USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=6 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 Set 1.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 MET CE :methyl -140:sc= 0 (180deg=-0.00326) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -135:sc= 0.0371 (180deg=0) USER MOD Set 2.2: A 51 THR OG1 : rot 89:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 -50:sc= 0.0415 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.216 K(o=0.22,f=-1.4!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -175:sc= 0 (180deg=-0.049) 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 16.874 -29.473 -5.587 1.00 0.00 N ATOM 2 CA MET A 1 15.462 -29.014 -5.631 1.00 0.00 C ATOM 3 C MET A 1 14.909 -28.726 -4.204 1.00 0.00 C ATOM 4 O MET A 1 14.622 -27.567 -3.895 1.00 0.00 O ATOM 5 CB MET A 1 14.577 -29.982 -6.467 1.00 0.00 C ATOM 6 CG MET A 1 14.834 -29.962 -7.984 1.00 0.00 C ATOM 7 SD MET A 1 13.682 -31.088 -8.799 1.00 0.00 S ATOM 8 CE MET A 1 14.164 -30.848 -10.518 1.00 0.00 C ATOM 0 H1 MET A 1 17.210 -29.655 -6.554 1.00 0.00 H new ATOM 0 H2 MET A 1 17.464 -28.738 -5.148 1.00 0.00 H new ATOM 0 H3 MET A 1 16.937 -30.348 -5.028 1.00 0.00 H new ATOM 0 HA MET A 1 15.428 -28.058 -6.154 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.733 -30.997 -6.102 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.530 -29.736 -6.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.709 -28.951 -8.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.861 -30.259 -8.194 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.546 -31.475 -11.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.027 -29.802 -10.792 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.212 -31.121 -10.644 1.00 0.00 H new ATOM 19 N GLU A 2 14.733 -29.765 -3.356 1.00 0.00 N ATOM 20 CA GLU A 2 14.123 -29.658 -1.999 1.00 0.00 C ATOM 21 C GLU A 2 12.615 -29.257 -2.054 1.00 0.00 C ATOM 22 O GLU A 2 12.257 -28.093 -1.854 1.00 0.00 O ATOM 23 CB GLU A 2 15.002 -28.837 -1.003 1.00 0.00 C ATOM 24 CG GLU A 2 14.554 -28.816 0.480 1.00 0.00 C ATOM 25 CD GLU A 2 14.534 -30.176 1.183 1.00 0.00 C ATOM 26 OE1 GLU A 2 15.504 -30.657 1.763 1.00 0.00 O ATOM 27 OE2 GLU A 2 13.316 -30.791 1.089 1.00 0.00 O ATOM 0 H GLU A 2 15.013 -30.717 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 2 14.115 -30.659 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.018 -29.231 -1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.044 -27.807 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.218 -28.151 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.554 -28.385 0.533 1.00 0.00 H new ATOM 35 N ASN A 3 11.738 -30.248 -2.310 1.00 0.00 N ATOM 36 CA ASN A 3 10.269 -30.013 -2.434 1.00 0.00 C ATOM 37 C ASN A 3 9.499 -29.499 -1.172 1.00 0.00 C ATOM 38 O ASN A 3 8.492 -28.809 -1.326 1.00 0.00 O ATOM 39 CB ASN A 3 9.612 -31.259 -3.088 1.00 0.00 C ATOM 40 CG ASN A 3 8.215 -31.006 -3.688 1.00 0.00 C ATOM 41 OD1 ASN A 3 8.053 -30.237 -4.631 1.00 0.00 O ATOM 42 ND2 ASN A 3 7.180 -31.631 -3.164 1.00 0.00 N ATOM 0 H ASN A 3 12.013 -31.222 -2.436 1.00 0.00 H new ATOM 0 HA ASN A 3 10.174 -29.141 -3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.269 -31.630 -3.875 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.534 -32.048 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.245 -31.476 -3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.313 -32.270 -2.380 1.00 0.00 H new ATOM 49 N LEU A 4 9.998 -29.772 0.042 1.00 0.00 N ATOM 50 CA LEU A 4 9.517 -29.114 1.295 1.00 0.00 C ATOM 51 C LEU A 4 9.703 -27.559 1.322 1.00 0.00 C ATOM 52 O LEU A 4 8.739 -26.848 1.611 1.00 0.00 O ATOM 53 CB LEU A 4 10.161 -29.834 2.515 1.00 0.00 C ATOM 54 CG LEU A 4 9.673 -29.409 3.930 1.00 0.00 C ATOM 55 CD1 LEU A 4 8.182 -29.712 4.176 1.00 0.00 C ATOM 56 CD2 LEU A 4 10.526 -30.091 5.017 1.00 0.00 C ATOM 0 H LEU A 4 10.744 -30.450 0.197 1.00 0.00 H new ATOM 0 HA LEU A 4 8.434 -29.228 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.988 -30.905 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.239 -29.679 2.469 1.00 0.00 H new ATOM 0 HG LEU A 4 9.792 -28.327 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.906 -29.391 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.576 -29.176 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.007 -30.783 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.173 -29.785 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.440 -31.173 4.921 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.569 -29.798 4.898 1.00 0.00 H new ATOM 68 N ASN A 5 10.894 -27.033 0.966 1.00 0.00 N ATOM 69 CA ASN A 5 11.090 -25.584 0.662 1.00 0.00 C ATOM 70 C ASN A 5 10.192 -25.002 -0.488 1.00 0.00 C ATOM 71 O ASN A 5 9.733 -23.865 -0.366 1.00 0.00 O ATOM 72 CB ASN A 5 12.608 -25.358 0.416 1.00 0.00 C ATOM 73 CG ASN A 5 13.053 -23.887 0.402 1.00 0.00 C ATOM 74 OD1 ASN A 5 13.110 -23.225 1.434 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.375 -23.338 -0.752 1.00 0.00 N ATOM 0 H ASN A 5 11.745 -27.588 0.879 1.00 0.00 H new ATOM 0 HA ASN A 5 10.746 -25.013 1.525 1.00 0.00 H new ATOM 0 HB2 ASN A 5 13.168 -25.884 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.878 -25.812 -0.537 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.672 -22.363 -0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 5 13.328 -23.888 -1.609 1.00 0.00 H new ATOM 82 N MET A 6 9.918 -25.767 -1.565 1.00 0.00 N ATOM 83 CA MET A 6 8.937 -25.380 -2.622 1.00 0.00 C ATOM 84 C MET A 6 7.451 -25.296 -2.141 1.00 0.00 C ATOM 85 O MET A 6 6.778 -24.322 -2.487 1.00 0.00 O ATOM 86 CB MET A 6 9.064 -26.306 -3.861 1.00 0.00 C ATOM 87 CG MET A 6 10.424 -26.293 -4.586 1.00 0.00 C ATOM 88 SD MET A 6 10.344 -27.383 -6.019 1.00 0.00 S ATOM 89 CE MET A 6 11.973 -27.083 -6.726 1.00 0.00 C ATOM 0 H MET A 6 10.364 -26.669 -1.734 1.00 0.00 H new ATOM 0 HA MET A 6 9.205 -24.360 -2.898 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.853 -27.328 -3.547 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.292 -26.027 -4.578 1.00 0.00 H new ATOM 0 HG2 MET A 6 10.673 -25.279 -4.899 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.213 -26.620 -3.909 1.00 0.00 H new ATOM 0 HE1 MET A 6 12.094 -27.683 -7.628 1.00 0.00 H new ATOM 0 HE2 MET A 6 12.072 -26.027 -6.977 1.00 0.00 H new ATOM 0 HE3 MET A 6 12.740 -27.357 -6.002 1.00 0.00 H new ATOM 99 N ASP A 7 6.963 -26.254 -1.318 1.00 0.00 N ATOM 100 CA ASP A 7 5.684 -26.135 -0.562 1.00 0.00 C ATOM 101 C ASP A 7 5.604 -24.899 0.393 1.00 0.00 C ATOM 102 O ASP A 7 4.583 -24.211 0.418 1.00 0.00 O ATOM 103 CB ASP A 7 5.405 -27.427 0.262 1.00 0.00 C ATOM 104 CG ASP A 7 5.112 -28.713 -0.518 1.00 0.00 C ATOM 105 OD1 ASP A 7 4.136 -28.860 -1.248 1.00 0.00 O ATOM 106 OD2 ASP A 7 6.028 -29.694 -0.266 1.00 0.00 O ATOM 0 H ASP A 7 7.445 -27.138 -1.156 1.00 0.00 H new ATOM 0 HA ASP A 7 4.923 -25.991 -1.329 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.268 -27.611 0.902 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.557 -27.231 0.918 1.00 0.00 H new ATOM 112 N LEU A 8 6.679 -24.623 1.158 1.00 0.00 N ATOM 113 CA LEU A 8 6.772 -23.441 2.054 1.00 0.00 C ATOM 114 C LEU A 8 6.771 -22.052 1.336 1.00 0.00 C ATOM 115 O LEU A 8 6.066 -21.144 1.787 1.00 0.00 O ATOM 116 CB LEU A 8 7.999 -23.593 3.002 1.00 0.00 C ATOM 117 CG LEU A 8 7.929 -24.718 4.075 1.00 0.00 C ATOM 118 CD1 LEU A 8 9.321 -24.985 4.676 1.00 0.00 C ATOM 119 CD2 LEU A 8 6.930 -24.399 5.205 1.00 0.00 C ATOM 0 H LEU A 8 7.512 -25.212 1.176 1.00 0.00 H new ATOM 0 HA LEU A 8 5.848 -23.435 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.882 -23.766 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.149 -22.644 3.516 1.00 0.00 H new ATOM 0 HG LEU A 8 7.573 -25.612 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.249 -25.775 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.005 -25.295 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.696 -24.075 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.922 -25.217 5.925 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.229 -23.478 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.932 -24.276 4.784 1.00 0.00 H new ATOM 131 N LEU A 9 7.536 -21.884 0.235 1.00 0.00 N ATOM 132 CA LEU A 9 7.590 -20.625 -0.555 1.00 0.00 C ATOM 133 C LEU A 9 6.259 -20.324 -1.315 1.00 0.00 C ATOM 134 O LEU A 9 5.704 -19.238 -1.140 1.00 0.00 O ATOM 135 CB LEU A 9 8.860 -20.628 -1.466 1.00 0.00 C ATOM 136 CG LEU A 9 9.686 -19.311 -1.491 1.00 0.00 C ATOM 137 CD1 LEU A 9 11.032 -19.531 -2.210 1.00 0.00 C ATOM 138 CD2 LEU A 9 8.952 -18.124 -2.141 1.00 0.00 C ATOM 0 H LEU A 9 8.138 -22.619 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 9 7.687 -19.786 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.514 -21.437 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.551 -20.859 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 9 9.848 -19.049 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.597 -18.599 -2.218 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.604 -20.297 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.849 -19.853 -3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.594 -17.243 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.707 -18.369 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.035 -17.918 -1.590 1.00 0.00 H new ATOM 150 N TYR A 10 5.712 -21.299 -2.077 1.00 0.00 N ATOM 151 CA TYR A 10 4.274 -21.376 -2.467 1.00 0.00 C ATOM 152 C TYR A 10 3.228 -20.878 -1.425 1.00 0.00 C ATOM 153 O TYR A 10 2.478 -19.944 -1.718 1.00 0.00 O ATOM 154 CB TYR A 10 4.040 -22.870 -2.873 1.00 0.00 C ATOM 155 CG TYR A 10 2.582 -23.355 -3.026 1.00 0.00 C ATOM 156 CD1 TYR A 10 1.813 -22.953 -4.116 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.015 -24.198 -2.059 1.00 0.00 C ATOM 158 CE1 TYR A 10 0.498 -23.398 -4.246 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.693 -24.616 -2.177 1.00 0.00 C ATOM 160 CZ TYR A 10 -0.066 -24.209 -3.268 1.00 0.00 C ATOM 161 OH TYR A 10 -1.372 -24.607 -3.385 1.00 0.00 O ATOM 0 H TYR A 10 6.264 -22.072 -2.448 1.00 0.00 H new ATOM 0 HA TYR A 10 4.101 -20.670 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.552 -23.044 -3.820 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.526 -23.500 -2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.236 -22.296 -4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.608 -24.525 -1.218 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.084 -23.112 -5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.258 -25.255 -1.423 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.936 -23.827 -3.569 1.00 0.00 H new ATOM 171 N MET A 11 3.148 -21.549 -0.259 1.00 0.00 N ATOM 172 CA MET A 11 2.050 -21.344 0.705 1.00 0.00 C ATOM 173 C MET A 11 2.110 -19.945 1.392 1.00 0.00 C ATOM 174 O MET A 11 1.100 -19.242 1.391 1.00 0.00 O ATOM 175 CB MET A 11 2.020 -22.553 1.681 1.00 0.00 C ATOM 176 CG MET A 11 0.765 -22.671 2.565 1.00 0.00 C ATOM 177 SD MET A 11 0.789 -21.444 3.889 1.00 0.00 S ATOM 178 CE MET A 11 -0.734 -21.879 4.749 1.00 0.00 C ATOM 0 H MET A 11 3.835 -22.241 0.039 1.00 0.00 H new ATOM 0 HA MET A 11 1.093 -21.319 0.184 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.118 -23.469 1.098 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.894 -22.493 2.330 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.128 -22.536 1.955 1.00 0.00 H new ATOM 0 HG3 MET A 11 0.710 -23.672 2.993 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.874 -21.214 5.601 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.578 -21.778 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.672 -22.909 5.100 1.00 0.00 H new ATOM 188 N ALA A 12 3.291 -19.510 1.884 1.00 0.00 N ATOM 189 CA ALA A 12 3.576 -18.090 2.195 1.00 0.00 C ATOM 190 C ALA A 12 3.290 -17.037 1.077 1.00 0.00 C ATOM 191 O ALA A 12 2.757 -15.980 1.410 1.00 0.00 O ATOM 192 CB ALA A 12 5.034 -18.007 2.684 1.00 0.00 C ATOM 0 H ALA A 12 4.075 -20.134 2.077 1.00 0.00 H new ATOM 0 HA ALA A 12 2.857 -17.800 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.279 -16.972 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.155 -18.623 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.701 -18.367 1.901 1.00 0.00 H new ATOM 198 N ALA A 13 3.593 -17.301 -0.212 1.00 0.00 N ATOM 199 CA ALA A 13 3.233 -16.409 -1.338 1.00 0.00 C ATOM 200 C ALA A 13 1.716 -16.274 -1.640 1.00 0.00 C ATOM 201 O ALA A 13 1.245 -15.143 -1.704 1.00 0.00 O ATOM 202 CB ALA A 13 4.051 -16.856 -2.561 1.00 0.00 C ATOM 0 H ALA A 13 4.095 -18.140 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 13 3.488 -15.390 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.811 -16.219 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.115 -16.776 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.808 -17.891 -2.802 1.00 0.00 H new ATOM 208 N ALA A 14 0.946 -17.368 -1.768 1.00 0.00 N ATOM 209 CA ALA A 14 -0.548 -17.325 -1.728 1.00 0.00 C ATOM 210 C ALA A 14 -1.214 -16.728 -0.445 1.00 0.00 C ATOM 211 O ALA A 14 -2.177 -15.966 -0.565 1.00 0.00 O ATOM 212 CB ALA A 14 -1.088 -18.734 -2.023 1.00 0.00 C ATOM 0 H ALA A 14 1.326 -18.305 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.832 -16.606 -2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.178 -18.719 -1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.753 -19.053 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.717 -19.431 -1.271 1.00 0.00 H new ATOM 218 N VAL A 15 -0.691 -17.001 0.769 1.00 0.00 N ATOM 219 CA VAL A 15 -1.060 -16.239 2.005 1.00 0.00 C ATOM 220 C VAL A 15 -0.782 -14.694 1.894 1.00 0.00 C ATOM 221 O VAL A 15 -1.687 -13.893 2.145 1.00 0.00 O ATOM 222 CB VAL A 15 -0.511 -16.935 3.295 1.00 0.00 C ATOM 223 CG1 VAL A 15 -0.647 -16.117 4.603 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.160 -18.316 3.566 1.00 0.00 C ATOM 0 H VAL A 15 -0.010 -17.743 0.931 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.145 -16.279 2.105 1.00 0.00 H new ATOM 0 HB VAL A 15 0.547 -17.036 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.237 -16.690 5.435 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.101 -15.179 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.699 -15.906 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.736 -18.745 4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.236 -18.194 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.965 -18.981 2.725 1.00 0.00 H new ATOM 234 N MET A 16 0.432 -14.289 1.472 1.00 0.00 N ATOM 235 CA MET A 16 0.747 -12.878 1.099 1.00 0.00 C ATOM 236 C MET A 16 -0.099 -12.271 -0.082 1.00 0.00 C ATOM 237 O MET A 16 -0.459 -11.098 -0.012 1.00 0.00 O ATOM 238 CB MET A 16 2.280 -12.771 0.850 1.00 0.00 C ATOM 239 CG MET A 16 2.900 -11.410 1.206 1.00 0.00 C ATOM 240 SD MET A 16 3.011 -11.245 2.999 1.00 0.00 S ATOM 241 CE MET A 16 3.877 -9.669 3.122 1.00 0.00 C ATOM 0 H MET A 16 1.226 -14.922 1.377 1.00 0.00 H new ATOM 0 HA MET A 16 0.446 -12.253 1.940 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.782 -13.545 1.429 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.478 -12.980 -0.201 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.891 -11.323 0.761 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.293 -10.604 0.793 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.027 -9.417 4.172 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.844 -9.746 2.625 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.284 -8.890 2.643 1.00 0.00 H new ATOM 251 N MET A 17 -0.458 -13.050 -1.126 1.00 0.00 N ATOM 252 CA MET A 17 -1.473 -12.650 -2.158 1.00 0.00 C ATOM 253 C MET A 17 -2.937 -12.395 -1.652 1.00 0.00 C ATOM 254 O MET A 17 -3.630 -11.561 -2.240 1.00 0.00 O ATOM 255 CB MET A 17 -1.386 -13.600 -3.398 1.00 0.00 C ATOM 256 CG MET A 17 -2.500 -14.628 -3.695 1.00 0.00 C ATOM 257 SD MET A 17 -3.945 -13.823 -4.412 1.00 0.00 S ATOM 258 CE MET A 17 -5.021 -15.255 -4.616 1.00 0.00 C ATOM 0 H MET A 17 -0.060 -13.975 -1.288 1.00 0.00 H new ATOM 0 HA MET A 17 -1.188 -11.644 -2.465 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.294 -12.966 -4.280 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.454 -14.157 -3.308 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.125 -15.388 -4.380 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.783 -15.139 -2.775 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.969 -14.939 -5.052 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.542 -15.979 -5.275 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.204 -15.714 -3.644 1.00 0.00 H new ATOM 268 N GLY A 18 -3.402 -13.092 -0.597 1.00 0.00 N ATOM 269 CA GLY A 18 -4.681 -12.752 0.094 1.00 0.00 C ATOM 270 C GLY A 18 -4.665 -11.562 1.086 1.00 0.00 C ATOM 271 O GLY A 18 -5.671 -10.860 1.195 1.00 0.00 O ATOM 0 H GLY A 18 -2.918 -13.896 -0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.430 -12.543 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.016 -13.637 0.636 1.00 0.00 H new ATOM 275 N LEU A 19 -3.534 -11.326 1.778 1.00 0.00 N ATOM 276 CA LEU A 19 -3.264 -10.093 2.574 1.00 0.00 C ATOM 277 C LEU A 19 -3.756 -8.695 2.022 1.00 0.00 C ATOM 278 O LEU A 19 -4.376 -8.003 2.834 1.00 0.00 O ATOM 279 CB LEU A 19 -1.749 -10.119 2.922 1.00 0.00 C ATOM 280 CG LEU A 19 -1.242 -9.099 3.981 1.00 0.00 C ATOM 281 CD1 LEU A 19 -1.802 -9.371 5.391 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.296 -9.096 4.022 1.00 0.00 C ATOM 0 H LEU A 19 -2.763 -11.993 1.806 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.907 -10.148 3.452 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.501 -11.121 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.189 -9.956 2.001 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.608 -8.119 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.413 -8.627 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.890 -9.312 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.499 -10.366 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.639 -8.378 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.655 -10.091 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.686 -8.817 3.043 1.00 0.00 H new ATOM 294 N PRO A 20 -3.588 -8.230 0.740 1.00 0.00 N ATOM 295 CA PRO A 20 -4.314 -7.043 0.183 1.00 0.00 C ATOM 296 C PRO A 20 -5.855 -6.896 0.384 1.00 0.00 C ATOM 297 O PRO A 20 -6.315 -5.759 0.519 1.00 0.00 O ATOM 298 CB PRO A 20 -3.941 -7.076 -1.304 1.00 0.00 C ATOM 299 CG PRO A 20 -3.361 -8.453 -1.590 1.00 0.00 C ATOM 300 CD PRO A 20 -2.720 -8.863 -0.271 1.00 0.00 C ATOM 0 HA PRO A 20 -3.999 -6.169 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.817 -6.891 -1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.215 -6.297 -1.536 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.136 -9.157 -1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.628 -8.418 -2.396 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.693 -9.947 -0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.692 -8.509 -0.196 1.00 0.00 H new ATOM 308 N ALA A 21 -6.637 -7.996 0.441 1.00 0.00 N ATOM 309 CA ALA A 21 -8.064 -7.939 0.877 1.00 0.00 C ATOM 310 C ALA A 21 -8.354 -7.374 2.310 1.00 0.00 C ATOM 311 O ALA A 21 -9.395 -6.745 2.512 1.00 0.00 O ATOM 312 CB ALA A 21 -8.672 -9.342 0.696 1.00 0.00 C ATOM 0 H ALA A 21 -6.314 -8.932 0.194 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.539 -7.194 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.716 -9.329 1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.610 -9.633 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.121 -10.059 1.305 1.00 0.00 H new ATOM 318 N ILE A 22 -7.433 -7.557 3.275 1.00 0.00 N ATOM 319 CA ILE A 22 -7.399 -6.773 4.547 1.00 0.00 C ATOM 320 C ILE A 22 -6.625 -5.421 4.317 1.00 0.00 C ATOM 321 O ILE A 22 -7.196 -4.353 4.546 1.00 0.00 O ATOM 322 CB ILE A 22 -6.843 -7.657 5.730 1.00 0.00 C ATOM 323 CG1 ILE A 22 -7.674 -8.956 5.986 1.00 0.00 C ATOM 324 CG2 ILE A 22 -6.733 -6.859 7.058 1.00 0.00 C ATOM 325 CD1 ILE A 22 -6.971 -10.035 6.830 1.00 0.00 C ATOM 0 H ILE A 22 -6.687 -8.250 3.205 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.408 -6.495 4.851 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.847 -7.954 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.604 -8.680 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.943 -9.390 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.346 -7.509 7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.057 -6.015 6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.719 -6.492 7.345 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.633 -10.893 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.055 -10.349 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.727 -9.628 7.811 1.00 0.00 H new ATOM 337 N GLY A 23 -5.341 -5.465 3.902 1.00 0.00 N ATOM 338 CA GLY A 23 -4.429 -4.292 3.905 1.00 0.00 C ATOM 339 C GLY A 23 -4.755 -3.114 2.964 1.00 0.00 C ATOM 340 O GLY A 23 -4.985 -2.005 3.446 1.00 0.00 O ATOM 0 H GLY A 23 -4.902 -6.317 3.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.389 -3.904 4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.428 -4.647 3.659 1.00 0.00 H new ATOM 344 N ALA A 24 -4.761 -3.342 1.640 1.00 0.00 N ATOM 345 CA ALA A 24 -5.132 -2.296 0.645 1.00 0.00 C ATOM 346 C ALA A 24 -6.624 -1.851 0.548 1.00 0.00 C ATOM 347 O ALA A 24 -6.899 -0.723 0.129 1.00 0.00 O ATOM 348 CB ALA A 24 -4.618 -2.748 -0.727 1.00 0.00 C ATOM 0 H ALA A 24 -4.514 -4.240 1.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.656 -1.388 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.876 -2.000 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.535 -2.866 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.077 -3.700 -0.992 1.00 0.00 H new ATOM 354 N ALA A 25 -7.560 -2.717 0.963 1.00 0.00 N ATOM 355 CA ALA A 25 -8.989 -2.353 1.178 1.00 0.00 C ATOM 356 C ALA A 25 -9.245 -1.381 2.374 1.00 0.00 C ATOM 357 O ALA A 25 -9.937 -0.374 2.198 1.00 0.00 O ATOM 358 CB ALA A 25 -9.794 -3.657 1.317 1.00 0.00 C ATOM 0 H ALA A 25 -7.357 -3.696 1.163 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.320 -1.781 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.846 -3.420 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.688 -4.248 0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.419 -4.228 2.166 1.00 0.00 H new ATOM 364 N ILE A 26 -8.634 -1.631 3.554 1.00 0.00 N ATOM 365 CA ILE A 26 -8.457 -0.600 4.630 1.00 0.00 C ATOM 366 C ILE A 26 -7.630 0.655 4.155 1.00 0.00 C ATOM 367 O ILE A 26 -7.962 1.764 4.582 1.00 0.00 O ATOM 368 CB ILE A 26 -7.914 -1.281 5.946 1.00 0.00 C ATOM 369 CG1 ILE A 26 -8.911 -2.332 6.538 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.540 -0.274 7.071 1.00 0.00 C ATOM 371 CD1 ILE A 26 -8.331 -3.289 7.595 1.00 0.00 C ATOM 0 H ILE A 26 -8.248 -2.543 3.797 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.434 -0.181 4.870 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.003 -1.782 5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.751 -1.797 6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.310 -2.928 5.717 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.176 -0.820 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.761 0.399 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.421 0.305 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.110 -3.972 7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.512 -3.861 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.959 -2.713 8.443 1.00 0.00 H new ATOM 383 N GLY A 27 -6.610 0.508 3.276 1.00 0.00 N ATOM 384 CA GLY A 27 -5.883 1.651 2.664 1.00 0.00 C ATOM 385 C GLY A 27 -6.766 2.652 1.891 1.00 0.00 C ATOM 386 O GLY A 27 -6.988 3.758 2.384 1.00 0.00 O ATOM 0 H GLY A 27 -6.267 -0.403 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.355 2.189 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.127 1.258 1.985 1.00 0.00 H new ATOM 390 N ILE A 28 -7.346 2.227 0.754 1.00 0.00 N ATOM 391 CA ILE A 28 -8.444 2.966 0.045 1.00 0.00 C ATOM 392 C ILE A 28 -9.566 3.513 1.004 1.00 0.00 C ATOM 393 O ILE A 28 -9.585 4.716 1.282 1.00 0.00 O ATOM 394 CB ILE A 28 -8.917 2.101 -1.193 1.00 0.00 C ATOM 395 CG1 ILE A 28 -7.873 2.107 -2.352 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.329 2.407 -1.768 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.802 3.406 -3.181 1.00 0.00 C ATOM 0 H ILE A 28 -7.076 1.361 0.288 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.064 3.903 -0.361 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.997 1.107 -0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.887 1.913 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.100 1.280 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.530 1.746 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.080 2.246 -0.994 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.369 3.444 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.045 3.301 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.771 3.597 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.540 4.240 -2.529 1.00 0.00 H new ATOM 409 N GLY A 29 -10.436 2.637 1.537 1.00 0.00 N ATOM 410 CA GLY A 29 -11.645 3.052 2.298 1.00 0.00 C ATOM 411 C GLY A 29 -11.455 3.855 3.605 1.00 0.00 C ATOM 412 O GLY A 29 -12.028 4.938 3.746 1.00 0.00 O ATOM 0 H GLY A 29 -10.329 1.626 1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.268 3.648 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.209 2.151 2.541 1.00 0.00 H new ATOM 416 N ILE A 30 -10.679 3.314 4.555 1.00 0.00 N ATOM 417 CA ILE A 30 -10.426 3.968 5.876 1.00 0.00 C ATOM 418 C ILE A 30 -9.282 5.023 5.781 1.00 0.00 C ATOM 419 O ILE A 30 -9.467 6.103 6.350 1.00 0.00 O ATOM 420 CB ILE A 30 -10.271 2.879 7.009 1.00 0.00 C ATOM 421 CG1 ILE A 30 -11.595 2.149 7.408 1.00 0.00 C ATOM 422 CG2 ILE A 30 -9.664 3.426 8.331 1.00 0.00 C ATOM 423 CD1 ILE A 30 -12.226 1.216 6.362 1.00 0.00 C ATOM 0 H ILE A 30 -10.206 2.417 4.445 1.00 0.00 H new ATOM 0 HA ILE A 30 -11.294 4.557 6.173 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.591 2.173 6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.401 1.565 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.332 2.907 7.673 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.590 2.618 9.059 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.671 3.831 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.305 4.214 8.727 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -13.137 0.776 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.467 1.786 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.522 0.423 6.110 1.00 0.00 H new ATOM 435 N LEU A 31 -8.133 4.774 5.112 1.00 0.00 N ATOM 436 CA LEU A 31 -7.072 5.809 4.970 1.00 0.00 C ATOM 437 C LEU A 31 -7.439 6.903 3.910 1.00 0.00 C ATOM 438 O LEU A 31 -7.202 8.071 4.206 1.00 0.00 O ATOM 439 CB LEU A 31 -5.634 5.207 4.903 1.00 0.00 C ATOM 440 CG LEU A 31 -5.297 4.106 5.958 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.904 3.486 5.755 1.00 0.00 C ATOM 442 CD2 LEU A 31 -5.412 4.597 7.418 1.00 0.00 C ATOM 0 H LEU A 31 -7.914 3.882 4.667 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.034 6.378 5.899 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.485 4.786 