USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 620 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+ -115:sc= 0.0347 (180deg=-0.0961) USER MOD Single : A 3 ASN : amide:sc= -0.551 K(o=-0.55,f=-1.3) USER MOD Single : A 5 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.6!) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 150:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.64 F(o=-2.7,f=-0.64) USER MOD Single : A 51 THR OG1 : rot 81:sc= 1.05 USER MOD Single : A 52 GLN :FLIP amide:sc= -2.35! F(o=-3.2,f=-2.3!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -136:sc= -0.195 (180deg=-2.28) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.711 -35.086 3.210 1.00 0.00 N ATOM 2 CA MET A 1 -4.144 -33.763 3.403 1.00 0.00 C ATOM 3 C MET A 1 -5.133 -32.674 2.983 1.00 0.00 C ATOM 4 O MET A 1 -5.119 -32.226 1.838 1.00 0.00 O ATOM 5 CB MET A 1 -2.861 -33.632 2.577 1.00 0.00 C ATOM 6 CG MET A 1 -1.792 -34.611 3.068 1.00 0.00 C ATOM 7 SD MET A 1 -1.563 -35.915 1.873 1.00 0.00 S ATOM 8 CE MET A 1 -1.420 -37.318 2.967 1.00 0.00 C ATOM 0 H1 MET A 1 -4.825 -35.553 4.132 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.638 -35.002 2.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.076 -35.652 2.612 1.00 0.00 H new ATOM 0 HA MET A 1 -3.921 -33.636 4.462 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.079 -33.823 1.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.483 -32.612 2.644 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.851 -34.084 3.228 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.088 -35.034 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.271 -38.224 2.379 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.570 -37.174 3.634 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.331 -37.414 3.557 1.00 0.00 H new ATOM 18 N GLU A 2 -5.969 -32.281 3.933 1.00 0.00 N ATOM 19 CA GLU A 2 -6.964 -31.254 3.676 1.00 0.00 C ATOM 20 C GLU A 2 -6.457 -29.893 4.154 1.00 0.00 C ATOM 21 O GLU A 2 -7.030 -28.858 3.813 1.00 0.00 O ATOM 22 CB GLU A 2 -8.299 -31.605 4.338 1.00 0.00 C ATOM 23 CG GLU A 2 -8.116 -31.866 5.835 1.00 0.00 C ATOM 24 CD GLU A 2 -9.397 -31.545 6.607 1.00 0.00 C ATOM 25 OE1 GLU A 2 -9.865 -30.396 6.582 1.00 0.00 O ATOM 26 OE2 GLU A 2 -9.910 -32.538 7.250 1.00 0.00 O ATOM 0 H GLU A 2 -5.978 -32.655 4.882 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.132 -31.200 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.007 -30.790 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.725 -32.487 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.842 -32.909 5.995 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.295 -31.258 6.216 1.00 0.00 H new ATOM 34 N ASN A 3 -5.388 -29.936 4.936 1.00 0.00 N ATOM 35 CA ASN A 3 -4.798 -28.718 5.464 1.00 0.00 C ATOM 36 C ASN A 3 -3.274 -28.803 5.348 1.00 0.00 C ATOM 37 O ASN A 3 -2.554 -28.141 6.092 1.00 0.00 O ATOM 38 CB ASN A 3 -5.149 -28.530 6.941 1.00 0.00 C ATOM 39 CG ASN A 3 -6.665 -28.454 7.138 1.00 0.00 C ATOM 40 OD1 ASN A 3 -7.410 -28.044 6.265 1.00 0.00 O ATOM 41 ND2 ASN A 3 -7.076 -28.872 8.332 1.00 0.00 N ATOM 0 H ASN A 3 -4.915 -30.795 5.216 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.190 -27.878 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.744 -29.358 7.523 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.684 -27.619 7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.070 -28.861 8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -6.397 -29.203 9.018 1.00 0.00 H new ATOM 48 N LEU A 4 -2.830 -29.625 4.409 1.00 0.00 N ATOM 49 CA LEU A 4 -1.405 -29.806 4.185 1.00 0.00 C ATOM 50 C LEU A 4 -1.060 -29.388 2.755 1.00 0.00 C ATOM 51 O LEU A 4 -0.061 -28.708 2.526 1.00 0.00 O ATOM 52 CB LEU A 4 -0.987 -31.238 4.526 1.00 0.00 C ATOM 53 CG LEU A 4 0.325 -31.387 5.299 1.00 0.00 C ATOM 54 CD1 LEU A 4 0.159 -30.939 6.752 1.00 0.00 C ATOM 55 CD2 LEU A 4 0.861 -32.816 5.198 1.00 0.00 C ATOM 0 H LEU A 4 -3.431 -30.173 3.794 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.830 -29.163 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.784 -31.699 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -0.905 -31.802 3.597 1.00 0.00 H new ATOM 0 HG LEU A 4 1.067 -30.732 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.106 -31.055 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.145 -29.892 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.603 -31.550 7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.794 -32.895 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.130 -33.509 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.042 -33.064 4.152 1.00 0.00 H new ATOM 67 N ASN A 5 -1.907 -29.812 1.829 1.00 0.00 N ATOM 68 CA ASN A 5 -1.704 -29.492 0.425 1.00 0.00 C ATOM 69 C ASN A 5 -2.297 -28.112 0.132 1.00 0.00 C ATOM 70 O ASN A 5 -1.638 -27.263 -0.466 1.00 0.00 O ATOM 71 CB ASN A 5 -2.403 -30.508 -0.479 1.00 0.00 C ATOM 72 CG ASN A 5 -1.560 -30.808 -1.720 1.00 0.00 C ATOM 73 OD1 ASN A 5 -0.379 -30.511 -1.787 1.00 0.00 O ATOM 74 ND2 ASN A 5 -2.233 -31.410 -2.698 1.00 0.00 N ATOM 0 H ASN A 5 -2.736 -30.374 2.023 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.632 -29.511 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.583 -31.430 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.377 -30.122 -0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.760 -31.651 -3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.221 -31.631 -2.576 1.00 0.00 H new ATOM 81 N MET A 6 -3.535 -27.930 0.567 1.00 0.00 N ATOM 82 CA MET A 6 -4.223 -26.668 0.359 1.00 0.00 C ATOM 83 C MET A 6 -3.295 -25.484 0.634 1.00 0.00 C ATOM 84 O MET A 6 -3.275 -24.516 -0.125 1.00 0.00 O ATOM 85 CB MET A 6 -5.438 -26.590 1.286 1.00 0.00 C ATOM 86 CG MET A 6 -6.716 -26.999 0.551 1.00 0.00 C ATOM 87 SD MET A 6 -6.708 -28.756 0.244 1.00 0.00 S ATOM 88 CE MET A 6 -6.884 -28.760 -1.533 1.00 0.00 C ATOM 0 H MET A 6 -4.079 -28.636 1.063 1.00 0.00 H new ATOM 0 HA MET A 6 -4.544 -26.619 -0.682 1.00 0.00 H new ATOM 0 HB2 MET A 6 -5.285 -27.241 2.147 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.543 -25.575 1.669 1.00 0.00 H new ATOM 0 HG2 MET A 6 -7.589 -26.729 1.145 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.792 -26.457 -0.392 1.00 0.00 H new ATOM 0 HE1 MET A 6 -6.897 -29.788 -1.895 1.00 0.00 H new ATOM 0 HE2 MET A 6 -7.816 -28.266 -1.807 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.046 -28.228 -1.983 1.00 0.00 H new ATOM 98 N ASP A 7 -2.545 -25.600 1.721 1.00 0.00 N ATOM 99 CA ASP A 7 -1.616 -24.552 2.105 1.00 0.00 C ATOM 100 C ASP A 7 -0.701 -24.228 0.922 1.00 0.00 C ATOM 101 O ASP A 7 -0.551 -23.066 0.550 1.00 0.00 O ATOM 102 CB ASP A 7 -0.737 -24.998 3.275 1.00 0.00 C ATOM 103 CG ASP A 7 0.585 -24.238 3.416 1.00 0.00 C ATOM 104 OD1 ASP A 7 1.496 -24.383 2.589 1.00 0.00 O ATOM 105 OD2 ASP A 7 0.660 -23.460 4.443 1.00 0.00 O ATOM 0 H ASP A 7 -2.563 -26.405 2.348 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.197 -23.679 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.304 -24.886 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.518 -26.060 3.162 1.00 0.00 H new ATOM 111 N LEU A 8 -0.115 -25.278 0.364 1.00 0.00 N ATOM 112 CA LEU A 8 0.780 -25.119 -0.769 1.00 0.00 C ATOM 113 C LEU A 8 0.085 -24.293 -1.852 1.00 0.00 C ATOM 114 O LEU A 8 0.479 -23.160 -2.124 1.00 0.00 O ATOM 115 CB LEU A 8 1.273 -26.483 -1.257 1.00 0.00 C ATOM 116 CG LEU A 8 1.946 -26.501 -2.630 1.00 0.00 C ATOM 117 CD1 LEU A 8 3.468 -26.585 -2.495 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.386 -27.627 -3.501 1.00 0.00 C ATOM 0 H LEU A 8 -0.243 -26.241 0.675 1.00 0.00 H new ATOM 0 HA LEU A 8 1.674 -24.569 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.978 -26.876 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.424 -27.166 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 8 1.719 -25.561 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.921 -26.596 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.832 -25.721 -1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.736 -27.498 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.882 -27.617 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.562 -28.586 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.315 -27.481 -3.639 1.00 0.00 H new ATOM 130 N LEU A 9 -0.939 -24.892 -2.443 1.00 0.00 N ATOM 131 CA LEU A 9 -1.693 -24.227 -3.491 1.00 0.00 C ATOM 132 C LEU A 9 -1.895 -22.758 -3.113 1.00 0.00 C ATOM 133 O LEU A 9 -1.475 -21.862 -3.842 1.00 0.00 O ATOM 134 CB LEU A 9 -2.999 -24.974 -3.769 1.00 0.00 C ATOM 135 CG LEU A 9 -3.531 -24.885 -5.201 1.00 0.00 C ATOM 136 CD1 LEU A 9 -3.076 -26.088 -6.031 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.052 -24.724 -5.211 1.00 0.00 C ATOM 0 H LEU A 9 -1.264 -25.832 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.137 -24.243 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.853 -26.025 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.764 -24.591 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.110 -23.995 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.468 -26.000 -7.044 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.987 -26.116 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.449 -27.006 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.405 -24.663 -6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.512 -25.582 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.325 -23.812 -4.680 1.00 0.00 H new ATOM 149 N TYR A 10 -2.539 -22.556 -1.972 1.00 0.00 N ATOM 150 CA TYR A 10 -2.803 -21.212 -1.488 1.00 0.00 C ATOM 151 C TYR A 10 -1.563 -20.326 -1.630 1.00 0.00 C ATOM 152 O TYR A 10 -1.637 -19.231 -2.186 1.00 0.00 O ATOM 153 CB TYR A 10 -3.144 -21.357 -0.005 1.00 0.00 C ATOM 154 CG TYR A 10 -3.968 -20.198 0.560 1.00 0.00 C ATOM 155 CD1 TYR A 10 -5.252 -19.976 0.103 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.429 -19.374 1.528 1.00 0.00 C ATOM 157 CE1 TYR A 10 -6.028 -18.885 0.634 1.00 0.00 C ATOM 158 CE2 TYR A 10 -4.204 -18.283 2.059 1.00 0.00 C ATOM 159 CZ TYR A 10 -5.465 -18.092 1.586 1.00 0.00 C ATOM 160 OH TYR A 10 -6.198 -17.062 2.089 1.00 0.00 O ATOM 0 H TYR A 10 -2.886 -23.302 -1.369 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.609 -20.750 -2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.695 -22.286 0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.218 -21.442 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.675 -20.621 -0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.425 -19.548 1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.033 -18.701 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.793 -17.631 2.816 1.00 0.00 H new ATOM 0 HH TYR A 10 -5.930 -16.892 3.016 1.00 0.00 H new ATOM 170 N MET A 11 -0.452 -20.832 -1.116 1.00 0.00 N ATOM 171 CA MET A 11 0.802 -20.101 -1.178 1.00 0.00 C ATOM 172 C MET A 11 1.022 -19.505 -2.571 1.00 0.00 C ATOM 173 O MET A 11 1.340 -18.325 -2.700 1.00 0.00 O ATOM 174 CB MET A 11 1.960 -21.042 -0.837 1.00 0.00 C ATOM 175 CG MET A 11 3.187 -20.256 -0.373 1.00 0.00 C ATOM 176 SD MET A 11 4.127 -21.224 0.795 1.00 0.00 S ATOM 177 CE MET A 11 3.341 -20.722 2.317 1.00 0.00 C ATOM 0 H MET A 11 -0.394 -21.740 -0.655 1.00 0.00 H new ATOM 0 HA MET A 11 0.760 -19.285 -0.456 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.651 -21.736 -0.055 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.216 -21.640 -1.711 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.810 -20.000 -1.230 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.876 -19.318 0.087 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.810 -21.237 3.156 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.450 -19.645 2.445 1.00 0.00 H new ATOM 0 HE3 MET A 11 2.282 -20.977 2.281 1.00 0.00 H new ATOM 187 N ALA A 12 0.843 -20.350 -3.576 1.00 0.00 N ATOM 188 CA ALA A 12 1.017 -19.921 -4.952 1.00 0.00 C ATOM 189 C ALA A 12 0.095 -18.733 -5.233 1.00 0.00 C ATOM 190 O ALA A 12 0.480 -17.795 -5.929 1.00 0.00 O ATOM 191 CB ALA A 12 0.750 -21.100 -5.892 1.00 0.00 C ATOM 0 H ALA A 12 0.579 -21.329 -3.464 1.00 0.00 H new ATOM 0 HA ALA A 12 2.042 -19.591 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.881 -20.778 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.449 -21.906 -5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.270 -21.456 -5.749 1.00 0.00 H new ATOM 197 N ALA A 13 -1.105 -18.811 -4.677 1.00 0.00 N ATOM 198 CA ALA A 13 -2.085 -17.754 -4.858 1.00 0.00 C ATOM 199 C ALA A 13 -1.631 -16.509 -4.094 1.00 0.00 C ATOM 200 O ALA A 13 -1.224 -15.518 -4.700 1.00 0.00 O ATOM 201 CB ALA A 13 -3.460 -18.248 -4.405 1.00 0.00 C ATOM 0 H ALA A 13 -1.421 -19.591 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.168 -17.483 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.195 -17.454 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.749 -19.115 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.418 -18.527 -3.352 1.00 0.00 H new ATOM 207 N ALA A 14 -1.718 -16.598 -2.775 1.00 0.00 N ATOM 208 CA ALA A 14 -1.322 -15.491 -1.922 1.00 0.00 C ATOM 209 C ALA A 14 -0.047 -14.853 -2.480 1.00 0.00 C ATOM 210 O ALA A 14 -0.048 -13.684 -2.858 1.00 0.00 O ATOM 211 CB ALA A 14 -1.145 -15.990 -0.487 1.00 0.00 C ATOM 0 H ALA A 14 -2.057 -17.420 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.095 -14.723 -1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.848 -15.159 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.086 -16.406 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.375 -16.761 -0.462 1.00 0.00 H new ATOM 217 N VAL A 15 1.010 -15.652 -2.513 1.00 0.00 N ATOM 218 CA VAL A 15 2.288 -15.181 -3.018 1.00 0.00 C ATOM 219 C VAL A 15 2.056 -14.336 -4.273 1.00 0.00 C ATOM 220 O VAL A 15 2.511 -13.196 -4.351 1.00 0.00 O ATOM 221 CB VAL A 15 3.224 -16.366 -3.260 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.494 -15.923 -3.989 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.566 -17.073 -1.946 1.00 0.00 C ATOM 0 H VAL A 15 1.007 -16.622 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 15 2.777 -14.543 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 15 2.702 -17.079 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.142 -16.785 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.228 -15.487 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.019 -15.181 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.233 -17.912 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.058 -16.371 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.651 -17.440 -1.482 1.00 0.00 H new ATOM 233 N MET A 16 1.348 -14.928 -5.222 1.00 0.00 N ATOM 234 CA MET A 16 1.050 -14.245 -6.470 1.00 0.00 C ATOM 235 C MET A 16 0.392 -12.889 -6.208 1.00 0.00 C ATOM 236 O MET A 16 0.802 -11.877 -6.774 1.00 0.00 O ATOM 237 CB MET A 16 0.115 -15.112 -7.316 1.00 0.00 C ATOM 238 CG MET A 16 -0.026 -14.545 -8.731 1.00 0.00 C ATOM 239 SD MET A 16 -1.743 -14.547 -9.220 1.00 0.00 S ATOM 240 CE MET A 16 -1.617 -15.382 -10.792 1.00 0.00 C ATOM 0 H MET A 16 0.971 -15.873 -5.153 1.00 0.00 H new ATOM 0 HA MET A 16 1.985 -14.077 -7.004 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.502 -16.130 -7.365 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.865 -15.166 -6.842 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.370 -13.530 -8.766 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.561 -15.140 -9.431 1.00 0.00 H new ATOM 0 HE1 MET A 16 -2.608 -15.469 -11.238 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.968 -14.811 -11.456 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.198 -16.377 -10.643 1.00 0.00 H new ATOM 250 N MET A 17 -0.618 -12.912 -5.350 1.00 0.00 N ATOM 251 CA MET A 17 -1.336 -11.698 -5.007 1.00 0.00 C ATOM 252 C MET A 17 -0.380 -10.623 -4.489 1.00 0.00 C ATOM 253 O MET A 17 -0.385 -9.493 -4.976 1.00 0.00 O ATOM 254 CB MET A 17 -2.383 -12.009 -3.935 1.00 0.00 C ATOM 255 CG MET A 17 -3.427 -12.998 -4.459 1.00 0.00 C ATOM 256 SD MET A 17 -4.315 -13.728 -3.094 1.00 0.00 S ATOM 257 CE MET A 17 -5.402 -12.376 -2.673 1.00 0.00 C ATOM 0 H MET A 17 -0.955 -13.753 -4.882 1.00 0.00 H new ATOM 0 HA MET A 17 -1.824 -11.321 -5.906 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.894 -12.424 -3.054 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.874 -11.087 -3.623 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.123 -12.487 -5.124 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.940 -13.777 -5.045 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.032 -12.664 -1.832 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.809 -11.504 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 17 -6.030 -12.133 -3.530 1.00 0.00 H new ATOM 267 N GLY A 18 0.420 -11.011 -3.505 1.00 0.00 N ATOM 268 CA GLY A 18 1.380 -10.094 -2.915 1.00 0.00 C ATOM 269 C GLY A 18 2.164 -9.350 -3.998 1.00 0.00 C ATOM 270 O GLY A 18 2.424 -8.155 -3.871 1.00 0.00 O ATOM 0 H GLY A 18 0.422 -11.948 -3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.860 -9.377 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.069 -10.645 -2.276 1.00 0.00 H new ATOM 274 N LEU A 19 2.520 -10.088 -5.039 1.00 0.00 N ATOM 275 CA LEU A 19 3.269 -9.513 -6.144 1.00 0.00 C ATOM 276 C LEU A 19 2.452 -8.384 -6.775 1.00 0.00 C ATOM 277 O LEU A 19 2.799 -7.212 -6.640 1.00 0.00 O ATOM 278 CB LEU A 19 3.683 -10.602 -7.135 1.00 0.00 C ATOM 279 CG LEU A 19 4.405 -11.812 -6.540 1.00 0.00 C ATOM 280 CD1 LEU A 19 5.104 -12.626 -7.631 1.00 0.00 C ATOM 281 CD2 LEU A 19 5.373 -11.385 -5.436 1.00 0.00 C ATOM 0 H LEU A 19 2.304 -11.080 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 19 4.199 -9.072 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.790 -10.955 -7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.330 -10.153 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 19 3.659 -12.462 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.609 -13.480 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.366 -12.980 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.836 -11.999 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.873 -12.265 -5.030 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.117 -10.703 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.820 -10.883 -4.642 1.00 0.00 H new ATOM 293 N ALA A 20 1.383 -8.777 -7.452 1.00 0.00 N ATOM 294 CA ALA A 20 0.514 -7.814 -8.105 1.00 0.00 C ATOM 295 C ALA A 20 0.239 -6.651 -7.149 1.00 0.00 C ATOM 296 O ALA A 20 0.584 -5.508 -7.440 1.00 0.00 O ATOM 297 CB ALA A 20 -0.770 -8.510 -8.562 1.00 0.00 C ATOM 0 H ALA A 20 1.099 -9.750 -7.562 1.00 0.00 H new ATOM 0 HA ALA A 20 0.995 -7.404 -8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.422 -7.786 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.522 -9.308 -9.262 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.282 -8.932 -7.698 1.00 0.00 H new ATOM 303 N ALA A 21 -0.381 -6.985 -6.026 1.00 0.00 N ATOM 304 CA ALA A 21 -0.708 -5.984 -5.025 1.00 0.00 C ATOM 305 C ALA A 21 0.476 -5.029 -4.861 1.00 0.00 C ATOM 306 O ALA A 21 0.325 -3.817 -5.008 1.00 0.00 O ATOM 307 CB ALA A 21 -1.083 -6.678 -3.713 1.00 0.00 C ATOM 0 H ALA A 21 -0.665 -7.935 -5.788 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.568 -5.393 -5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.328 -5.927 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.946 -7.323 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.242 -7.278 -3.365 1.00 0.00 H new ATOM 313 N ILE A 22 1.628 -5.610 -4.558 1.00 0.00 N ATOM 314 CA ILE A 22 2.837 -4.825 -4.372 1.00 0.00 C ATOM 315 C ILE A 22 2.985 -3.843 -5.536 1.00 0.00 C ATOM 316 O ILE A 22 3.240 -2.659 -5.324 1.00 0.00 O ATOM 317 CB ILE A 22 4.047 -5.743 -4.184 1.00 0.00 C ATOM 318 CG1 ILE A 22 4.047 -6.370 -2.788 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.350 -4.997 -4.478 1.00 0.00 C ATOM 320 CD1 ILE A 22 4.835 -7.681 -2.777 1.00 0.00 C ATOM 0 H ILE A 22 1.750 -6.615 -4.437 1.00 0.00 H new ATOM 0 HA ILE A 22 2.771 -4.232 -3.460 1.00 0.00 H new ATOM 0 HB ILE A 22 3.974 -6.559 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.483 -5.673 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.021 -6.555 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.195 -5.671 -4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.340 -4.638 -5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.445 -4.149 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.820 -8.106 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.382 -8.384 -3.476 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.866 -7.488 -3.074 1.00 0.00 H new ATOM 332 N GLY A 23 2.818 -4.371 -6.740 1.00 0.00 N ATOM 333 CA GLY A 23 2.930 -3.555 -7.937 1.00 0.00 C ATOM 334 C GLY A 23 2.103 -2.274 -7.807 1.00 0.00 C ATOM 335 O GLY A 23 2.653 -1.174 -7.799 1.00 0.00 O ATOM 0 H GLY A 23 2.606 -5.354 -6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.975 -3.301 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.591 -4.124 -8.803 1.00 0.00 H new ATOM 339 N ASP A 24 0.795 -2.460 -7.709 1.00 0.00 N ATOM 340 CA ASP A 24 -0.112 -1.333 -7.579 1.00 0.00 C ATOM 341 C ASP A 24 0.301 -0.486 -6.374 1.00 0.00 C ATOM 342 O ASP A 24 0.670 0.678 -6.526 1.00 0.00 O ATOM 343 CB ASP A 24 -1.550 -1.806 -7.353 1.00 0.00 C ATOM 344 CG ASP A 24 -2.633 -0.844 -7.845 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.343 0.146 -8.533 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.835 -1.146 -7.488 1.00 0.00 O ATOM 0 H ASP A 24 0.342 -3.374 -7.717 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.063 -0.754 -8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.683 -2.765 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.696 -1.979 -6.287 1.00 0.00 H new ATOM 352 N ALA A 25 0.225 -1.102 -5.204 1.00 0.00 N ATOM 353 CA ALA A 25 0.586 -0.420 -3.973 1.00 0.00 C ATOM 354 C ALA A 25 1.837 0.430 -4.215 1.00 0.00 C ATOM 355 O ALA A 25 2.024 1.462 -3.572 1.00 0.00 O ATOM 356 CB ALA A 25 0.788 -1.448 -2.858 1.00 0.00 C ATOM 0 H ALA A 25 -0.082 -2.067 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.214 0.250 -3.657 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.059 -0.935 -1.935 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.136 -2.006 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.585 -2.136 -3.138 1.00 0.00 H new ATOM 362 N ILE A 26 2.659 -0.036 -5.143 1.00 0.00 N ATOM 363 CA ILE A 26 3.885 0.668 -5.477 1.00 0.00 C ATOM 364 C ILE A 26 3.558 1.847 -6.395 1.00 0.00 C ATOM 365 O ILE A 26 3.972 2.975 -6.134 1.00 0.00 O ATOM 366 CB ILE A 26 4.916 -0.300 -6.064 1.00 0.00 C ATOM 367 CG1 ILE A 26 5.866 -0.813 -4.980 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.669 0.342 -7.230 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.245 -1.127 -5.563 1.00 0.00 C ATOM 0 H ILE A 26 2.500 -0.892 -5.674 1.00 0.00 H new ATOM 0 HA ILE A 26 4.343 1.081 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 26 4.385 -1.165 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.962 -0.066 -4.192 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.449 -1.709 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.395 -0.367 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.962 0.616 -8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.188 1.235 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.901 -1.490 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.149 -1.892 -6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.670 -0.223 -6.000 1.00 0.00 H new ATOM 381 N GLY A 27 2.817 1.546 -7.452 1.00 0.00 N ATOM 382 CA GLY A 27 2.429 2.567 -8.409 1.00 0.00 C ATOM 383 C GLY A 27 2.185 3.907 -7.713 1.00 0.00 C ATOM 384 O GLY A 27 2.645 4.948 -8.182 1.00 0.00 O ATOM 0 H GLY A 27 2.475 0.609 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.210 2.681 -9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.525 2.255 -8.932 1.00 0.00 H new ATOM 388 N ILE A 28 1.462 3.839 -6.605 1.00 0.00 N ATOM 389 CA ILE A 28 1.150 5.034 -5.839 1.00 0.00 C ATOM 390 C ILE A 28 2.392 5.472 -5.060 1.00 0.00 C ATOM 391 O ILE A 28 2.789 6.635 -5.119 1.00 0.00 O ATOM 392 CB ILE A 28 -0.079 4.802 -4.958 1.00 0.00 C ATOM 393 CG1 ILE A 28 -0.991 3.732 -5.562 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.825 6.113 -4.702 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.762 2.375 -4.894 1.00 0.00 C ATOM 0 H ILE A 28 1.083 2.974 -6.219 1.00 0.00 H new ATOM 0 HA ILE A 28 0.884 5.855 -6.505 1.00 0.00 H new ATOM 0 HB ILE A 28 0.258 4.430 -3.991 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.033 4.028 -5.443 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.803 3.651 -6.633 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.694 5.920 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.162 6.817 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.151 6.538 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.423 1.633 -5.342 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.275 2.070 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.975 2.454 -3.828 1.00 0.00 H new ATOM 407 N GLY A 29 2.970 4.518 -4.345 1.00 0.00 N ATOM 408 CA GLY A 29 4.158 4.790 -3.554 1.00 0.00 C ATOM 409 C GLY A 29 5.163 5.629 -4.346 1.00 0.00 C ATOM 410 O GLY A 29 5.634 6.658 -3.865 1.00 0.00 O ATOM 0 H GLY A 29 2.637 3.555 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.879 5.316 -2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.621 3.851 -3.252 1.00 0.00 H new ATOM 414 N ILE A 30 5.464 5.157 -5.547 1.00 0.00 N ATOM 415 CA ILE A 30 6.404 5.850 -6.411 1.00 0.00 C ATOM 416 C ILE A 30 5.791 7.176 -6.865 1.00 0.00 C ATOM 417 O ILE A 30 6.508 8.151 -7.089 1.00 0.00 O ATOM 418 CB ILE A 30 6.837 4.946 -7.566 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.569 3.706 -7.048 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.676 5.721 -8.585 1.00 0.00 C ATOM 421 CD1 ILE A 30 9.031 4.025 -6.731 1.00 0.00 C ATOM 0 H ILE A 30 5.073 4.302 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 30 7.316 6.090 -5.865 1.00 0.00 H new ATOM 0 HB ILE A 30 5.941 4.600 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.072 3.334 -6.152 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.520 2.912 -7.793 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.971 5.055 -9.396 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.088 6.545 -8.988 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.567 6.116 -8.097 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.528 3.127 -6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.531 4.374 -7.634 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.077 4.802 -5.968 1.00 0.00 H new ATOM 433 N LEU A 31 4.472 7.171 -6.986 1.00 0.00 N ATOM 434 CA LEU A 31 3.755 8.362 -7.408 1.00 0.00 C ATOM 435 C LEU A 31 4.057 9.506 -6.437 1.00 0.00 C ATOM 436 O LEU A 31 4.333 10.627 -6.860 1.00 0.00 O ATOM 437 CB LEU A 31 2.262 8.063 -7.561 1.00 0.00 C ATOM 438 CG LEU A 31 1.583 8.651 -8.799 1.00 0.00 C ATOM 439 CD1 LEU A 31 0.175 8.081 -8.975 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.581 10.180 -8.750 1.00 0.00 C ATOM 0 H LEU A 31 3.881 6.361 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 31 4.095 8.682 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.128 6.981 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.745 8.435 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 31 2.160 8.358 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.285 8.516 