USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -4:sc= 1.63 USER MOD Set 1.2: A 73 TYR OH : rot 30:sc= -0.382 USER MOD Single : A 1 MET CE :methyl 143:sc= -3.86! (180deg=-6.91!) USER MOD Single : A 1 MET N :NH3+ -130:sc= -0.284 (180deg=-0.999) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.0757 K(o=-0.076,f=-0.8) USER MOD Single : A 6 MET CE :methyl -158:sc= -0.172 (180deg=-0.881) USER MOD Single : A 11 MET CE :methyl 161:sc= -0.174 (180deg=-0.668) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 140:sc= -8.45! (180deg=-10.9!) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0403 (180deg=-0.25) USER MOD Single : A 42 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 51 THR OG1 : rot 72:sc= 0.649 USER MOD Single : A 52 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -158:sc= -0.175 (180deg=-0.803) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.132 -27.802 2.299 1.00 0.00 N ATOM 2 CA MET A 1 -5.695 -27.685 2.663 1.00 0.00 C ATOM 3 C MET A 1 -4.809 -27.660 1.421 1.00 0.00 C ATOM 4 O MET A 1 -4.293 -26.612 1.035 1.00 0.00 O ATOM 5 CB MET A 1 -5.317 -28.871 3.555 1.00 0.00 C ATOM 6 CG MET A 1 -6.040 -28.906 4.897 1.00 0.00 C ATOM 7 SD MET A 1 -5.557 -27.563 6.007 1.00 0.00 S ATOM 8 CE MET A 1 -6.417 -26.169 5.284 1.00 0.00 C ATOM 0 H1 MET A 1 -7.678 -27.072 2.801 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.242 -27.672 1.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.483 -28.743 2.569 1.00 0.00 H new ATOM 0 HA MET A 1 -5.539 -26.747 3.197 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.529 -29.796 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.242 -28.846 3.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.115 -28.856 4.724 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.840 -29.860 5.384 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.778 -25.513 6.076 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.735 -25.616 4.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.262 -26.528 4.697 1.00 0.00 H new ATOM 20 N GLU A 2 -4.636 -28.824 0.801 1.00 0.00 N ATOM 21 CA GLU A 2 -3.810 -28.942 -0.395 1.00 0.00 C ATOM 22 C GLU A 2 -4.195 -27.895 -1.438 1.00 0.00 C ATOM 23 O GLU A 2 -3.359 -27.456 -2.228 1.00 0.00 O ATOM 24 CB GLU A 2 -3.924 -30.345 -1.002 1.00 0.00 C ATOM 25 CG GLU A 2 -3.271 -31.441 -0.169 1.00 0.00 C ATOM 26 CD GLU A 2 -4.057 -31.794 1.080 1.00 0.00 C ATOM 27 OE1 GLU A 2 -5.171 -31.257 1.256 1.00 0.00 O ATOM 28 OE2 GLU A 2 -3.564 -32.619 1.878 1.00 0.00 O ATOM 0 H GLU A 2 -5.058 -29.700 1.108 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.776 -28.770 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.979 -30.586 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.470 -30.338 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.156 -32.335 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.269 -31.121 0.119 1.00 0.00 H new ATOM 35 N ASN A 3 -5.463 -27.498 -1.435 1.00 0.00 N ATOM 36 CA ASN A 3 -5.954 -26.502 -2.381 1.00 0.00 C ATOM 37 C ASN A 3 -6.258 -25.184 -1.677 1.00 0.00 C ATOM 38 O ASN A 3 -6.136 -24.111 -2.268 1.00 0.00 O ATOM 39 CB ASN A 3 -7.206 -27.016 -3.092 1.00 0.00 C ATOM 40 CG ASN A 3 -6.948 -28.292 -3.868 1.00 0.00 C ATOM 41 OD1 ASN A 3 -6.116 -28.324 -4.775 1.00 0.00 O ATOM 42 ND2 ASN A 3 -7.662 -29.354 -3.515 1.00 0.00 N ATOM 0 H ASN A 3 -6.169 -27.850 -0.789 1.00 0.00 H new ATOM 0 HA ASN A 3 -5.173 -26.325 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.991 -27.194 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.575 -26.249 -3.773 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.532 -30.241 -4.002 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.341 -29.283 -2.757 1.00 0.00 H new ATOM 49 N LEU A 4 -6.648 -25.270 -0.409 1.00 0.00 N ATOM 50 CA LEU A 4 -6.962 -24.078 0.374 1.00 0.00 C ATOM 51 C LEU A 4 -5.693 -23.323 0.746 1.00 0.00 C ATOM 52 O LEU A 4 -5.753 -22.194 1.235 1.00 0.00 O ATOM 53 CB LEU A 4 -7.735 -24.458 1.638 1.00 0.00 C ATOM 54 CG LEU A 4 -8.138 -23.281 2.528 1.00 0.00 C ATOM 55 CD1 LEU A 4 -9.044 -22.319 1.771 1.00 0.00 C ATOM 56 CD2 LEU A 4 -8.822 -23.781 3.792 1.00 0.00 C ATOM 0 H LEU A 4 -6.754 -26.149 0.098 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.584 -23.426 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.636 -24.998 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.126 -25.146 2.225 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.235 -22.742 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.319 -21.489 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.518 -21.935 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.945 -22.843 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.102 -22.931 4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.715 -24.345 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.139 -24.426 4.345 1.00 0.00 H new ATOM 68 N ASN A 5 -4.546 -23.945 0.505 1.00 0.00 N ATOM 69 CA ASN A 5 -3.275 -23.331 0.806 1.00 0.00 C ATOM 70 C ASN A 5 -2.982 -22.229 -0.197 1.00 0.00 C ATOM 71 O ASN A 5 -2.843 -21.061 0.165 1.00 0.00 O ATOM 72 CB ASN A 5 -2.163 -24.375 0.787 1.00 0.00 C ATOM 73 CG ASN A 5 -0.858 -23.832 1.321 1.00 0.00 C ATOM 74 OD1 ASN A 5 -0.217 -22.987 0.698 1.00 0.00 O ATOM 75 ND2 ASN A 5 -0.472 -24.306 2.497 1.00 0.00 N ATOM 0 H ASN A 5 -4.478 -24.879 0.100 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.322 -22.896 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.466 -25.236 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.017 -24.728 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.391 -23.970 2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.038 -25.007 2.975 1.00 0.00 H new ATOM 82 N MET A 6 -2.914 -22.609 -1.468 1.00 0.00 N ATOM 83 CA MET A 6 -2.667 -21.658 -2.533 1.00 0.00 C ATOM 84 C MET A 6 -3.710 -20.547 -2.489 1.00 0.00 C ATOM 85 O MET A 6 -3.446 -19.412 -2.886 1.00 0.00 O ATOM 86 CB MET A 6 -2.710 -22.359 -3.892 1.00 0.00 C ATOM 87 CG MET A 6 -4.073 -22.935 -4.237 1.00 0.00 C ATOM 88 SD MET A 6 -4.109 -23.707 -5.866 1.00 0.00 S ATOM 89 CE MET A 6 -3.700 -22.312 -6.911 1.00 0.00 C ATOM 0 H MET A 6 -3.028 -23.573 -1.781 1.00 0.00 H new ATOM 0 HA MET A 6 -1.676 -21.225 -2.393 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.418 -21.650 -4.667 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.973 -23.162 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.353 -23.672 -3.484 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.819 -22.141 -4.199 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.052 -22.501 -7.925 1.00 0.00 H new ATOM 0 HE2 MET A 6 -4.179 -21.413 -6.522 1.00 0.00 H new ATOM 0 HE3 MET A 6 -2.619 -22.171 -6.923 1.00 0.00 H new ATOM 99 N ASP A 7 -4.898 -20.891 -1.994 1.00 0.00 N ATOM 100 CA ASP A 7 -5.991 -19.932 -1.887 1.00 0.00 C ATOM 101 C ASP A 7 -5.713 -18.920 -0.782 1.00 0.00 C ATOM 102 O ASP A 7 -5.937 -17.723 -0.953 1.00 0.00 O ATOM 103 CB ASP A 7 -7.308 -20.659 -1.613 1.00 0.00 C ATOM 104 CG ASP A 7 -8.487 -19.710 -1.523 1.00 0.00 C ATOM 105 OD1 ASP A 7 -8.758 -19.004 -2.518 1.00 0.00 O ATOM 106 OD2 ASP A 7 -9.140 -19.673 -0.458 1.00 0.00 O ATOM 0 H ASP A 7 -5.126 -21.828 -1.661 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.072 -19.398 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.490 -21.385 -2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.224 -21.218 -0.681 1.00 0.00 H new ATOM 111 N LEU A 8 -5.222 -19.412 0.349 1.00 0.00 N ATOM 112 CA LEU A 8 -4.912 -18.552 1.483 1.00 0.00 C ATOM 113 C LEU A 8 -3.689 -17.688 1.193 1.00 0.00 C ATOM 114 O LEU A 8 -3.712 -16.477 1.404 1.00 0.00 O ATOM 115 CB LEU A 8 -4.669 -19.396 2.737 1.00 0.00 C ATOM 116 CG LEU A 8 -4.323 -18.602 3.999 1.00 0.00 C ATOM 117 CD1 LEU A 8 -5.464 -17.668 4.378 1.00 0.00 C ATOM 118 CD2 LEU A 8 -4.001 -19.547 5.147 1.00 0.00 C ATOM 0 H LEU A 8 -5.030 -20.402 0.505 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.765 -17.896 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.561 -19.990 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.858 -20.096 2.533 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.442 -17.995 3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.197 -17.114 5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.648 -16.969 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.365 -18.252 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.757 -18.968 6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.865 -20.179 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.150 -20.172 4.876 1.00 0.00 H new ATOM 130 N LEU A 9 -2.622 -18.318 0.710 1.00 0.00 N ATOM 131 CA LEU A 9 -1.390 -17.601 0.397 1.00 0.00 C ATOM 132 C LEU A 9 -1.643 -16.516 -0.649 1.00 0.00 C ATOM 133 O LEU A 9 -1.415 -15.329 -0.393 1.00 0.00 O ATOM 134 CB LEU A 9 -0.316 -18.581 -0.083 1.00 0.00 C ATOM 135 CG LEU A 9 1.081 -17.984 -0.261 1.00 0.00 C ATOM 136 CD1 LEU A 9 2.122 -19.090 -0.346 1.00 0.00 C ATOM 137 CD2 LEU A 9 1.134 -17.105 -1.503 