USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 617 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+ 157:sc= 1.15 (180deg=0.584) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -54:sc= 0.262 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 -177:sc=-0.00133 (180deg=-0.00829) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) 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 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.711 -32.510 0.075 1.00 0.00 N ATOM 2 CA MET A 1 13.277 -32.141 0.045 1.00 0.00 C ATOM 3 C MET A 1 12.971 -31.393 -1.283 1.00 0.00 C ATOM 4 O MET A 1 13.265 -30.201 -1.416 1.00 0.00 O ATOM 5 CB MET A 1 12.883 -31.301 1.293 1.00 0.00 C ATOM 6 CG MET A 1 12.780 -32.070 2.624 1.00 0.00 C ATOM 7 SD MET A 1 14.413 -32.554 3.222 1.00 0.00 S ATOM 8 CE MET A 1 13.954 -33.436 4.725 1.00 0.00 C ATOM 0 H1 MET A 1 15.014 -32.644 1.061 1.00 0.00 H new ATOM 0 H2 MET A 1 14.853 -33.394 -0.455 1.00 0.00 H new ATOM 0 H3 MET A 1 15.274 -31.751 -0.360 1.00 0.00 H new ATOM 0 HA MET A 1 12.670 -33.046 0.082 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.615 -30.503 1.414 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.922 -30.825 1.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.286 -31.448 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.161 -32.957 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.853 -33.803 5.220 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.421 -32.761 5.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.310 -34.278 4.471 1.00 0.00 H new ATOM 19 N GLU A 2 12.353 -32.094 -2.255 1.00 0.00 N ATOM 20 CA GLU A 2 11.892 -31.478 -3.531 1.00 0.00 C ATOM 21 C GLU A 2 10.405 -31.031 -3.400 1.00 0.00 C ATOM 22 O GLU A 2 10.159 -29.838 -3.207 1.00 0.00 O ATOM 23 CB GLU A 2 12.236 -32.431 -4.716 1.00 0.00 C ATOM 24 CG GLU A 2 11.893 -31.917 -6.137 1.00 0.00 C ATOM 25 CD GLU A 2 12.639 -30.652 -6.569 1.00 0.00 C ATOM 26 OE1 GLU A 2 12.187 -29.517 -6.434 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.862 -30.929 -7.114 1.00 0.00 O ATOM 0 H GLU A 2 12.158 -33.093 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 2 12.424 -30.554 -3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.303 -32.649 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.713 -33.374 -4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 2 12.108 -32.709 -6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.822 -31.723 -6.187 1.00 0.00 H new ATOM 35 N ASN A 3 9.425 -31.959 -3.453 1.00 0.00 N ATOM 36 CA ASN A 3 7.975 -31.627 -3.320 1.00 0.00 C ATOM 37 C ASN A 3 7.510 -30.955 -1.988 1.00 0.00 C ATOM 38 O ASN A 3 6.649 -30.076 -2.013 1.00 0.00 O ATOM 39 CB ASN A 3 7.149 -32.885 -3.711 1.00 0.00 C ATOM 40 CG ASN A 3 5.636 -32.667 -3.894 1.00 0.00 C ATOM 41 OD1 ASN A 3 4.837 -32.966 -3.011 1.00 0.00 O ATOM 42 ND2 ASN A 3 5.205 -32.152 -5.028 1.00 0.00 N ATOM 0 H ASN A 3 9.606 -32.954 -3.588 1.00 0.00 H new ATOM 0 HA ASN A 3 7.782 -30.810 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.553 -33.287 -4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.297 -33.645 -2.944 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.207 -32.001 -5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.870 -31.904 -5.761 1.00 0.00 H new ATOM 49 N LEU A 4 8.115 -31.341 -0.861 1.00 0.00 N ATOM 50 CA LEU A 4 7.924 -30.664 0.456 1.00 0.00 C ATOM 51 C LEU A 4 8.406 -29.176 0.487 1.00 0.00 C ATOM 52 O LEU A 4 7.617 -28.307 0.864 1.00 0.00 O ATOM 53 CB LEU A 4 8.564 -31.505 1.599 1.00 0.00 C ATOM 54 CG LEU A 4 7.952 -32.906 1.886 1.00 0.00 C ATOM 55 CD1 LEU A 4 8.843 -33.693 2.865 1.00 0.00 C ATOM 56 CD2 LEU A 4 6.517 -32.830 2.447 1.00 0.00 C ATOM 0 H LEU A 4 8.756 -32.133 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 4 6.848 -30.610 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.620 -31.640 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.512 -30.920 2.517 1.00 0.00 H new ATOM 0 HG LEU A 4 7.903 -33.422 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.400 -34.671 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.835 -33.822 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.926 -33.144 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.143 -33.838 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.521 -32.272 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.871 -32.327 1.727 1.00 0.00 H new ATOM 68 N ASN A 5 9.645 -28.867 0.050 1.00 0.00 N ATOM 69 CA ASN A 5 10.115 -27.463 -0.154 1.00 0.00 C ATOM 70 C ASN A 5 9.312 -26.620 -1.205 1.00 0.00 C ATOM 71 O ASN A 5 9.053 -25.440 -0.957 1.00 0.00 O ATOM 72 CB ASN A 5 11.636 -27.523 -0.469 1.00 0.00 C ATOM 73 CG ASN A 5 12.371 -26.176 -0.383 1.00 0.00 C ATOM 74 OD1 ASN A 5 12.601 -25.639 0.697 1.00 0.00 O ATOM 75 ND2 ASN A 5 12.756 -25.597 -1.503 1.00 0.00 N ATOM 0 H ASN A 5 10.349 -29.571 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 5 9.925 -26.912 0.767 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.107 -28.222 0.222 1.00 0.00 H new ATOM 0 HB3 ASN A 5 11.768 -27.929 -1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.245 -24.702 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.565 -26.044 -2.400 1.00 0.00 H new ATOM 82 N MET A 6 8.905 -27.209 -2.347 1.00 0.00 N ATOM 83 CA MET A 6 8.032 -26.543 -3.355 1.00 0.00 C ATOM 84 C MET A 6 6.579 -26.244 -2.865 1.00 0.00 C ATOM 85 O MET A 6 6.100 -25.138 -3.114 1.00 0.00 O ATOM 86 CB MET A 6 8.030 -27.373 -4.664 1.00 0.00 C ATOM 87 CG MET A 6 9.373 -27.440 -5.416 1.00 0.00 C ATOM 88 SD MET A 6 9.775 -25.826 -6.114 1.00 0.00 S ATOM 89 CE MET A 6 11.371 -26.197 -6.865 1.00 0.00 C ATOM 0 H MET A 6 9.168 -28.160 -2.604 1.00 0.00 H new ATOM 0 HA MET A 6 8.462 -25.558 -3.536 1.00 0.00 H new ATOM 0 HB2 MET A 6 7.716 -28.390 -4.427 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.279 -26.956 -5.335 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.164 -27.758 -4.736 1.00 0.00 H new ATOM 0 HG3 MET A 6 9.317 -28.184 -6.210 1.00 0.00 H new ATOM 0 HE1 MET A 6 11.765 -25.301 -7.345 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.066 -26.532 -6.095 1.00 0.00 H new ATOM 0 HE3 MET A 6 11.249 -26.983 -7.610 1.00 0.00 H new ATOM 99 N ASP A 7 5.916 -27.173 -2.139 1.00 0.00 N ATOM 100 CA ASP A 7 4.682 -26.890 -1.357 1.00 0.00 C ATOM 101 C ASP A 7 4.833 -25.801 -0.249 1.00 0.00 C ATOM 102 O ASP A 7 3.937 -24.967 -0.106 1.00 0.00 O ATOM 103 CB ASP A 7 4.120 -28.206 -0.740 1.00 0.00 C ATOM 104 CG ASP A 7 3.253 -29.042 -1.684 1.00 0.00 C ATOM 105 OD1 ASP A 7 3.676 -29.970 -2.369 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.952 -28.622 -1.684 1.00 0.00 O ATOM 0 H ASP A 7 6.220 -28.145 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 7 3.980 -26.471 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.956 -28.817 -0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.532 -27.954 0.142 1.00 0.00 H new ATOM 112 N LEU A 8 5.946 -25.793 0.510 1.00 0.00 N ATOM 113 CA LEU A 8 6.255 -24.718 1.493 1.00 0.00 C ATOM 114 C LEU A 8 6.444 -23.290 0.881 1.00 0.00 C ATOM 115 O LEU A 8 5.877 -22.330 1.414 1.00 0.00 O ATOM 116 CB LEU A 8 7.468 -25.124 2.381 1.00 0.00 C ATOM 117 CG LEU A 8 7.227 -26.256 3.421 1.00 0.00 C ATOM 118 CD1 LEU A 8 8.568 -26.802 3.948 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.356 -25.797 4.608 1.00 0.00 C ATOM 0 H LEU A 8 6.657 -26.523 0.465 1.00 0.00 H new ATOM 0 HA LEU A 8 5.363 -24.627 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.281 -25.433 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.809 -24.238 2.916 1.00 0.00 H new ATOM 0 HG LEU A 8 6.685 -27.045 2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.379 -27.593 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.149 -27.203 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.126 -25.997 4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.220 -26.627 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.847 -24.971 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.384 -25.469 4.240 1.00 0.00 H new ATOM 131 N LEU A 9 7.205 -23.151 -0.227 1.00 0.00 N ATOM 132 CA LEU A 9 7.414 -21.860 -0.933 1.00 0.00 C ATOM 133 C LEU A 9 6.108 -21.279 -1.564 1.00 0.00 C ATOM 134 O LEU A 9 5.703 -20.171 -1.212 1.00 0.00 O ATOM 135 CB LEU A 9 8.571 -22.047 -1.961 1.00 0.00 C ATOM 136 CG LEU A 9 9.290 -20.748 -2.418 1.00 0.00 C ATOM 137 CD1 LEU A 9 10.214 -20.169 -1.328 1.00 0.00 C ATOM 138 CD2 LEU A 9 10.103 -21.002 -3.701 1.00 0.00 C ATOM 0 H LEU A 9 7.695 -23.933 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 9 7.703 -21.099 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.313 -22.716 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.170 -22.547 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 9 8.510 -20.013 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.691 -19.262 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.626 -19.932 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.978 -20.903 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.599 -20.081 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.851 -21.772 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.435 -21.334 -4.496 1.00 0.00 H new ATOM 150 N TYR A 10 5.439 -22.063 -2.433 1.00 0.00 N ATOM 151 CA TYR A 10 4.001 -21.920 -2.800 1.00 0.00 C ATOM 152 C TYR A 10 3.023 -21.409 -1.701 1.00 0.00 C ATOM 153 O TYR A 10 2.407 -20.353 -1.876 1.00 0.00 O ATOM 154 CB TYR A 10 3.603 -23.336 -3.337 1.00 0.00 C ATOM 155 CG TYR A 10 2.105 -23.645 -3.531 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.409 -23.095 -4.605 1.00 0.00 C ATOM 157 CD2 TYR A 10 1.433 -24.483 -2.632 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.058 -23.388 -4.788 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.074 -24.732 -2.783 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.613 -24.182 -3.859 1.00 0.00 C ATOM 161 OH TYR A 10 -1.958 -24.407 -3.980 1.00 0.00 O ATOM 0 H TYR A 10 5.891 -22.839 -2.918 1.00 0.00 H new ATOM 0 HA TYR A 10 3.902 -21.116 -3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.100 -23.481 -4.296 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.011 -24.079 -2.652 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.917 -22.440 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.974 -24.939 -1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.468 -23.000 -5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.446 -25.351 -2.067 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.429 -23.550 -4.037 1.00 0.00 H new ATOM 171 N MET A 11 2.834 -22.199 -0.625 1.00 0.00 N ATOM 172 CA MET A 11 1.753 -21.969 0.350 1.00 0.00 C ATOM 173 C MET A 11 2.002 -20.695 1.208 1.00 0.00 C ATOM 174 O MET A 11 1.114 -19.845 1.274 1.00 0.00 O ATOM 175 CB MET A 11 1.515 -23.258 1.181 1.00 0.00 C ATOM 176 CG MET A 11 0.238 -23.239 2.039 1.00 0.00 C ATOM 177 SD MET A 11 0.077 -24.813 2.905 1.00 0.00 S ATOM 178 CE MET A 11 -1.443 -24.513 3.824 1.00 0.00 C ATOM 0 H MET A 11 3.420 -23.006 -0.410 1.00 0.00 H new ATOM 0 HA MET A 11 0.826 -21.759 -0.183 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.468 -24.109 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.373 -23.418 1.834 1.00 0.00 H new ATOM 0 HG2 MET A 11 0.280 -22.419 2.756 1.00 0.00 H new ATOM 0 HG3 MET A 11 -0.635 -23.067 1.409 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.689 -25.393 4.418 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.306 -23.657 4.485 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.255 -24.307 3.127 1.00 0.00 H new ATOM 188 N ALA A 12 3.218 -20.517 1.773 1.00 0.00 N ATOM 189 CA ALA A 12 3.690 -19.213 2.283 1.00 0.00 C ATOM 190 C ALA A 12 3.624 -17.991 1.315 1.00 0.00 C ATOM 191 O ALA A 12 3.317 -16.906 1.797 1.00 0.00 O ATOM 192 CB ALA A 12 5.113 -19.407 2.838 1.00 0.00 C ATOM 0 H ALA A 12 3.896 -21.271 1.887 1.00 0.00 H new ATOM 0 HA ALA A 12 2.974 -18.926 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.486 -18.458 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.092 -20.141 3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.769 -19.760 2.042 1.00 0.00 H new ATOM 198 N ALA A 13 3.851 -18.126 -0.010 1.00 0.00 N ATOM 199 CA ALA A 13 3.651 -17.031 -0.986 1.00 0.00 C ATOM 200 C ALA A 13 2.182 -16.558 -1.140 1.00 0.00 C ATOM 201 O ALA A 13 1.910 -15.406 -0.808 1.00 0.00 O ATOM 202 CB ALA A 13 4.289 -17.432 -2.329 1.00 0.00 C ATOM 0 H ALA A 13 4.177 -18.995 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 13 4.155 -16.150 -0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.146 -16.630 -3.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.355 -17.607 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.818 -18.343 -2.698 1.00 0.00 H new ATOM 208 N ALA A 14 1.228 -17.409 -1.564 1.00 0.00 N ATOM 209 CA ALA A 14 -0.221 -17.054 -1.531 1.00 0.00 C ATOM 210 C ALA A 14 -0.848 -16.721 -0.137 1.00 0.00 C ATOM 211 O ALA A 14 -1.696 -15.827 -0.079 1.00 0.00 O ATOM 212 CB ALA A 14 -1.020 -18.135 -2.278 1.00 0.00 C ATOM 0 H ALA A 14 1.422 -18.340 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.288 -16.091 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.080 -17.883 -2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.679 -18.190 -3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.868 -19.100 -1.794 1.00 0.00 H new ATOM 218 N VAL A 15 -0.421 -17.352 0.981 1.00 0.00 N ATOM 219 CA VAL A 15 -0.812 -16.917 2.357 1.00 0.00 C ATOM 220 C VAL A 15 -0.240 -15.507 2.750 1.00 0.00 C ATOM 221 O VAL A 15 -1.021 -14.639 3.152 1.00 0.00 O ATOM 222 CB VAL A 15 -0.589 -18.051 3.414 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.842 -17.637 4.885 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.449 -19.316 3.156 1.00 0.00 C ATOM 0 H VAL A 15 0.195 -18.165 0.965 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.889 -16.752 2.350 1.00 0.00 H new ATOM 0 HB VAL A 15 0.471 -18.268 3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.661 -18.490 5.539 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.169 -16.823 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.874 -17.306 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.243 -20.059 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.506 -19.049 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.204 -19.730 2.178 1.00 0.00 H new ATOM 234 N MET A 16 1.085 -15.268 2.631 1.00 0.00 N ATOM 235 CA MET A 16 1.704 -13.933 2.900 1.00 0.00 C ATOM 236 C MET A 16 1.232 -12.788 1.945 1.00 0.00 C ATOM 237 O MET A 16 0.921 -11.692 2.415 1.00 0.00 O ATOM 238 CB MET A 16 3.249 -14.121 2.904 1.00 0.00 C ATOM 239 CG MET A 16 4.080 -12.942 3.449 1.00 0.00 C ATOM 240 SD MET A 16 4.139 -11.594 2.248 1.00 0.00 S ATOM 241 CE MET A 16 5.085 -10.372 3.173 1.00 0.00 C ATOM 0 H MET A 16 1.757 -15.982 2.349 1.00 0.00 H new ATOM 0 HA MET A 16 1.361 -13.585 3.875 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.484 -15.007 3.494 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.572 -14.323 1.883 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.645 -12.585 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.092 -13.278 3.676 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.210 -9.474 2.567 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.554 -10.119 4.091 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.064 -10.782 3.421 1.00 0.00 H new ATOM 251 N MET A 17 1.185 -13.041 0.626 1.00 0.00 N ATOM 252 CA MET A 17 0.743 -12.048 -0.389 1.00 0.00 C ATOM 253 C MET A 17 -0.804 -11.924 -0.629 1.00 0.00 C ATOM 254 O MET A 17 -1.231 -10.949 -1.254 1.00 0.00 O ATOM 255 CB MET A 17 1.445 -12.396 -1.719 1.00 0.00 C ATOM 256 CG MET A 17 2.993 -12.433 -1.749 1.00 0.00 C ATOM 257 SD MET A 17 3.715 -10.938 -1.051 1.00 0.00 S ATOM 258 CE MET A 17 5.463 -11.303 -1.287 1.00 0.00 C ATOM 0 H MET A 17 1.452 -13.940 0.225 1.00 0.00 H new ATOM 0 HA MET A 17 1.022 -11.072 0.009 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.084 -13.373 -2.039 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.116 -11.674 -2.466 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.346 -13.301 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.333 -12.554 -2.777 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.063 -10.500 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.709 -12.243 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 17 5.676 -11.388 -2.353 1.00 0.00 H new ATOM 268 N GLY A 18 -1.644 -12.857 -0.136 1.00 0.00 N ATOM 269 CA GLY A 18 -3.112 -12.644 -0.025 1.00 0.00 C ATOM 270 C GLY A 18 -3.573 -11.661 1.078 1.00 0.00 C ATOM 271 O GLY A 18 -4.502 -10.888 0.843 1.00 0.00 O ATOM 0 H GLY A 18 -1.334 -13.771 0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.480 -12.281 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.587 -13.609 0.154 1.00 0.00 H new ATOM 275 N LEU A 19 -2.910 -11.671 2.250 1.00 0.00 N ATOM 276 CA LEU A 19 -3.061 -10.645 3.323 1.00 0.00 C ATOM 277 C LEU A 19 -3.184 -9.132 2.879 1.00 0.00 C ATOM 278 O LEU A 19 -4.217 -8.562 3.238 1.00 0.00 O ATOM 279 CB LEU A 19 -1.943 -10.943 4.365 1.00 0.00 C ATOM 280 CG LEU A 19 -1.958 -10.128 5.686 1.00 0.00 C ATOM 281 CD1 LEU A 19 -3.210 -10.395 6.544 1.00 0.00 C ATOM 282 CD2 LEU A 19 -0.691 -10.425 6.509 1.00 0.00 C ATOM 0 H LEU A 19 -2.240 -12.402 2.