USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 581 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 TYR OH : rot -72:sc= 0.638 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -123:sc= 0.0116 (180deg=0) USER MOD Set 2.2: A 51 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 3 ASN : amide:sc= 0.233 K(o=0.23,f=-1.6!) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 6 MET CE :methyl -178:sc= 0 (180deg=-0.00295) 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 -178:sc= 0 (180deg=-0.00069) USER MOD Single : A 42 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.44) USER MOD Single : A 52 GLN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 173:sc= 0 (180deg=-0.0138) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASN A 3 11.640 -29.963 -2.026 1.00 0.00 N ATOM 36 CA ASN A 3 10.325 -30.502 -2.440 1.00 0.00 C ATOM 37 C ASN A 3 9.182 -30.062 -1.480 1.00 0.00 C ATOM 38 O ASN A 3 8.302 -29.280 -1.849 1.00 0.00 O ATOM 39 CB ASN A 3 10.412 -32.024 -2.757 1.00 0.00 C ATOM 40 CG ASN A 3 10.934 -33.010 -1.687 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.391 -32.645 -0.605 1.00 0.00 O ATOM 42 ND2 ASN A 3 10.881 -34.294 -1.974 1.00 0.00 N ATOM 0 HA ASN A 3 10.038 -30.049 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.412 -32.353 -3.040 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.046 -32.136 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.218 -34.982 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.503 -34.601 -2.870 1.00 0.00 H new ATOM 49 N LEU A 4 9.254 -30.531 -0.232 1.00 0.00 N ATOM 50 CA LEU A 4 8.425 -30.032 0.905 1.00 0.00 C ATOM 51 C LEU A 4 8.661 -28.524 1.246 1.00 0.00 C ATOM 52 O LEU A 4 7.684 -27.788 1.383 1.00 0.00 O ATOM 53 CB LEU A 4 8.619 -31.010 2.104 1.00 0.00 C ATOM 54 CG LEU A 4 7.695 -30.911 3.354 1.00 0.00 C ATOM 55 CD1 LEU A 4 8.045 -29.751 4.306 1.00 0.00 C ATOM 56 CD2 LEU A 4 6.192 -30.905 3.015 1.00 0.00 C ATOM 0 H LEU A 4 9.894 -31.278 0.037 1.00 0.00 H new ATOM 0 HA LEU A 4 7.373 -30.036 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 4 8.526 -32.023 1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 4 9.646 -30.896 2.451 1.00 0.00 H new ATOM 0 HG LEU A 4 7.902 -31.835 3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.355 -29.752 5.150 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.065 -29.875 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.963 -28.804 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.612 -30.834 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.966 -30.051 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.933 -31.826 2.493 1.00 0.00 H new ATOM 68 N ASN A 5 9.923 -28.049 1.321 1.00 0.00 N ATOM 69 CA ASN A 5 10.242 -26.592 1.392 1.00 0.00 C ATOM 70 C ASN A 5 9.797 -25.718 0.162 1.00 0.00 C ATOM 71 O ASN A 5 9.459 -24.547 0.361 1.00 0.00 O ATOM 72 CB ASN A 5 11.754 -26.451 1.728 1.00 0.00 C ATOM 73 CG ASN A 5 12.198 -25.085 2.288 1.00 0.00 C ATOM 74 OD1 ASN A 5 11.409 -24.253 2.728 1.00 0.00 O ATOM 75 ND2 ASN A 5 13.490 -24.831 2.322 1.00 0.00 N ATOM 0 H ASN A 5 10.747 -28.651 1.334 1.00 0.00 H new ATOM 0 HA ASN A 5 9.627 -26.166 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.018 -27.221 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 5 12.327 -26.654 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.827 -23.950 2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 5 14.154 -25.515 1.959 1.00 0.00 H new ATOM 82 N MET A 6 9.723 -26.269 -1.071 1.00 0.00 N ATOM 83 CA MET A 6 8.972 -25.622 -2.191 1.00 0.00 C ATOM 84 C MET A 6 7.434 -25.478 -1.940 1.00 0.00 C ATOM 85 O MET A 6 6.905 -24.396 -2.192 1.00 0.00 O ATOM 86 CB MET A 6 9.227 -26.312 -3.557 1.00 0.00 C ATOM 87 CG MET A 6 10.673 -26.276 -4.090 1.00 0.00 C ATOM 88 SD MET A 6 10.726 -26.477 -5.890 1.00 0.00 S ATOM 89 CE MET A 6 9.969 -28.093 -6.164 1.00 0.00 C ATOM 0 H MET A 6 10.167 -27.152 -1.323 1.00 0.00 H new ATOM 0 HA MET A 6 9.379 -24.612 -2.228 1.00 0.00 H new ATOM 0 HB2 MET A 6 8.920 -27.355 -3.474 1.00 0.00 H new ATOM 0 HB3 MET A 6 8.579 -25.847 -4.300 1.00 0.00 H new ATOM 0 HG2 MET A 6 11.139 -25.330 -3.815 1.00 0.00 H new ATOM 0 HG3 MET A 6 11.255 -27.067 -3.618 1.00 0.00 H new ATOM 0 HE1 MET A 6 9.985 -28.327 -7.229 1.00 0.00 H new ATOM 0 HE2 MET A 6 10.527 -28.853 -5.617 1.00 0.00 H new ATOM 0 HE3 MET A 6 8.938 -28.076 -5.812 1.00 0.00 H new ATOM 99 N ASP A 7 6.744 -26.514 -1.409 1.00 0.00 N ATOM 100 CA ASP A 7 5.345 -26.405 -0.907 1.00 0.00 C ATOM 101 C ASP A 7 5.109 -25.400 0.272 1.00 0.00 C ATOM 102 O ASP A 7 4.056 -24.753 0.313 1.00 0.00 O ATOM 103 CB ASP A 7 4.775 -27.813 -0.576 1.00 0.00 C ATOM 104 CG ASP A 7 4.339 -28.619 -1.804 1.00 0.00 C ATOM 105 OD1 ASP A 7 5.007 -29.519 -2.306 1.00 0.00 O ATOM 106 OD2 ASP A 7 3.128 -28.199 -2.284 1.00 0.00 O ATOM 0 H ASP A 7 7.137 -27.451 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 7 4.791 -25.961 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.531 -28.380 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.921 -27.699 0.092 1.00 0.00 H new ATOM 112 N LEU A 8 6.085 -25.226 1.186 1.00 0.00 N ATOM 113 CA LEU A 8 6.083 -24.127 2.190 1.00 0.00 C ATOM 114 C LEU A 8 6.122 -22.687 1.575 1.00 0.00 C ATOM 115 O LEU A 8 5.270 -21.868 1.927 1.00 0.00 O ATOM 116 CB LEU A 8 7.204 -24.315 3.255 1.00 0.00 C ATOM 117 CG LEU A 8 7.156 -25.583 4.156 1.00 0.00 C ATOM 118 CD1 LEU A 8 8.407 -25.654 5.052 1.00 0.00 C ATOM 119 CD2 LEU A 8 5.893 -25.662 5.036 1.00 0.00 C ATOM 0 H LEU A 8 6.898 -25.838 1.254 1.00 0.00 H new ATOM 0 HA LEU A 8 5.116 -24.205 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.162 -24.312 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.193 -23.442 3.908 1.00 0.00 H new ATOM 0 HG LEU A 8 7.128 -26.434 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.358 -26.547 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.300 -25.696 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.450 -24.769 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.925 -26.570 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.852 -24.793 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.007 -25.679 4.401 1.00 0.00 H new ATOM 131 N LEU A 9 7.063 -22.388 0.651 1.00 0.00 N ATOM 132 CA LEU A 9 7.115 -21.088 -0.080 1.00 0.00 C ATOM 133 C LEU A 9 5.877 -20.793 -0.990 1.00 0.00 C ATOM 134 O LEU A 9 5.284 -19.719 -0.894 1.00 0.00 O ATOM 135 CB LEU A 9 8.452 -20.999 -0.874 1.00 0.00 C ATOM 136 CG LEU A 9 8.944 -19.559 -1.195 1.00 0.00 C ATOM 137 CD1 LEU A 9 9.490 -18.831 0.050 1.00 0.00 C ATOM 138 CD2 LEU A 9 10.026 -19.569 -2.289 1.00 0.00 C ATOM 0 H LEU A 9 7.807 -23.034 0.387 1.00 0.00 H