1.00 0.00 C ATOM 0 H LEU A 9 -2.585 -19.321 0.527 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.033 -17.113 1.304 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.254 -19.404 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.635 -19.007 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 9 1.304 -17.363 0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.111 -18.650 -0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.102 -19.680 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.900 -19.734 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.136 -16.690 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.891 -17.702 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.413 -16.293 -1.405 1.00 0.00 H new ATOM 149 N TYR A 10 -2.134 -16.914 -1.822 1.00 0.00 N ATOM 150 CA TYR A 10 -2.430 -15.947 -2.875 1.00 0.00 C ATOM 151 C TYR A 10 -3.355 -14.862 -2.346 1.00 0.00 C ATOM 152 O TYR A 10 -3.053 -13.672 -2.440 1.00 0.00 O ATOM 153 CB TYR A 10 -3.069 -16.623 -4.085 1.00 0.00 C ATOM 154 CG TYR A 10 -2.071 -17.171 -5.075 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.293 -18.287 -4.786 1.00 0.00 C ATOM 156 CD2 TYR A 10 -1.907 -16.562 -6.311 1.00 0.00 C ATOM 157 CE1 TYR A 10 -0.387 -18.776 -5.704 1.00 0.00 C ATOM 158 CE2 TYR A 10 -1.002 -17.044 -7.231 1.00 0.00 C ATOM 159 CZ TYR A 10 -0.243 -18.151 -6.925 1.00 0.00 C ATOM 160 OH TYR A 10 0.660 -18.638 -7.841 1.00 0.00 O ATOM 0 H TYR A 10 -2.332 -17.885 -2.064 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.488 -15.499 -3.191 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.708 -17.436 -3.740 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.713 -15.905 -4.592 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.400 -18.777 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.500 -15.694 -6.556 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.208 -19.646 -5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.888 -16.556 -8.188 1.00 0.00 H new ATOM 0 HH TYR A 10 1.157 -19.384 -7.445 1.00 0.00 H new ATOM 170 N MET A 11 -4.475 -15.283 -1.767 1.00 0.00 N ATOM 171 CA MET A 11 -5.432 -14.346 -1.197 1.00 0.00 C ATOM 172 C MET A 11 -4.735 -13.449 -0.177 1.00 0.00 C ATOM 173 O MET A 11 -5.188 -12.340 0.104 1.00 0.00 O ATOM 174 CB MET A 11 -6.586 -15.099 -0.534 1.00 0.00 C ATOM 175 CG MET A 11 -7.651 -14.189 0.055 1.00 0.00 C ATOM 176 SD MET A 11 -8.441 -13.149 -1.189 1.00 0.00 S ATOM 177 CE MET A 11 -9.138 -14.391 -2.275 1.00 0.00 C ATOM 0 H MET A 11 -4.740 -16.264 -1.681 1.00 0.00 H new ATOM 0 HA MET A 11 -5.837 -13.727 -1.998 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.049 -15.757 -1.270 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.187 -15.735 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.409 -14.796 0.550 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.200 -13.556 0.819 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.922 -13.942 -2.885 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.356 -14.788 -2.923 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.560 -15.200 -1.679 1.00 0.00 H new ATOM 187 N ALA A 12 -3.622 -13.941 0.366 1.00 0.00 N ATOM 188 CA ALA A 12 -2.854 -13.199 1.339 1.00 0.00 C ATOM 189 C ALA A 12 -2.171 -12.011 0.681 1.00 0.00 C ATOM 190 O ALA A 12 -2.270 -10.890 1.158 1.00 0.00 O ATOM 191 CB ALA A 12 -1.827 -14.098 2.012 1.00 0.00 C ATOM 0 H ALA A 12 -3.238 -14.858 0.140 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.536 -12.827 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.259 -13.520 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.337 -14.918 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.148 -14.501 1.260 1.00 0.00 H new ATOM 197 N ALA A 13 -1.473 -12.274 -0.418 1.00 0.00 N ATOM 198 CA ALA A 13 -0.769 -11.235 -1.150 1.00 0.00 C ATOM 199 C ALA A 13 -1.723 -10.378 -1.983 1.00 0.00 C ATOM 200 O ALA A 13 -1.358 -9.295 -2.435 1.00 0.00 O ATOM 201 CB ALA A 13 0.295 -11.856 -2.046 1.00 0.00 C ATOM 0 H ALA A 13 -1.381 -13.206 -0.822 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.293 -10.582 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.817 -11.069 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.008 -12.409 -1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.178 -12.535 -2.755 1.00 0.00 H new ATOM 207 N ALA A 14 -2.951 -10.851 -2.174 1.00 0.00 N ATOM 208 CA ALA A 14 -3.931 -10.098 -2.945 1.00 0.00 C ATOM 209 C ALA A 14 -4.697 -9.180 -2.017 1.00 0.00 C ATOM 210 O ALA A 14 -5.010 -8.040 -2.354 1.00 0.00 O ATOM 211 CB ALA A 14 -4.875 -11.037 -3.683 1.00 0.00 C ATOM 0 H ALA A 14 -3.287 -11.742 -1.810 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.415 -9.498 -3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.598 -10.453 -4.252 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.303 -11.668 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.401 -11.664 -2.963 1.00 0.00 H new ATOM 217 N VAL A 15 -4.956 -9.692 -0.831 1.00 0.00 N ATOM 218 CA VAL A 15 -5.642 -8.948 0.198 1.00 0.00 C ATOM 219 C VAL A 15 -4.664 -7.982 0.856 1.00 0.00 C ATOM 220 O VAL A 15 -5.018 -6.862 1.221 1.00 0.00 O ATOM 221 CB VAL A 15 -6.215 -9.915 1.247 1.00 0.00 C ATOM 222 CG1 VAL A 15 -6.697 -9.171 2.485 1.00 0.00 C ATOM 223 CG2 VAL A 15 -7.344 -10.736 0.644 1.00 0.00 C ATOM 0 H VAL A 15 -4.695 -10.639 -0.556 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.463 -8.385 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.415 -10.588 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.096 -9.885 3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.863 -8.631 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.478 -8.464 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.741 -11.417 1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.136 -10.070 0.303 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.965 -11.311 -0.201 1.00 0.00 H new ATOM 233 N MET A 16 -3.422 -8.438 0.989 1.00 0.00 N ATOM 234 CA MET A 16 -2.360 -7.645 1.589 1.00 0.00 C ATOM 235 C MET A 16 -1.888 -6.554 0.650 1.00 0.00 C ATOM 236 O MET A 16 -1.875 -5.381 1.014 1.00 0.00 O ATOM 237 CB MET A 16 -1.174 -8.541 1.970 1.00 0.00 C ATOM 238 CG MET A 16 -1.395 -9.337 3.247 1.00 0.00 C ATOM 239 SD MET A 16 -0.006 -10.417 3.641 1.00 0.00 S ATOM 240 CE MET A 16 -0.584 -11.174 5.157 1.00 0.00 C ATOM 0 H MET A 16 -3.126 -9.365 0.684 1.00 0.00 H new ATOM 0 HA MET A 16 -2.766 -7.177 2.486 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.975 -9.232 1.151 1.00 0.00 H new ATOM 0 HB3 MET A 16 -0.285 -7.921 2.088 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.561 -8.649 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 16 -2.299 -9.937 3.145 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.169 -11.871 5.526 1.00 0.00 H new ATOM 0 HE2 MET A 16 -0.761 -10.401 5.905 1.00 0.00 H new ATOM 0 HE3 MET A 16 -1.512 -11.712 4.964 1.00 0.00 H new ATOM 250 N MET A 17 -1.491 -6.936 -0.556 1.00 0.00 N ATOM 251 CA MET A 17 -1.014 -5.957 -1.514 1.00 0.00 C ATOM 252 C MET A 17 -2.173 -5.182 -2.088 1.00 0.00 C ATOM 253 O MET A 17 -2.082 -3.973 -2.295 1.00 0.00 O ATOM 254 CB MET A 17 -0.229 -6.639 -2.635 1.00 0.00 C ATOM 255 CG MET A 17 0.784 -7.662 -2.144 1.00 0.00 C ATOM 256 SD MET A 17 1.591 -8.533 -3.503 1.00 0.00 S ATOM 257 CE MET A 17 2.211 -7.158 -4.465 1.00 0.00 C ATOM 0 H MET A 17 -1.490 -7.901 -0.888 1.00 0.00 H new ATOM 0 HA MET A 17 -0.348 -5.265 -0.997 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.930 -7.131 -3.309 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.291 -5.878 -3.216 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.538 -7.161 -1.538 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.284 -8.384 -1.498 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.207 -7.395 -4.839 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.543 -6.971 -5.305 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.262 -6.268 -3.837 1.00 0.00 H new ATOM 267 N GLY A 18 -3.275 -5.869 -2.318 1.00 0.00 N ATOM 268 CA GLY A 18 -4.435 -5.199 -2.833 1.00 0.00 C ATOM 269 C GLY A 18 -4.898 -4.129 -1.873 1.00 0.00 C ATOM 270 O GLY A 18 -4.963 -2.953 -2.228 1.00 0.00 O ATOM 0 H GLY A 18 -3.384 -6.870 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.205 -4.753 -3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.236 -5.920 -2.997 1.00 0.00 H new ATOM 274 N LEU A 19 -5.196 -4.537 -0.642 1.00 0.00 N ATOM 275 CA LEU A 19 -5.650 -3.604 0.374 1.00 0.00 C ATOM 276 C LEU A 19 -4.554 -2.632 0.795 1.00 0.00 C ATOM 277 O LEU A 19 -4.857 -1.536 1.268 1.00 0.00 O ATOM 278 CB LEU A 19 -6.167 -4.357 1.600 1.00 0.00 C ATOM 279 CG LEU A 19 -7.324 -5.321 1.330 1.00 0.00 C ATOM 280 CD1 LEU A 19 -7.752 -6.015 2.613 1.00 0.00 C ATOM 281 CD2 LEU A 19 -8.497 -4.579 0.706 1.00 0.00 C ATOM 0 H LEU A 19 -5.130 -5.506 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.460 -3.023 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.341 -4.919 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.487 -3.629 2.346 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.983 -6.082 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.576 -6.696 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.912 -6.577 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.076 -5.270 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.312 -5.278 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.837 -3.798 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.183 -4.129 -0.236 1.00 0.00 H new ATOM 293 N ALA A 20 -3.283 -3.010 0.642 1.00 0.00 N ATOM 294 CA ALA A 20 -2.216 -2.113 1.049 1.00 0.00 C ATOM 295 C ALA A 20 -1.857 -1.142 -0.052 1.00 0.00 C ATOM 296 O ALA A 20 -2.155 0.046 0.043 1.00 0.00 O ATOM 297 CB ALA A 20 -0.999 -2.895 1.489 1.00 0.00 C ATOM 0 H ALA A 20 -2.980 -3.902 0.252 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.579 -1.532 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.212 -2.204 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.262 -3.534 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.645 -3.512 0.663 1.00 0.00 H new ATOM 303 N ALA A 21 -1.217 -1.643 -1.097 1.00 0.00 N ATOM 304 CA ALA A 21 -0.834 -0.794 -2.207 1.00 0.00 C ATOM 305 C ALA A 21 -2.016 0.069 -2.636 1.00 0.00 C ATOM 306 O ALA A 21 -1.852 1.253 -2.939 1.00 0.00 O ATOM 307 CB ALA A 21 -0.329 -1.631 -3.372 1.00 0.00 C ATOM 0 H ALA A 21 -0.955 -2.624 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.023 -0.140 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.046 -0.975 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.538 -2.210 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.117 -2.309 -3.702 1.00 0.00 H new ATOM 313 N ILE A 22 -3.219 -0.518 -2.635 1.00 0.00 N ATOM 314 CA ILE A 22 -4.408 0.232 -3.002 1.00 0.00 C ATOM 315 C ILE A 22 -4.893 1.056 -1.819 1.00 0.00 C ATOM 316 O ILE A 22 -5.349 2.182 -1.999 1.00 0.00 O ATOM 317 CB ILE A 22 -5.553 -0.675 -3.488 1.00 0.00 C ATOM 318 CG1 ILE A 22 -5.061 -1.612 -4.592 1.00 0.00 C ATOM 319 CG2 ILE A 22 -6.717 0.169 -3.988 1.00 0.00 C ATOM 320 CD1 ILE A 22 -4.543 -0.887 -5.815 1.00 0.00 C ATOM 0 H ILE A 22 -3.386 -1.493 -2.388 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.125 0.884 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.896 -1.281 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.269 -2.246 -4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.877 -2.271 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.520 -0.484 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.082 0.801 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.383 0.796 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.211 -1.614 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.339 -0.274 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.705 -0.249 -5.532 1.00 0.00 H new ATOM 332 N GLY A 23 -4.775 0.510 -0.601 1.00 0.00 N ATOM 333 CA GLY A 23 -5.195 1.258 0.570 1.00 0.00 C ATOM 334 C GLY A 23 -4.513 2.605 0.612 1.00 0.00 C ATOM 335 O GLY A 23 -5.156 3.645 0.775 1.00 0.00 O ATOM 0 H GLY A 23 -4.402 -0.421 -0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.277 1.392 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.957 0.695 1.473 1.00 0.00 H new ATOM 339 N ALA A 24 -3.201 2.581 0.422 1.00 0.00 N ATOM 340 CA ALA A 24 -2.415 3.796 0.396 1.00 0.00 C ATOM 341 C ALA A 24 -2.800 4.621 -0.820 1.00 0.00 C ATOM 342 O ALA A 24 -3.083 5.808 -0.706 1.00 0.00 O ATOM 343 CB ALA A 24 -0.930 3.471 0.373 1.00 0.00 C ATOM 0 H ALA A 24 -2.661 1.727 0.283 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.619 4.373 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.355 4.397 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.669 2.900 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.700 2.883 -0.515 1.00 0.00 H new ATOM 349 N ALA A 25 -2.829 3.976 -1.987 1.00 0.00 N ATOM 350 CA ALA A 25 -3.200 4.660 -3.225 1.00 0.00 C ATOM 351 C ALA A 25 -4.454 5.514 -3.028 1.00 0.00 C ATOM 352 O ALA A 25 -4.418 6.739 -3.176 1.00 0.00 O ATOM 353 CB ALA A 25 -3.417 3.648 -4.340 1.00 0.00 C ATOM 0 H ALA A 25 -2.602 2.988 -2.100 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.382 5.324 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.693 4.170 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.498 3.086 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.216 2.962 -4.058 1.00 0.00 H new ATOM 359 N ILE A 26 -5.562 4.861 -2.684 1.00 0.00 N ATOM 360 CA ILE A 26 -6.823 5.562 -2.461 1.00 0.00 C ATOM 361 C ILE A 26 -6.655 6.686 -1.464 1.00 0.00 C ATOM 362 O ILE A 26 -7.135 7.788 -1.690 1.00 0.00 O ATOM 363 CB ILE A 26 -7.932 4.622 -1.952 1.00 0.00 C ATOM 364 CG1 ILE A 26 -7.492 3.901 -0.675 1.00 0.00 C ATOM 365 CG2 ILE A 26 -8.319 3.622 -3.033 1.00 0.00 C ATOM 366 CD1 ILE A 26 -8.507 2.900 -0.164 1.00 0.00 C ATOM 0 H ILE A 26 -5.612 3.851 -2.554 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.118 5.964 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.808 5.224 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.550 3.386 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.300 4.641 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.104 2.965 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.683 4.157 -3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.448 3.027 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.128 2.428 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.443 3.412 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.681 2.138 -0.924 1.00 0.00 H new ATOM 378 N GLY A 27 -5.978 6.408 -0.363 1.00 0.00 N ATOM 379 CA GLY A 27 -5.780 7.431 0.637 1.00 0.00 C ATOM 380 C GLY A 27 -5.026 8.622 0.105 1.00 0.00 C ATOM 381 O GLY A 27 -5.352 9.754 0.423 1.00 0.00 O ATOM 0 H GLY A 27 -5.566 5.501 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.749 7.758 1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.235 7.008 1.481 1.00 0.00 H new ATOM 385 N ILE A 28 -4.026 8.378 -0.723 1.00 0.00 N ATOM 386 CA ILE A 28 -3.266 9.467 -1.307 1.00 0.00 C ATOM 387 C ILE A 28 -4.206 10.327 -2.135 1.00 0.00 C ATOM 388 O ILE A 28 -4.082 11.548 -2.183 1.00 0.00 O ATOM 389 CB ILE A 28 -2.127 8.942 -2.199 1.00 0.00 C ATOM 390 CG1 ILE A 28 -1.183 8.069 -1.378 1.00 0.00 C ATOM 391 CG2 ILE A 28 -1.370 10.098 -2.839 1.00 0.00 C ATOM 392 CD1 ILE A 28 -0.209 7.276 -2.223 1.00 0.00 C ATOM 0 H ILE A 28 -3.724 7.445 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.818 10.052 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.557 8.338 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.623 8.701 -0.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.772 7.380 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.569 9.706 -3.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.054 10.687 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.945 10.730 -2.060 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.432 6.678 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.761 6.618 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.405 7.960 -2.809 1.00 0.00 H new ATOM 404 N GLY A 29 -5.165 9.660 -2.769 1.00 0.00 N ATOM 405 CA GLY A 29 -6.141 10.353 -3.578 1.00 0.00 C ATOM 406 C GLY A 29 -7.191 11.051 -2.738 1.00 0.00 C ATOM 407 O GLY A 29 -7.647 12.139 -3.091 1.00 0.00 O ATOM 0 H GLY A 29 -5.281 8.647 -2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.635 11.086 -4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.627 9.642 -4.246 1.00 0.00 H new ATOM 411 N ILE A 30 -7.580 10.434 -1.620 1.00 0.00 N ATOM 412 CA ILE A 30 -8.587 11.038 -0.751 1.00 0.00 C ATOM 413 C ILE A 30 -7.967 12.139 0.100 1.00 0.00 C ATOM 414 O ILE A 30 -8.345 13.309 0.007 1.00 0.00 O ATOM 415 CB ILE A 30 -9.245 9.987 0.170 1.00 0.00 C ATOM 416 CG1 ILE A 30 -9.929 8.903 -0.665 1.00 0.00 C ATOM 417 CG2 ILE A 30 -10.248 10.647 1.107 1.00 0.00 C ATOM 418 CD1 ILE A 30 -11.040 9.431 -1.547 1.00 0.00 C ATOM 0 H ILE A 30 -7.220 9.534 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 30 -9.357 11.464 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.466 9.522 0.774 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.183 8.412 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.336 8.144 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.700 9.890 1.747 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.737 11.386 1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.025 11.138 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.480 8.608 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.806 9.897 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.635 10.169 -2.240 1.00 0.00 H new ATOM 430 N LEU A 31 -7.002 11.749 0.915 1.00 0.00 N ATOM 431 CA LEU A 31 -6.298 12.673 1.783 1.00 0.00 C ATOM 432 C LEU A 31 -5.509 13.689 0.964 1.00 0.00 C ATOM 433 O LEU A 31 -5.450 14.866 1.316 1.00 0.00 O ATOM 434 CB LEU A 31 -5.362 11.898 2.711 1.00 0.00 C ATOM 435 CG LEU A 31 -5.669 12.041 4.203 1.00 0.00 C ATOM 436 CD1 LEU A 31 -4.643 11.288 5.034 