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.052 -10.749 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.996 -12.001 4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.980 -10.781 3.881 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.982 -9.076 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.162 -9.796 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.102 -10.126 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.252 -11.452 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.714 -9.847 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.652 -11.488 6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.191 -10.150 5.931 1.00 0.00 H new ATOM 294 N PRO A 20 -2.283 -8.457 2.094 1.00 0.00 N ATOM 295 CA PRO A 20 -2.534 -7.108 1.499 1.00 0.00 C ATOM 296 C PRO A 20 -3.812 -6.855 0.640 1.00 0.00 C ATOM 297 O PRO A 20 -4.252 -5.705 0.595 1.00 0.00 O ATOM 298 CB PRO A 20 -1.235 -6.844 0.719 1.00 0.00 C ATOM 299 CG PRO A 20 -0.533 -8.175 0.540 1.00 0.00 C ATOM 300 CD PRO A 20 -0.937 -8.951 1.775 1.00 0.00 C ATOM 0 HA PRO A 20 -2.770 -6.414 2.305 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.454 -6.393 -0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.598 -6.144 1.260 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.851 -8.678 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.548 -8.054 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.942 -10.024 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.244 -8.776 2.598 1.00 0.00 H new ATOM 308 N ALA A 21 -4.436 -7.868 0.003 1.00 0.00 N ATOM 309 CA ALA A 21 -5.813 -7.723 -0.554 1.00 0.00 C ATOM 310 C ALA A 21 -6.921 -7.333 0.483 1.00 0.00 C ATOM 311 O ALA A 21 -7.718 -6.439 0.200 1.00 0.00 O ATOM 312 CB ALA A 21 -6.173 -8.999 -1.337 1.00 0.00 C ATOM 0 H ALA A 21 -4.021 -8.788 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.790 -6.863 -1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.178 -8.902 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.461 -9.140 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.136 -9.859 -0.668 1.00 0.00 H new ATOM 318 N ILE A 22 -6.932 -7.943 1.687 1.00 0.00 N ATOM 319 CA ILE A 22 -7.717 -7.455 2.863 1.00 0.00 C ATOM 320 C ILE A 22 -7.059 -6.184 3.525 1.00 0.00 C ATOM 321 O ILE A 22 -7.750 -5.180 3.717 1.00 0.00 O ATOM 322 CB ILE A 22 -7.987 -8.609 3.905 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.453 -9.979 3.310 1.00 0.00 C ATOM 324 CG2 ILE A 22 -9.025 -8.167 4.969 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.315 -10.975 3.024 1.00 0.00 C ATOM 0 H ILE A 22 -6.399 -8.790 1.881 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.691 -7.137 2.492 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.004 -8.783 4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.156 -10.441 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.995 -9.792 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.192 -8.981 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.649 -7.295 5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.964 -7.914 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.731 -11.895 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.622 -10.539 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.785 -11.198 3.950 1.00 0.00 H new ATOM 337 N GLY A 23 -5.756 -6.237 3.878 1.00 0.00 N ATOM 338 CA GLY A 23 -5.019 -5.143 4.568 1.00 0.00 C ATOM 339 C GLY A 23 -5.043 -3.733 3.947 1.00 0.00 C ATOM 340 O GLY A 23 -5.501 -2.791 4.594 1.00 0.00 O ATOM 0 H GLY A 23 -5.173 -7.052 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.414 -5.065 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.976 -5.449 4.654 1.00 0.00 H new ATOM 344 N ALA A 24 -4.566 -3.594 2.702 1.00 0.00 N ATOM 345 CA ALA A 24 -4.701 -2.337 1.924 1.00 0.00 C ATOM 346 C ALA A 24 -6.091 -1.966 1.319 1.00 0.00 C ATOM 347 O ALA A 24 -6.280 -0.807 0.952 1.00 0.00 O ATOM 348 CB ALA A 24 -3.619 -2.352 0.845 1.00 0.00 C ATOM 0 H ALA A 24 -4.079 -4.338 2.202 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.583 -1.540 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.686 -1.441 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.637 -2.407 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.761 -3.218 0.199 1.00 0.00 H new ATOM 354 N ALA A 25 -7.062 -2.889 1.269 1.00 0.00 N ATOM 355 CA ALA A 25 -8.511 -2.533 1.113 1.00 0.00 C ATOM 356 C ALA A 25 -9.154 -1.805 2.344 1.00 0.00 C ATOM 357 O ALA A 25 -9.772 -0.744 2.185 1.00 0.00 O ATOM 358 CB ALA A 25 -9.306 -3.784 0.706 1.00 0.00 C ATOM 0 H ALA A 25 -6.887 -3.892 1.333 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.560 -1.787 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.359 -3.525 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.923 -4.167 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.201 -4.548 1.476 1.00 0.00 H new ATOM 364 N ILE A 26 -8.919 -2.312 3.576 1.00 0.00 N ATOM 365 CA ILE A 26 -9.012 -1.503 4.841 1.00 0.00 C ATOM 366 C ILE A 26 -8.145 -0.181 4.795 1.00 0.00 C ATOM 367 O ILE A 26 -8.611 0.859 5.270 1.00 0.00 O ATOM 368 CB ILE A 26 -8.710 -2.421 6.089 1.00 0.00 C ATOM 369 CG1 ILE A 26 -9.674 -3.644 6.223 1.00 0.00 C ATOM 370 CG2 ILE A 26 -8.711 -1.649 7.439 1.00 0.00 C ATOM 371 CD1 ILE A 26 -9.180 -4.781 7.135 1.00 0.00 C ATOM 0 H ILE A 26 -8.660 -3.286 3.735 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.035 -1.141 4.942 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.704 -2.789 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.633 -3.289 6.601 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.855 -4.052 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.497 -2.341 8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.948 -0.871 7.414 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.689 -1.194 7.597 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.923 -5.578 7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.239 -5.173 6.750 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.028 -4.398 8.144 1.00 0.00 H new ATOM 383 N GLY A 27 -6.941 -0.212 4.181 1.00 0.00 N ATOM 384 CA GLY A 27 -6.194 1.002 3.766 1.00 0.00 C ATOM 385 C GLY A 27 -6.945 2.047 2.907 1.00 0.00 C ATOM 386 O GLY A 27 -6.952 3.212 3.296 1.00 0.00 O ATOM 0 H GLY A 27 -6.457 -1.081 3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.838 1.501 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.313 0.681 3.210 1.00 0.00 H new ATOM 390 N ILE A 28 -7.633 1.664 1.808 1.00 0.00 N ATOM 391 CA ILE A 28 -8.595 2.563 1.080 1.00 0.00 C ATOM 392 C ILE A 28 -9.618 3.246 2.065 1.00 0.00 C ATOM 393 O ILE A 28 -9.576 4.472 2.216 1.00 0.00 O ATOM 394 CB ILE A 28 -9.327 1.856 -0.129 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.389 1.122 -1.129 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.218 2.851 -0.929 1.00 0.00 C ATOM 397 CD1 ILE A 28 -9.080 0.121 -2.075 1.00 0.00 C ATOM 0 H ILE A 28 -7.548 0.736 1.394 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.986 3.351 0.637 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.939 1.095 0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.874 1.869 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.626 0.590 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.703 2.325 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.977 3.271 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.599 3.654 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.336 -0.334 -2.729 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.570 -0.655 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.823 0.643 -2.678 1.00 0.00 H new ATOM 409 N GLY A 29 -10.477 2.453 2.746 1.00 0.00 N ATOM 410 CA GLY A 29 -11.547 2.987 3.635 1.00 0.00 C ATOM 411 C GLY A 29 -11.157 3.895 4.828 1.00 0.00 C ATOM 412 O GLY A 29 -11.731 4.974 4.981 1.00 0.00 O ATOM 0 H GLY A 29 -10.453 1.434 2.699 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.243 3.547 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.095 2.135 4.037 1.00 0.00 H new ATOM 416 N ILE A 30 -10.214 3.452 5.673 1.00 0.00 N ATOM 417 CA ILE A 30 -9.760 4.217 6.880 1.00 0.00 C ATOM 418 C ILE A 30 -8.724 5.330 6.510 1.00 0.00 C ATOM 419 O ILE A 30 -8.885 6.453 6.995 1.00 0.00 O ATOM 420 CB ILE A 30 -9.319 3.214 8.017 1.00 0.00 C ATOM 421 CG1 ILE A 30 -10.491 2.453 8.720 1.00 0.00 C ATOM 422 CG2 ILE A 30 -8.495 3.874 9.158 1.00 0.00 C ATOM 423 CD1 ILE A 30 -11.316 1.473 7.868 1.00 0.00 C ATOM 0 H ILE A 30 -9.736 2.559 5.554 1.00 0.00 H new ATOM 0 HA ILE A 30 -10.592 4.783 7.299 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.708 2.512 7.449 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.075 1.899 9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.173 3.195 9.134 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.231 3.120 9.899 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.586 4.311 8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.090 4.655 9.632 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.092 1.019 8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.778 2.011 7.040 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.663 0.694 7.475 1.00 0.00 H new ATOM 435 N LEU A 31 -7.693 5.065 5.680 1.00 0.00 N ATOM 436 CA LEU A 31 -6.761 6.127 5.192 1.00 0.00 C ATOM 437 C LEU A 31 -7.477 7.149 4.254 1.00 0.00 C ATOM 438 O LEU A 31 -7.416 8.339 4.550 1.00 0.00 O ATOM 439 CB LEU A 31 -5.438 5.566 4.588 1.00 0.00 C ATOM 440 CG LEU A 31 -4.671 4.506 5.438 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.703 3.675 4.581 1.00 0.00 C ATOM 442 CD2 LEU A 31 -3.940 5.141 6.637 1.00 0.00 C ATOM 0 H LEU A 31 -7.478 4.131 5.330 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.449 6.682 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.668 5.123 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.766 6.404 4.404 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.425 3.828 