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.917 6.020 5.015 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.056 3.342 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.728 2.728 6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.851 3.026 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.144 4.264 5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.164 3.781 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.722 5.425 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.431 4.932 7.610 1.00 0.00 H new ATOM 454 N GLY A 32 -8.126 6.622 2.776 1.00 0.00 N ATOM 455 CA GLY A 32 -8.827 7.686 2.000 1.00 0.00 C ATOM 456 C GLY A 32 -9.985 8.458 2.687 1.00 0.00 C ATOM 457 O GLY A 32 -10.085 9.671 2.492 1.00 0.00 O ATOM 0 H GLY A 32 -8.212 5.686 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.080 8.416 1.688 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.224 7.229 1.094 1.00 0.00 H new ATOM 461 N GLY A 33 -10.818 7.796 3.516 1.00 0.00 N ATOM 462 CA GLY A 33 -11.738 8.492 4.461 1.00 0.00 C ATOM 463 C GLY A 33 -11.082 9.455 5.487 1.00 0.00 C ATOM 464 O GLY A 33 -11.435 10.635 5.531 1.00 0.00 O ATOM 0 H GLY A 33 -10.878 6.779 3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.462 9.059 3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.296 7.735 5.012 1.00 0.00 H new ATOM 468 N LYS A 34 -10.087 8.963 6.252 1.00 0.00 N ATOM 469 CA LYS A 34 -9.150 9.814 7.050 1.00 0.00 C ATOM 470 C LYS A 34 -8.445 10.998 6.287 1.00 0.00 C ATOM 471 O LYS A 34 -8.407 12.117 6.803 1.00 0.00 O ATOM 472 CB LYS A 34 -8.137 8.827 7.698 1.00 0.00 C ATOM 473 CG LYS A 34 -7.182 9.435 8.744 1.00 0.00 C ATOM 474 CD LYS A 34 -6.127 8.419 9.239 1.00 0.00 C ATOM 475 CE LYS A 34 -5.117 8.978 10.260 1.00 0.00 C ATOM 476 NZ LYS A 34 -4.173 9.943 9.661 1.00 0.00 N ATOM 0 H LYS A 34 -9.901 7.964 6.341 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.730 10.368 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.697 8.020 8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.539 8.378 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.676 10.299 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.761 9.797 9.594 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.643 7.571 9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.578 8.039 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.659 9.463 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.556 8.153 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.208 9.734 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.211 9.868 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.434 10.908 9.948 1.00 0.00 H new ATOM 489 N PHE A 35 -7.917 10.764 5.070 1.00 0.00 N ATOM 490 CA PHE A 35 -7.388 11.813 4.157 1.00 0.00 C ATOM 491 C PHE A 35 -8.404 12.943 3.779 1.00 0.00 C ATOM 492 O PHE A 35 -8.022 14.115 3.786 1.00 0.00 O ATOM 493 CB PHE A 35 -6.704 11.090 2.942 1.00 0.00 C ATOM 494 CG PHE A 35 -6.621 11.832 1.592 1.00 0.00 C ATOM 495 CD1 PHE A 35 -5.592 12.739 1.344 1.00 0.00 C ATOM 496 CD2 PHE A 35 -7.614 11.640 0.622 1.00 0.00 C ATOM 497 CE1 PHE A 35 -5.544 13.437 0.139 1.00 0.00 C ATOM 498 CE2 PHE A 35 -7.564 12.336 -0.583 1.00 0.00 C ATOM 499 CZ PHE A 35 -6.528 13.233 -0.824 1.00 0.00 C ATOM 0 H PHE A 35 -7.842 9.824 4.680 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.637 12.399 4.687 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.688 10.831 3.240 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.235 10.153 2.773 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.828 12.902 2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.422 10.949 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.743 14.137 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.328 12.180 -1.330 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.487 13.772 -1.759 1.00 0.00 H new ATOM 509 N LEU A 36 -9.663 12.603 3.445 1.00 0.00 N ATOM 510 CA LEU A 36 -10.740 13.580 3.217 1.00 0.00 C ATOM 511 C LEU A 36 -11.146 14.359 4.514 1.00 0.00 C ATOM 512 O LEU A 36 -11.395 15.561 4.418 1.00 0.00 O ATOM 513 CB LEU A 36 -11.831 12.779 2.435 1.00 0.00 C ATOM 514 CG LEU A 36 -13.184 13.448 2.081 1.00 0.00 C ATOM 515 CD1 LEU A 36 -14.083 13.486 3.324 1.00 0.00 C ATOM 516 CD2 LEU A 36 -13.046 14.833 1.418 1.00 0.00 C ATOM 0 H LEU A 36 -9.962 11.635 3.325 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.455 14.438 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.380 12.447 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.055 11.885 3.017 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.657 12.831 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.033 13.957 3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.263 12.470 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.592 14.059 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.037 15.233 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.521 15.509 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.483 14.737 0.490 1.00 0.00 H new ATOM 528 N GLU A 37 -11.204 13.736 5.714 1.00 0.00 N ATOM 529 CA GLU A 37 -11.264 14.451 7.013 1.00 0.00 C ATOM 530 C GLU A 37 -10.147 15.529 7.252 1.00 0.00 C ATOM 531 O GLU A 37 -10.449 16.620 7.742 1.00 0.00 O ATOM 532 CB GLU A 37 -11.286 13.331 8.093 1.00 0.00 C ATOM 533 CG GLU A 37 -12.108 13.641 9.353 1.00 0.00 C ATOM 534 CD GLU A 37 -11.496 14.669 10.308 1.00 0.00 C ATOM 535 OE1 GLU A 37 -10.546 14.427 11.049 1.00 0.00 O ATOM 536 OE2 GLU A 37 -12.124 15.880 10.238 1.00 0.00 O ATOM 0 H GLU A 37 -11.211 12.721 5.810 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.157 15.075 7.048 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.679 12.421 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.260 13.120 8.393 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.091 13.998 9.045 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.264 12.712 9.900 1.00 0.00 H new ATOM 544 N GLY A 38 -8.894 15.256 6.826 1.00 0.00 N ATOM 545 CA GLY A 38 -7.882 16.316 6.595 1.00 0.00 C ATOM 546 C GLY A 38 -8.183 17.361 5.491 1.00 0.00 C ATOM 547 O GLY A 38 -7.892 18.540 5.702 1.00 0.00 O ATOM 0 H GLY A 38 -8.557 14.312 6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.734 16.851 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.936 15.832 6.351 1.00 0.00 H new ATOM 551 N ALA A 39 -8.756 16.958 4.337 1.00 0.00 N ATOM 552 CA ALA A 39 -9.085 17.908 3.233 1.00 0.00 C ATOM 553 C ALA A 39 -10.255 18.904 3.506 1.00 0.00 C ATOM 554 O ALA A 39 -10.209 20.042 3.030 1.00 0.00 O ATOM 555 CB ALA A 39 -9.310 17.097 1.945 1.00 0.00 C ATOM 0 H ALA A 39 -9.002 15.988 4.138 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.228 18.574 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.552 17.774 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.404 16.542 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.134 16.399 2.094 1.00 0.00 H new ATOM 561 N ALA A 40 -11.255 18.498 4.313 1.00 0.00 N ATOM 562 CA ALA A 40 -12.257 19.417 4.912 1.00 0.00 C ATOM 563 C ALA A 40 -11.714 20.584 5.807 1.00 0.00 C ATOM 564 O ALA A 40 -12.295 21.671 5.780 1.00 0.00 O ATOM 565 CB ALA A 40 -13.238 18.511 5.681 1.00 0.00 C ATOM 0 H ALA A 40 -11.395 17.521 4.572 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.724 19.978 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.008 19.124 6.150 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.705 17.810 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.697 17.957 6.448 1.00 0.00 H new ATOM 571 N ARG A 41 -10.613 20.384 6.565 1.00 0.00 N ATOM 572 CA ARG A 41 -9.906 21.471 7.292 1.00 0.00 C ATOM 573 C ARG A 41 -8.936 22.272 6.363 1.00 0.00 C ATOM 574 O ARG A 41 -9.084 23.492 6.244 1.00 0.00 O ATOM 575 CB ARG A 41 -9.269 20.815 8.554 1.00 0.00 C ATOM 576 CG ARG A 41 -8.685 21.757 9.633 1.00 0.00 C ATOM 577 CD ARG A 41 -7.335 22.390 9.250 1.00 0.00 C ATOM 578 NE ARG A 41 -6.693 23.104 10.382 1.00 0.00 N ATOM 579 CZ ARG A 41 -5.867 22.555 11.285 1.00 0.00 C ATOM 580 NH1 ARG A 41 -5.528 21.279 11.302 1.00 0.00 N ATOM 581 NH2 ARG A 41 -5.371 23.335 12.209 1.00 0.00 N ATOM 0 H ARG A 41 -10.187 19.466 6.692 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.584 22.256 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.027 20.191 9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.472 20.150 8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.403 22.552 9.833 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.562 21.198 10.560 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.663 21.611 8.890 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.486 23.087 8.426 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.898 24.098 10.482 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.901 20.643 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.893 20.929 12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.616 24.325 12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.739 22.954 12.913 1.00 0.00 H new ATOM 594 N GLN A 42 -7.944 21.607 5.741 1.00 0.00 N ATOM 595 CA GLN A 42 -6.987 22.245 4.803 1.00 