new ATOM 0 HA LEU A 9 7.074 -20.303 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.228 -21.511 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.334 -21.542 -1.812 1.00 0.00 H new ATOM 0 HG LEU A 9 8.069 -19.016 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.820 -17.830 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.704 -18.757 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.332 -19.390 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.349 -18.548 -2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.878 -20.159 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.618 -20.007 -3.200 1.00 0.00 H new ATOM 150 N TYR A 10 5.493 -21.768 -1.830 1.00 0.00 N ATOM 151 CA TYR A 10 4.178 -21.874 -2.526 1.00 0.00 C ATOM 152 C TYR A 10 2.928 -21.360 -1.767 1.00 0.00 C ATOM 153 O TYR A 10 2.320 -20.365 -2.180 1.00 0.00 O ATOM 154 CB TYR A 10 4.101 -23.393 -2.918 1.00 0.00 C ATOM 155 CG TYR A 10 2.797 -24.011 -3.451 1.00 0.00 C ATOM 156 CD1 TYR A 10 2.357 -23.708 -4.737 1.00 0.00 C ATOM 157 CD2 TYR A 10 2.060 -24.908 -2.666 1.00 0.00 C ATOM 158 CE1 TYR A 10 1.189 -24.285 -5.235 1.00 0.00 C ATOM 159 CE2 TYR A 10 0.887 -25.472 -3.158 1.00 0.00 C ATOM 160 CZ TYR A 10 0.447 -25.152 -4.436 1.00 0.00 C ATOM 161 OH TYR A 10 -0.759 -25.630 -4.876 1.00 0.00 O ATOM 0 H TYR A 10 6.112 -22.545 -2.060 1.00 0.00 H new ATOM 0 HA TYR A 10 4.146 -21.194 -3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.868 -23.567 -3.673 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.387 -23.965 -2.035 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.923 -23.023 -5.351 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.404 -25.163 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.860 -24.060 -6.239 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.319 -26.158 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.422 -24.909 -4.860 1.00 0.00 H new ATOM 171 N MET A 11 2.551 -22.045 -0.672 1.00 0.00 N ATOM 172 CA MET A 11 1.332 -21.703 0.076 1.00 0.00 C ATOM 173 C MET A 11 1.456 -20.396 0.918 1.00 0.00 C ATOM 174 O MET A 11 0.514 -19.607 0.895 1.00 0.00 O ATOM 175 CB MET A 11 0.861 -22.945 0.875 1.00 0.00 C ATOM 176 CG MET A 11 -0.571 -22.840 1.429 1.00 0.00 C ATOM 177 SD MET A 11 -0.996 -24.369 2.283 1.00 0.00 S ATOM 178 CE MET A 11 -2.671 -23.974 2.821 1.00 0.00 C ATOM 0 H MET A 11 3.071 -22.834 -0.289 1.00 0.00 H new ATOM 0 HA MET A 11 0.546 -21.448 -0.635 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.925 -23.822 0.231 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.548 -23.109 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.647 -21.995 2.113 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.274 -22.657 0.617 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.086 -24.820 3.370 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.648 -23.097 3.468 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.293 -23.766 1.951 1.00 0.00 H new ATOM 188 N ALA A 12 2.604 -20.115 1.575 1.00 0.00 N ATOM 189 CA ALA A 12 2.962 -18.753 2.044 1.00 0.00 C ATOM 190 C ALA A 12 2.848 -17.581 1.013 1.00 0.00 C ATOM 191 O ALA A 12 2.398 -16.504 1.398 1.00 0.00 O ATOM 192 CB ALA A 12 4.376 -18.817 2.654 1.00 0.00 C ATOM 0 H ALA A 12 3.307 -20.821 1.795 1.00 0.00 H new ATOM 0 HA ALA A 12 2.199 -18.487 