM 832 CG LEU A 58 -1.264 -6.399 -2.602 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.182 -5.425 -1.861 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.560 -6.436 -4.103 1.00 0.00 C ATOM 0 H LEU A 58 1.786 -4.306 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.331 -5.794 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.456 -5.156 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.818 -6.867 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.467 -7.395 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.222 -5.681 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.993 -5.491 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.986 -4.409 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.612 -6.672 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.336 -5.464 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.942 -7.199 -4.577 1.00 0.00 H new ATOM 846 N PRO A 59 2.617 -7.261 -0.760 1.00 0.00 N ATOM 847 CA PRO A 59 3.445 -8.358 -0.290 1.00 0.00 C ATOM 848 C PRO A 59 3.975 -8.080 1.118 1.00 0.00 C ATOM 849 O PRO A 59 4.125 -9.000 1.921 1.00 0.00 O ATOM 850 CB PRO A 59 4.550 -8.489 -1.325 1.00 0.00 C ATOM 851 CG PRO A 59 4.568 -7.171 -2.084 1.00 0.00 C ATOM 852 CD PRO A 59 3.286 -6.425 -1.752 1.00 0.00 C ATOM 0 HA PRO A 59 2.892 -9.293 -0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.512 -8.678 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.358 -9.325 -1.998 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.438 -6.579 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.639 -7.349 -3.157 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.497 -5.432 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.666 -6.289 -2.638 1.00 0.00 H new ATOM 860 N ILE A 60 4.244 -6.808 1.375 1.00 0.00 N ATOM 861 CA ILE A 60 4.754 -6.398 2.672 1.00 0.00 C ATOM 862 C ILE A 60 3.707 -6.702 3.746 1.00 0.00 C ATOM 863 O ILE A 60 3.990 -7.411 4.710 1.00 0.00 O ATOM 864 CB ILE A 60 5.191 -4.932 2.636 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.537 -4.779 1.925 1.00 0.00 C ATOM 866 CG2 ILE A 60 5.215 -4.333 4.044 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.898 -3.303 1.748 1.00 0.00 C ATOM 0 H ILE A 60 4.118 -6.048 0.707 1.00 0.00 H new ATOM 0 HA ILE A 60 5.648 -6.967 2.928 1.00 0.00 H new ATOM 0 HB ILE A 60 4.456 -4.370 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.315 -5.281 2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.495 -5.266 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.529 -3.291 3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.218 -4.390 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.915 -4.891 4.665 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.859 -3.222 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.130 -2.809 1.152 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.963 -2.825 2.725 1.00 0.00 H new ATOM 879 N ILE A 61 2.520 -6.150 3.543 1.00 0.00 N ATOM 880 CA ILE A 61 1.430 -6.353 4.482 1.00 0.00 C ATOM 881 C ILE A 61 1.124 -7.849 4.585 1.00 0.00 C ATOM 882 O ILE A 61 0.911 -8.368 5.680 1.00 0.00 O ATOM 883 CB ILE A 61 0.220 -5.503 4.089 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.593 -4.022 4.010 1.00 0.00 C ATOM 885 CG2 ILE A 61 -0.954 -5.749 5.039 1.00 0.00 C ATOM 886 CD1 ILE A 61 0.384 -3.331 5.359 1.00 0.00 C ATOM 0 H ILE A 61 2.289 -5.562 2.742 1.00 0.00 H new ATOM 0 HA ILE A 61 1.717 -6.017 5.478 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.102 -5.807 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.634 -3.921 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.013 -3.531 3.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.801 -5.133 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.238 -6.801 5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.660 -5.489 6.056 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.657 -2.279 5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.663 -3.412 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.009 -3.809 6.113 1.00 0.00 H new ATOM 898 N GLY A 62 1.111 -8.499 3.431 1.00 0.00 N ATOM 899 CA GLY A 62 0.834 -9.924 3.378 1.00 0.00 C ATOM 900 C GLY A 62 1.746 -10.696 4.334 1.00 0.00 C ATOM 901 O GLY A 62 1.333 -11.694 4.922 1.00 0.00 O ATOM 0 H GLY A 62 1.288 -8.065 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.209 -10.105 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.976 -10.288 2.361 1.00 0.00 H new ATOM 905 N VAL A 63 2.970 -10.203 4.460 1.00 0.00 N ATOM 906 CA VAL A 63 3.944 -10.834 5.335 1.00 0.00 C ATOM 907 C VAL A 63 3.576 -10.547 6.792 1.00 0.00 C ATOM 908 O VAL A 63 3.786 -11.386 7.666 1.00 0.00 O ATOM 909 CB VAL A 63 5.354 -10.365 4.971 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.315 -10.556 6.147 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.866 -11.085 3.722 1.00 0.00 C ATOM 0 H VAL A 63 3.309 -9.375 3.971 1.00 0.00 H new ATOM 0 HA VAL A 63 3.931 -11.916 5.204 1.00 0.00 H new ATOM 0 HB VAL A 63 5.306 -9.299 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.310 -10.215 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.964 -9.978 7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.356 -11.612 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.870 -10.733 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.892 -12.159 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.201 -10.876 2.884 1.00 0.00 H new ATOM 921 N VAL A 64 3.032 -9.358 7.008 1.00 0.00 N ATOM 922 CA VAL A 64 2.633 -8.950 8.345 1.00 0.00 C ATOM 923 C VAL A 64 1.545 -9.895 8.858 1.00 0.00 C ATOM 924 O VAL A 64 1.683 -10.481 9.930 1.00 0.00 O ATOM 925 CB VAL A 64 2.195 -7.483 8.335 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.511 -7.107 9.651 1.00 0.00 C ATOM 927 CG2 VAL A 64 3.381 -6.559 8.049 1.00 0.00 C ATOM 0 H VAL A 64 2.858 -8.665 6.280 1.00 0.00 H new ATOM 0 HA VAL A 64 3.475 -9.020 9.033 1.00 0.00 H new ATOM 0 HB VAL A 64 1.469 -7.355 7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.210 -6.060 9.618 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.631 -7.734 9.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.205 -7.259 10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.043 -5.523 8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.140 -6.692 8.820 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.806 -6.803 7.076 1.00 0.00 H new ATOM 937 N PHE A 65 0.488 -10.013 8.068 1.00 0.00 N ATOM 938 CA PHE A 65 -0.623 -10.877 8.430 1.00 0.00 C ATOM 939 C PHE A 65 -0.132 -12.282 8.784 1.00 0.00 C ATOM 940 O PHE A 65 -0.564 -12.862 9.779 1.00 0.00 O ATOM 941 CB PHE A 65 -1.539 -10.963 7.207 1.00 0.00 C ATOM 942 CG PHE A 65 -1.811 -12.391 6.732 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.440 -13.273 7.554 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.424 -12.779 5.488 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.693 -14.599 7.114 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.676 -14.105 5.047 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.305 -14.987 5.869 1.00 0.00 C ATOM 0 H PHE A 65 0.377 -9.525 7.179 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.141 -10.472 9.299 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.489 -10.483 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.090 -10.399 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.747 -12.965 8.542 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.925 -12.079 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.193 -15.299 7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.368 -14.413 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.497 -15.996 5.534 1.00 0.00 H new ATOM 957 N SER A 66 0.763 -12.789 7.949 1.00 0.00 N ATOM 958 CA SER A 66 1.318 -14.116 8.162 1.00 0.00 C ATOM 959 C SER A 66 2.152 -14.135 9.444 1.00 0.00 C ATOM 960 O SER A 66 2.208 -15.149 10.137 1.00 0.00 O ATOM 961 CB SER A 66 2.168 -14.555 6.968 1.00 0.00 C ATOM 962 OG SER A 66 3.482 -14.007 7.019 1.00 0.00 O ATOM 0 H SER A 66 1.118 -12.306 7.124 1.00 0.00 H new ATOM 0 HA SER A 66 0.492 -14.820 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.229 -15.643 6.947 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.682 -14.245 6.043 1.00 0.00 H new ATOM 0 HG SER A 66 3.432 -13.059 7.262 1.00 0.00 H new ATOM 968 N PHE A 67 2.780 -13.001 9.720 1.00 0.00 N ATOM 969 CA PHE A 67 3.609 -12.875 10.907 1.00 0.00 C ATOM 970 C PHE A 67 2.755 -12.886 12.176 1.00 0.00 C ATOM 971 O PHE A 67 3.172 -13.418 13.205 1.00 0.00 O ATOM 972 CB PHE A 67 4.334 -11.532 10.806 1.00 0.00 C ATOM 973 CG PHE A 67 5.834 -11.610 11.097 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.698 -11.990 10.118 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.303 -11.299 12.335 1.00 0.00 C ATOM 976 CE1 PHE A 67 8.090 -12.063 10.389 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.695 -11.371 12.606 1.00 0.00 C ATOM 978 CZ PHE A 67 8.559 -11.752 11.627 1.00 0.00 C ATOM 0 H PHE A 67 2.731 -12.162 9.142 1.00 0.00 H new ATOM 0 HA PHE A 67 4.307 -13.711 10.964 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.189 -11.127 9.804 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.875 -10.830 11.503 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.326 -12.236 9.135 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.617 -10.997 13.112 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.776 -12.366 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.068 -11.123 13.589 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.618 -11.808 11.833 1.00 0.00 H new ATOM 988 N ILE A 68 1.575 -12.294 12.063 1.00 0.00 N ATOM 989 CA ILE A 68 0.659 -12.229 13.188 1.00 0.00 C ATOM 990 C ILE A 68 0.410 -13.642 13.720 1.00 0.00 C ATOM 991 O ILE A 68 0.524 -13.887 14.920 1.00 0.00 O ATOM 992 CB ILE A 68 -0.619 -11.485 12.796 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.576 -10.032 13.274 1.00 0.00 C ATOM 994 CG2 ILE A 68 -1.860 -12.220 13.307 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.649 -9.306 12.714 1.00 0.00 C ATOM 0 H ILE A 68 1.232 -11.855 11.209 1.00 0.00 H new ATOM 0 HA ILE A 68 1.097 -11.654 14.004 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.682 -11.464 11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.484 -9.516 12.961 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.553 -10.004 14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.755 -11.670 13.015 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.893 -13.221 12.877 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.818 -12.293 14.394 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.655 -8.276 13.069 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.555 -9.811 13.049 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.610 -9.314 11.625 1.00 0.00 H new ATOM 1007 N TYR A 69 0.074 -14.535 12.800 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.193 -15.917 13.161 1.00 0.00 C ATOM 1009 C TYR A 69 0.900 -16.463 14.082 1.00 0.00 C ATOM 1010 O TYR A 69 0.605 -17.057 15.118 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.180 -16.705 11.850 1.00 0.00 C ATOM 1012 CG TYR A 69 -0.642 -18.157 11.992 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.843 -18.441 12.611 1.00 0.00 C ATOM 1014 CD2 TYR A 69 0.141 -19.181 11.502 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -2.278 -19.807 12.745 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -0.295 -20.548 11.635 1.00 0.00 C ATOM 1017 CZ TYR A 69 -1.483 -20.793 12.250 1.00 0.00 C ATOM 1018 OH TYR A 69 -1.894 -22.083 12.377 1.00 0.00 O ATOM 0 H TYR A 69 -0.019 -14.328 11.806 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.143 -16.000 13.689 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.821 -16.199 11.128 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.831 -16.694 11.442 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.456 -17.639 12.995 1.00 0.00 H new ATOM 0 HD2 TYR A 69 1.081 -18.958 11.019 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.215 -20.043 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.308 -21.359 11.255 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.227 -22.680 11.977 1.00 0.00 H new ATOM 1028 N LEU A 70 2.141 -16.244 13.670 1.00 0.00 N ATOM 1029 CA LEU A 70 3.279 -16.707 14.445 1.00 0.00 C ATOM 1030 C LEU A 70 3.146 -16.210 15.886 1.00 0.00 C ATOM 1031 O LEU A 70 3.749 -16.773 16.799 1.00 0.00 O ATOM 1032 CB LEU A 70 4.589 -16.295 13.771 1.00 0.00 C ATOM 1033 CG LEU A 70 5.083 -17.211 12.649 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.161 -18.664 13.121 1.00 0.00 C ATOM 1035 CD2 LEU A 70 4.216 -17.061 11.397 1.00 0.00 C ATOM 0 H LEU A 70 2.382 -15.752 12.810 1.00 0.00 H new ATOM 0 HA LEU A 70 3.296 -17.796 14.484 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.466 -15.291 13.366 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.365 -16.238 14.534 1.00 0.00 H new ATOM 0 HG LEU A 70 6.094 -16.906 12.379 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.515 -19.293 12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.852 -18.737 13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.172 -18.998 13.435 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.589 -17.723 10.615 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.185 -17.324 11.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.256 -16.029 11.048 1.00 0.00 H new ATOM 1047 N GLY A 71 2.354 -15.160 16.045 1.00 0.00 N ATOM 1048 CA GLY A 71 2.134 -14.581 17.359 1.00 0.00 C ATOM 1049 C GLY A 71 2.740 -13.179 17.449 1.00 0.00 C ATOM 1050 O GLY A 71 2.975 -12.669 18.543 1.00 0.00 O ATOM 0 H GLY A 71 1.857 -14.695 15.285 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.065 -14.533 17.565 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.577 -15.222 18.121 1.00 0.00 H new ATOM 1054 N ARG A 72 2.975 -12.595 16.283 1.00 0.00 N ATOM 1055 CA ARG A 72 3.548 -11.262 16.215 1.00 0.00 C ATOM 1056 C ARG A 72 2.935 -10.479 15.053 1.00 0.00 C ATOM 1057 O ARG A 72 1.880 -9.865 15.201 1.00 0.00 O ATOM 1058 CB ARG A 72 5.066 -11.324 16.035 1.00 0.00 C ATOM 1059 CG ARG A 72 5.784 -10.628 17.194 1.00 0.00 C ATOM 1060 CD ARG A 72 5.780 -11.505 18.447 1.00 0.00 C ATOM 1061 NE ARG A 72 6.931 -11.159 19.311 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.048 -10.002 19.978 1.00 0.00 C ATOM 1063 NH1 ARG A 72 6.085 -9.074 19.884 1.00 0.00 N ATOM 1064 NH2 ARG A 72 8.127 -9.773 20.739 1.00 0.00 N ATOM 0 H ARG A 72 2.779 -13.021 15.377 1.00 0.00 H new ATOM 0 HA ARG A 72 3.325 -10.757 17.155 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.387 -12.364 15.976 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.344 -10.851 15.093 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.811 -10.402 16.907 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.297 -9.677 17.410 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.848 -11.366 18.995 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.830 -12.557 18.165 1.00 0.00 H new ATOM 0 HE ARG A 72 7.682 -11.843 19.405 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.263 -9.248 19.305 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.174 -8.194 20.391 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.860 -10.479 20.811 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.216 -8.893 21.246 1.00 0.00 H new TER 1078 ARG A 72