0.00 C ATOM 596 C GLN A 42 -6.676 21.242 3.644 1.00 0.00 C ATOM 597 O GLN A 42 -6.109 20.182 3.937 1.00 0.00 O ATOM 598 CB GLN A 42 -5.664 22.693 5.506 1.00 0.00 C ATOM 599 CG GLN A 42 -5.302 24.185 5.325 1.00 0.00 C ATOM 600 CD GLN A 42 -4.909 24.595 3.892 1.00 0.00 C ATOM 601 OE1 GLN A 42 -4.233 23.874 3.162 1.00 0.00 O ATOM 602 NE2 GLN A 42 -5.318 25.767 3.452 1.00 0.00 N ATOM 0 H GLN A 42 -7.779 20.609 5.872 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.449 23.151 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.747 22.481 6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.843 22.086 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.153 24.790 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.476 24.426 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.879 26.370 4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.073 26.072 2.510 1.00 0.00 H new ATOM 611 N PRO A 43 -6.943 21.526 2.334 1.00 0.00 N ATOM 612 CA PRO A 43 -6.538 20.626 1.214 1.00 0.00 C ATOM 613 C PRO A 43 -5.020 20.460 0.870 1.00 0.00 C ATOM 614 O PRO A 43 -4.685 19.584 0.069 1.00 0.00 O ATOM 615 CB PRO A 43 -7.390 21.158 0.049 1.00 0.00 C ATOM 616 CG PRO A 43 -7.653 22.630 0.368 1.00 0.00 C ATOM 617 CD PRO A 43 -7.741 22.683 1.893 1.00 0.00 C ATOM 0 HA PRO A 43 -6.716 19.588 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.866 21.051 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.324 20.603 -0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.851 23.266 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.577 22.977 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.339 23.618 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.773 22.611 2.236 1.00 0.00 H new ATOM 625 N ASP A 44 -4.115 21.220 1.512 1.00 0.00 N ATOM 626 CA ASP A 44 -2.662 20.886 1.571 1.00 0.00 C ATOM 627 C ASP A 44 -2.159 20.843 3.055 1.00 0.00 C ATOM 628 O ASP A 44 -1.228 21.562 3.436 1.00 0.00 O ATOM 629 CB ASP A 44 -1.857 21.865 0.667 1.00 0.00 C ATOM 630 CG ASP A 44 -2.059 21.673 -0.841 1.00 0.00 C ATOM 631 OD1 ASP A 44 -1.455 20.835 -1.504 1.00 0.00 O ATOM 632 OD2 ASP A 44 -2.989 22.533 -1.355 1.00 0.00 O ATOM 0 H ASP A 44 -4.358 22.080 2.005 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.497 19.884 1.175 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.134 22.887 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.796 21.755 0.893 1.00 0.00 H new ATOM 638 N LEU A 45 -2.724 19.936 3.881 1.00 0.00 N ATOM 639 CA LEU A 45 -2.189 19.620 5.239 1.00 0.00 C ATOM 640 C LEU A 45 -0.917 18.697 5.187 1.00 0.00 C ATOM 641 O LEU A 45 -0.721 17.906 4.259 1.00 0.00 O ATOM 642 CB LEU A 45 -3.315 18.986 6.128 1.00 0.00 C ATOM 643 CG LEU A 45 -3.874 19.846 7.292 1.00 0.00 C ATOM 644 CD1 LEU A 45 -5.097 19.147 7.917 1.00 0.00 C ATOM 645 CD2 LEU A 45 -2.854 20.171 8.400 1.00 0.00 C ATOM 0 H LEU A 45 -3.557 19.402 3.635 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.867 20.558 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.147 18.718 5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.929 18.058 6.550 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.148 20.801 6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.486 19.755 8.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.870 19.020 7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.801 18.170 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.334 20.775 9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.488 19.244 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.017 20.724 7.973 1.00 0.00 H new ATOM 657 N ILE A 46 -0.089 18.754 6.249 1.00 0.00 N ATOM 658 CA ILE A 46 1.044 17.798 6.472 1.00 0.00 C ATOM 659 C ILE A 46 0.498 16.346 6.781 1.00 0.00 C ATOM 660 O ILE A 46 0.831 15.461 5.985 1.00 0.00 O ATOM 661 CB ILE A 46 2.117 18.366 7.479 1.00 0.00 C ATOM 662 CG1 ILE A 46 2.846 19.671 7.015 1.00 0.00 C ATOM 663 CG2 ILE A 46 3.226 17.326 7.799 1.00 0.00 C ATOM 664 CD1 ILE A 46 2.058 20.986 7.140 1.00 0.00 C ATOM 0 H ILE A 46 -0.176 19.458 6.982 1.00 0.00 H new ATOM 0 HA ILE A 46 1.612 17.690 5.548 1.00 0.00 H new ATOM 0 HB ILE A 46 1.516 18.602 8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.766 19.770 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.136 19.546 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.942 17.761 8.496 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.776 16.440 8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.739 17.046 6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.673 21.814 6.786 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.151 20.925 6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.791 21.152 8.184 1.00 0.00 H new ATOM 676 N PRO A 47 -0.355 16.031 7.810 1.00 0.00 N ATOM 677 CA PRO A 47 -1.102 14.737 7.885 1.00 0.00 C ATOM 678 C PRO A 47 -2.017 14.317 6.679 1.00 0.00 C ATOM 679 O PRO A 47 -2.268 13.121 6.516 1.00 0.00 O ATOM 680 CB PRO A 47 -1.872 14.860 9.215 1.00 0.00 C ATOM 681 CG PRO A 47 -1.962 16.360 9.498 1.00 0.00 C ATOM 682 CD PRO A 47 -0.653 16.922 8.947 1.00 0.00 C ATOM 0 HA PRO A 47 -0.392 13.912 7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.864 14.415 9.137 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -1.352 14.339 10.019 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.826 16.807 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -2.064 16.559 10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.763 17.959 8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.140 16.900 9.694 1.00 0.00 H new ATOM 690 N LEU A 48 -2.463 15.256 5.821 1.00 0.00 N ATOM 691 CA LEU A 48 -3.053 14.940 4.487 1.00 0.00 C ATOM 692 C LEU A 48 -2.046 14.312 3.484 1.00 0.00 C ATOM 693 O LEU A 48 -2.355 13.254 2.943 1.00 0.00 O ATOM 694 CB LEU A 48 -3.768 16.215 3.962 1.00 0.00 C ATOM 695 CG LEU A 48 -4.490 16.169 2.586 1.00 0.00 C ATOM 696 CD1 LEU A 48 -5.542 17.279 2.525 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.555 16.354 1.370 1.00 0.00 C ATOM 0 H LEU A 48 -2.428 16.255 6.024 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.790 14.145 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.505 16.509 4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.026 17.012 3.916 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.926 15.172 2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.049 17.247 1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.271 17.134 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.057 18.247 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.140 16.309 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.059 17.322 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.806 15.562 1.363 1.00 0.00 H new ATOM 709 N LEU A 49 -0.869 14.917 3.233 1.00 0.00 N ATOM 710 CA LEU A 49 0.202 14.282 2.398 1.00 0.00 C ATOM 711 C LEU A 49 0.838 12.973 2.974 1.00 0.00 C ATOM 712 O LEU A 49 1.194 12.088 2.190 1.00 0.00 O ATOM 713 CB LEU A 49 1.287 15.343 2.055 1.00 0.00 C ATOM 714 CG LEU A 49 0.840 16.587 1.231 1.00 0.00 C ATOM 715 CD1 LEU A 49 1.968 17.634 1.181 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.394 16.231 -0.200 1.00 0.00 C ATOM 0 H LEU A 49 -0.624 15.841 3.589 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.298 13.936 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.719 15.697 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.084 14.843 1.504 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.027 17.002 1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.639 18.496 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.216 17.951 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.850 17.197 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.094 17.139 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.221 15.761 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.449 15.542 -0.157 1.00 0.00 H new ATOM 728 N ARG A 50 0.890 12.803 4.312 1.00 0.00 N ATOM 729 CA ARG A 50 1.041 11.460 4.950 1.00 0.00 C ATOM 730 C ARG A 50 -0.064 10.435 4.573 1.00 0.00 C ATOM 731 O ARG A 50 0.255 9.308 4.190 1.00 0.00 O ATOM 732 CB ARG A 50 1.054 11.600 6.498 1.00 0.00 C ATOM 733 CG ARG A 50 2.331 12.212 7.126 1.00 0.00 C ATOM 734 CD ARG A 50 3.501 11.228 7.381 1.00 0.00 C ATOM 735 NE ARG A 50 4.090 10.598 6.169 1.00 0.00 N ATOM 736 CZ ARG A 50 4.944 11.184 5.317 1.00 0.00 C ATOM 737 NH1 ARG A 50 5.390 12.419 5.446 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.355 10.486 4.290 1.00 0.00 N ATOM 0 H ARG A 50 0.830 13.573 4.979 1.00 0.00 H new ATOM 0 HA ARG A 50 1.985 11.074 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.202 12.213 6.792 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.901 10.612 6.931 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.688 13.008 6.472 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.059 12.676 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.290 11.761 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.149 10.438 8.044 1.00 0.00 H new ATOM 0 HE ARG A 50 3.820 9.635 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.085 