2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.665 -17.827 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.380 -19.516 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.084 -19.153 1.896 1.00 0.00 H new ATOM 198 N ALA A 13 3.196 -17.786 -0.276 1.00 0.00 N ATOM 199 CA ALA A 13 2.959 -16.815 -1.364 1.00 0.00 C ATOM 200 C ALA A 13 1.475 -16.528 -1.696 1.00 0.00 C ATOM 201 O ALA A 13 1.090 -15.365 -1.623 1.00 0.00 O ATOM 202 CB ALA A 13 3.767 -17.308 -2.575 1.00 0.00 C ATOM 0 H ALA A 13 3.654 -18.640 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 13 3.297 -15.833 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.626 -16.622 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.825 -17.349 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.425 -18.303 -2.860 1.00 0.00 H new ATOM 208 N ALA A 14 0.641 -17.537 -1.995 1.00 0.00 N ATOM 209 CA ALA A 14 -0.847 -17.365 -2.022 1.00 0.00 C ATOM 210 C ALA A 14 -1.553 -16.870 -0.714 1.00 0.00 C ATOM 211 O ALA A 14 -2.495 -16.080 -0.800 1.00 0.00 O ATOM 212 CB ALA A 14 -1.496 -18.655 -2.534 1.00 0.00 C ATOM 0 H ALA A 14 0.955 -18.480 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.003 -16.527 -2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.579 -18.534 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.135 -18.869 -3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.236 -19.481 -1.872 1.00 0.00 H new ATOM 218 N VAL A 15 -1.095 -17.269 0.485 1.00 0.00 N ATOM 219 CA VAL A 15 -1.511 -16.635 1.777 1.00 0.00 C ATOM 220 C VAL A 15 -1.150 -15.107 1.860 1.00 0.00 C ATOM 221 O VAL A 15 -2.030 -14.290 2.147 1.00 0.00 O ATOM 222 CB VAL A 15 -1.083 -17.504 3.006 1.00 0.00 C ATOM 223 CG1 VAL A 15 -1.272 -16.836 4.390 1.00 0.00 C ATOM 224 CG2 VAL A 15 -1.807 -18.874 3.068 1.00 0.00 C ATOM 0 H VAL A 15 -0.430 -18.034 0.601 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.600 -16.626 1.811 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.016 -17.632 2.822 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.946 -17.521 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.679 -15.923 4.437 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.325 -16.593 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.465 -19.427 3.943 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.883 -18.714 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.582 -19.445 2.167 1.00 0.00 H new ATOM 234 N MET A 16 0.104 -14.724 1.555 1.00 0.00 N ATOM 235 CA MET A 16 0.500 -13.307 1.314 1.00 0.00 C ATOM 236 C MET A 16 -0.266 -12.576 0.150 1.00 0.00 C ATOM 237 O MET A 16 -0.641 -11.418 0.327 1.00 0.00 O ATOM 238 CB MET A 16 2.046 -13.281 1.147 1.00 0.00 C ATOM 239 CG MET A 16 2.713 -11.924 1.429 1.00 0.00 C ATOM 240 SD MET A 16 2.582 -11.483 3.176 1.00 0.00 S ATOM 241 CE MET A 16 3.951 -12.411 3.898 1.00 0.00 C ATOM 0 H MET A 16 0.878 -15.382 1.467 1.00 0.00 H new ATOM 0 HA MET A 16 0.196 -12.716 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.480 -14.026 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.290 -13.583 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.763 -11.965 1.139 1.00 0.00 H new ATOM 0 HG3 MET A 16 2.244 -11.151 0.820 1.00 0.00 H new ATOM 0 HE1 MET A 16 3.986 -12.230 4.972 1.00 0.00 H new ATOM 0 HE2 MET A 16 3.806 -13.475 3.714 1.00 0.00 H new ATOM 0 HE3 MET A 16 