5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.190 2.949 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.262 3.151 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.970 4.335 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.421 4.365 7.199 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.217 5.873 6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.664 5.635 7.285 1.00 0.00 H new ATOM 454 N GLY A 32 -8.231 6.734 3.213 1.00 0.00 N ATOM 455 CA GLY A 32 -9.155 7.653 2.482 1.00 0.00 C ATOM 456 C GLY A 32 -10.245 8.424 3.276 1.00 0.00 C ATOM 457 O GLY A 32 -10.459 9.605 2.995 1.00 0.00 O ATOM 0 H GLY A 32 -8.225 5.779 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.542 8.392 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.661 7.067 1.715 1.00 0.00 H new ATOM 461 N GLY A 33 -10.893 7.797 4.274 1.00 0.00 N ATOM 462 CA GLY A 33 -11.746 8.510 5.267 1.00 0.00 C ATOM 463 C GLY A 33 -11.051 9.607 6.117 1.00 0.00 C ATOM 464 O GLY A 33 -11.489 10.760 6.099 1.00 0.00 O ATOM 0 H GLY A 33 -10.847 6.789 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.579 8.968 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.170 7.770 5.946 1.00 0.00 H new ATOM 468 N LYS A 34 -9.944 9.257 6.800 1.00 0.00 N ATOM 469 CA LYS A 34 -8.975 10.243 7.377 1.00 0.00 C ATOM 470 C LYS A 34 -8.486 11.395 6.419 1.00 0.00 C ATOM 471 O LYS A 34 -8.499 12.565 6.811 1.00 0.00 O ATOM 472 CB LYS A 34 -7.812 9.382 7.950 1.00 0.00 C ATOM 473 CG LYS A 34 -6.703 10.143 8.706 1.00 0.00 C ATOM 474 CD LYS A 34 -5.533 9.226 9.116 1.00 0.00 C ATOM 475 CE LYS A 34 -4.359 10.010 9.725 1.00 0.00 C ATOM 476 NZ LYS A 34 -3.246 9.104 10.064 1.00 0.00 N ATOM 0 H LYS A 34 -9.685 8.286 6.974 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.479 10.832 8.143 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.237 8.639 8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.352 8.838 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.326 10.949 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.127 10.606 9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.888 8.490 9.837 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.184 8.675 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.016 10.767 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.692 10.536 10.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.464 9.653 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.571 8.397 10.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.917 8.621 9.204 1.00 0.00 H new ATOM 489 N PHE A 35 -8.081 11.065 5.177 1.00 0.00 N ATOM 490 CA PHE A 35 -7.738 12.030 4.101 1.00 0.00 C ATOM 491 C PHE A 35 -8.865 13.049 3.757 1.00 0.00 C ATOM 492 O PHE A 35 -8.602 14.251 3.730 1.00 0.00 O ATOM 493 CB PHE A 35 -7.190 11.195 2.889 1.00 0.00 C ATOM 494 CG PHE A 35 -7.330 11.756 1.459 1.00 0.00 C ATOM 495 CD1 PHE A 35 -6.362 12.624 0.959 1.00 0.00 C ATOM 496 CD2 PHE A 35 -8.432 11.427 0.658 1.00 0.00 C ATOM 497 CE1 PHE A 35 -6.492 13.173 -0.314 1.00 0.00 C ATOM 498 CE2 PHE A 35 -8.561 11.971 -0.618 1.00 0.00 C ATOM 499 CZ PHE A 35 -7.591 12.844 -1.103 1.00 0.00 C ATOM 0 H PHE A 35 -7.979 10.094 4.881 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.958 12.709 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -6.130 11.016 3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.685 10.224 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.503 12.873 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.185 10.749 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.741 13.853 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.413 11.716 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.691 13.266 -2.092 1.00 0.00 H new ATOM 509 N LEU A 36 -10.089 12.575 3.491 1.00 0.00 N ATOM 510 CA LEU A 36 -11.245 13.443 3.169 1.00 0.00 C ATOM 511 C LEU A 36 -11.786 14.336 4.335 1.00 0.00 C ATOM 512 O LEU A 36 -12.188 15.472 4.078 1.00 0.00 O ATOM 513 CB LEU A 36 -12.313 12.550 2.480 1.00 0.00 C ATOM 514 CG LEU A 36 -13.136 13.273 1.384 1.00 0.00 C ATOM 515 CD1 LEU A 36 -12.288 13.443 0.106 1.00 0.00 C ATOM 516 CD2 LEU A 36 -14.433 12.513 1.061 1.00 0.00 C ATOM 0 H LEU A 36 -10.313 11.580 3.491 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.911 14.223 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.817 11.687 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.996 12.169 3.239 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.410 14.256 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.877 13.952 -0.657 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.401 14.034 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.986 12.463 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.985 13.048 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.189 11.512 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.045 12.440 1.960 1.00 0.00 H new ATOM 528 N GLU A 37 -11.703 13.892 5.608 1.00 0.00 N ATOM 529 CA GLU A 37 -11.683 14.781 6.794 1.00 0.00 C ATOM 530 C GLU A 37 -10.599 15.918 6.786 1.00 0.00 C ATOM 531 O GLU A 37 -10.931 17.068 7.090 1.00 0.00 O ATOM 532 CB GLU A 37 -11.548 13.821 8.014 1.00 0.00 C ATOM 533 CG GLU A 37 -12.267 14.272 9.291 1.00 0.00 C ATOM 534 CD GLU A 37 -11.644 15.455 10.036 1.00 0.00 C ATOM 535 OE1 GLU A 37 -12.135 16.581 10.059 1.00 0.00 O ATOM 536 OE2 GLU A 37 -10.483 15.115 10.673 1.00 0.00 O ATOM 0 H GLU A 37 -11.648 12.901 5.845 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.599 15.371 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.932 12.842 7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.489 13.695 8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.293 14.532 9.032 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.316 13.424 9.974 1.00 0.00 H new ATOM 544 N GLY A 38 -9.341 15.618 6.389 1.00 0.00 N ATOM 545 CA GLY A 38 -8.330 16.660 6.057 1.00 0.00 C ATOM 546 C GLY A 38 -8.669 17.632 4.897 1.00 0.00 C ATOM 547 O GLY A 38 -8.482 18.837 5.062 1.00 0.00 O ATOM 0 H GLY A 38 -8.997 14.663 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.150 17.253 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.394 16.157 5.814 1.00 0.00 H new ATOM 551 N ALA A 39 -9.185 17.126 3.759 1.00 0.00 N ATOM 552 CA ALA A 39 -9.678 17.965 2.632 1.00 0.00 C ATOM 553 C ALA A 39 -10.885 18.906 2.932 1.00 0.00 C ATOM 554 O ALA A 39 -10.915 20.025 2.413 1.00 0.00 O ATOM 555 CB ALA A 39 -9.996 17.032 1.448 1.00 0.00 C ATOM 0 H ALA A 39 -9.275 16.124 3.589 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.874 18.666 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.360 17.622 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.093 16.498 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.761 16.314 1.745 1.00 0.00 H new ATOM 561 N ALA A 40 -11.843 18.482 3.784 1.00 0.00 N ATOM 562 CA ALA A 40 -12.883 19.380 4.357 1.00 0.00 C ATOM 563 C ALA A 40 -12.360 20.622 5.155 1.00 0.00 C ATOM 564 O ALA A 40 -12.890 21.721 4.971 1.00 0.00 O ATOM 565 CB ALA A 40 -13.820 18.500 5.209 1.00 0.00 C ATOM 0 H ALA A 40 -11.922 17.514 4.096 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.406 19.849 3.523 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.601 19.120 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.276 17.737 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.247 18.020 6.002 1.00 0.00 H new ATOM 571 N ARG A 41 -11.309 20.466 5.985 1.00 0.00 N ATOM 572 CA ARG A 41 -10.556 21.600 6.580 1.00 0.00 C ATOM 573 C ARG A 41 -9.695 22.400 5.544 1.00 0.00 C ATOM 574 O ARG A 41 -9.960 23.582 5.314 1.00 0.00 O ATOM 575 CB ARG A 41 -9.774 20.975 7.769 1.00 0.00 C ATOM 576 CG ARG A 41 -8.916 21.948 8.601 1.00 0.00 C ATOM 577 CD ARG A 41 -8.178 21.200 9.722 1.00 0.00 C ATOM 578 NE ARG A 41 -7.231 22.087 10.445 1.00 0.00 N ATOM 579 CZ ARG A 41 -7.527 22.838 11.516 1.00 0.00 C ATOM 580 NH1 ARG A 41 -8.722 22.897 12.074 1.00 0.00 N ATOM 581 NH2 ARG A 41 -6.567 23.557 12.038 1.00 0.00 N ATOM 0 H ARG A 41 -10.954 19.551 6.265 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.215 22.391 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.490 20.493 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.124 20.192 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.195 22.448 7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.550 22.723 9.031 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.903 20.792 10.426 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.634 20.355 9.299 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.273 22.129 10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.492 22.348 11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.876 23.491 12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.633 23.533 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.753 24.141 12.853 1.00 0.00 H new ATOM 594 N GLN A 42 -8.658 21.769 4.967 1.00 0.00 N ATOM 595 CA GLN A 42 -7.684 22.419 4.054 1.00 0.00 C ATOM 596 C GLN A 42 -7.260 21.361 2.977 1.00 0.00 C ATOM 597 O GLN A 42 -6.555 20.410 3.340 1.00 0.00 O ATOM 598 CB GLN A 42 -6.435 22.918 4.834 1.00 0.00 C ATOM 599 CG GLN A 42 -6.626 24.213 5.659 1.00 0.00 C ATOM 600 CD GLN A 42 -5.393 24.592 6.491 1.00 0.00 C ATOM 601 OE1 GLN A 42 -4.404 25.108 5.976 1.00 0.00 O ATOM 602 NE2 GLN A 42 -5.407 24.351 7.788 1.00 0.00 N ATOM 0 H GLN A 42 -8.464 20.779 5.120 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.143 23.288 3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.111 22.125 5.508 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.626 23.080 4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.866 25.034 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.480 24.089 6.325 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.227 23.923 8.218 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.598 24.593 8.360 1.00 0.00 H new ATOM 611 N PRO A 43 -7.596 21.478 1.656 1.00 0.00 N ATOM 612 CA PRO A 43 -7.124 20.513 0.617 1.00 0.00 C ATOM 613 C PRO A 43 -5.627 20.541 0.162 1.00 0.00 C ATOM 614 O PRO A 43 -5.242 19.724 -0.679 1.00 0.00 O ATOM 615 CB PRO A 43 -8.125 20.778 -0.521 1.00 0.00 C ATOM 616 CG PRO A 43 -8.537 22.243 -0.375 1.00 0.00 C ATOM 617 CD PRO A 43 -8.543 22.483 1.135 1.00 0.00 C ATOM 0 HA PRO A 43 -7.112 19.501 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.670 20.594 -1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.989 20.118 -0.444 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.835 22.906 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.519 22.426 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.225 23.496 1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.539 22.350 1.557 1.00 0.00 H new ATOM 625 N ASP A 44 -4.779 21.399 0.755 1.00 0.00 N ATOM 626 CA ASP A 44 -3.305 21.194 0.773 1.00 0.00 C ATOM 627 C ASP A 44 -2.746 21.386 2.225 1.00 0.00 C ATOM 628 O ASP A 44 -1.935 22.281 2.485 1.00 0.00 O ATOM 629 CB ASP A 44 -2.669 22.098 -0.320 1.00 0.00 C ATOM 630 CG ASP A 44 -1.225 21.735 -0.677 1.00 0.00 C ATOM 631 OD1 ASP A 44 -0.240 22.304 -0.214 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.159 20.707 -1.577 1.00 0.00 O ATOM 0 H ASP A 44 -5.083 22.247 1.233 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.032 20.170 0.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.279 22.041 -1.222 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.698 23.133 0.020 1.00 0.00 H new ATOM 638 N LEU A 45 -3.150 20.504 3.163 1.00 0.00 N ATOM 639 CA LEU A 45 -2.520 20.394 4.514 1.00 0.00 C ATOM 640 C LEU A 45 -1.268 19.444 4.491 1.00 0.00 C ATOM 641 O LEU A 45 -1.098 18.610 3.593 1.00 0.00 O ATOM 642 CB LEU A 45 -3.578 19.944 5.581 1.00 0.00 C ATOM 643 CG LEU A 45 -3.873 20.956 6.724 1.00 0.00 C ATOM 644 CD1 LEU A 45 -5.090 20.492 7.550 1.00 0.00 C ATOM 645 CD2 LEU A 45 -2.702 21.236 7.683 1.00 0.00 C ATOM 0 H LEU A 45 -3.917 19.848 3.016 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.158 21.381 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.514 19.727 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.237 19.011 6.029 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.070 21.895 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.284 21.210 8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.964 20.423 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.883 19.515 7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.016 21.954 8.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.398 20.308 8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.862 21.645 7.122 1.00 0.00 H new ATOM 657 N ILE A 46 -0.422 19.519 5.538 1.00 0.00 N ATOM 658 CA ILE A 46 0.690 18.541 5.776 1.00 0.00 C ATOM 659 C ILE A 46 0.105 17.109 6.118 1.00 0.00 C ATOM 660 O ILE A 46 0.378 16.211 5.317 1.00 0.00 O ATOM 661 CB ILE A 46 1.792 19.096 6.760 1.00 0.00 C ATOM 662 CG1 ILE A 46 2.525 20.392 6.284 1.00 0.00 C ATOM 663 CG2 ILE A 46 2.891 18.037 7.051 1.00 0.00 C ATOM 664 CD1 ILE A 46 1.763 21.717 6.459 1.00 0.00 C ATOM 0 H ILE A 46 -0.479 20.251 6.246 1.00 0.00 H new ATOM 0 HA ILE A 46 1.250 18.405 4.851 1.00 0.00 H new ATOM 0 HB ILE A 46 1.216 19.342 7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.469 20.468 6.824 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.770 20.277 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.631 18.458 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.437 17.157 7.507 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.378 17.752 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.376 22.540 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.832 21.678 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.541 21.872 7.515 1.00 0.00 H new ATOM 676 N PRO A 47 -0.726 16.833 7.176 1.00 0.00 N ATOM 677 CA PRO A 47 -1.523 15.572 7.288 1.00 0.00 C ATOM 678 C PRO A 47 -2.448 15.138 6.096 1.00 0.00 C ATOM 679 O PRO A 47 -2.710 13.940 5.951 1.00 0.00 O ATOM 680 CB PRO A 47 -2.297 15.769 8.608 1.00 0.00 C ATOM 681 CG PRO A 47 -2.299 17.276 8.867 1.00 0.00 C ATOM 682 CD PRO A 47 -0.957 17.745 8.309 1.00 0.00 C ATOM 0 HA PRO A 47 -0.840 14.723 7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -3.314 15.385 8.527 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.818 15.232 9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.134 17.767 8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.390 17.499 9.930 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.997 18.786 7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.164 17.672 9.053 1.00 0.00 H new ATOM 690 N LEU A 48 -2.900 16.072 5.234 1.00 0.00 N ATOM 691 CA LEU A 48 -3.574 15.746 3.944 1.00 0.00 C ATOM 692 C LEU A 48 -2.643 15.059 2.899 1.00 0.00 C ATOM 693 O LEU A 48 -2.968 13.959 2.445 1.00 0.00 O ATOM 694 CB LEU A 48 -4.269 17.048 3.435 1.00 0.00 C ATOM 695 CG LEU A 48 -5.162 17.039 2.164 1.00 0.00 C ATOM 696 CD1 LEU A 48 -4.390 16.958 0.834 1.00 0.00 C ATOM 697 CD2 LEU A 48 -6.236 15.951 2.227 1.00 0.00 C ATOM 0 H LEU A 48 -2.812 17.074 5.405 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.331 14.979 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.884 17.421 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.483 17.784 3.266 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.645 18.016 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.096 16.957 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.726 17.818 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.801 16.041 0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.837 15.980 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.760 14.974 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.877 16.122 3.092 1.00 0.00 H new ATOM 709 N LEU A 49 -1.501 15.673 2.534 1.00 0.00 N ATOM 710 CA LEU A 49 -0.465 15.030 1.666 1.00 0.00 C ATOM 711 C LEU A 49 0.266 13.789 2.272 1.00 0.00 C ATOM 712 O LEU A 49 0.647 12.896 1.510 1.00 0.00 O ATOM 713 CB LEU A 49 0.564 16.109 1.213 1.00 0.00 C ATOM 714 CG LEU A 49 0.034 17.332 0.408 1.00 0.00 C ATOM 715 CD1 LEU A 49 1.151 18.378 0.233 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.544 16.943 -0.967 1.00 0.00 C ATOM 0 H LEU A 49 -1.261 16.621 2.824 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.012 14.619 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.065 16.487 2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.322 15.614 0.607 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.785 17.757 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.768 19.228 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.490 18.716 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.987 17.931 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.897 17.838 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.231 16.464 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.376 16.252 -0.830 1.00 0.00 H new ATOM 728 N ARG A 50 0.390 13.684 3.611 1.00 0.00 N ATOM 729 CA ARG A 50 0.669 12.392 4.302 1.00 0.00 C ATOM 730 C ARG A 50 -0.372 11.277 4.014 1.00 0.00 C ATOM 731 O ARG A 50 0.018 10.170 3.648 1.00 0.00 O ATOM 732 CB ARG A 50 0.728 12.603 5.839 1.00 0.00 C ATOM 733 CG ARG A 50 1.978 13.335 6.392 1.00 0.00 C ATOM 734 CD ARG A 50 3.229 12.456 6.640 1.00 0.00 C ATOM 735 NE ARG A 50 3.821 11.820 5.431 1.00 0.00 N ATOM 736 CZ ARG A 50 4.589 12.435 4.521 1.00 0.00 C ATOM 737 NH1 ARG A 50 4.935 13.707 4.581 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.016 11.728 3.507 1.00 0.00 N ATOM 0 H ARG A 50 0.302 14.478 4.245 1.00 0.00 H new ATOM 0 HA ARG A 50 1.627 12.060 3.903 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.156 13.164 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.665 11.627 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.248 14.127 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.706 13.817 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.993 13.070 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.964 11.671 7.348 1.00 0.00 H new ATOM 0 HE ARG A 50 3.625 10.830 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.614 14.287 5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.523 14.110 