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.712 13.508 4.599 1.00 0.00 C ATOM 0 H LEU A 31 -6.686 10.782 0.993 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.029 13.215 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.405 10.842 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.340 12.231 2.532 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.649 11.606 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.878 11.401 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.665 10.231 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.649 11.691 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.932 13.591 5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.747 13.970 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.488 14.017 4.028 1.00 0.00 H new ATOM 449 N GLY A 32 -4.908 13.232 -0.133 1.00 0.00 N ATOM 450 CA GLY A 32 -4.144 14.129 -0.978 1.00 0.00 C ATOM 451 C GLY A 32 -5.041 15.016 -1.814 1.00 0.00 C ATOM 452 O GLY A 32 -4.770 16.205 -1.980 1.00 0.00 O ATOM 0 H GLY A 32 -4.937 12.262 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.496 14.749 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.496 13.547 -1.633 1.00 0.00 H new ATOM 456 N GLY A 33 -6.121 14.440 -2.334 1.00 0.00 N ATOM 457 CA GLY A 33 -7.050 15.206 -3.140 1.00 0.00 C ATOM 458 C GLY A 33 -7.677 16.342 -2.357 1.00 0.00 C ATOM 459 O GLY A 33 -7.930 17.416 -2.901 1.00 0.00 O ATOM 0 H GLY A 33 -6.368 13.458 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.530 15.608 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.834 14.548 -3.514 1.00 0.00 H new ATOM 463 N LYS A 34 -7.927 16.102 -1.072 1.00 0.00 N ATOM 464 CA LYS A 34 -8.525 17.114 -0.210 1.00 0.00 C ATOM 465 C LYS A 34 -7.455 17.988 0.439 1.00 0.00 C ATOM 466 O LYS A 34 -7.699 19.154 0.749 1.00 0.00 O ATOM 467 CB LYS A 34 -9.381 16.450 0.871 1.00 0.00 C ATOM 468 CG LYS A 34 -10.534 15.630 0.316 1.00 0.00 C ATOM 469 CD LYS A 34 -11.479 16.485 -0.512 1.00 0.00 C ATOM 470 CE LYS A 34 -12.632 15.664 -1.069 1.00 0.00 C ATOM 471 NZ LYS A 34 -12.156 14.555 -1.942 1.00 0.00 N ATOM 0 H LYS A 34 -7.725 15.217 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.157 17.751 -0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.747 15.805 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.779 17.220 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.142 14.819 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.083 15.170 1.138 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.872 17.295 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.929 16.946 -1.333 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.215 15.252 -0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.298 16.313 -1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.956 14.172 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.434 14.915 -2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.745 13.802 -1.354 1.00 0.00 H new ATOM 485 N PHE A 35 -6.269 17.421 0.642 1.00 0.00 N ATOM 486 CA PHE A 35 -5.168 18.158 1.256 1.00 0.00 C ATOM 487 C PHE A 35 -4.440 19.014 0.222 1.00 0.00 C ATOM 488 O PHE A 35 -3.768 19.984 0.570 1.00 0.00 O ATOM 489 CB PHE A 35 -4.189 17.194 1.938 1.00 0.00 C ATOM 490 CG PHE A 35 -3.103 17.888 2.706 1.00 0.00 C ATOM 491 CD1 PHE A 35 -2.049 18.487 2.042 1.00 0.00 C ATOM 492 CD2 PHE A 35 -3.148 17.954 4.089 1.00 0.00 C ATOM 493 CE1 PHE A 35 -1.053 19.137 2.740 1.00 0.00 C ATOM 494 CE2 PHE A 35 -2.152 18.602 4.795 1.00 0.00 C ATOM 495 CZ PHE A 35 -1.103 19.194 4.119 1.00 0.00 C ATOM 0 H PHE A 35 -6.046 16.458 0.392 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.586 18.822 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.744 16.544 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.736 16.554 1.181 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.005 18.445 0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.969 17.495 4.620 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.235 19.601 2.209 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.194 18.645 5.873 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.323 19.701 4.668 1.00 0.00 H new ATOM 505 N LEU A 36 -4.581 18.654 -1.052 1.00 0.00 N ATOM 506 CA LEU A 36 -3.938 19.398 -2.128 1.00 0.00 C ATOM 507 C LEU A 36 -4.662 20.717 -2.385 1.00 0.00 C ATOM 508 O LEU A 36 -4.029 21.758 -2.561 1.00 0.00 O ATOM 509 CB LEU A 36 -3.907 18.565 -3.409 1.00 0.00 C ATOM 510 CG LEU A 36 -3.251 19.252 -4.608 1.00 0.00 C ATOM 511 CD1 LEU A 36 -1.797 19.578 -4.305 1.00 0.00 C ATOM 512 CD2 LEU A 36 -3.357 18.376 -5.846 1.00 0.00 C ATOM 0 H LEU A 36 -5.133 17.854 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.915 19.617 -1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.377 17.634 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.929 18.298 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.778 20.186 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.346 20.066 -5.169 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.745 20.244 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.256 18.658 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.885 18.880 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.855 17.426 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.407 18.193 -6.074 1.00 0.00 H new ATOM 524 N GLU A 37 -5.992 20.666 -2.404 1.00 0.00 N ATOM 525 CA GLU A 37 -6.803 21.858 -2.638 1.00 0.00 C ATOM 526 C GLU A 37 -6.382 22.993 -1.711 1.00 0.00 C ATOM 527 O GLU A 37 -6.306 24.150 -2.124 1.00 0.00 O ATOM 528 CB GLU A 37 -8.285 21.542 -2.437 1.00 0.00 C ATOM 529 CG GLU A 37 -8.818 20.485 -3.391 1.00 0.00 C ATOM 530 CD GLU A 37 -8.753 20.918 -4.844 1.00 0.00 C ATOM 531 OE1 GLU A 37 -8.316 22.057 -5.108 1.00 0.00 O ATOM 532 OE2 GLU A 37 -9.144 20.116 -5.719 1.00 0.00 O ATOM 0 H GLU A 37 -6.531 19.812 -2.260 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.645 22.177 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.440 21.205 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.863 22.457 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.246 19.566 -3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.851 20.255 -3.131 1.00 0.00 H new ATOM 539 N GLY A 38 -6.101 22.652 -0.457 1.00 0.00 N ATOM 540 CA GLY A 38 -5.682 23.654 0.503 1.00 0.00 C ATOM 541 C GLY A 38 -4.419 24.367 0.067 1.00 0.00 C ATOM 542 O GLY A 38 -4.311 25.588 0.187 1.00 0.00 O ATOM 0 H GLY A 38 -6.156 21.702 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.481 24.383 0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.515 23.181 1.471 1.00 0.00 H new ATOM 546 N ALA A 39 -3.459 23.601 -0.443 1.00 0.00 N ATOM 547 CA ALA A 39 -2.198 24.155 -0.901 1.00 0.00 C ATOM 548 C ALA A 39 -2.401 25.104 -2.080 1.00 0.00 C ATOM 549 O ALA A 39 -1.525 25.909 -2.396 1.00 0.00 O ATOM 550 CB ALA A 39 -1.241 23.036 -1.285 1.00 0.00 C ATOM 0 H ALA A 39 -3.536 22.589 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.767 24.729 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.299 23.464 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.058 22.401 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.680 22.440 -2.085 1.00 0.00 H new ATOM 556 N ALA A 40 -3.554 25.000 -2.733 1.00 0.00 N ATOM 557 CA ALA A 40 -3.863 25.841 -3.878 1.00 0.00 C ATOM 558 C ALA A 40 -3.811 27.318 -3.509 1.00 0.00 C ATOM 559 O ALA A 40 -3.347 28.148 -4.291 1.00 0.00 O ATOM 560 CB ALA A 40 -5.228 25.483 -4.443 1.00 0.00 C ATOM 0 H ALA A 40 -4.290 24.339 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.107 25.660 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.446 26.121 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.229 24.439 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.989 25.632 -3.677 1.00 0.00 H new ATOM 566 N ARG A 41 -4.293 27.640 -2.314 1.00 0.00 N ATOM 567 CA ARG A 41 -4.302 29.020 -1.845 1.00 0.00 C ATOM 568 C ARG A 41 -2.981 29.383 -1.187 1.00 0.00 C ATOM 569 O ARG A 41 -2.508 30.514 -1.298 1.00 0.00 O ATOM 570 CB ARG A 41 -5.440 29.250 -0.852 1.00 0.00 C ATOM 571 CG ARG A 41 -6.823 29.133 -1.463 1.00 0.00 C ATOM 572 CD ARG A 41 -7.214 27.684 -1.717 1.00 0.00 C ATOM 573 NE ARG A 41 -7.264 26.908 -0.480 1.00 0.00 N ATOM 574 CZ ARG A 41 -8.149 27.119 0.493 1.00 0.00 C ATOM 575 NH1 ARG A 41 -9.093 28.042 0.353 1.00 0.00 N ATOM 576 NH2 ARG A 41 -8.100 26.396 1.604 1.00 0.00 N ATOM 0 H ARG A 41 -4.682 26.966 -1.654 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.451 29.658 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.351 28.529 -0.039 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.331 30.241 -0.413 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.553 29.594 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.853 29.686 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.188 27.651 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.498 27.230 -2.402 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.581 26.161 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.143 