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.232 6.999 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.427 8.322 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.092 10.572 -9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.042 10.515 -7.864 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.608 10.544 -8.709 1.00 0.00 H new ATOM 452 N GLY A 32 3.994 9.182 -5.154 1.00 0.00 N ATOM 453 CA GLY A 32 4.257 10.168 -4.120 1.00 0.00 C ATOM 454 C GLY A 32 5.574 10.901 -4.383 1.00 0.00 C ATOM 455 O GLY A 32 5.691 12.093 -4.107 1.00 0.00 O ATOM 0 H GLY A 32 3.765 8.251 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.438 10.887 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.297 9.678 -3.147 1.00 0.00 H new ATOM 459 N GLY A 33 6.532 10.156 -4.914 1.00 0.00 N ATOM 460 CA GLY A 33 7.836 10.721 -5.218 1.00 0.00 C ATOM 461 C GLY A 33 7.817 11.457 -6.559 1.00 0.00 C ATOM 462 O GLY A 33 8.462 12.492 -6.712 1.00 0.00 O ATOM 0 H GLY A 33 6.432 9.167 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.131 11.409 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.582 9.927 -5.246 1.00 0.00 H new ATOM 466 N LYS A 34 7.069 10.893 -7.496 1.00 0.00 N ATOM 467 CA LYS A 34 6.956 11.484 -8.819 1.00 0.00 C ATOM 468 C LYS A 34 6.031 12.701 -8.752 1.00 0.00 C ATOM 469 O LYS A 34 5.828 13.386 -9.753 1.00 0.00 O ATOM 470 CB LYS A 34 6.516 10.432 -9.839 1.00 0.00 C ATOM 471 CG LYS A 34 6.862 10.872 -11.264 1.00 0.00 C ATOM 472 CD LYS A 34 6.580 9.751 -12.267 1.00 0.00 C ATOM 473 CE LYS A 34 7.808 8.858 -12.449 1.00 0.00 C ATOM 474 NZ LYS A 34 7.994 8.518 -13.877 1.00 0.00 N ATOM 0 H LYS A 34 6.535 10.034 -7.366 1.00 0.00 H new ATOM 0 HA LYS A 34 7.927 11.840 -9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.003 9.482 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.442 10.267 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.280 11.755 -11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.913 11.156 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.738 9.152 -11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.293 10.180 -13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.695 9.368 -12.072 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.692 7.946 -11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.832 7.911 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.154 8.013 -14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.126 9.391 -14.427 1.00 0.00 H new ATOM 488 N PHE A 35 5.494 12.932 -7.563 1.00 0.00 N ATOM 489 CA PHE A 35 4.596 14.055 -7.354 1.00 0.00 C ATOM 490 C PHE A 35 5.357 15.277 -6.838 1.00 0.00 C ATOM 491 O PHE A 35 5.010 16.412 -7.163 1.00 0.00 O ATOM 492 CB PHE A 35 3.578 13.621 -6.298 1.00 0.00 C ATOM 493 CG PHE A 35 2.247 14.372 -6.370 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.643 14.570 -7.573 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.668 14.843 -5.233 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.407 15.268 -7.640 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.434 15.541 -5.300 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.171 15.738 -6.502 1.00 0.00 C ATOM 0 H PHE A 35 5.663 12.361 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 35 4.117 14.329 -8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.387 12.554 -6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.012 13.766 -5.309 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.103 14.197 -8.476 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.148 14.686 -4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.073 15.425 -8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.024 15.916 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.111 16.268 -6.553 1.00 0.00 H new ATOM 508 N LEU A 36 6.382 15.006 -6.043 1.00 0.00 N ATOM 509 CA LEU A 36 7.195 16.070 -5.478 1.00 0.00 C ATOM 510 C LEU A 36 7.539 17.079 -6.576 1.00 0.00 C ATOM 511 O LEU A 36 7.179 18.251 -6.482 1.00 0.00 O ATOM 512 CB LEU A 36 8.421 15.489 -4.771 1.00 0.00 C ATOM 513 CG LEU A 36 8.659 15.972 -3.338 1.00 0.00 C ATOM 514 CD1 LEU A 36 9.879 15.284 -2.724 1.00 0.00 C ATOM 515 CD2 LEU A 36 8.773 17.497 -3.285 1.00 0.00 C ATOM 0 H LEU A 36 6.668 14.064 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 36 6.639 16.609 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.327 14.403 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.304 15.725 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 36 7.795 15.693 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.026 15.645 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.719 14.206 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.763 15.510 -3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.942 17.814 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.608 17.821 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.850 17.944 -3.655 1.00 0.00 H new ATOM 527 N GLU A 37 8.232 16.586 -7.592 1.00 0.00 N ATOM 528 CA GLU A 37 8.629 17.430 -8.706 1.00 0.00 C ATOM 529 C GLU A 37 7.396 18.037 -9.377 1.00 0.00 C ATOM 530 O GLU A 37 7.407 19.204 -9.766 1.00 0.00 O ATOM 531 CB GLU A 37 9.471 16.645 -9.715 1.00 0.00 C ATOM 532 CG GLU A 37 10.964 16.904 -9.501 1.00 0.00 C ATOM 533 CD GLU A 37 11.682 15.630 -9.053 1.00 0.00 C ATOM 534 OE1 GLU A 37 11.689 14.631 -9.788 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.249 15.701 -7.895 1.00 0.00 O ATOM 0 H GLU A 37 8.529 15.613 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 37 9.246 18.242 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.265 15.579 -9.615 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.190 16.930 -10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.409 17.271 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.098 17.684 -8.751 1.00 0.00 H new ATOM 543 N GLY A 38 6.360 17.218 -9.494 1.00 0.00 N ATOM 544 CA GLY A 38 5.122 17.660 -10.111 1.00 0.00 C ATOM 545 C GLY A 38 4.518 18.841 -9.346 1.00 0.00 C ATOM 546 O GLY A 38 4.319 19.915 -9.912 1.00 0.00 O ATOM 0 H GLY A 38 6.354 16.250 -9.171 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.310 17.950 -11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.409 16.836 -10.136 1.00 0.00 H new ATOM 550 N ALA A 39 4.246 18.601 -8.073 1.00 0.00 N ATOM 551 CA ALA A 39 3.669 19.630 -7.224 1.00 0.00 C ATOM 552 C ALA A 39 4.635 20.814 -7.138 1.00 0.00 C ATOM 553 O ALA A 39 4.223 21.936 -6.847 1.00 0.00 O ATOM 554 CB ALA A 39 3.349 19.038 -5.849 1.00 0.00 C ATOM 0 H ALA A 39 4.414 17.709 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 39 2.734 19.997 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.916 19.810 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.638 18.220 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.265 18.662 -5.392 1.00 0.00 H new ATOM 560 N ALA A 40 5.902 20.523 -7.396 1.00 0.00 N ATOM 561 CA ALA A 40 6.930 21.549 -7.351 1.00 0.00 C ATOM 562 C ALA A 40 6.460 22.769 -8.147 1.00 0.00 C ATOM 563 O ALA A 40 6.914 23.886 -7.903 1.00 0.00 O ATOM 564 CB ALA A 40 8.246 20.977 -7.882 1.00 0.00 C ATOM 0 H ALA A 40 6.240 19.591 -7.637 1.00 0.00 H new ATOM 0 HA ALA A 40 7.106 21.872 -6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.017 21.747 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.550 20.131 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.109 20.645 -8.911 1.00 0.00 H new ATOM 570 N ARG A 41 5.558 22.514 -9.083 1.00 0.00 N ATOM 571 CA ARG A 41 5.023 23.578 -9.916 1.00 0.00 C ATOM 572 C ARG A 41 4.342 24.639 -9.049 1.00 0.00 C ATOM 573 O ARG A 41 4.393 25.827 -9.363 1.00 0.00 O ATOM 574 CB ARG A 41 4.013 23.029 -10.927 1.00 0.00 C ATOM 575 CG ARG A 41 4.655 22.863 -12.306 1.00 0.00 C ATOM 576 CD ARG A 41 5.564 21.632 -12.342 1.00 0.00 C ATOM 577 NE ARG A 41 6.546 21.760 -13.442 1.00 0.00 N ATOM 578 CZ ARG A 41 7.242 20.727 -13.960 1.00 0.00 C ATOM 579 NH1 ARG A 41 7.068 19.476 -13.482 1.00 0.00 N ATOM 580 NH2 ARG A 41 8.095 20.957 -14.942 1.00 0.00 N ATOM 0 H ARG A 41 5.184 21.586 -9.283 1.00 0.00 H new ATOM 0 HA ARG A 41 5.856 24.027 -10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.632 22.068 -10.581 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.160 23.704 -10.998 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.878 22.768 -13.064 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.233 23.754 -12.552 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.084 21.526 -11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.965 20.732 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 41 6.707 22.688 -13.833 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.407 19.307 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.598 18.700 -13.879 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.220 21.905 -15.298 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.629 20.187 -15.345 1.00 0.00 H new ATOM 594 N GLN A 42 3.719 24.171 -7.978 1.00 0.00 N ATOM 595 CA GLN A 42 3.029 25.065 -7.064 1.00 0.00 C ATOM 596 C GLN A 42 3.617 24.944 -5.656 1.00 0.00 C ATOM 597 O GLN A 42 3.583 23.871 -5.055 1.00 0.00 O ATOM 598 CB GLN A 42 1.524 24.784 -7.054 1.00 0.00 C ATOM 599 CG GLN A 42 