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.762 10.743 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.603 12.161 2.794 1.00 0.00 H new ATOM 751 N THR A 51 -1.674 11.560 4.200 1.00 0.00 N ATOM 752 CA THR A 51 -2.742 10.544 4.052 1.00 0.00 C ATOM 753 C THR A 51 -3.093 10.194 2.565 1.00 0.00 C ATOM 754 O THR A 51 -3.341 9.022 2.286 1.00 0.00 O ATOM 755 CB THR A 51 -3.946 10.876 4.979 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.539 11.344 6.266 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.789 9.628 5.260 1.00 0.00 C ATOM 0 H THR A 51 -2.017 12.486 4.454 1.00 0.00 H new ATOM 0 HA THR A 51 -2.351 9.591 4.408 1.00 0.00 H new ATOM 0 HB THR A 51 -4.504 11.644 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.370 12.308 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.623 9.891 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.173 9.229 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.172 8.874 5.749 1.00 0.00 H new ATOM 765 N GLN A 52 -3.021 11.134 1.597 1.00 0.00 N ATOM 766 CA GLN A 52 -2.883 10.836 0.148 1.00 0.00 C ATOM 767 C GLN A 52 -1.717 9.863 -0.241 1.00 0.00 C ATOM 768 O GLN A 52 -1.949 8.828 -0.880 1.00 0.00 O ATOM 769 CB GLN A 52 -2.809 12.221 -0.562 1.00 0.00 C ATOM 770 CG GLN A 52 -3.301 12.249 -2.019 1.00 0.00 C ATOM 771 CD GLN A 52 -2.351 11.642 -3.062 1.00 0.00 C ATOM 772 OE1 GLN A 52 -1.261 12.150 -3.311 1.00 0.00 O ATOM 773 NE2 GLN A 52 -2.730 10.553 -3.700 1.00 0.00 N ATOM 0 H GLN A 52 -3.057 12.133 1.799 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.744 10.258 -0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.396 12.936 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.775 12.566 -0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.252 11.719 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.498 13.285 -2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.635 10.130 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.118 10.133 -4.400 1.00 0.00 H new ATOM 782 N PHE A 53 -0.490 10.176 0.222 1.00 0.00 N ATOM 783 CA PHE A 53 0.661 9.221 0.231 1.00 0.00 C ATOM 784 C PHE A 53 0.378 7.816 0.876 1.00 0.00 C ATOM 785 O PHE A 53 0.742 6.798 0.282 1.00 0.00 O ATOM 786 CB PHE A 53 1.884 9.981 0.829 1.00 0.00 C ATOM 787 CG PHE A 53 3.189 9.186 0.993 1.00 0.00 C ATOM 788 CD1 PHE A 53 4.043 8.980 -0.094 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.528 8.655 2.243 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.221 8.255 0.067 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.705 7.928 2.402 1.00 0.00 C ATOM 792 CZ PHE A 53 5.551 7.730 1.315 1.00 0.00 C ATOM 0 H PHE A 53 -0.259 11.094 0.602 1.00 0.00 H new ATOM 0 HA PHE A 53 0.876 8.919 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.090 10.843 0.194 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.597 10.367 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.788 9.385 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.874 8.810 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.879 8.100 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.961 7.518 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.465 7.168 1.439 1.00 0.00 H new ATOM 802 N PHE A 54 -0.296 7.754 2.040 1.00 0.00 N ATOM 803 CA PHE A 54 -0.751 6.496 2.670 1.00 0.00 C ATOM 804 C PHE A 54 -1.792 5.661 1.851 1.00 0.00 C ATOM 805 O PHE A 54 -1.692 4.432 1.851 1.00 0.00 O ATOM 806 CB PHE A 54 -1.270 6.818 4.102 1.00 0.00 C ATOM 807 CG PHE A 54 -0.342 7.456 5.173 1.00 0.00 C ATOM 808 CD1 PHE A 54 1.059 7.436 5.085 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.940 8.096 6.266 1.00 0.00 C ATOM 810 CE1 PHE A 54 1.836 8.089 6.038 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.162 8.745 7.220 1.00 0.00 C ATOM 812 CZ PHE A 54 1.225 8.744 7.103 1.00 0.00 C ATOM 0 H PHE A 54 -0.544 8.585 2.577 1.00 0.00 H new ATOM 0 HA PHE A 54 0.117 5.837 2.707 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.127 7.482 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.644 5.884 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.538 6.910 4.272 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.015 8.086 6.369 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.912 8.087 5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.634 9.249 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.828 9.253 7.840 1.00 0.00 H new ATOM 822 N ILE A 55 -2.748 6.293 1.129 1.00 0.00 N ATOM 823 CA ILE A 55 -3.636 5.601 0.139 1.00 0.00 C ATOM 824 C ILE A 55 -2.814 4.911 -0.998 1.00 0.00 C ATOM 825 O ILE A 55 -3.012 3.711 -1.194 1.00 0.00 O ATOM 826 CB ILE A 55 -4.764 6.531 -0.446 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.657 7.212 0.630 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.705 5.797 -1.444 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.364 8.481 0.130 1.00 0.00 C ATOM 0 H ILE A 55 -2.932 7.293 1.209 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.150 4.820 0.699 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.194 7.301 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.407 6.499 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.042 7.465 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.460 6.492 -1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.121 5.419 -2.283 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.194 4.965 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.969 8.901 0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.619 9.212 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.006 8.231 -0.714 1.00 0.00 H new ATOM 841 N VAL A 56 -1.918 5.618 -1.731 1.00 0.00 N ATOM 842 CA VAL A 56 -1.082 4.973 -2.795 1.00 0.00 C ATOM 843 C VAL A 56 -0.133 3.836 -2.273 1.00 0.00 C ATOM 844 O VAL A 56 -0.176 2.732 -2.819 1.00 0.00 O ATOM 845 CB VAL A 56 -0.434 6.034 -3.750 1.00 0.00 C ATOM 846 CG1 VAL A 56 0.640 6.936 -3.106 1.00 0.00 C ATOM 847 CG2 VAL A 56 0.134 5.406 -5.042 1.00 0.00 C ATOM 0 H VAL A 56 -1.751 6.618 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.761 4.408 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.276 6.680 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.024 7.633 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.199 7.494 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.457 6.319 -2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.570 6.187 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.902 4.676 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.668 4.911 -5.589 1.00 0.00 H new ATOM 857 N MET A 57 0.649 4.058 -1.198 1.00 0.00 N ATOM 858 CA MET A 57 1.463 3.002 -0.536 1.00 0.00 C ATOM 859 C MET A 57 0.677 1.760 0.000 1.00 0.00 C ATOM 860 O MET A 57 1.109 0.632 -0.251 1.00 0.00 O ATOM 861 CB MET A 57 2.366 3.632 0.559 1.00 0.00 C ATOM 862 CG MET A 57 3.489 4.551 0.040 1.00 0.00 C ATOM 863 SD MET A 57 4.624 3.612 -1.003 1.00 0.00 S ATOM 864 CE MET A 57 5.743 4.923 -1.528 1.00 0.00 C ATOM 0 H MET A 57 0.739 4.974 -0.758 1.00 0.00 H new ATOM 0 HA MET A 57 2.079 2.579 -1.330 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.737 4.205 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.817 2.828 1.141 1.00 0.00 H new ATOM 0 HG2 MET A 57 3.061 5.378 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.030 4.987 0.880 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.509 4.507 -2.183 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.182 5.687 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.217 5.369 -0.653 1.00 0.00 H new ATOM 874 N GLY A 58 -0.488 1.948 0.658 1.00 0.00 N ATOM 875 CA GLY A 58 -1.448 0.858 0.938 1.00 0.00 C ATOM 876 C GLY A 58 -1.950 0.127 -0.319 1.00 0.00 C ATOM 877 O GLY A 58 -1.567 -1.025 -0.530 1.00 0.00 O ATOM 0 H GLY A 58 -0.789 2.857 1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.976 0.134 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.304 1.270 1.472 1.00 0.00 H new ATOM 881 N LEU A 59 -2.757 0.763 -1.184 1.00 0.00 N ATOM 882 CA LEU A 59 -3.201 0.148 -2.479 1.00 0.00 C ATOM 883 C LEU A 59 -2.109 -0.506 -3.413 1.00 0.00 C ATOM 884 O LEU A 59 -2.438 -1.364 -4.234 1.00 0.00 O ATOM 885 CB LEU A 59 -4.104 1.171 -3.246 1.00 0.00 C ATOM 886 CG LEU A 59 -5.560 0.718 -3.526 1.00 0.00 C ATOM 887 CD1 LEU A 59 -6.374 1.882 -4.120 1.00 0.00 C ATOM 888 CD2 LEU A 59 -5.666 -0.512 -4.446 1.00 0.00 C ATOM 0 H LEU A 59 -3.123 1.702 -1.025 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.761 -0.738 -2.180 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.137 2.097 -2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.627 1.403 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.970 0.418 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.395 1.551 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.389 2.713 -3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.916 2.207 -5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.716 -0.767 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.208 -0.286 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.149 -1.355 -3.987 1.00 0.00 H new ATOM 900 N VAL A 60 -0.822 -0.147 -3.232 