28.594 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.768 28.199 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.384 25.678 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.778 26.558 2.348 1.00 0.00 H new ATOM 590 N GLN A 42 -2.395 28.419 -0.492 1.00 0.00 N ATOM 591 CA GLN A 42 -1.134 28.643 0.195 1.00 0.00 C ATOM 592 C GLN A 42 0.046 28.461 -0.758 1.00 0.00 C ATOM 593 O GLN A 42 -0.082 27.810 -1.794 1.00 0.00 O ATOM 594 CB GLN A 42 -1.004 27.684 1.381 1.00 0.00 C ATOM 595 CG GLN A 42 -2.086 27.868 2.432 1.00 0.00 C ATOM 596 CD GLN A 42 -2.087 29.262 3.028 1.00 0.00 C ATOM 597 OE1 GLN A 42 -1.099 29.697 3.621 1.00 0.00 O ATOM 598 NE2 GLN A 42 -3.199 29.971 2.875 1.00 0.00 N ATOM 0 H GLN A 42 -2.772 27.477 -0.390 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.122 29.669 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -1.036 26.658 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -0.029 27.825 1.847 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.060 27.667 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.943 27.137 3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.994 29.571 2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.258 30.915 3.256 1.00 0.00 H new ATOM 607 N PRO A 43 1.219 29.025 -0.419 1.00 0.00 N ATOM 608 CA PRO A 43 2.415 28.903 -1.256 1.00 0.00 C ATOM 609 C PRO A 43 2.839 27.453 -1.408 1.00 0.00 C ATOM 610 O PRO A 43 2.553 26.628 -0.548 1.00 0.00 O ATOM 611 CB PRO A 43 3.481 29.704 -0.500 1.00 0.00 C ATOM 612 CG PRO A 43 2.977 29.804 0.899 1.00 0.00 C ATOM 613 CD PRO A 43 1.478 29.809 0.801 1.00 0.00 C ATOM 0 HA PRO A 43 2.249 29.270 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.448 29.203 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.618 30.692 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 43 3.326 28.964 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.339 30.712 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.015 29.355 1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.083 30.822 0.721 1.00 0.00 H new ATOM 621 N ASP A 44 3.523 27.143 -2.500 1.00 0.00 N ATOM 622 CA ASP A 44 3.977 25.780 -2.743 1.00 0.00 C ATOM 623 C ASP A 44 5.287 25.505 -2.013 1.00 0.00 C ATOM 624 O ASP A 44 6.172 24.831 -2.540 1.00 0.00 O ATOM 625 CB ASP A 44 4.150 25.537 -4.244 1.00 0.00 C ATOM 626 CG ASP A 44 2.854 25.716 -5.011 1.00 0.00 C ATOM 627 OD1 ASP A 44 2.287 26.828 -4.968 1.00 0.00 O ATOM 628 OD2 ASP A 44 2.407 24.744 -5.656 1.00 0.00 O ATOM 0 H ASP A 44 3.775 27.812 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 44 3.220 25.097 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.899 26.224 -4.637 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.528 24.527 -4.405 1.00 0.00 H new ATOM 633 N LEU A 45 5.408 26.033 -0.799 1.00 0.00 N ATOM 634 CA LEU A 45 6.616 25.844 -0.005 1.00 0.00 C ATOM 635 C LEU A 45 6.364 24.918 1.176 1.00 0.00 C ATOM 636 O LEU A 45 7.012 23.879 1.316 1.00 0.00 O ATOM 637 CB LEU A 45 7.143 27.198 0.484 1.00 0.00 C ATOM 638 CG LEU A 45 8.513 27.168 1.171 1.00 0.00 C ATOM 639 CD1 LEU A 45 8.449 26.405 2.485 1.00 0.00 C ATOM 640 CD2 LEU A 45 9.555 26.554 0.249 1.00 0.00 C ATOM 0 H LEU A 45 4.687 26.593 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 45 7.368 25.377 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.199 27.875 -0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.417 27.620 1.179 1.00 0.00 H new ATOM 0 HG LEU A 45 8.804 28.195 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.434 26.399 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.735 26.888 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.132 25.380 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.522 26.540 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.262 25.535 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.628 27.147 -0.663 1.00 0.00 H new ATOM 652 N ILE A 46 5.437 25.309 2.031 1.00 0.00 N ATOM 653 CA ILE A 46 5.109 24.532 3.216 1.00 0.00 C ATOM 654 C ILE A 46 4.110 23.411 2.923 1.00 0.00 C ATOM 655 O ILE A 46 4.313 22.273 3.347 1.00 0.00 O ATOM 656 CB ILE A 46 4.536 25.450 4.306 1.00 0.00 C ATOM 657 CG1 ILE A 46 5.583 26.478 4.741 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.045 24.643 5.502 1.00 0.00 C ATOM 659 CD1 ILE A 46 5.095 27.418 5.821 1.00 0.00 C ATOM 0 H ILE A 46 4.894 26.166 1.927 1.00 0.00 H new ATOM 0 HA ILE A 46 6.035 24.070 3.559 1.00 0.00 H new ATOM 0 HB ILE A 46 3.680 25.980 3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.468 25.953 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.889 27.062 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.645 25.319 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.263 23.955 5.180 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.875 24.077 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.889 28.119 6.080 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.228 27.970 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.816 26.844 6.704 1.00 0.00 H new ATOM 671 N PRO A 47 3.006 23.707 2.212 1.00 0.00 N ATOM 672 CA PRO A 47 1.993 22.699 1.907 1.00 0.00 C ATOM 673 C PRO A 47 2.437 21.724 0.825 1.00 0.00 C ATOM 674 O PRO A 47 2.096 20.545 0.873 1.00 0.00 O ATOM 675 CB PRO A 47 0.795 23.523 1.441 1.00 0.00 C ATOM 676 CG PRO A 47 1.389 24.768 0.884 1.00 0.00 C ATOM 677 CD PRO A 47 2.650 25.030 1.667 1.00 0.00 C ATOM 0 HA PRO A 47 1.779 22.069 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.216 22.989 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.119 23.742 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.609 24.652 -0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.695 25.603 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.441 25.427 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.484 25.758 2.461 1.00 0.00 H new ATOM 685 N LEU A 48 3.208 22.208 -0.146 1.00 0.00 N ATOM 686 CA LEU A 48 3.693 21.342 -1.215 1.00 0.00 C ATOM 687 C LEU A 48 4.495 20.197 -0.611 1.00 0.00 C ATOM 688 O LEU A 48 4.392 19.048 -1.044 1.00 0.00 O ATOM 689 CB LEU A 48 4.553 22.137 -2.207 1.00 0.00 C ATOM 690 CG LEU A 48 4.995 21.369 -3.460 1.00 0.00 C ATOM 691 CD1 LEU A 48 5.651 22.310 -4.457 1.00 0.00 C ATOM 692 CD2 LEU A 48 5.952 20.241 -3.097 1.00 0.00 C ATOM 0 H LEU A 48 3.506 23.181 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 48 2.841 20.936 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.994 23.019 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.443 22.492 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 48 4.107 20.933 -3.919 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.958 21.749 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.941 23.084 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.525 22.773 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.251 19.712 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.835 20.655 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.456 19.547 -2.418 1.00 0.00 H new ATOM 704 N LEU A 49 5.274 20.527 0.415 1.00 0.00 N ATOM 705 CA LEU A 49 6.085 19.553 1.120 1.00 0.00 C ATOM 706 C LEU A 49 5.193 18.615 1.929 1.00 0.00 C ATOM 707 O LEU A 49 5.495 17.431 2.094 1.00 0.00 O ATOM 708 CB LEU A 49 7.081 20.295 2.021 1.00 0.00 C ATOM 709 CG LEU A 49 7.309 19.693 3.406 1.00 0.00 C ATOM 710 CD1 LEU A 49 7.801 18.257 3.300 1.00 0.00 C ATOM 711 CD2 LEU A 49 8.294 20.541 4.199 1.00 0.00 C ATOM 0 H LEU A 49 5.357 21.477 0.777 1.00 0.00 H new ATOM 0 HA LEU A 49 6.642 18.944 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.040 20.344 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.734 21.321 2.145 1.00 0.00 H new ATOM 0 HG LEU A 49 6.356 19.684 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.956 17.851 4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.059 17.656 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.741 18.234 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.445 20.098 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 49 9.246 20.583 3.670 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.897 21.550 4.312 1.00 0.00 H new ATOM 723 N ARG A 50 4.086 19.153 2.420 1.00 0.00 N ATOM 724 CA ARG A 50 3.138 18.373 3.199 1.00 0.00 C ATOM 725 C ARG A 50 2.344 17.456 2.276 1.00 0.00 C ATOM 726 O ARG A 50 2.208 16.253 2.525 1.00 0.00 O ATOM 727 CB ARG A 50 2.206 19.313 3.965 1.00 0.00 C ATOM 728 CG ARG A 50 2.014 18.937 5.424 1.00 0.00 C ATOM 729 CD ARG A 50 1.408 17.554 5.573 1.00 0.00 C ATOM 730 NE ARG A 50 1.275 17.165 6.976 1.00 0.00 N ATOM 731 CZ ARG A 50 0.460 17.763 7.842 1.00 0.00 C ATOM 732 NH1 ARG A 50 -0.339 18.745 7.446 1.00 0.00 N ATOM 733 NH2 ARG A 50 0.429 17.365 9.106 1.00 0.00 N ATOM 0 H ARG A 50 3.822 20.130 2.292 1.00 0.00 H new ATOM 0 HA ARG A 50 3.675 17.756 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.604 20.326 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.234 19.325 3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.975 