4.888 -12.088 3.445 1.00 0.00 H new ATOM 251 N MET A 17 -0.559 -13.240 -0.991 1.00 0.00 N ATOM 252 CA MET A 17 -1.530 -12.745 -2.025 1.00 0.00 C ATOM 253 C MET A 17 -3.008 -12.478 -1.563 1.00 0.00 C ATOM 254 O MET A 17 -3.661 -11.605 -2.139 1.00 0.00 O ATOM 255 CB MET A 17 -1.414 -13.616 -3.322 1.00 0.00 C ATOM 256 CG MET A 17 -2.582 -14.517 -3.779 1.00 0.00 C ATOM 257 SD MET A 17 -3.866 -13.544 -4.579 1.00 0.00 S ATOM 258 CE MET A 17 -5.169 -14.779 -4.728 1.00 0.00 C ATOM 0 H MET A 17 -0.135 -14.136 -1.232 1.00 0.00 H new ATOM 0 HA MET A 17 -1.216 -11.725 -2.245 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.194 -12.936 -4.145 1.00 0.00 H new ATOM 0 HB3 MET A 17 -0.543 -14.260 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.213 -15.277 -4.468 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.000 -15.042 -2.920 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.027 -14.343 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.800 -15.630 -5.300 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.469 -15.113 -3.735 1.00 0.00 H new ATOM 268 N GLY A 18 -3.530 -13.212 -0.561 1.00 0.00 N ATOM 269 CA GLY A 18 -4.842 -12.900 0.077 1.00 0.00 C ATOM 270 C GLY A 18 -4.872 -11.766 1.131 1.00 0.00 C ATOM 271 O GLY A 18 -5.875 -11.056 1.218 1.00 0.00 O ATOM 0 H GLY A 18 -3.067 -14.031 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.548 -12.644 -0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.210 -13.810 0.551 1.00 0.00 H new ATOM 275 N LEU A 19 -3.783 -11.584 1.901 1.00 0.00 N ATOM 276 CA LEU A 19 -3.531 -10.391 2.769 1.00 0.00 C ATOM 277 C LEU A 19 -4.010 -8.972 2.256 1.00 0.00 C ATOM 278 O LEU A 19 -4.714 -8.337 3.045 1.00 0.00 O ATOM 279 CB LEU A 19 -2.032 -10.455 3.189 1.00 0.00 C ATOM 280 CG LEU A 19 -1.590 -9.618 4.426 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.299 -10.197 5.035 1.00 0.00 C ATOM 282 CD2 LEU A 19 -1.354 -8.124 4.116 1.00 0.00 C ATOM 0 H LEU A 19 -3.030 -12.271 1.946 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.197 -10.470 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.783 -11.498 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.431 -10.137 2.337 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.420 -9.682 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.004 -9.600 5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.474 -11.226 5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.496 -10.175 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.049 -7.607 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.571 -8.028 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.276 -7.681 3.739 1.00 0.00 H new ATOM 294 N PRO A 20 -3.741 -8.438 1.019 1.00 0.00 N ATOM 295 CA PRO A 20 -4.422 -7.221 0.472 1.00 0.00 C ATOM 296 C PRO A 20 -5.975 -7.068 0.554 1.00 0.00 C ATOM 297 O PRO A 20 -6.440 -5.931 0.664 1.00 0.00 O ATOM 298 CB PRO A 20 -3.938 -7.183 -0.982 1.00 0.00 C ATOM 299 CG PRO A 20 -3.338 -8.545 -1.294 1.00 0.00 C ATOM 300 CD PRO A 20 -2.796 -9.022 0.047 1.00 0.00 C ATOM 0 HA PRO A 20 -4.151 -6.384 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.765 -6.964 -1.657 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.197 -6.396 -1.120 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.088 -9.231 -1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.548 -8.472 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.775 -10.110 0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.777 -8.674 0.217 1.00 0.00 H new ATOM 308 N ALA A 21 -6.767 -8.163 0.531 1.00 0.00 N ATOM 309 CA ALA A 21 -8.221 -8.105 0.863 1.00 0.00 C ATOM 310 C ALA A 21 -8.609 -7.548 2.275 1.00 0.00 C ATOM 311 O ALA A 21 -9.651 -6.901 2.404 1.00 0.00 O ATOM 312 CB ALA A 21 -8.818 -9.505 0.631 1.00 0.00 C ATOM 0 H ALA A 21 -6.433 -9.096 0.288 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.649 -7.357 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.882 -9.490 0.867 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.681 -9.791 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.314 -10.227 1.274 1.00 0.00 H new ATOM 318 N ILE A 22 -7.766 -7.757 3.304 1.00 0.00 N ATOM 319 CA ILE A 22 -7.813 -6.987 4.586 1.00 0.00 C ATOM 320 C ILE A 22 -6.983 -5.655 4.448 1.00 0.00 C ATOM 321 O ILE A 22 -7.530 -4.580 4.703 1.00 0.00 O ATOM 322 CB ILE A 22 -7.389 -7.907 5.796 1.00 0.00 C ATOM 323 CG1 ILE A 22 -8.300 -9.167 5.966 1.00 0.00 C ATOM 324 CG2 ILE A 22 -7.344 -7.131 7.140 1.00 0.00 C ATOM 325 CD1 ILE A 22 -7.730 -10.284 6.858 1.00 0.00 C ATOM 0 H ILE A 22 -7.029 -8.462 3.281 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.834 -6.676 4.805 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.384 -8.246 5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.257 -8.848 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.503 -9.583 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.047 -7.808 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.622 -6.317 7.066 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.331 -6.722 7.357 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.441 -11.109 6.907 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.789 -10.641 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.555 -9.895 7.861 1.00 0.00 H new ATOM 337 N GLY A 23 -5.682 -5.724 4.083 1.00 0.00 N ATOM 338 CA GLY A 23 -4.743 -4.570 4.138 1.00 0.00 C ATOM 339 C GLY A 23 -5.046 -3.337 3.259 1.00 0.00 C ATOM 340 O GLY A 23 -5.286 -2.256 3.799 1.00 0.00 O ATOM 0 H GLY A 23 -5.249 -6.582 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.689 -4.235 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.752 -4.935 3.869 1.00 0.00 H new ATOM 344 N ALA A 24 -5.036 -3.491 1.923 1.00 0.00 N ATOM 345 CA ALA A 24 -5.432 -2.401 0.985 1.00 0.00 C ATOM 346 C ALA A 24 -6.934 -1.976 0.924 1.00 0.00 C ATOM 347 O ALA A 24 -7.232 -0.851 0.509 1.00 0.00 O ATOM 348 CB ALA A 24 -4.939 -2.780 -0.415 1.00 0.00 C ATOM 0 H ALA A 24 -4.759 -4.356 1.459 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.959 -1.508 1.395 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.216 -1.998 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.855 -2.890 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.395 -3.722 -0.719 1.00 0.00 H new ATOM 354 N ALA A 25 -7.855 -2.844 1.369 1.00 0.00 N ATOM 355 CA ALA A 25 -9.271 -2.469 1.655 1.00 0.00 C ATOM 356 C ALA A 25 -9.459 -1.482 2.854 1.00 0.00 C ATOM 357 O ALA A 25 -10.127 -0.455 2.698 1.00 0.00 O ATOM 358 CB ALA A 25 -10.082 -3.763 1.843 1.00 0.00 C ATOM 0 H ALA A 25 -7.651 -3.828 1.544 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.641 -1.903 