12.992 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.040 12.801 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.026 9.530 4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.005 10.898 3.620 1.00 0.00 H new ATOM 751 N THR A 51 -1.346 10.815 4.709 1.00 0.00 N ATOM 752 CA THR A 51 -2.488 9.903 4.463 1.00 0.00 C ATOM 753 C THR A 51 -2.786 9.645 2.944 1.00 0.00 C ATOM 754 O THR A 51 -3.134 8.517 2.603 1.00 0.00 O ATOM 755 CB THR A 51 -3.708 10.315 5.339 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.333 10.678 6.668 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.691 9.156 5.516 1.00 0.00 C ATOM 0 H THR A 51 -1.624 11.755 4.990 1.00 0.00 H new ATOM 0 HA THR A 51 -2.205 8.905 4.797 1.00 0.00 H new ATOM 0 HB THR A 51 -4.151 11.158 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.129 11.636 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.529 9.481 6.133 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.060 8.839 4.540 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.186 8.321 6.001 1.00 0.00 H new ATOM 765 N GLN A 52 -2.571 10.610 2.022 1.00 0.00 N ATOM 766 CA GLN A 52 -2.408 10.364 0.567 1.00 0.00 C ATOM 767 C GLN A 52 -1.301 9.332 0.175 1.00 0.00 C ATOM 768 O GLN A 52 -1.585 8.365 -0.540 1.00 0.00 O ATOM 769 CB GLN A 52 -2.214 11.748 -0.118 1.00 0.00 C ATOM 770 CG GLN A 52 -2.781 11.858 -1.546 1.00 0.00 C ATOM 771 CD GLN A 52 -2.016 11.098 -2.641 1.00 0.00 C ATOM 772 OE1 GLN A 52 -0.847 11.358 -2.912 1.00 0.00 O ATOM 773 NE2 GLN A 52 -2.647 10.148 -3.300 1.00 0.00 N ATOM 0 H GLN A 52 -2.504 11.597 2.269 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.311 9.871 0.206 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.684 12.511 0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.148 11.974 -0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.810 11.498 -1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.815 12.912 -1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.618 9.931 -3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.164 9.630 -4.034 1.00 0.00 H new ATOM 782 N PHE A 53 -0.075 9.503 0.708 1.00 0.00 N ATOM 783 CA PHE A 53 0.962 8.426 0.740 1.00 0.00 C ATOM 784 C PHE A 53 0.477 7.029 1.285 1.00 0.00 C ATOM 785 O PHE A 53 0.758 6.006 0.652 1.00 0.00 O ATOM 786 CB PHE A 53 2.218 9.017 1.452 1.00 0.00 C ATOM 787 CG PHE A 53 3.366 8.045 1.776 1.00 0.00 C ATOM 788 CD1 PHE A 53 4.212 7.574 0.767 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.542 7.591 3.089 1.00 0.00 C ATOM 790 CE1 PHE A 53 5.216 6.655 1.067 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.545 6.674 3.386 1.00 0.00 C ATOM 792 CZ PHE A 53 5.381 6.205 2.376 1.00 0.00 C ATOM 0 H PHE A 53 0.233 10.380 1.128 1.00 0.00 H new ATOM 0 HA PHE A 53 1.219 8.148 -0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.617 9.814 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.892 9.477 2.385 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.087 7.923 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.896 7.954 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.866 6.291 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.675 6.326 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.158 5.492 2.607 1.00 0.00 H new ATOM 802 N PHE A 54 -0.273 6.990 2.404 1.00 0.00 N ATOM 803 CA PHE A 54 -0.908 5.765 2.934 1.00 0.00 C ATOM 804 C PHE A 54 -1.995 5.084 2.032 1.00 0.00 C ATOM 805 O PHE A 54 -2.085 3.854 2.029 1.00 0.00 O ATOM 806 CB PHE A 54 -1.467 6.059 4.351 1.00 0.00 C ATOM 807 CG PHE A 54 -0.539 6.509 5.511 1.00 0.00 C ATOM 808 CD1 PHE A 54 0.856 6.356 5.487 1.00 0.00 C ATOM 809 CD2 PHE A 54 -1.132 7.120 6.623 1.00 0.00 C ATOM 810 CE1 PHE A 54 1.639 6.856 6.525 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.348 7.617 7.660 1.00 0.00 C ATOM 812 CZ PHE A 54 1.037 7.490 7.607 1.00 0.00 C ATOM 0 H PHE A 54 -0.457 7.817 2.972 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.112 5.020 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.229 6.830 4.237 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.976 5.155 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.326 5.847 4.658 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.207 7.206 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.713 6.751 6.490 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.814 8.101 8.505 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.645 7.884 8.407 1.00 0.00 H new ATOM 822 N ILE A 55 -2.779 5.853 1.243 1.00 0.00 N ATOM 823 CA ILE A 55 -3.591 5.318 0.103 1.00 0.00 C ATOM 824 C ILE A 55 -2.696 4.593 -0.962 1.00 0.00 C ATOM 825 O ILE A 55 -3.008 3.450 -1.302 1.00 0.00 O ATOM 826 CB ILE A 55 -4.497 6.416 -0.573 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.414 7.208 0.400 1.00 0.00 C ATOM 828 CG2 ILE A 55 -5.398 5.832 -1.695 1.00 0.00 C ATOM 829 CD1 ILE A 55 -5.954 8.528 -0.176 1.00 0.00 C ATOM 0 H ILE A 55 -2.873 6.861 1.370 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.263 4.578 0.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.763 7.110 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.256 6.576 0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.857 7.423 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.002 6.629 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.773 5.388 -2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.052 5.068 -1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.584 9.018 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.120 9.181 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.541 8.321 -1.071 1.00 0.00 H new ATOM 841 N VAL A 56 -1.617 5.240 -1.468 1.00 0.00 N ATOM 842 CA VAL A 56 -0.714 4.671 -2.519 1.00 0.00 C ATOM 843 C VAL A 56 -0.091 3.307 -2.089 1.00 0.00 C ATOM 844 O VAL A 56 -0.368 2.308 -2.752 1.00 0.00 O ATOM 845 CB VAL A 56 0.324 5.745 -3.011 1.00 0.00 C ATOM 846 CG1 VAL A 56 1.320 5.213 -4.072 1.00 0.00 C ATOM 847 CG2 VAL A 56 -0.331 7.014 -3.615 1.00 0.00 C ATOM 0 H VAL A 56 -1.342 6.174 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.315 4.423 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 56 0.854 5.996 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.004 6.011 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.888 4.383 -3.653 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.770 4.871 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.447 7.709 -3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.941 6.735 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.960 7.491 -2.864 1.00 0.00 H new ATOM 857 N MET A 57 0.657 3.230 -0.971 1.00 0.00 N ATOM 858 CA MET A 57 1.119 1.934 -0.396 1.00 0.00 C ATOM 859 C MET A 57 0.034 0.855 -0.032 1.00 0.00 C ATOM 860 O MET A 57 0.341 -0.342 -0.062 1.00 0.00 O ATOM 861 CB MET A 57 2.158 2.180 0.726 1.00 0.00 C ATOM 862 CG MET A 57 1.626 2.746 2.050 1.00 0.00 C ATOM 863 SD MET A 57 0.906 1.427 3.054 1.00 0.00 S ATOM 864 CE MET A 57 0.276 2.367 4.456 1.00 0.00 C ATOM 0 H MET A 57 0.959 4.047 -0.441 1.00 0.00 H new ATOM 0 HA MET A 57 1.602 1.432 -1.234 1.00 0.00 H new ATOM 0 HB2 MET A 57 2.660 1.236 0.937 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.915 2.865 0.344 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.435 3.229 2.598 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.876 3.511 1.851 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.119 1.681 5.206 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.083 2.956 4.892 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.518 3.033 4.120 1.00 0.00 H new ATOM 874 N GLY A 58 -1.230 1.266 0.231 1.00 0.00 N ATOM 875 CA GLY A 58 -2.401 0.375 0.242 1.00 0.00 C ATOM 876 C GLY A 58 -2.640 -0.256 -1.133 1.00 0.00 C ATOM 877 O GLY A 58 -2.156 -1.369 -1.318 1.00 0.00 O ATOM 0 H GLY A 58 -1.461 2.237 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.255 -0.411 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.285 0.937 0.544 1.00 0.00 H new ATOM 881 N LEU A 59 -3.295 0.396 -2.117 1.00 0.00 N ATOM 882 CA LEU A 59 -3.484 -0.223 -3.479 1.00 0.00 C ATOM 883 C LEU A 59 -2.219 -0.651 -4.318 1.00 0.00 C ATOM 884 O LEU A 59 -2.355 -1.295 -5.363 1.00 0.00 O ATOM 885 CB LEU A 59 -4.606 0.504 -4.272 1.00 0.00 C ATOM 886 CG LEU A 59 -4.247 1.746 -5.128 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.425 2.096 -6.057 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.862 2.953 -4.261 1.00 0.00 C ATOM 0 H LEU A 59 -3.698 1.327 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.826 -1.232 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.066 -0.229 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.369 0.809 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.373 1.497 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.168 2.969 -6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.633 1.252 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.309 2.314 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.619 3.799 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.698 3.217 