1.246 23.280 -7.095 1.00 0.00 C ATOM 600 CD GLN A 42 0.971 22.811 -8.524 1.00 0.00 C ATOM 601 OE1 GLN A 42 1.903 22.002 -9.018 1.00 0.00 O flip ATOM 602 NE2 GLN A 42 -0.024 23.161 -9.138 1.00 0.00 N flip ATOM 0 H GLN A 42 3.678 23.184 -7.723 1.00 0.00 H new ATOM 0 HA GLN A 42 3.173 26.088 -7.411 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.076 25.216 -6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.055 25.268 -7.911 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.100 22.738 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.390 23.048 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.701 23.785 -8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.178 22.830 -10.090 1.00 0.00 H new ATOM 611 N PRO A 43 4.158 26.089 -5.160 1.00 0.00 N ATOM 612 CA PRO A 43 4.754 26.122 -3.835 1.00 0.00 C ATOM 613 C PRO A 43 3.676 26.119 -2.749 1.00 0.00 C ATOM 614 O PRO A 43 3.988 26.151 -1.560 1.00 0.00 O ATOM 615 CB PRO A 43 5.609 27.378 -3.820 1.00 0.00 C ATOM 616 CG PRO A 43 5.100 28.244 -4.961 1.00 0.00 C ATOM 617 CD PRO A 43 4.217 27.377 -5.844 1.00 0.00 C ATOM 0 HA PRO A 43 5.360 25.241 -3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.522 27.898 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.663 27.134 -3.955 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.537 29.093 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.934 28.649 -5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.223 27.811 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.637 27.275 -6.845 1.00 0.00 H new ATOM 625 N ASP A 44 2.430 26.082 -3.197 1.00 0.00 N ATOM 626 CA ASP A 44 1.304 26.074 -2.279 1.00 0.00 C ATOM 627 C ASP A 44 0.770 24.647 -2.144 1.00 0.00 C ATOM 628 O ASP A 44 -0.309 24.433 -1.594 1.00 0.00 O ATOM 629 CB ASP A 44 0.166 26.958 -2.794 1.00 0.00 C ATOM 630 CG ASP A 44 -0.174 28.158 -1.907 1.00 0.00 C ATOM 631 OD1 ASP A 44 0.381 29.253 -2.075 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.061 27.929 -0.999 1.00 0.00 O ATOM 0 H ASP A 44 2.175 26.057 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 44 1.651 26.456 -1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.430 27.323 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.728 26.344 -2.907 1.00 0.00 H new ATOM 638 N LEU A 45 1.550 23.706 -2.657 1.00 0.00 N ATOM 639 CA LEU A 45 1.169 22.306 -2.601 1.00 0.00 C ATOM 640 C LEU A 45 2.346 21.482 -2.074 1.00 0.00 C ATOM 641 O LEU A 45 2.437 20.284 -2.336 1.00 0.00 O ATOM 642 CB LEU A 45 0.652 21.837 -3.962 1.00 0.00 C ATOM 643 CG LEU A 45 -0.855 21.974 -4.190 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.208 23.374 -4.695 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.371 20.880 -5.125 1.00 0.00 C ATOM 0 H LEU A 45 2.444 23.887 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 45 0.342 22.164 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.170 22.400 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.925 20.790 -4.091 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.358 21.841 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.285 23.445 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.897 24.115 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.694 23.561 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.445 21.001 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.865 20.955 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.172 19.902 -4.686 1.00 0.00 H new ATOM 657 N ILE A 46 3.220 22.158 -1.341 1.00 0.00 N ATOM 658 CA ILE A 46 4.387 21.504 -0.776 1.00 0.00 C ATOM 659 C ILE A 46 3.962 20.668 0.434 1.00 0.00 C ATOM 660 O ILE A 46 4.282 19.483 0.516 1.00 0.00 O ATOM 661 CB ILE A 46 5.476 22.530 -0.461 1.00 0.00 C ATOM 662 CG1 ILE A 46 6.497 22.613 -1.597 1.00 0.00 C ATOM 663 CG2 ILE A 46 6.140 22.231 0.885 1.00 0.00 C ATOM 664 CD1 ILE A 46 7.199 21.269 -1.802 1.00 0.00 C ATOM 0 H ILE A 46 3.142 23.152 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 46 4.827 20.818 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 46 5.006 23.510 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.997 22.911 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.235 23.382 -1.372 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.910 22.976 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.390 22.264 1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.593 21.240 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.920 21.355 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.718 20.986 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.460 20.507 -2.051 1.00 0.00 H new ATOM 676 N PRO A 47 3.230 21.335 1.365 1.00 0.00 N ATOM 677 CA PRO A 47 2.757 20.666 2.566 1.00 0.00 C ATOM 678 C PRO A 47 1.580 19.742 2.251 1.00 0.00 C ATOM 679 O PRO A 47 1.204 18.907 3.073 1.00 0.00 O ATOM 680 CB PRO A 47 2.391 21.789 3.522 1.00 0.00 C ATOM 681 CG PRO A 47 2.232 23.034 2.664 1.00 0.00 C ATOM 682 CD PRO A 47 2.832 22.739 1.300 1.00 0.00 C ATOM 0 HA PRO A 47 3.509 20.013 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.468 21.562 4.055 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.167 21.930 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.179 23.300 2.569 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.735 23.883 3.127 1.00 0.00 H new ATOM 0 HD2 PRO A 47 2.107 22.909 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.687 23.384 1.096 1.00 0.00 H new ATOM 690 N LEU A 48 1.029 19.922 1.060 1.00 0.00 N ATOM 691 CA LEU A 48 -0.098 19.113 0.626 1.00 0.00 C ATOM 692 C LEU A 48 0.418 17.801 0.032 1.00 0.00 C ATOM 693 O LEU A 48 0.156 16.727 0.571 1.00 0.00 O ATOM 694 CB LEU A 48 -0.993 19.909 -0.327 1.00 0.00 C ATOM 695 CG LEU A 48 -2.114 20.720 0.326 1.00 0.00 C ATOM 696 CD1 LEU A 48 -2.998 19.828 1.201 1.00 0.00 C ATOM 697 CD2 LEU A 48 -1.548 21.908 1.106 1.00 0.00 C ATOM 0 H LEU A 48 1.342 20.616 0.381 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.728 18.852 1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.364 20.591 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.441 19.215 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.747 21.125 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.787 20.429 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.445 19.045 0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.393 19.374 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.366 22.468 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.879 21.545 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.996 22.559 0.428 1.00 0.00 H new ATOM 709 N LEU A 49 1.143 17.932 -1.068 1.00 0.00 N ATOM 710 CA LEU A 49 1.699 16.769 -1.741 1.00 0.00 C ATOM 711 C LEU A 49 2.352 15.851 -0.706 1.00 0.00 C ATOM 712 O LEU A 49 2.307 14.629 -0.840 1.00 0.00 O ATOM 713 CB LEU A 49 2.646 17.201 -2.863 1.00 0.00 C ATOM 714 CG LEU A 49 4.141 17.101 -2.555 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.727 15.799 -3.105 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.891 18.330 -3.072 1.00 0.00 C ATOM 0 H LEU A 49 1.359 18.825 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 49 0.909 16.195 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.435 16.594 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.418 18.234 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 49 4.266 17.080 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.791 15.752 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.218 14.950 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.590 15.766 -4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.952 18.233 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.761 18.408 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.495 19.226 -2.593 1.00 0.00 H new ATOM 728 N ARG A 50 2.942 16.474 0.302 1.00 0.00 N ATOM 729 CA ARG A 50 3.603 15.727 1.360 1.00 0.00 C ATOM 730 C ARG A 50 2.567 15.026 2.241 1.00 0.00 C ATOM 731 O ARG A 50 2.689 13.835 2.521 1.00 0.00 O ATOM 732 CB ARG A 50 4.464 16.646 2.228 1.00 0.00 C ATOM 733 CG ARG A 50 5.685 15.902 2.771 1.00 0.00 C ATOM 734 CD ARG A 50 6.879 16.847 2.929 1.00 0.00 C ATOM 735 NE ARG A 50 6.640 17.781 4.052 1.00 0.00 N ATOM 736 CZ ARG A 50 7.553 18.663 4.509 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.776 18.740 3.942 1.00 0.00 N ATOM 738 NH2 ARG A 50 7.233 19.450 5.520 1.00 0.00 N ATOM 0 H ARG A 50 2.977 17.488 0.410 1.00 0.00 H new ATOM 0 HA ARG A 50 4.247 14.984 0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.789 17.506 1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.870 17.031 3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.443 15.453 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.948 15.087 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.787 16.272 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.035 17.407 2.007 1.00 0.00 H new ATOM 0 HE ARG A 50 5.728 17.756 4.509 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.016 18.128 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.460 19.410 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.307 19.386 5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.912 20.122 