1.00 0.00 N ATOM 901 CA VAL A 60 0.345 -0.856 -3.839 1.00 0.00 C ATOM 902 C VAL A 60 0.941 -2.021 -2.968 1.00 0.00 C ATOM 903 O VAL A 60 1.512 -2.938 -3.565 1.00 0.00 O ATOM 904 CB VAL A 60 1.399 0.199 -4.351 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.733 -0.389 -4.873 1.00 0.00 C ATOM 906 CG2 VAL A 60 0.850 1.106 -5.483 1.00 0.00 C ATOM 0 H VAL A 60 -0.551 0.650 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.019 -1.406 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 60 1.596 0.767 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.385 0.421 -5.200 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.221 -0.948 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.533 -1.055 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.623 1.810 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.559 0.490 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.018 1.656 -5.120 1.00 0.00 H new ATOM 916 N ASP A 61 0.755 -2.096 -1.626 1.00 0.00 N ATOM 917 CA ASP A 61 0.755 -3.393 -0.880 1.00 0.00 C ATOM 918 C ASP A 61 -0.214 -4.422 -1.539 1.00 0.00 C ATOM 919 O ASP A 61 0.268 -5.422 -2.071 1.00 0.00 O ATOM 920 CB ASP A 61 0.416 -3.195 0.632 1.00 0.00 C ATOM 921 CG ASP A 61 1.445 -2.422 1.460 1.00 0.00 C ATOM 922 OD1 ASP A 61 1.198 -1.367 2.037 1.00 0.00 O ATOM 923 OD2 ASP A 61 2.654 -3.055 1.508 1.00 0.00 O ATOM 0 H ASP A 61 0.603 -1.279 -1.034 1.00 0.00 H new ATOM 0 HA ASP A 61 1.766 -3.796 -0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.540 -2.677 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.281 -4.178 1.084 1.00 0.00 H new ATOM 929 N ALA A 62 -1.534 -4.129 -1.584 1.00 0.00 N ATOM 930 CA ALA A 62 -2.526 -4.906 -2.399 1.00 0.00 C ATOM 931 C ALA A 62 -2.070 -5.386 -3.816 1.00 0.00 C ATOM 932 O ALA A 62 -1.931 -6.594 -4.016 1.00 0.00 O ATOM 933 CB ALA A 62 -3.870 -4.148 -2.462 1.00 0.00 C ATOM 0 H ALA A 62 -1.950 -3.356 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 62 -2.636 -5.846 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.583 -4.720 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.261 -4.016 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.716 -3.172 -2.922 1.00 0.00 H new ATOM 939 N ILE A 63 -1.798 -4.467 -4.762 1.00 0.00 N ATOM 940 CA ILE A 63 -1.533 -4.813 -6.196 1.00 0.00 C ATOM 941 C ILE A 63 -0.165 -5.552 -6.407 1.00 0.00 C ATOM 942 O ILE A 63 -0.165 -6.657 -6.964 1.00 0.00 O ATOM 943 CB ILE A 63 -1.762 -3.548 -7.111 1.00 0.00 C ATOM 944 CG1 ILE A 63 -3.232 -3.019 -7.074 1.00 0.00 C ATOM 945 CG2 ILE A 63 -1.364 -3.791 -8.592 1.00 0.00 C ATOM 946 CD1 ILE A 63 -3.432 -1.580 -7.585 1.00 0.00 C ATOM 0 H ILE A 63 -1.753 -3.466 -4.569 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.262 -5.557 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.104 -2.792 -6.683 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.855 -3.687 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.594 -3.075 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.544 -2.885 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.307 -4.052 -8.647 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.961 -4.607 -9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.486 -1.313 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.843 -0.893 -6.977 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.108 -1.514 -8.624 1.00 0.00 H new ATOM 958 N ALA A 64 0.977 -4.957 -5.999 1.00 0.00 N ATOM 959 CA ALA A 64 2.323 -5.551 -6.199 1.00 0.00 C ATOM 960 C ALA A 64 2.543 -6.952 -5.553 1.00 0.00 C ATOM 961 O ALA A 64 2.963 -7.888 -6.241 1.00 0.00 O ATOM 962 CB ALA A 64 3.381 -4.531 -5.731 1.00 0.00 C ATOM 0 H ALA A 64 0.995 -4.055 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 64 2.422 -5.754 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.377 -4.950 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.287 -3.616 -6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.227 -4.305 -4.676 1.00 0.00 H new ATOM 968 N MET A 65 2.207 -7.104 -4.258 1.00 0.00 N ATOM 969 CA MET A 65 2.270 -8.387 -3.537 1.00 0.00 C ATOM 970 C MET A 65 1.303 -9.470 -4.092 1.00 0.00 C ATOM 971 O MET A 65 1.799 -10.551 -4.415 1.00 0.00 O ATOM 972 CB MET A 65 2.037 -8.098 -2.035 1.00 0.00 C ATOM 973 CG MET A 65 3.054 -7.192 -1.304 1.00 0.00 C ATOM 974 SD MET A 65 4.720 -7.893 -1.367 1.00 0.00 S ATOM 975 CE MET A 65 5.535 -6.813 -2.562 1.00 0.00 C ATOM 0 H MET A 65 1.881 -6.331 -3.678 1.00 0.00 H new ATOM 0 HA MET A 65 3.257 -8.824 -3.687 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.051 -7.645 -1.931 1.00 0.00 H new ATOM 0 HB3 MET A 65 2.005 -9.054 -1.512 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.056 -6.202 -1.760 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.750 -7.064 -0.265 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.569 -7.132 -2.695 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.012 -6.867 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.517 -5.786 -2.196 1.00 0.00 H new ATOM 985 N ILE A 66 -0.021 -9.212 -4.254 1.00 0.00 N ATOM 986 CA ILE A 66 -0.974 -10.226 -4.809 1.00 0.00 C ATOM 987 C ILE A 66 -0.590 -10.762 -6.236 1.00 0.00 C ATOM 988 O ILE A 66 -0.636 -11.973 -6.440 1.00 0.00 O ATOM 989 CB ILE A 66 -2.463 -9.756 -4.617 1.00 0.00 C ATOM 990 CG1 ILE A 66 -3.472 -10.870 -4.217 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.016 -8.870 -5.760 1.00 0.00 C ATOM 992 CD1 ILE A 66 -3.666 -12.049 -5.184 1.00 0.00 C ATOM 0 H ILE A 66 -0.456 -8.321 -4.013 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.879 -11.135 -4.214 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.377 -9.113 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.158 -11.275 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.444 -10.401 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.048 -8.595 -5.541 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.411 -7.968 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.980 -9.423 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.398 -12.743 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.022 -11.677 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.716 -12.565 -5.324 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.132 -9.910 -7.182 1.00 0.00 N ATOM 1005 CA ALA A 67 0.505 -10.375 -8.446 1.00 0.00 C ATOM 1006 C ALA A 67 1.819 -11.217 -8.328 1.00 0.00 C ATOM 1007 O ALA A 67 1.972 -12.175 -9.092 1.00 0.00 O ATOM 1008 CB ALA A 67 0.705 -9.120 -9.313 1.00 0.00 C ATOM 0 H ALA A 67 -0.190 -8.895 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.168 -11.107 -8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.171 -9.401 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.261 -8.655 -9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.347 -8.413 -8.788 1.00 0.00 H new ATOM 1014 N VAL A 68 2.735 -10.920 -7.380 1.00 0.00 N ATOM 1015 CA VAL A 68 3.899 -11.811 -7.054 1.00 0.00 C ATOM 1016 C VAL A 68 3.453 -13.207 -6.476 1.00 0.00 C ATOM 1017 O VAL A 68 3.854 -14.238 -7.025 1.00 0.00 O ATOM 1018 CB VAL A 68 4.949 -11.035 -6.175 1.00 0.00 C ATOM 1019 CG1 VAL A 68 6.101 -11.907 -5.616 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.615 -9.858 -6.930 1.00 0.00 C ATOM 0 H VAL A 68 2.701 -10.069 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 68 4.410 -12.073 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 68 4.337 -10.677 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.773 -11.286 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.688 -12.696 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.653 -12.354 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.329 -9.362 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.135 -10.238 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.851 -9.145 -7.240 1.00 0.00 H new ATOM 1030 N GLY A 69 2.642 -13.245 -5.400 1.00 0.00 N ATOM 1031 CA GLY A 69 2.142 -14.522 -4.814 1.00 0.00 C ATOM 1032 C GLY A 69 1.150 -15.378 -5.634 1.00 0.00 C ATOM 1033 O GLY A 69 1.311 -16.600 -5.664 1.00 0.00 O ATOM 0 H GLY A 69 2.315 -12.410 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.008 -15.144 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.666 -14.285 -3.863 1.00 0.00 H new ATOM 1037 N LEU A 70 0.166 -14.760 -6.319 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.614 -15.430 -7.406 1.00 0.00 C ATOM 1039 C LEU A 70 0.264 -15.969 -8.578 1.00 0.00 C ATOM 1040 O LEU A 70 0.059 -17.111 -8.992 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.754 -14.482 -7.886 1.00 0.00 C ATOM 1042 CG LEU A 70 -2.932 -15.034 -8.743 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -2.575 -15.282 -10.221 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.615 -16.273 -8.133 1.00 0.00 C ATOM 0 H LEU A 70 -0.116 -13.795 -6.146 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.061 -16.331 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.189 -14.026 -6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.287 -13.681 -8.459 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.657 -14.221 -8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.449 -15.665 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.257 -14.346 -10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.766 -16.010 -10.283 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.425 -16.600 -8.785 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.886 -17.076 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.018 -16.020 -7.152 1.00 0.00 H new ATOM 1056 N GLY A 71 1.269 -15.198 -9.049 1.00 0.00 N ATOM 1057 CA GLY A 71 2.400 -15.726 -9.861 1.00 0.00 C ATOM 1058 C GLY A 71 3.040 -17.074 -9.438 1.00 0.00 C ATOM 1059 O GLY A 71 3.063 -18.002 -10.248 1.00 0.00 O ATOM 0 H GLY A 71 1.324 -14.194 -8.880 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.052 -15.831 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.187 -14.971 -9.867 1.00 0.00 H new ATOM 1063 N LEU A 72 3.500 -17.212 -8.177 1.00 0.00 N ATOM 1064 CA LEU A 72 3.995 -18.512 -7.645 1.00 0.00 C ATOM 1065 C LEU A 72 2.925 -19.652 -7.523 1.00 0.00 C ATOM 1066 O LEU A 72 3.150 -20.764 -8.009 1.00 0.00 O ATOM 1067 CB LEU A 72 4.788 -18.325 -6.321 1.00 0.00 C ATOM 1068 CG LEU A 72 5.792 -19.477 -6.037 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.990 -19.520 -7.012 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.339 -19.387 -4.608 1.00 0.00 C ATOM 0 H LEU A 72 3.541 -16.446 -7.505 1.00 0.00 H new ATOM 0 HA LEU A 72 4.676 -18.871 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.331 -17.381 -6.361 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.085 -18.253 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 72 5.216 -20.392 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.644 -20.351 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.626 -19.655 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.546 -18.585 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.039 -20.204 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.852 -18.435 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.515 -19.458 -3.898 1.00 0.00 H new ATOM 1082 N TYR A 73 1.772 -19.351 -6.902 1.00 0.00 N ATOM 1083 CA TYR A 73 0.538 -20.189 -6.919 1.00 0.00 C ATOM 1084 C TYR A 73 0.103 -20.835 -8.277 1.00 0.00 C ATOM 1085 O TYR A 73 -0.318 -21.995 -8.295 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.581 -19.307 -6.296 1.00 0.00 C ATOM 1087 CG TYR A 73 -1.837 -20.035 -5.803 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -1.858 -20.637 -4.541 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -2.992 -20.050 -6.590 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.018 -21.251 -4.074 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.154 -20.653 -6.115 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.165 -21.258 -4.860 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.307 -21.853 -4.394 1.00 0.00 O ATOM 0 H TYR A 73 1.659 -18.497 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 73 0.752 -21.091 -6.346 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.154 -18.758 -5.456 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.885 -18.568 -7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.971 -20.626 -3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.983 -19.593 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.026 -21.721 -3.102 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.048 -20.652 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.017 -21.769 -5.065 1.00 0.00 H new ATOM 1103 N VAL A 74 0.216 -20.079 -9.383 1.00 0.00 N ATOM 1104 CA VAL A 74 -0.046 -20.580 -10.765 1.00 0.00 C ATOM 1105 C VAL A 74 1.161 -21.320 -11.447 1.00 0.00 C ATOM 1106 O VAL A 74 0.919 -22.267 -12.199 1.00 0.00 O ATOM 1107 CB VAL A 74 -0.736 -19.469 -11.630 1.00 0.00 C ATOM 1108 CG1 VAL A 74 0.194 -18.346 -12.137 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -1.518 -20.052 -12.827 1.00 0.00 C ATOM 0 H VAL A 74 0.492 -19.098 -9.355 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.763 -21.396 -10.679 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.424 -19.008 -10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.384 -17.632 -12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.646 -17.836 -11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.978 -18.776 -12.760 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.976 -19.240 -13.392 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.836 -20.604 -13.473 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.295 -20.723 -12.462 1.00 0.00 H new ATOM 1119 N MET A 75 2.433 -20.946 -11.182 1.00 0.00 N ATOM 1120 CA MET A 75 3.631 -21.716 -11.615 1.00 0.00 C ATOM 1121 C MET A 75 3.764 -23.144 -10.986 1.00 0.00 C ATOM 1122 O MET A 75 3.981 -24.102 -11.734 1.00 0.00 O ATOM 1123 CB MET A 75 4.886 -20.841 -11.362 1.00 0.00 C ATOM 1124 CG MET A 75 5.094 -19.660 -12.333 1.00 0.00 C ATOM 1125 SD MET A 75 5.298 -20.250 -14.031 1.00 0.00 S ATOM 1126 CE MET A 75 3.761 -19.689 -14.794 1.00 0.00 C ATOM 0 H MET A 75 2.663 -20.100 -10.661 1.00 0.00 H new ATOM 0 HA MET A 75 3.520 -21.927 -12.679 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.831 -20.446 -10.348 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.766 -21.482 -11.407 1.00 0.00 H new ATOM 0 HG2 MET A 75 4.240 -18.984 -12.278 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.973 -19.088 -12.034 1.00 0.00 H new ATOM 0 HE1 MET A 75 3.747 -19.983 -15.844 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.913 -20.141 -14.280 1.00 0.00 H new ATOM 0 HE3 MET A 75 3.693 -18.604 -14.720 1.00 0.00 H new ATOM 1136 N PHE A 76 3.580 -23.314 -9.657 1.00 0.00 N ATOM 1137 CA PHE A 76 3.291 -24.656 -9.055 1.00 0.00 C ATOM 1138 C PHE A 76 1.862 -25.259 -9.347 1.00 0.00 C ATOM 1139 O PHE A 76 1.661 -26.458 -9.139 1.00 0.00 O ATOM 1140 CB PHE A 76 3.631 -24.581 -7.534 1.00 0.00 C ATOM 1141 CG PHE A 76 3.836 -25.923 -6.792 1.00 0.00 C ATOM 1142 CD1 PHE A 76 4.787 -26.847 -7.247 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.119 -26.210 -5.622 1.00 0.00 C ATOM 1144 CE1 PHE A 76 4.993 -28.045 -6.566 1.00 0.00 C ATOM 1145 CE2 PHE A 76 3.342 -27.398 -4.935 1.00 0.00 C ATOM 1146 CZ PHE A 76 4.275 -28.315 -5.406 1.00 0.00 C ATOM 0 H PHE A 76 3.624 -22.554 -8.979 1.00 0.00 H new ATOM 0 HA PHE A 76 3.931 -25.382 -9.557 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.539 -23.988 -7.419 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.829 -24.037 -7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.365 -26.628 -8.133 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.390 -25.505 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.709 -28.763 -6.938 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.788 -27.609 -4.032 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.442 -29.238 -4.870 1.00 0.00 H new ATOM 1156 N ALA A 77 0.900 -24.458 -9.861 1.00 0.00 N ATOM 1157 CA ALA A 77 -0.406 -24.918 -10.417 1.00 0.00 C ATOM 1158 C ALA A 77 -1.393 -25.575 -9.405 1.00 0.00 C ATOM 1159 O ALA A 77 -1.847 -26.704 -9.605 1.00 0.00 O ATOM 1160 CB ALA A 77 -0.187 -25.709 -11.728 1.00 0.00 C ATOM 0 H ALA A 77 1.008 -23.445 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.961 -24.014 -10.669 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.150 -26.037 -12.120 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.304 -25.069 -12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.439 -26.579 -11.528 1.00 0.00 H new ATOM 1166 N VAL A 78 -1.733 -24.829 -8.332 1.00 0.00 N ATOM 1167 CA VAL A 78 -2.632 -25.278 -7.218 1.00 0.00 C ATOM 1168 C VAL A 78 -2.453 -26.750 -6.722 1.00 0.00 C ATOM 1169 O VAL A 78 -3.228 -27.662 -7.023 1.00 0.00 O ATOM 1170 CB VAL A 78 -4.083 -24.742 -7.369 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -4.875 -25.274 -8.585 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -4.941 -24.880 -6.091 1.00 0.00 C ATOM 0 H VAL A 78 -1.390 -23.877 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.258 -24.772 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.901 -23.684 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.872 -24.834 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.355 -25.005 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.957 -26.359 -8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.939 -24.484 -6.278 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.014 -25.932 -5.814 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.476 -24.322 -5.278 1.00 0.00 H new ATOM 1182 N ALA A 79 -1.353 -26.920 -5.989 1.00 0.00 N ATOM 1183 CA ALA A 79 -0.799 -28.249 -5.641 1.00 0.00 C ATOM 1184 C ALA A 79 -0.104 -28.181 -4.277 1.00 0.00 C ATOM 1185 O ALA A 79 -0.096 -29.115 -3.474 1.00 0.00 O ATOM 1186 CB ALA A 79 0.190 -28.696 -6.732 1.00 0.00 C ATOM 0 H ALA A 79 -0.811 -26.142 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.607 -28.978 -5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.597 -29.674 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.328 -28.758 -7.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.002 -27.973 -6.805 1.00 0.00 H new TER 1192 ALA A 79