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.996 2.700 -3.650 1.00 0.00 H new ATOM 900 N VAL A 60 -1.008 -0.389 -3.799 1.00 0.00 N ATOM 901 CA VAL A 60 0.253 -1.082 -4.199 1.00 0.00 C ATOM 902 C VAL A 60 0.455 -2.485 -3.533 1.00 0.00 C ATOM 903 O VAL A 60 0.862 -3.407 -4.247 1.00 0.00 O ATOM 904 CB VAL A 60 1.470 -0.099 -4.040 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.882 -0.729 -4.111 1.00 0.00 C ATOM 906 CG2 VAL A 60 1.442 1.075 -5.048 1.00 0.00 C ATOM 0 H VAL A 60 -0.863 0.318 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 60 0.175 -1.339 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 60 1.316 0.251 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.635 0.050 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.991 -1.468 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.016 -1.214 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.309 1.715 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.467 0.682 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.530 1.655 -4.906 1.00 0.00 H new ATOM 916 N ASP A 61 0.134 -2.701 -2.235 1.00 0.00 N ATOM 917 CA ASP A 61 -0.191 -4.064 -1.712 1.00 0.00 C ATOM 918 C ASP A 61 -1.258 -4.829 -2.569 1.00 0.00 C ATOM 919 O ASP A 61 -1.016 -5.990 -2.895 1.00 0.00 O ATOM 920 CB ASP A 61 -0.586 -3.997 -0.206 1.00 0.00 C ATOM 921 CG ASP A 61 -0.565 -5.336 0.550 1.00 0.00 C ATOM 922 OD1 ASP A 61 0.247 -6.234 0.339 1.00 0.00 O ATOM 923 OD2 ASP A 61 -1.549 -5.410 1.495 1.00 0.00 O ATOM 0 H ASP A 61 0.091 -1.963 -1.532 1.00 0.00 H new ATOM 0 HA ASP A 61 0.720 -4.657 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.090 -3.306 0.297 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.588 -3.574 -0.131 1.00 0.00 H new ATOM 929 N ALA A 62 -2.374 -4.190 -2.998 1.00 0.00 N ATOM 930 CA ALA A 62 -3.282 -4.764 -4.036 1.00 0.00 C ATOM 931 C ALA A 62 -2.576 -5.264 -5.331 1.00 0.00 C ATOM 932 O ALA A 62 -2.447 -6.478 -5.467 1.00 0.00 O ATOM 933 CB ALA A 62 -4.490 -3.850 -4.319 1.00 0.00 C ATOM 0 H ALA A 62 -2.671 -3.280 -2.646 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.669 -5.680 -3.589 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.122 -4.308 -5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.065 -3.713 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.138 -2.882 -4.674 1.00 0.00 H new ATOM 939 N ILE A 63 -2.083 -4.394 -6.233 1.00 0.00 N ATOM 940 CA ILE A 63 -1.550 -4.821 -7.568 1.00 0.00 C ATOM 941 C ILE A 63 -0.257 -5.715 -7.475 1.00 0.00 C ATOM 942 O ILE A 63 -0.261 -6.850 -7.972 1.00 0.00 O ATOM 943 CB ILE A 63 -1.427 -3.580 -8.532 1.00 0.00 C ATOM 944 CG1 ILE A 63 -2.715 -2.710 -8.698 1.00 0.00 C ATOM 945 CG2 ILE A 63 -0.884 -3.942 -9.938 1.00 0.00 C ATOM 946 CD1 ILE A 63 -3.979 -3.421 -9.218 1.00 0.00 C ATOM 0 H ILE A 63 -2.037 -3.388 -6.074 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.277 -5.496 -8.020 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.698 -2.967 -8.002 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.950 -2.266 -7.731 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.484 -1.890 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.825 -3.041 -10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.109 -4.381 -9.843 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.553 -4.659 -10.413 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.798 -2.704 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.781 -3.840 -10.204 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.254 -4.222 -8.532 1.00 0.00 H new ATOM 958 N ALA A 64 0.826 -5.209 -6.849 1.00 0.00 N ATOM 959 CA ALA A 64 2.113 -5.934 -6.732 1.00 0.00 C ATOM 960 C ALA A 64 2.062 -7.273 -5.938 1.00 0.00 C ATOM 961 O ALA A 64 2.495 -8.301 -6.463 1.00 0.00 O ATOM 962 CB ALA A 64 3.169 -4.961 -6.169 1.00 0.00 C ATOM 0 H ALA A 64 0.835 -4.288 -6.410 1.00 0.00 H new ATOM 0 HA ALA A 64 2.386 -6.262 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.125 -5.476 -6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.279 -4.113 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.851 -4.606 -5.189 1.00 0.00 H new ATOM 968 N MET A 65 1.513 -7.274 -4.705 1.00 0.00 N ATOM 969 CA MET A 65 1.377 -8.507 -3.885 1.00 0.00 C ATOM 970 C MET A 65 0.387 -9.583 -4.441 1.00 0.00 C ATOM 971 O MET A 65 0.724 -10.772 -4.383 1.00 0.00 O ATOM 972 CB MET A 65 1.068 -8.134 -2.412 1.00 0.00 C ATOM 973 CG MET A 65 1.690 -9.079 -1.375 1.00 0.00 C ATOM 974 SD MET A 65 3.492 -8.930 -1.353 1.00 0.00 S ATOM 975 CE MET A 65 3.718 -7.442 -0.356 1.00 0.00 C ATOM 0 H MET A 65 1.154 -6.434 -4.250 1.00 0.00 H new ATOM 0 HA MET A 65 2.345 -9.006 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.425 -7.122 -2.224 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.013 -8.122 -2.272 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.291 -8.851 -0.386 1.00 0.00 H new ATOM 0 HG3 MET A 65 1.410 -10.108 -1.602 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.520 -6.838 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.793 -6.865 -0.349 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.977 -7.724 0.665 1.00 0.00 H new ATOM 985 N ILE A 66 -0.788 -9.193 -5.006 1.00 0.00 N ATOM 986 CA ILE A 66 -1.706 -10.150 -5.694 1.00 0.00 C ATOM 987 C ILE A 66 -1.035 -10.877 -6.904 1.00 0.00 C ATOM 988 O ILE A 66 -0.901 -12.098 -6.861 1.00 0.00 O ATOM 989 CB ILE A 66 -3.125 -9.537 -5.990 1.00 0.00 C ATOM 990 CG1 ILE A 66 -4.204 -10.653 -5.991 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.219 -8.657 -7.268 1.00 0.00 C ATOM 992 CD1 ILE A 66 -5.632 -10.200 -6.313 1.00 0.00 C ATOM 0 H ILE A 66 -1.122 -8.229 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.908 -10.951 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.313 -8.840 -5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.912 -11.414 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.207 -11.130 -5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.237 -8.285 -7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.532 -7.815 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.953 -9.253 -8.141 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.301 -11.060 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.955 -9.465 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.656 -9.753 -7.307 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.572 -10.143 -7.932 1.00 0.00 N ATOM 1005 CA ALA A 67 0.087 -10.741 -9.124 1.00 0.00 C ATOM 1006 C ALA A 67 1.415 -11.535 -8.907 1.00 0.00 C ATOM 1007 O ALA A 67 1.626 -12.533 -9.601 1.00 0.00 O ATOM 1008 CB ALA A 67 0.255 -9.588 -10.128 1.00 0.00 C ATOM 0 H ALA A 67 -0.640 -9.126 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.557 -11.544 -9.483 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.736 -9.960 -11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.724 -9.179 -10.379 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.872 -8.806 -9.685 1.00 0.00 H new ATOM 1014 N VAL A 68 2.277 -11.145 -7.945 1.00 0.00 N ATOM 1015 CA VAL A 68 3.489 -11.940 -7.561 1.00 0.00 C ATOM 1016 C VAL A 68 3.107 -13.288 -6.849 1.00 0.00 C ATOM 1017 O VAL A 68 3.512 -14.352 -7.331 1.00 0.00 O ATOM 1018 CB VAL A 68 4.523 -11.043 -6.786 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.740 -11.815 -6.218 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.094 -9.893 -7.653 1.00 0.00 C ATOM 0 H VAL A 68 2.166 -10.283 -7.411 1.00 0.00 H new ATOM 0 HA VAL A 68 4.006 -12.259 -8.466 1.00 0.00 H new ATOM 0 HB VAL A 68 3.926 -10.651 -5.962 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.401 -11.121 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.394 -12.577 -5.519 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.282 -12.291 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.801 -9.310 -7.063 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.603 -10.311 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.280 -9.249 -7.985 1.00 0.00 H new ATOM 1030 N GLY A 69 2.344 -13.259 -5.736 1.00 0.00 N ATOM 1031 CA GLY A 69 1.912 -14.503 -5.042 1.00 0.00 C ATOM 1032 C GLY A 69 0.850 -15.410 -5.715 1.00 0.00 C ATOM 1033 O GLY A 69 0.940 -16.630 -5.571 1.00 0.00 O ATOM 0 H GLY A 69 2.014 -12.399 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.801 -15.110 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.527 -14.217 -4.063 1.00 0.00 H new ATOM 1037 N LEU A 70 -0.115 -14.844 -6.468 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.974 -15.614 -7.420 1.00 0.00 C ATOM 1039 C LEU A 70 -0.164 -16.278 -8.579 1.00 0.00 C ATOM 1040 O LEU A 70 -0.384 -17.458 -8.858 1.00 0.00 O ATOM 1041 CB LEU A 70 -2.130 -14.690 -7.906 1.00 0.00 C ATOM 1042 CG LEU A 70 -3.371 -15.353 -8.572 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -4.599 -14.425 -8.464 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.158 -15.701 -10.058 1.00 0.00 C ATOM 0 H LEU A 70 -0.328 -13.847 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.411 -16.466 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.480 -14.115 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.711 -13.978 -8.617 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.533 -16.285 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.459 -14.903 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.820 -14.234 -7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.388 -13.482 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.063 -16.160 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.935 -14.792 -10.616 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.326 -16.398 -10.153 1.00 0.00 H new ATOM 1056 N GLY A 71 0.808 -15.567 -9.193 1.00 0.00 N ATOM 1057 CA GLY A 71 1.878 -16.191 -10.020 1.00 0.00 C ATOM 1058 C GLY A 71 2.579 -17.459 -9.465 1.00 0.00 C ATOM 1059 O GLY A 71 2.571 -18.485 -10.150 1.00 0.00 O ATOM 0 H GLY A 71 0.877 -14.551 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.447 -16.444 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.644 -15.437 -10.200 1.00 0.00 H new ATOM 1063 N LEU A 72 3.131 -17.417 -8.234 1.00 0.00 N ATOM 1064 CA LEU A 72 3.732 -18.611 -7.581 1.00 0.00 C ATOM 1065 C LEU A 72 2.745 -19.774 -7.232 1.00 0.00 C ATOM 1066 O LEU A 72 3.012 -20.928 -7.579 1.00 0.00 O ATOM 1067 CB LEU A 72 4.590 -18.210 -6.349 1.00 0.00 C ATOM 1068 CG LEU A 72 5.658 -19.271 -5.963 1.00 0.00 C ATOM 1069 CD1 LEU A 72 6.773 -19.462 -7.015 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.318 -18.907 -4.627 1.00 0.00 C ATOM 0 H LEU A 72 3.175 -16.570 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 72 4.376 -19.035 -8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.089 -17.263 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.931 -18.043 -5.497 1.00 0.00 H new ATOM 0 HG LEU A 72 5.110 -20.210 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.476 -20.219 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.332 -19.783 -7.959 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.299 -18.519 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.063 -19.661 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.801 -17.934 -4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.559 -18.868 -3.845 1.00 0.00 H new ATOM 1082 N TYR A 73 1.612 -19.460 -6.577 1.00 0.00 N ATOM 1083 CA TYR A 73 0.421 -20.351 -6.457 1.00 0.00 C ATOM 1084 C TYR A 73 0.008 -21.180 -7.720 1.00 0.00 C ATOM 1085 O TYR A 73 -0.237 -22.387 -7.633 1.00 0.00 O ATOM 1086 CB TYR A 73 -0.738 -19.461 -5.929 1.00 0.00 C ATOM 1087 CG TYR A 73 -2.043 -20.180 -5.550 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -2.107 -21.007 -4.423 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -3.191 -19.987 -6.326 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -3.306 -21.616 -4.064 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -4.393 -20.577 -5.948 1.00 0.00 C ATOM 1092 CZ TYR A 73 -4.450 -21.395 -4.823 1.00 0.00 C ATOM 1093 OH TYR A 73 -5.634 -21.980 -4.455 1.00 0.00 O ATOM 0 H TYR A 73 1.487 -18.565 -6.104 1.00 0.00 H new ATOM 0 HA TYR A 73 0.686 -21.155 -5.770 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.380 -18.921 -5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.969 -18.716 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.221 -21.174 -3.828 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.144 -19.380 -7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.348 -22.259 -3.197 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.285 -20.400 -6.530 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.336 -21.724 -5.089 1.00 0.00 H new ATOM 1103 N VAL A 74 -0.054 -20.499 -8.870 1.00 0.00 N ATOM 1104 CA VAL A 74 -0.386 -21.116 -10.186 1.00 0.00 C ATOM 1105 C VAL A 74 0.825 -21.909 -10.795 1.00 0.00 C ATOM 1106 O VAL A 74 0.615 -23.018 -11.288 1.00 0.00 O ATOM 1107 CB VAL A 74 -1.052 -20.047 -11.122 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -1.363 -20.560 -12.545 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -2.393 -19.497 -10.566 1.00 0.00 C ATOM 0 H VAL A 74 0.124 -19.496 -8.928 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.137 -21.894 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.293 -19.266 -11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.821 -19.761 -13.128 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.438 -20.877 -13.028 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.049 -21.405 -12.485 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.801 -18.763 -11.261 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.101 -20.317 -10.447 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.220 -19.025 -9.599 1.00 0.00 H new ATOM 1119 N MET A 75 2.072 -21.393 -10.739 1.00 0.00 N ATOM 1120 CA MET A 75 3.304 -22.150 -11.112 1.00 0.00 C ATOM 1121 C MET A 75 3.517 -23.520 -10.378 1.00 0.00 C ATOM 1122 O MET A 75 3.805 -24.514 -11.050 1.00 0.00 O ATOM 1123 CB MET A 75 4.503 -21.169 -10.963 1.00 0.00 C ATOM 1124 CG MET A 75 5.856 -21.647 -11.525 1.00 0.00 C ATOM 1125 SD MET A 75 6.608 -22.872 -10.431 1.00 0.00 S ATOM 1126 CE MET A 75 8.104 -23.258 -11.358 1.00 0.00 C ATOM 0 H MET A 75 2.261 -20.438 -10.434 1.00 0.00 H new ATOM 0 HA MET A 75 3.201 -22.485 -12.144 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.241 -20.232 -11.455 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.633 -20.947 -9.904 1.00 0.00 H new ATOM 0 HG2 MET A 75 5.712 -22.078 -12.516 1.00 0.00 H new ATOM 0 HG3 MET A 75 6.527 -20.796 -11.642 1.00 0.00 H new ATOM 0 HE1 MET A 75 8.685 -24.004 -10.816 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.834 -23.650 -12.338 1.00 0.00 H new ATOM 0 HE3 MET A 75 8.699 -22.353 -11.481 1.00 0.00 H new ATOM 1136 N PHE A 76 3.381 -23.584 -9.036 1.00 0.00 N ATOM 1137 CA PHE A 76 3.577 -24.841 -8.260 1.00 0.00 C ATOM 1138 C PHE A 76 2.365 -25.823 -8.335 1.00 0.00 C ATOM 1139 O PHE A 76 2.506 -26.918 -8.887 1.00 0.00 O ATOM 1140 CB PHE A 76 4.058 -24.469 -6.823 1.00 0.00 C ATOM 1141 CG PHE A 76 4.476 -25.651 -5.924 1.00 0.00 C ATOM 1142 CD1 PHE A 76 5.630 -26.386 -6.226 1.00 0.00 C ATOM 1143 CD2 PHE A 76 3.713 -26.009 -4.805 1.00 0.00 C ATOM 1144 CE1 PHE A 76 6.002 -27.470 -5.434 1.00 0.00 C ATOM 1145 CE2 PHE A 76 4.092 -27.087 -4.013 1.00 0.00 C ATOM 1146 CZ PHE A 76 5.235 -27.816 -4.326 1.00 0.00 C ATOM 0 H PHE A 76 3.135 -22.779 -8.460 1.00 0.00 H new ATOM 0 HA PHE A 76 4.364 -25.436 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.904 -23.787 -6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.258 -23.923 -6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.235 -26.111 -7.078 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.826 -25.445 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.885 -28.041 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.498 -27.359 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.527 -28.652 -3.708 1.00 0.00 H new ATOM 1156 N ALA A 77 1.206 -25.446 -7.774 1.00 0.00 N ATOM 1157 CA ALA A 77 0.021 -26.347 -7.678 1.00 0.00 C ATOM 1158 C ALA A 77 -0.773 -26.591 -8.996 1.00 0.00 C ATOM 1159 O ALA A 77 -1.070 -27.748 -9.303 1.00 0.00 O ATOM 1160 CB ALA A 77 -0.891 -25.841 -6.547 1.00 0.00 C ATOM 0 H ALA A 77 1.053 -24.520 -7.375 1.00 0.00 H new ATOM 0 HA ALA A 77 0.414 -27.339 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.763 -26.490 -6.464 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.342 -25.849 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.216 -24.824 -6.769 1.00 0.00 H new ATOM 1166 N VAL A 78 -1.122 -25.538 -9.766 1.00 0.00 N ATOM 1167 CA VAL A 78 -1.856 -25.681 -11.064 1.00 0.00 C ATOM 1168 C VAL A 78 -0.950 -26.305 -12.181 1.00 0.00 C ATOM 1169 O VAL A 78 -1.290 -27.356 -12.732 1.00 0.00 O ATOM 1170 CB VAL A 78 -2.590 -24.350 -11.470 1.00 0.00 C ATOM 1171 CG1 VAL A 78 -3.416 -24.478 -12.772 1.00 0.00 C ATOM 1172 CG2 VAL A 78 -3.540 -23.787 -10.383 1.00 0.00 C ATOM 0 H VAL A 78 -0.911 -24.571 -9.519 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.658 -26.406 -10.925 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.759 -23.659 -11.614 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.896 -23.525 -12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.757 -24.753 -13.595 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.178 -25.247 -12.645 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.004 -22.870 -10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.314 -24.522 -10.160 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.971 -23.573 -9.478 1.00 0.00 H new ATOM 1182 N ALA A 79 0.193 -25.668 -12.484 1.00 0.00 N ATOM 1183 CA ALA A 79 1.222 -26.218 -13.395 1.00 0.00 C ATOM 1184 C ALA A 79 2.224 -27.094 -12.623 1.00 0.00 C ATOM 1185 O ALA A 79 2.706 -28.127 -13.089 1.00 0.00 O ATOM 1186 CB ALA A 79 1.940 -25.039 -14.068 1.00 0.00 C ATOM 0 H ALA A 79 0.435 -24.753 -12.104 1.00 0.00 H new ATOM 0 HA ALA A 79 0.752 -26.850 -14.148 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.705 -25.418 -14.746 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.218 -24.446 -14.630 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.407 -24.415 -13.306 1.00 0.00 H new TER 1192 ALA A 79