5.878 1.00 0.00 H new ATOM 752 N THR A 51 1.572 15.797 2.656 1.00 0.00 N ATOM 753 CA THR A 51 0.516 15.265 3.501 1.00 0.00 C ATOM 754 C THR A 51 -0.165 14.077 2.818 1.00 0.00 C ATOM 755 O THR A 51 -0.214 12.981 3.375 1.00 0.00 O ATOM 756 CB THR A 51 -0.446 16.408 3.830 1.00 0.00 C ATOM 757 OG1 THR A 51 0.323 17.281 4.655 1.00 0.00 O ATOM 758 CG2 THR A 51 -1.598 15.961 4.733 1.00 0.00 C ATOM 0 H THR A 51 1.475 16.785 2.423 1.00 0.00 H new ATOM 0 HA THR A 51 0.916 14.877 4.438 1.00 0.00 H new ATOM 0 HB THR A 51 -0.849 16.822 2.906 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.901 17.838 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.251 16.810 4.936 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.167 15.176 4.235 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.197 15.579 5.672 1.00 0.00 H new ATOM 766 N GLN A 52 -0.673 14.333 1.622 1.00 0.00 N ATOM 767 CA GLN A 52 -1.349 13.298 0.859 1.00 0.00 C ATOM 768 C GLN A 52 -0.416 12.106 0.639 1.00 0.00 C ATOM 769 O GLN A 52 -0.851 10.956 0.686 1.00 0.00 O ATOM 770 CB GLN A 52 -1.860 13.846 -0.475 1.00 0.00 C ATOM 771 CG GLN A 52 -0.776 14.662 -1.185 1.00 0.00 C ATOM 772 CD GLN A 52 -0.414 14.038 -2.533 1.00 0.00 C ATOM 773 OE1 GLN A 52 -1.459 13.810 -3.323 1.00 0.00 O flip ATOM 774 NE2 GLN A 52 0.739 13.778 -2.836 1.00 0.00 N flip ATOM 0 H GLN A 52 -0.630 15.243 1.162 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.213 12.959 1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.176 13.021 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.737 14.471 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.125 15.684 -1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.112 14.718 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.496 13.979 -2.182 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.946 13.360 -3.743 1.00 0.00 H new ATOM 783 N PHE A 53 0.850 12.420 0.405 1.00 0.00 N ATOM 784 CA PHE A 53 1.848 11.388 0.179 1.00 0.00 C ATOM 785 C PHE A 53 1.970 10.469 1.395 1.00 0.00 C ATOM 786 O PHE A 53 1.691 9.274 1.304 1.00 0.00 O ATOM 787 CB PHE A 53 3.183 12.100 -0.044 1.00 0.00 C ATOM 788 CG PHE A 53 4.407 11.253 0.312 1.00 0.00 C ATOM 789 CD1 PHE A 53 4.661 10.104 -0.373 1.00 0.00 C ATOM 790 CD2 PHE A 53 5.240 11.646 1.312 1.00 0.00 C ATOM 791 CE1 PHE A 53 5.796 9.318 -0.044 1.00 0.00 C ATOM 792 CE2 PHE A 53 6.376 10.859 1.641 1.00 0.00 C ATOM 793 CZ PHE A 53 6.629 9.712 0.957 1.00 0.00 C ATOM 0 H PHE A 53 1.208 13.375 0.367 1.00 0.00 H new ATOM 0 HA PHE A 53 1.565 10.776 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.253 12.400 -1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.200 13.013 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.999 9.791 -1.167 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.038 12.557 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.998 8.407 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.038 11.172 2.434 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.492 9.113 1.208 1.00 0.00 H new ATOM 803 N PHE A 54 2.387 11.060 2.506 1.00 0.00 N ATOM 804 CA PHE A 54 2.550 10.308 3.737 1.00 0.00 C ATOM 805 C PHE A 54 1.444 9.261 3.892 1.00 0.00 C ATOM 806 O PHE A 54 1.725 8.072 4.032 1.00 0.00 O ATOM 807 CB PHE A 54 2.451 11.310 4.890 1.00 0.00 C ATOM 808 CG PHE A 54 3.342 10.973 6.086 1.00 0.00 C ATOM 809 CD1 PHE A 54 4.695 11.046 5.969 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.782 10.599 7.268 1.00 0.00 C ATOM 811 CE1 PHE A 54 5.522 10.733 7.080 1.00 0.00 C ATOM 812 CE2 PHE A 54 3.609 10.286 8.379 1.00 0.00 C ATOM 813 CZ PHE A 54 4.962 10.360 8.260 1.00 0.00 C ATOM 0 H PHE A 54 2.617 12.051 2.578 1.00 0.00 H new ATOM 0 HA PHE A 54 3.508 9.788 3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.716 12.301 4.520 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.415 11.361 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.141 11.342 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.708 10.540 7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.596 10.792 6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.164 9.990 9.317 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.592 10.122 9.105 1.00 0.00 H new ATOM 823 N ILE A 55 0.210 9.741 3.859 1.00 0.00 N ATOM 824 CA ILE A 55 -0.939 8.862 3.993 1.00 0.00 C ATOM 825 C ILE A 55 -0.833 7.732 2.967 1.00 0.00 C ATOM 826 O ILE A 55 -0.942 6.558 3.318 1.00 0.00 O ATOM 827 CB ILE A 55 -2.240 9.662 3.895 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.282 10.771 4.947 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.458 8.740 3.985 1.00 0.00 C ATOM 830 CD1 ILE A 55 -2.555 12.131 4.300 1.00 0.00 C ATOM 0 H ILE A 55 -0.020 10.728 3.741 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.951 8.398 4.979 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.272 10.144 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.057 10.551 5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.334 10.804 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.370 9.333 3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.429 8.018 3.169 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.444 8.211 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.580 12.902 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.765 12.358 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.515 12.102 3.784 1.00 0.00 H new ATOM 842 N VAL A 56 -0.623 8.126 1.719 1.00 0.00 N ATOM 843 CA VAL A 56 -0.501 7.161 0.641 1.00 0.00 C ATOM 844 C VAL A 56 0.599 6.154 0.983 1.00 0.00 C ATOM 845 O VAL A 56 0.550 5.004 0.551 1.00 0.00 O ATOM 846 CB VAL A 56 -0.256 7.886 -0.685 1.00 0.00 C ATOM 847 CG1 VAL A 56 -0.054 6.887 -1.826 1.00 0.00 C ATOM 848 CG2 VAL A 56 -1.398 8.853 -0.999 1.00 0.00 C ATOM 0 H VAL A 56 -0.534 9.101 1.431 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.429 6.601 0.524 1.00 0.00 H new ATOM 0 HB VAL A 56 0.659 8.470 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.118 7.428 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.807 6.256 -1.608 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.943 6.265 -1.927 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.200 9.355 -1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.334 8.299 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.476 9.595 -0.204 1.00 0.00 H new ATOM 858 N MET A 57 1.566 6.624 1.758 1.00 0.00 N ATOM 859 CA MET A 57 2.676 5.779 2.164 1.00 0.00 C ATOM 860 C MET A 57 2.184 4.579 2.975 1.00 0.00 C ATOM 861 O MET A 57 2.413 3.431 2.595 1.00 0.00 O ATOM 862 CB MET A 57 3.658 6.596 3.007 1.00 0.00 C ATOM 863 CG MET A 57 5.084 6.066 2.854 1.00 0.00 C ATOM 864 SD MET A 57 6.259 7.373 3.172 1.00 0.00 S ATOM 865 CE MET A 57 7.272 6.584 4.411 1.00 0.00 C ATOM 0 H MET A 57 1.604 7.579 2.115 1.00 0.00 H new ATOM 0 HA MET A 57 3.173 5.409 1.267 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.621 7.642 2.703 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.362 6.557 4.055 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.250 5.240 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.229 5.673 1.848 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.062 7.267 4.724 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.657 6.323 5.272 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.717 5.680 3.995 1.00 0.00 H new ATOM 875 N GLY A 58 1.516 4.884 4.078 1.00 0.00 N ATOM 876 CA GLY A 58 0.990 3.844 4.946 1.00 0.00 C ATOM 877 C GLY A 58 -0.091 3.029 4.232 1.00 0.00 C ATOM 878 O GLY A 58 -0.082 1.801 4.282 1.00 0.00 O ATOM 0 H GLY A 58 1.327 5.836 4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.799 3.185 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.575 4.294 5.848 1.00 0.00 H new ATOM 882 N LEU A 59 -0.997 3.747 3.584 1.00 0.00 N ATOM 883 CA LEU A 59 -2.082 3.106 2.860 1.00 0.00 C ATOM 884 C LEU A 59 -1.498 2.154 1.813 1.00 0.00 C ATOM 885 O LEU A 59 -2.036 1.072 1.584 1.00 0.00 O ATOM 886 CB LEU A 59 -3.031 4.154 2.277 1.00 0.00 C ATOM 887 CG LEU A 59 -4.391 3.640 1.805 1.00 0.00 C ATOM 888 CD1 LEU A 59 -5.283 4.792 1.340 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.228 2.569 0.725 1.00 0.00 C ATOM 0 H LEU A 59 -1.002 4.766 3.545 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.688 2.504 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.198 4.923 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.535 4.636 1.434 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.890 3.170 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.244 4.398 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.440 5.487 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.802 5.314 0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.211 2.220 0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.699 2.991 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.658 1.731 1.127 1.00 0.00 H new ATOM 901 N VAL A 60 -0.407 2.594 1.204 1.00 0.00 N ATOM 902 CA VAL A 60 0.255 1.795 0.186 1.00 0.00 C ATOM 903 C VAL A 60 0.747 0.487 0.810 1.00 0.00 C ATOM 904 O VAL A 60 0.658 -0.572 0.191 1.00 0.00 O ATOM 905 CB VAL A 60 1.376 2.604 -0.468 1.00 0.00 C ATOM 906 CG1 VAL A 60 2.467 