18.970 5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.369 19.671 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.428 17.534 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.031 16.827 5.052 1.00 0.00 H new ATOM 0 HE ARG A 50 1.842 16.387 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.332 19.047 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.961 19.198 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.030 16.601 9.415 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.195 17.823 9.770 1.00 0.00 H new ATOM 747 N THR A 51 1.845 18.033 1.192 1.00 0.00 N ATOM 748 CA THR A 51 1.087 17.288 0.199 1.00 0.00 C ATOM 749 C THR A 51 1.878 16.065 -0.255 1.00 0.00 C ATOM 750 O THR A 51 1.346 14.956 -0.318 1.00 0.00 O ATOM 751 CB THR A 51 0.787 18.189 -0.995 1.00 0.00 C ATOM 752 OG1 THR A 51 -0.026 19.285 -0.608 1.00 0.00 O ATOM 753 CG2 THR A 51 0.093 17.475 -2.137 1.00 0.00 C ATOM 0 H THR A 51 1.954 19.024 0.978 1.00 0.00 H new ATOM 0 HA THR A 51 0.149 16.953 0.641 1.00 0.00 H new ATOM 0 HB THR A 51 1.762 18.527 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.502 19.910 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.088 18.179 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.724 16.662 -2.495 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.857 17.070 -1.789 1.00 0.00 H new ATOM 761 N GLN A 52 3.161 16.272 -0.555 1.00 0.00 N ATOM 762 CA GLN A 52 4.020 15.180 -0.983 1.00 0.00 C ATOM 763 C GLN A 52 4.180 14.179 0.146 1.00 0.00 C ATOM 764 O GLN A 52 4.072 12.972 -0.059 1.00 0.00 O ATOM 765 CB GLN A 52 5.387 15.704 -1.419 1.00 0.00 C ATOM 766 CG GLN A 52 6.089 16.542 -0.368 1.00 0.00 C ATOM 767 CD GLN A 52 7.487 16.954 -0.787 1.00 0.00 C ATOM 768 OE1 GLN A 52 7.668 17.636 -1.798 1.00 0.00 O ATOM 769 NE2 GLN A 52 8.484 16.543 -0.013 1.00 0.00 N ATOM 0 H GLN A 52 3.621 17.181 -0.508 1.00 0.00 H new ATOM 0 HA GLN A 52 3.556 14.687 -1.837 1.00 0.00 H new ATOM 0 HB2 GLN A 52 6.023 14.858 -1.679 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.265 16.301 -2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.497 17.434 -0.166 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.144 15.978 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.288 15.980 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.446 16.790 -0.246 1.00 0.00 H new ATOM 778 N PHE A 53 4.423 14.696 1.344 1.00 0.00 N ATOM 779 CA PHE A 53 4.579 13.853 2.527 1.00 0.00 C ATOM 780 C PHE A 53 3.465 12.816 2.575 1.00 0.00 C ATOM 781 O PHE A 53 3.693 11.659 2.925 1.00 0.00 O ATOM 782 CB PHE A 53 4.567 14.702 3.799 1.00 0.00 C ATOM 783 CG PHE A 53 4.728 13.901 5.059 1.00 0.00 C ATOM 784 CD1 PHE A 53 5.863 13.135 5.270 1.00 0.00 C ATOM 785 CD2 PHE A 53 3.743 13.913 6.034 1.00 0.00 C ATOM 786 CE1 PHE A 53 6.014 12.397 6.428 1.00 0.00 C ATOM 787 CE2 PHE A 53 3.887 13.176 7.194 1.00 0.00 C ATOM 788 CZ PHE A 53 5.024 12.418 7.391 1.00 0.00 C ATOM 0 H PHE A 53 4.517 15.696 1.524 1.00 0.00 H new ATOM 0 HA PHE A 53 5.539 13.341 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.369 15.438 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.629 15.255 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.640 13.115 4.520 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.852 14.505 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.904 11.805 6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.111 13.193 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.139 11.842 8.297 1.00 0.00 H new ATOM 798 N PHE A 54 2.264 13.236 2.191 1.00 0.00 N ATOM 799 CA PHE A 54 1.122 12.331 2.162 1.00 0.00 C ATOM 800 C PHE A 54 1.249 11.350 1.001 1.00 0.00 C ATOM 801 O PHE A 54 1.136 10.134 1.183 1.00 0.00 O ATOM 802 CB PHE A 54 -0.188 13.113 2.063 1.00 0.00 C ATOM 803 CG PHE A 54 -0.688 13.593 3.394 1.00 0.00 C ATOM 804 CD1 PHE A 54 0.113 14.376 4.209 1.00 0.00 C ATOM 805 CD2 PHE A 54 -1.955 13.251 3.836 1.00 0.00 C ATOM 806 CE1 PHE A 54 -0.343 14.809 5.438 1.00 0.00 C ATOM 807 CE2 PHE A 54 -2.416 13.683 5.064 1.00 0.00 C ATOM 808 CZ PHE A 54 -1.609 14.463 5.866 1.00 0.00 C ATOM 0 H PHE A 54 2.057 14.191 1.898 1.00 0.00 H new ATOM 0 HA PHE A 54 1.110 11.765 3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.044 13.970 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.948 12.481 1.602 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.104 14.650 3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.590 12.639 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.291 15.419 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.407 13.411 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.967 14.802 6.827 1.00 0.00 H new ATOM 818 N ILE A 55 1.507 11.881 -0.193 1.00 0.00 N ATOM 819 CA ILE A 55 1.670 11.048 -1.378 1.00 0.00 C ATOM 820 C ILE A 55 2.646 9.909 -1.100 1.00 0.00 C ATOM 821 O ILE A 55 2.349 8.742 -1.358 1.00 0.00 O ATOM 822 CB ILE A 55 2.173 11.874 -2.580 1.00 0.00 C ATOM 823 CG1 ILE A 55 1.180 12.992 -2.907 1.00 0.00 C ATOM 824 CG2 ILE A 55 2.383 10.980 -3.793 1.00 0.00 C ATOM 825 CD1 ILE A 55 1.618 13.874 -4.056 1.00 0.00 C ATOM 0 H ILE A 55 1.607 12.882 -0.363 1.00 0.00 H new ATOM 0 HA ILE A 55 0.692 10.635 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 55 3.130 12.323 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.213 12.549 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.036 13.609 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.738 11.581 -4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.122 10.214 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.440 10.504 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.866 14.643 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.570 14.346 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.734 13.269 -4.955 1.00 0.00 H new ATOM 837 N VAL A 56 3.807 10.256 -0.555 1.00 0.00 N ATOM 838 CA VAL A 56 4.813 9.262 -0.224 1.00 0.00 C ATOM 839 C VAL A 56 4.340 8.412 0.941 1.00 0.00 C ATOM 840 O VAL A 56 4.486 7.190 0.931 1.00 0.00 O ATOM 841 CB VAL A 56 6.167 9.910 0.124 1.00 0.00 C ATOM 842 CG1 VAL A 56 7.222 8.847 0.397 1.00 0.00 C ATOM 843 CG2 VAL A 56 6.615 10.842 -0.992 1.00 0.00 C ATOM 0 H VAL A 56 4.071 11.216 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 56 4.957 8.636 -1.104 1.00 0.00 H new ATOM 0 HB VAL A 56 6.040 10.499 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.169 9.328 0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.905 8.226 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.349 8.224 -0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.573 11.291 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.721 10.276 -1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.872 11.628 -1.130 1.00 0.00 H new ATOM 853 N MET A 57 3.739 9.061 1.935 1.00 0.00 N ATOM 854 CA MET A 57 3.211 8.348 3.090 1.00 0.00 C ATOM 855 C MET A 57 2.335 7.187 2.625 1.00 0.00 C ATOM 856 O MET A 57 2.180 6.188 3.330 1.00 0.00 O ATOM 857 CB MET A 57 2.402 9.294 3.981 1.00 0.00 C ATOM 858 CG MET A 57 1.749 8.604 5.170 1.00 0.00 C ATOM 859 SD MET A 57 0.832 9.747 6.221 1.00 0.00 S ATOM 860 CE MET A 57 0.209 8.628 7.473 1.00 0.00 C ATOM 0 H MET A 57 3.607 10.072 1.963 1.00 0.00 H new ATOM 0 HA MET A 57 4.045 7.956 3.672 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.057 10.085 4.346 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.629 9.773 3.380 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.074 7.828 4.809 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.517 8.108 5.763 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.381 9.187 8.199 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.417 7.869 7.004 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.046 8.146 7.979 1.00 0.00 H new ATOM 870 N GLY A 58 1.767 7.330 1.428 1.00 0.00 N ATOM 871 CA GLY A 58 0.920 6.294 0.879 1.00 0.00 C ATOM 872 C GLY A 58 1.692 5.254 0.089 1.00 0.00 C ATOM 873 O GLY A 58 1.717 4.081 0.461 1.00 0.00 O ATOM 0 H GLY A 58 1.882 8.149 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.385 5.802 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.170 6.750 0.233 1.00 0.00 H new ATOM 877 N LEU A 59 2.324 5.676 -1.004 1.00 0.00 N ATOM 878 CA LEU A 59 3.096 4.758 -1.843 1.00 0.00 C ATOM 879 C LEU A 59 4.063 3.931 -0.998 1.00 0.00 C ATOM 880 O LEU A 59 4.410 2.804 -1.352 1.00 0.00 O ATOM 881 CB LEU A 59 3.865 5.539 -2.913 1.00 0.00 C ATOM 882 CG LEU A 59 4.944 6.485 -2.383 1.00 0.00 C ATOM 883 CD1 LEU A 59 6.169 5.710 -1.916 1.00 0.00 C ATOM 884 CD2 LEU A 59 5.325 7.506 -3.446 1.00 0.00 C ATOM 0 H LEU A 59 2.318 6.643 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 59 2.400 4.076 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.332 4.827 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.152 6.119 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 59 4.537 7.017 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.920 6.407 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.883 5.024 -1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.581 5.143 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.094 8.171 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.708 6.989 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.447 8.089 -3.721 1.00 0.00 H new ATOM 896 N VAL A 60 4.487 4.502 0.123 1.00 0.00 N ATOM 897 CA VAL A 60 5.408 3.832 1.034 1.00 0.00 C ATOM 898 C VAL A 60 4.734 2.645 1.702 1.00 0.00 C ATOM 899 O VAL A 60 5.385 1.686 2.102 1.00 0.00 O ATOM 900 CB VAL A 60 5.905 4.802 2.120 1.00 0.00 C ATOM 901 CG1 VAL A 60 4.793 5.138 3.104 1.00 0.00 C ATOM 902 CG2 VAL A 60 7.117 4.231 2.840 1.00 0.00 C ATOM 0 H VAL A 60 4.205 5.435 0.425 1.00 0.00 H new ATOM 0 HA VAL A 60 6.257 3.483 0.446 1.00 0.00 H new ATOM 0 HB VAL A 60 6.208 5.728 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.172 5.825 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.965 5.606 2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.445 4.224 3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.451 4.934 3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.849 3.285 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.921 4.065 2.123 1.00 0.00 H new ATOM 912 N ASP A 61 3.421 2.745 1.829 1.00 0.00 N ATOM 913 CA ASP A 61 2.614 1.702 2.457 1.00 0.00 C ATOM 914 C ASP A 61 2.468 0.483 1.544 1.00 0.00 C ATOM 915 O ASP A 61 2.196 -0.624 2.008 1.00 0.00 O ATOM 916 CB ASP A 61 1.238 2.264 2.800 1.00 0.00 C ATOM 917 CG ASP A 61 0.376 1.284 3.574 1.00 0.00 C ATOM 918 OD1 ASP A 61 0.863 0.178 3.886 1.00 0.00 O ATOM 919 OD2 ASP A 61 -0.788 1.626 3.872 1.00 0.00 O ATOM 0 H ASP A 61 2.882 3.547 1.502 1.00 0.00 H new ATOM 0 HA ASP A 61 3.119 1.378 3.367 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.359 3.175 3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.725 2.543 1.879 1.00 0.00 H new ATOM 924 N ALA A 62 2.649 0.698 0.246 1.00 0.00 N ATOM 925 CA ALA A 62 2.540 -0.383 -0.743 1.00 0.00 C ATOM 926 C ALA A 62 3.832 -1.183 -0.828 1.00 0.00 C ATOM 927 O ALA A 62 3.845 -2.396 -0.626 1.00 0.00 O ATOM 928 CB ALA A 62 2.215 0.198 -2.110 1.00 0.00 C ATOM 0 H ALA A 62 2.872 1.610 -0.152 1.00 0.00 H new ATOM 0 HA ALA A 62 1.740 -1.051 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.136 -0.609 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.269 0.737 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.007 0.883 -2.412 1.00 0.00 H new ATOM 934 N ILE A 63 4.918 -0.480 -1.118 1.00 0.00 N ATOM 935 CA ILE A 63 6.247 -1.078 -1.232 1.00 0.00 C ATOM 936 C ILE A 63 6.505 -2.200 -0.226 1.00 0.00 C ATOM 937 O ILE A 63 7.152 -3.196 -0.557 1.00 0.00 O ATOM 938 CB ILE A 63 7.332 0.007 -1.058 1.00 0.00 C ATOM 939 CG1 ILE A 63 7.620 0.665 -2.401 1.00 0.00 C ATOM 940 CG2 ILE A 63 8.614 -0.570 -0.466 1.00 0.00 C ATOM 941 CD1 ILE A 63 8.163 -0.314 -3.416 1.00 0.00 C ATOM 0 H ILE A 63 4.905 0.527 -1.282 1.00 0.00 H new ATOM 0 HA ILE A 63 6.291 -1.521 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 63 6.955 0.754 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.705 1.114 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.337 1.474 -2.260 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.354 0.223 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.401 -1.003 0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.004 -1.343 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.352 0.204 -4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.093 -0.744 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.436 -1.109 -3.580 1.00 0.00 H new ATOM 953 N PRO A 64 6.028 -2.062 1.017 1.00 0.00 N ATOM 954 CA PRO A 64 6.246 -3.061 2.050 1.00 0.00 C ATOM 955 C PRO A 64 5.235 -4.189 1.945 1.00 0.00 C ATOM 956 O PRO A 64 5.598 -5.352 1.765 1.00 0.00 O ATOM 957 CB PRO A 64 6.068 -2.264 3.359 1.00 0.00 C ATOM 958 CG PRO A 64 5.790 -0.848 2.938 1.00 0.00 C ATOM 959 CD PRO A 64 5.251 -0.945 1.542 1.00 0.00 C ATOM 0 HA PRO A 64 7.221 -3.544 1.978 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.246 -2.665 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.964 -2.320 3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.070 -0.374 3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.697 -0.244 2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.180 -1.146 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.412 -0.029 0.974 1.00 0.00 H new ATOM 967 N MET A 65 3.963 -3.828 2.024 1.00 0.00 N ATOM 968 CA MET A 65 2.887 -4.787 1.904 1.00 0.00 C ATOM 969 C MET A 65 2.983 -5.526 0.572 1.00 0.00 C ATOM 970 O MET A 65 2.475 -6.639 0.426 1.00 0.00 O ATOM 971 CB MET A 65 1.552 -4.062 2.035 1.00 0.00 C ATOM 972 CG MET A 65 1.072 -3.953 3.475 1.00 0.00 C ATOM 973 SD MET A 65 0.759 -5.563 4.224 1.00 0.00 S ATOM 974 CE MET A 65 0.216 -5.074 5.859 1.00 0.00 C ATOM 0 H MET A 65 3.654 -2.867 2.172 1.00 0.00 H new ATOM 0 HA MET A 65 2.965 -5.527 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.645 -3.062 1.613 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.800 -4.588 1.446 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.819 -3.421 4.064 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.159 -3.358 3.506 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.016 -5.963 6.446 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.008 -4.510 6.352 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.675 -4.451 5.775 1.00 0.00 H new ATOM 984 N ILE A 66 3.667 -4.910 -0.388 1.00 0.00 N ATOM 985 CA ILE A 66 3.857 -5.519 -1.691 1.00 0.00 C ATOM 986 C ILE A 66 5.059 -6.444 -1.675 1.00 0.00 C ATOM 987 O ILE A 66 4.981 -7.558 -2.172 1.00 0.00 O ATOM 988 CB ILE A 66 4.013 -4.458 -2.806 1.00 0.00 C ATOM 989 CG1 ILE A 66 2.708 -3.678 -2.980 1.00 0.00 C ATOM 990 CG2 ILE A 66 4.431 -5.100 -4.126 1.00 0.00 C ATOM 991 CD1 ILE A 66 2.791 -2.588 -4.026 1.00 0.00 C ATOM 0 H ILE A 66 4.097 -3.991 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 66 2.962 -6.101 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 66 4.801 -3.766 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.913 -4.372 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.430 -3.233 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.532 -4.329 -4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.386 -5.610 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.674 -5.820 -4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.831 -2.077 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.564 -1.872 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.039 -3.029 -4.992 1.00 0.00 H new ATOM 1003 N ALA A 67 6.163 -6.001 -1.084 1.00 0.00 N ATOM 1004 CA ALA A 67 7.347 -6.846 -1.003 1.00 0.00 C ATOM 1005 C ALA A 67 7.012 -8.102 -0.210 1.00 0.00 C ATOM 1006 O ALA A 67 7.489 -9.198 -0.518 1.00 0.00 O ATOM 1007 CB ALA A 67 8.504 -6.095 -0.362 1.00 0.00 C ATOM 0 H ALA A 67 6.263 -5.078 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 67 7.656 -7.129 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.377 -6.746 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.741 -5.214 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.224 -5.786 0.645 1.00 0.00 H new ATOM 1013 N VAL A 68 6.158 -7.941 0.799 1.00 0.00 N ATOM 1014 CA VAL A 68 5.733 -9.068 1.611 1.00 0.00 C ATOM 1015 C VAL A 68 4.799 -9.953 0.807 1.00 0.00 C ATOM 1016 O VAL A 68 4.975 -11.170 0.759 1.00 0.00 O ATOM 1017 CB VAL A 68 5.036 -8.622 2.911 1.00 0.00 C ATOM 1018 CG1 VAL A 68 3.762 -7.854 2.613 1.00 0.00 C ATOM 1019 CG2 VAL A 68 4.751 -9.821 3.803 1.00 0.00 C ATOM 0 H VAL A 68 5.752 -7.045 1.069 1.00 0.00 H new ATOM 0 HA VAL A 68 6.627 -9.624 1.894 1.00 0.00 H new ATOM 0 HB VAL A 68 5.711 -7.952 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.292 -7.552 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.000 -6.968 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.077 -8.489 2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.259 -9.486 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.102 -10.520 3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.688 -10.317 4.057 1.00 0.00 H new ATOM 1029 N GLY A 69 3.825 -9.335 0.135 1.00 0.00 N ATOM 1030 CA GLY A 69 2.919 -10.113 -0.689 1.00 0.00 C ATOM 1031 C GLY A 69 3.686 -10.841 -1.773 1.00 0.00 C ATOM 1032 O GLY A 69 3.296 -11.918 -2.222 1.00 0.00 O ATOM 0 H GLY A 69 3.652 -8.330 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.381 -10.831 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.173 -9.458 -1.139 1.00 0.00 H new ATOM 1036 N LEU A 70 4.799 -10.236 -2.166 1.00 0.00 N ATOM 1037 CA LEU A 70 5.684 -10.784 -3.176 1.00 0.00 C ATOM 1038 C LEU A 70 6.486 -11.935 -2.590 1.00 0.00 C ATOM 1039 O LEU A 70 6.837 -12.885 -3.281 1.00 0.00 O ATOM 1040 CB LEU A 70 6.624 -9.685 -3.673 1.00 0.00 C ATOM 1041 CG LEU A 70 6.640 -9.499 -5.182 1.00 0.00 C ATOM 1042 CD1 LEU A 70 7.563 -8.356 -5.574 1.00 0.00 C ATOM 1043 CD2 LEU A 70 7.052 -10.787 -5.876 1.00 0.00 C ATOM 0 H LEU A 70 5.113 -9.343 -1.787 1.00 0.00 H new ATOM 0 HA LEU A 70 5.095 -11.159 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.337 -8.742 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.636 -9.912 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 70 5.631 -9.245 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.559 -8.241 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.216 -7.433 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.576 -8.574 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.057 -10.633 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.050 -11.075 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.345 -11.578 -5.626 1.00 0.00 H new ATOM 1055 N GLY A 71 6.758 -11.836 -1.298 1.00 0.00 N ATOM 1056 CA GLY A 71 7.505 -12.870 -0.610 1.00 0.00 C ATOM 1057 C GLY A 71 6.682 -14.126 -0.427 1.00 0.00 C ATOM 1058 O GLY A 71 7.116 -15.221 -0.785 1.00 0.00 O ATOM 0 H GLY A 71 6.473 -11.053 -0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.407 -13.105 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.826 -12.500 0.364 1.00 0.00 H new ATOM 1062 N LEU A 72 5.480 -13.965 0.120 1.00 0.00 N ATOM 1063 CA LEU A 72 4.582 -15.092 0.336 1.00 0.00 C ATOM 1064 C LEU A 72 4.121 -15.666 -0.997 1.00 0.00 C ATOM 1065 O LEU A 72 3.972 -16.881 -1.154 1.00 0.00 O ATOM 1066 CB LEU A 72 3.371 -14.659 1.170 1.00 0.00 C ATOM 1067 CG LEU A 72 3.663 -14.396 2.647 1.00 0.00 C ATOM 1068 CD1 LEU A 72 4.561 -13.181 2.816 1.00 0.00 C ATOM 1069 CD2 LEU A 72 2.366 -14.215 3.423 1.00 0.00 C ATOM 0 H LEU A 72 5.107 -13.065 0.421 1.00 0.00 H new ATOM 0 HA LEU A 72 5.124 -15.864 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.952 -13.753 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.605 -15.431 1.099 1.00 0.00 H new ATOM 0 HG LEU A 72 4.189 -15.263 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.754 -13.016 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.505 -13.351 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.069 -12.304 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.593 -14.029 4.473 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.813 -13.369 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.762 -15.118 3.337 1.00 0.00 H new ATOM 1081 N TYR A 73 3.912 -14.783 -1.963 1.00 0.00 N ATOM 1082 CA TYR A 73 3.478 -15.198 -3.291 1.00 0.00 C ATOM 1083 C TYR A 73 4.610 -15.938 -3.997 1.00 0.00 C ATOM 1084 O TYR A 73 4.469 -17.107 -4.380 1.00 0.00 O ATOM 1085 CB TYR A 73 3.030 -13.978 -4.095 1.00 0.00 C ATOM 1086 CG TYR A 73 2.384 -14.315 -5.417 1.00 0.00 C ATOM 1087 CD1 TYR A 73 3.142 -14.778 -6.486 1.00 0.00 C ATOM 1088 CD2 TYR A 73 1.013 -14.165 -5.597 1.00 0.00 C ATOM 1089 CE1 TYR A 73 2.553 -15.080 -7.698 1.00 0.00 C ATOM 1090 CE2 TYR A 73 0.417 -14.468 -6.806 1.00 0.00 C ATOM 1091 CZ TYR A 73 1.191 -14.923 -7.854 1.00 0.00 C ATOM 1092 OH TYR A 73 0.603 -15.221 -9.061 1.00 0.00 O ATOM 0 H TYR A 73 4.035 -13.776 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 73 2.630 -15.877 -3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.327 -13.400 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.894 -13.339 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.208 -14.904 -6.367 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.405 -13.806 -4.779 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.156 -15.437 -8.520 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.649 -14.349 -6.930 1.00 0.00 H new ATOM 0 HH TYR A 73 1.112 -15.930 -9.506 1.00 0.00 H new ATOM 1102 N VAL A 74 5.751 -15.271 -4.134 1.00 0.00 N ATOM 1103 CA VAL A 74 6.913 -15.890 -4.754 1.00 0.00 C ATOM 1104 C VAL A 74 7.276 -17.165 -4.001 1.00 0.00 C ATOM 1105 O VAL A 74 7.852 -18.092 -4.570 1.00 0.00 O ATOM 1106 CB VAL A 74 8.128 -14.940 -4.780 1.00 0.00 C ATOM 1107 CG1 VAL A 74 9.360 -15.649 -5.326 1.00 0.00 C ATOM 1108 CG2 VAL A 74 7.819 -13.702 -5.607 1.00 0.00 C ATOM 0 H VAL A 74 5.894 -14.309 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 74 6.653 -16.124 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 74 8.338 -14.631 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.203 -14.958 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.598 -16.504 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.162 -15.992 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.687 -13.043 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.579 -13.997 -6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.969 -13.177 -5.172 1.00 0.00 H new ATOM 1118 N MET A 75 6.903 -17.214 -2.721 1.00 0.00 N ATOM 1119 CA MET A 75 7.160 -18.387 -1.903 1.00 0.00 C ATOM 1120 C MET A 75 6.380 -19.554 -2.476 1.00 0.00 C ATOM 1121 O MET A 75 6.947 -20.605 -2.776 1.00 0.00 O ATOM 1122 CB MET A 75 6.771 -18.143 -0.445 1.00 0.00 C ATOM 1123 CG MET A 75 7.023 -19.338 0.460 1.00 0.00 C ATOM 1124 SD MET A 75 6.561 -19.022 2.173 1.00 0.00 S ATOM 1125 CE MET A 75 7.633 -17.640 2.563 1.00 0.00 C ATOM 0 H MET A 75 6.424 -16.455 -2.235 1.00 0.00 H new ATOM 0 HA MET A 75 8.227 -18.609 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 75 7.330 -17.287 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.714 -17.879 -0.399 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.461 -20.195 0.088 1.00 0.00 H new ATOM 0 HG3 MET A 75 8.079 -19.606 0.416 1.00 0.00 H new ATOM 0 HE1 MET A 75 7.765 -17.575 3.643 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.603 -17.786 2.087 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.184 -16.717 2.196 1.00 0.00 H new ATOM 1135 N PHE A 76 5.080 -19.345 -2.678 1.00 0.00 N ATOM 1136 CA PHE A 76 4.247 -20.375 -3.277 1.00 0.00 C ATOM 1137 C PHE A 76 4.896 -20.844 -4.573 1.00 0.00 C ATOM 1138 O PHE A 76 4.850 -22.023 -4.921 1.00 0.00 O ATOM 1139 CB PHE A 76 2.836 -19.847 -3.558 1.00 0.00 C ATOM 1140 CG PHE A 76 2.076 -20.678 -4.555 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.384 -20.602 -5.905 1.00 0.00 C ATOM 1142 CD2 PHE A 76 1.070 -21.541 -4.150 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.704 -21.367 -6.831 1.00 0.00 C ATOM 1144 CE2 PHE A 76 0.386 -22.308 -5.073 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.703 -22.222 -6.415 1.00 0.00 C ATOM 0 H PHE A 76 4.590 -18.483 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 76 4.159 -21.209 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.276 -19.812 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.906 -18.824 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.166 -19.935 -6.236 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.818 -21.615 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.955 -21.297 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.397 -22.975 -4.745 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.169 -22.822 -7.137 1.00 0.00 H new ATOM 1155 N ALA A 77 5.505 -19.894 -5.281 1.00 0.00 N ATOM 1156 CA ALA A 77 6.173 -20.188 -6.543 1.00 0.00 C ATOM 1157 C ALA A 77 7.256 -21.247 -6.359 1.00 0.00 C ATOM 1158 O ALA A 77 7.552 -22.012 -7.277 1.00 0.00 O ATOM 1159 CB ALA A 77 6.770 -18.919 -7.132 1.00 0.00 C ATOM 0 H ALA A 77 5.548 -18.914 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 77 5.429 -20.583 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.266 -19.153 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.977 -18.193 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.496 -18.501 -6.435 1.00 0.00 H new ATOM 1165 N VAL A 78 7.841 -21.288 -5.167 1.00 0.00 N ATOM 1166 CA VAL A 78 8.890 -22.253 -4.864 1.00 0.00 C ATOM 1167 C VAL A 78 8.298 -23.621 -4.540 1.00 0.00 C ATOM 1168 O VAL A 78 8.900 -24.654 -4.831 1.00 0.00 O ATOM 1169 CB VAL A 78 9.759 -21.785 -3.680 1.00 0.00 C ATOM 1170 CG1 VAL A 78 10.890 -22.768 -3.418 1.00 0.00 C ATOM 1171 CG2 VAL A 78 10.304 -20.388 -3.938 1.00 0.00 C ATOM 0 H VAL A 78 7.606 -20.664 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 78 9.516 -22.332 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 78 9.133 -21.748 -2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.490 -22.417 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.474 -23.747 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.518 -22.845 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.915 -20.074 -3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.913 -20.396 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.475 -19.692 -4.065 1.00 0.00 H new ATOM 1181 N ALA A 79 7.114 -23.619 -3.936 1.00 0.00 N ATOM 1182 CA ALA A 79 6.439 -24.860 -3.573 1.00 0.00 C ATOM 1183 C ALA A 79 5.910 -25.579 -4.809 1.00 0.00 C ATOM 1184 O ALA A 79 5.363 -26.691 -4.656 1.00 0.00 O ATOM 1185 CB ALA A 79 5.305 -24.578 -2.598 1.00 0.00 C ATOM 1186 OXT ALA A 79 6.045 -25.024 -5.919 1.00 0.00 O ATOM 0 H ALA A 79 6.602 -22.772 -3.688 1.00 0.00 H new ATOM 0 HA ALA A 79 7.166 -25.512 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.810 -25.513 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.707 -24.115 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.585 -23.904 -3.062 1.00 0.00 H new TER 1192 ALA A 79