1.685 -1.022 1.00 0.00 C ATOM 907 CG2 VAL A 60 0.825 3.522 -1.561 1.00 0.00 C ATOM 0 H VAL A 60 0.035 3.493 1.395 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.444 1.534 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 60 1.827 3.232 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.251 2.287 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.892 1.094 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.036 1.019 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.643 4.086 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.335 2.922 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.104 4.214 -1.126 1.00 0.00 H new ATOM 917 N ASN A 61 1.255 0.605 2.028 1.00 0.00 N ATOM 918 CA ASN A 61 1.762 -0.554 2.743 1.00 0.00 C ATOM 919 C ASN A 61 0.596 -1.281 3.417 1.00 0.00 C ATOM 920 O ASN A 61 0.780 -2.350 3.998 1.00 0.00 O ATOM 921 CB ASN A 61 2.754 -0.140 3.832 1.00 0.00 C ATOM 922 CG ASN A 61 4.183 -0.111 3.288 1.00 0.00 C ATOM 923 OD1 ASN A 61 4.291 0.428 2.076 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 5.127 -0.548 3.927 1.00 0.00 N flip ATOM 0 H ASN A 61 1.326 1.486 2.538 1.00 0.00 H new ATOM 0 HA ASN A 61 2.266 -1.200 2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.487 0.844 4.217 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.693 -0.836 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.975 -0.949 4.852 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.068 -0.512 3.535 1.00 0.00 H new ATOM 931 N ALA A 62 -0.576 -0.674 3.317 1.00 0.00 N ATOM 932 CA ALA A 62 -1.770 -1.250 3.909 1.00 0.00 C ATOM 933 C ALA A 62 -2.459 -2.153 2.884 1.00 0.00 C ATOM 934 O ALA A 62 -3.214 -3.052 3.250 1.00 0.00 O ATOM 935 CB ALA A 62 -2.686 -0.130 4.407 1.00 0.00 C ATOM 0 H ALA A 62 -0.724 0.212 2.834 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.511 -1.866 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.582 -0.563 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.161 0.464 5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.968 0.508 3.570 1.00 0.00 H new ATOM 941 N ILE A 63 -2.174 -1.881 1.619 1.00 0.00 N ATOM 942 CA ILE A 63 -2.757 -2.658 0.537 1.00 0.00 C ATOM 943 C ILE A 63 -2.310 -4.115 0.664 1.00 0.00 C ATOM 944 O ILE A 63 -3.141 -5.021 0.706 1.00 0.00 O ATOM 945 CB ILE A 63 -2.422 -2.027 -0.816 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.573 -1.150 -1.312 1.00 0.00 C ATOM 947 CG2 ILE A 63 -2.035 -3.098 -1.839 1.00 0.00 C ATOM 948 CD1 ILE A 63 -3.365 -0.747 -2.774 1.00 0.00 C ATOM 0 H ILE A 63 -1.548 -1.134 1.319 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.845 -2.651 0.605 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.556 -1.378 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.515 -1.688 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.648 -0.257 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.802 -2.623 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.162 -3.644 -1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.866 -3.791 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.197 -0.124 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.434 -0.188 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.315 -1.642 -3.395 1.00 0.00 H new ATOM 960 N PRO A 64 -0.964 -4.301 0.721 1.00 0.00 N ATOM 961 CA PRO A 64 -0.397 -5.633 0.842 1.00 0.00 C ATOM 962 C PRO A 64 -0.567 -6.175 2.264 1.00 0.00 C ATOM 963 O PRO A 64 -0.971 -7.322 2.450 1.00 0.00 O ATOM 964 CB PRO A 64 1.060 -5.479 0.437 1.00 0.00 C ATOM 965 CG PRO A 64 1.370 -3.996 0.552 1.00 0.00 C ATOM 966 CD PRO A 64 0.050 -3.252 0.674 1.00 0.00 C ATOM 0 HA PRO A 64 -0.899 -6.362 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.710 -6.065 1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.222 -5.834 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.998 -3.804 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.922 -3.653 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.024 -2.636 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.109 -2.586 -0.174 1.00 0.00 H new ATOM 974 N MET A 65 -0.252 -5.324 3.229 1.00 0.00 N ATOM 975 CA MET A 65 -0.366 -5.703 4.627 1.00 0.00 C ATOM 976 C MET A 65 -1.765 -6.237 4.938 1.00 0.00 C ATOM 977 O MET A 65 -1.912 -7.208 5.679 1.00 0.00 O ATOM 978 CB MET A 65 -0.073 -4.488 5.511 1.00 0.00 C ATOM 979 CG MET A 65 -0.181 -4.850 6.993 1.00 0.00 C ATOM 980 SD MET A 65 -1.879 -4.733 7.530 1.00 0.00 S ATOM 981 CE MET A 65 -1.647 -3.986 9.133 1.00 0.00 C ATOM 0 H MET A 65 0.082 -4.373 3.071 1.00 0.00 H new ATOM 0 HA MET A 65 0.357 -6.493 4.830 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.927 -4.111 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.773 -3.686 5.277 1.00 0.00 H new ATOM 0 HG2 MET A 65 0.192 -5.861 7.157 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.443 -4.181 7.585 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.616 -3.841 9.611 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.031 -4.638 9.752 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.152 -3.022 9.017 1.00 0.00 H new ATOM 991 N ILE A 66 -2.758 -5.579 4.357 1.00 0.00 N ATOM 992 CA ILE A 66 -4.140 -5.975 4.563 1.00 0.00 C ATOM 993 C ILE A 66 -4.464 -7.169 3.664 1.00 0.00 C ATOM 994 O ILE A 66 -5.312 -7.994 4.001 1.00 0.00 O ATOM 995 CB ILE A 66 -5.075 -4.781 4.361 1.00 0.00 C ATOM 996 CG1 ILE A 66 -4.704 -3.630 5.297 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.539 -5.199 4.518 1.00 0.00 C ATOM 998 CD1 ILE A 66 -5.305 -2.310 4.807 1.00 0.00 C ATOM 0 H ILE A 66 -2.632 -4.774 3.743 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.294 -6.300 5.592 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.951 -4.418 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.062 -3.845 6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.619 -3.540 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.183 -4.332 4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.781 -5.962 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.697 -5.601 5.519 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.026 -1.508 5.490 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.926 -2.086 3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.391 -2.396 4.772 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.769 -7.226 2.537 1.00 0.00 N ATOM 1011 CA ALA A 67 -3.971 -8.306 1.585 1.00 0.00 C ATOM 1012 C ALA A 67 -3.484 -9.619 2.201 1.00 0.00 C ATOM 1013 O ALA A 67 -4.289 -10.485 2.542 1.00 0.00 O ATOM 1014 CB ALA A 67 -3.254 -7.974 0.276 1.00 0.00 C ATOM 0 H ALA A 67 -3.065 -6.541 2.262 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.030 -8.422 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.406 -8.784 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.657 -7.048 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.188 -7.853 0.466 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.169 -9.726 2.324 1.00 0.00 N ATOM 1021 CA VAL A 68 -1.566 -10.920 2.892 1.00 0.00 C ATOM 1022 C VAL A 68 -2.000 -11.060 4.353 1.00 0.00 C ATOM 1023 O VAL A 68 -2.068 -12.169 4.880 1.00 0.00 O ATOM 1024 CB VAL A 68 -0.047 -10.868 2.723 1.00 0.00 C ATOM 1025 CG1 VAL A 68 0.609 -12.141 3.264 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.335 -10.635 1.259 1.00 0.00 C ATOM 0 H VAL A 68 -1.505 -9.006 2.040 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.909 -11.810 2.364 1.00 0.00 H new ATOM 0 HB VAL A 68 0.326 -10.025 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.689 -12.078 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.379 -12.247 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.227 -13.006 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.421 -10.602 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -0.057 -11.448 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.087 -9.689 0.919 1.00 0.00 H new ATOM 1036 N GLY A 69 -2.284 -9.919 4.964 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.709 -9.901 6.354 1.00 0.00 C ATOM 1038 C GLY A 69 -3.925 -10.807 6.567 1.00 0.00 C ATOM 1039 O GLY A 69 -3.882 -11.726 7.381 1.00 0.00 O ATOM 0 H GLY A 69 -2.228 -9.001 4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.889 -10.230 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.954 -8.881 6.650 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.979 -10.512 5.819 1.00 0.00 N ATOM 1044 CA LEU A 70 -6.204 -11.288 5.916 1.00 0.00 C ATOM 1045 C LEU A 70 -5.914 -12.740 5.531 1.00 0.00 C ATOM 1046 O LEU A 70 -6.178 -13.657 6.308 1.00 0.00 O ATOM 1047 CB LEU A 70 -7.315 -10.641 5.086 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.682 -10.532 5.765 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -9.622 -9.632 4.961 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -9.284 -11.917 6.012 1.00 0.00 C ATOM 0 H LEU A 70 -5.010 -9.748 5.144 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.570 -11.297 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.992 -9.640 4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.433 -11.212 4.165 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.544 -10.064 6.740 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.587 -9.571 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.191 -8.634 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.759 -10.049 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.255 -11.811 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.407 -12.435 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.619 -12.493 6.656 1.00 0.00 H new ATOM 1062 N GLY A 71 -5.377 -12.905 4.331 1.00 0.00 N ATOM 1063 CA GLY A 71 -5.049 -14.229 3.833 1.00 0.00 C ATOM 1064 C GLY A 71 -4.402 -15.081 4.926 1.00 0.00 C ATOM 1065 O GLY A 71 -4.813 -16.217 5.158 1.00 0.00 O ATOM 0 H GLY A 71 -5.161 -12.143 3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.953 -14.720 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.371 -14.144 2.984 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.401 -14.501 5.570 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.692 -15.194 6.633 1.00 0.00 C ATOM 1071 C LEU A 72 -3.684 -15.578 7.733 1.00 0.00 C ATOM 1072 O LEU A 72 -3.932 -16.761 7.964 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.518 -14.350 7.132 1.00 0.00 C ATOM 1074 CG LEU A 72 -0.123 -14.920 6.867 1.00 0.00 C ATOM 1075 CD1 LEU A 72 0.957 -14.055 7.519 1.00 0.00 C ATOM 1076 CD2 LEU A 72 -0.033 -16.381 7.313 1.00 0.00 C ATOM 0 H LEU A 72 -3.063 -13.558 5.377 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.253 -16.119 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.581 -13.366 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.631 -14.204 8.206 1.00 0.00 H new ATOM 0 HG LEU A 72 0.054 -14.900 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.938 -14.483 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.910 -13.045 7.111 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.794 -14.019 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.969 -16.761 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.241 -16.449 8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.763 -16.975 6.763 1.00 0.00 H new ATOM 1088 N TYR A 73 -4.223 -14.557 8.382 1.00 0.00 N ATOM 1089 CA TYR A 73 -5.182 -14.774 9.453 1.00 0.00 C ATOM 1090 C TYR A 73 -6.112 -15.944 9.128 1.00 0.00 C ATOM 1091 O TYR A 73 -6.411 -16.763 9.995 1.00 0.00 O ATOM 1092 CB TYR A 73 -6.010 -13.490 9.543 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.394 -13.685 10.166 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.451 -14.100 9.383 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -7.584 -13.446 11.513 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.753 -14.284 9.970 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -8.886 -13.630 12.099 1.00 0.00 C ATOM 1098 CZ TYR A 73 -9.907 -14.039 11.298 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.136 -14.213 11.852 1.00 0.00 O ATOM 0 H TYR A 73 -4.015 -13.578 8.188 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.669 -15.008 10.386 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.459 -12.755 10.130 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.128 -13.075 8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.302 -14.287 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.756 -13.121 12.126 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.589 -14.609 9.368 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.049 -13.447 13.151 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.097 -14.002 12.808 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.542 -15.987 7.875 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.430 -17.044 7.425 1.00 0.00 C ATOM 1111 C VAL A 74 -6.684 -18.380 7.454 1.00 0.00 C ATOM 1112 O VAL A 74 -7.138 -19.334 8.083 1.00 0.00 O ATOM 1113 CB VAL A 74 -7.992 -16.703 6.042 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -8.807 -17.868 5.479 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -8.826 -15.422 6.090 1.00 0.00 C ATOM 0 H VAL A 74 -6.291 -15.306 7.158 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.285 -17.135 8.095 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.150 -16.529 5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.195 -17.600 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.170 -18.748 5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.638 -18.088 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.213 -15.202 5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.658 -15.555 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.202 -14.594 6.427 1.00 0.00 H new ATOM 1125 N MET A 75 -5.553 -18.404 6.766 1.00 0.00 N ATOM 1126 CA MET A 75 -4.740 -19.606 6.705 1.00 0.00 C ATOM 1127 C MET A 75 -4.508 -20.183 8.103 1.00 0.00 C ATOM 1128 O MET A 75 -4.735 -21.369 8.335 1.00 0.00 O ATOM 1129 CB MET A 75 -3.392 -19.280 6.057 1.00 0.00 C ATOM 1130 CG MET A 75 -2.728 -20.543 5.506 1.00 0.00 C ATOM 1131 SD MET A 75 -1.522 -21.156 6.670 1.00 0.00 S ATOM 1132 CE MET A 75 -0.292 -19.868 6.549 1.00 0.00 C ATOM 0 H MET A 75 -5.180 -17.610 6.246 1.00 0.00 H new ATOM 0 HA MET A 75 -5.269 -20.349 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.537 -18.560 5.251 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.736 -18.811 6.790 1.00 0.00 H new ATOM 0 HG2 MET A 75 -3.482 -21.307 5.315 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.247 -20.325 4.553 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.700 -20.316 6.498 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.471 -19.278 5.650 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.354 -19.223 7.425 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.058 -19.315 8.999 1.00 0.00 N ATOM 1143 CA PHE A 76 -3.792 -19.723 10.367 1.00 0.00 C ATOM 1144 C PHE A 76 -5.091 -20.073 11.097 1.00 0.00 C ATOM 1145 O PHE A 76 -5.064 -20.703 12.153 1.00 0.00 O ATOM 1146 CB PHE A 76 -3.131 -18.534 11.068 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.421 -18.898 12.374 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.191 -19.475 12.341 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.022 -18.645 13.567 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -0.532 -19.812 13.553 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.363 -18.982 14.779 1.00 0.00 C ATOM 1152 CZ PHE A 76 -1.132 -19.559 14.746 1.00 0.00 C ATOM 0 H PHE A 76 -3.871 -18.332 8.803 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.153 -20.606 10.375 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.410 -18.080 10.389 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.890 -17.780 11.277 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.715 -19.677 11.393 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.000 -18.188 13.593 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.446 -20.269 13.527 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.839 -18.780 15.727 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.631 -19.816 15.668 1.00 0.00 H new ATOM 1162 N ALA A 77 -6.198 -19.647 10.506 1.00 0.00 N ATOM 1163 CA ALA A 77 -7.504 -19.907 11.086 1.00 0.00 C ATOM 1164 C ALA A 77 -7.908 -21.353 10.796 1.00 0.00 C ATOM 1165 O ALA A 77 -8.206 -22.115 11.715 1.00 0.00 O ATOM 1166 CB ALA A 77 -8.516 -18.898 10.538 1.00 0.00 C ATOM 0 H ALA A 77 -6.217 -19.123 9.631 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.474 -19.784 12.169 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.496 -19.093 10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.199 -17.888 10.796 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.575 -18.994 9.454 1.00 0.00 H new ATOM 1172 N VAL A 78 -7.905 -21.689 9.514 1.00 0.00 N ATOM 1173 CA VAL A 78 -8.268 -23.032 9.091 1.00 0.00 C ATOM 1174 C VAL A 78 -6.997 -23.865 8.910 1.00 0.00 C ATOM 1175 O VAL A 78 -7.035 -24.939 8.312 1.00 0.00 O ATOM 1176 CB VAL A 78 -9.127 -22.969 7.827 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -8.302 -22.499 6.627 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -9.786 -24.320 7.544 1.00 0.00 C ATOM 0 H VAL A 78 -7.657 -21.055 8.754 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.873 -23.523 9.854 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.919 -22.239 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.936 -22.463 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.902 -21.505 6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.480 -23.194 6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.391 -24.248 6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.016 -25.079 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.422 -24.598 8.385 1.00 0.00 H new ATOM 1188 N ALA A 79 -5.902 -23.337 9.435 1.00 0.00 N ATOM 1189 CA ALA A 79 -4.622 -24.019 9.339 1.00 0.00 C ATOM 1190 C ALA A 79 -3.563 -23.217 10.097 1.00 0.00 C ATOM 1191 O ALA A 79 -2.611 -23.786 10.631 1.00 0.00 O ATOM 1192 CB ALA A 79 -4.259 -24.216 7.865 1.00 0.00 C ATOM 0 H ALA A 79 -5.874 -22.445 9.928 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.678 -25.006 9.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.299 -24.727 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.028 -24.816 7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.191 -23.245 7.374 1.00 0.00 H new TER 1198 ALA A 79