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.122 -3.513 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.029 -4.361 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.670 -4.333 2.676 1.00 0.00 H new ATOM 364 N ILE A 26 -8.802 -1.744 4.006 1.00 0.00 N ATOM 365 CA ILE A 26 -8.525 -0.709 5.058 1.00 0.00 C ATOM 366 C ILE A 26 -7.707 0.531 4.521 1.00 0.00 C ATOM 367 O ILE A 26 -7.958 1.648 4.982 1.00 0.00 O ATOM 368 CB ILE A 26 -7.893 -1.399 6.330 1.00 0.00 C ATOM 369 CG1 ILE A 26 -8.836 -2.463 6.985 1.00 0.00 C ATOM 370 CG2 ILE A 26 -7.451 -0.398 7.436 1.00 0.00 C ATOM 371 CD1 ILE A 26 -8.159 -3.442 7.961 1.00 0.00 C ATOM 0 H ILE A 26 -8.446 -2.670 4.243 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.474 -0.268 5.362 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.007 -1.893 5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.631 -1.939 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.310 -3.040 6.191 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.027 -0.948 8.276 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.701 0.282 7.032 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.315 0.174 7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.902 -4.134 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.385 -4.002 7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.710 -2.884 8.783 1.00 0.00 H new ATOM 383 N GLY A 27 -6.788 0.358 3.541 1.00 0.00 N ATOM 384 CA GLY A 27 -6.155 1.476 2.797 1.00 0.00 C ATOM 385 C GLY A 27 -7.122 2.492 2.160 1.00 0.00 C ATOM 386 O GLY A 27 -7.177 3.631 2.628 1.00 0.00 O ATOM 0 H GLY A 27 -6.464 -0.562 3.243 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.493 2.011 3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.530 1.055 2.009 1.00 0.00 H new ATOM 390 N ILE A 28 -7.942 2.071 1.175 1.00 0.00 N ATOM 391 CA ILE A 28 -9.039 2.927 0.610 1.00 0.00 C ATOM 392 C ILE A 28 -9.989 3.508 1.721 1.00 0.00 C ATOM 393 O ILE A 28 -9.935 4.712 1.986 1.00 0.00 O ATOM 394 CB ILE A 28 -9.813 2.211 -0.562 1.00 0.00 C ATOM 395 CG1 ILE A 28 -8.923 1.672 -1.717 1.00 0.00 C ATOM 396 CG2 ILE A 28 -10.956 3.067 -1.176 1.00 0.00 C ATOM 397 CD1 ILE A 28 -7.995 2.696 -2.390 1.00 0.00 C ATOM 0 H ILE A 28 -7.876 1.148 0.746 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.556 3.795 0.161 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.242 1.351 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -8.311 0.858 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.573 1.245 -2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.441 2.507 -1.975 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.688 3.304 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.542 3.991 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.424 2.206 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.592 3.501 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.310 3.108 -1.649 1.00 0.00 H new ATOM 409 N GLY A 29 -10.812 2.662 2.371 1.00 0.00 N ATOM 410 CA GLY A 29 -11.869 3.118 3.315 1.00 0.00 C ATOM 411 C GLY A 29 -11.450 3.937 4.556 1.00 0.00 C ATOM 412 O GLY A 29 -11.980 5.030 4.774 1.00 0.00 O ATOM 0 H GLY A 29 -10.769 1.649 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.582 3.717 2.749 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.402 2.235 3.666 1.00 0.00 H new ATOM 416 N ILE A 30 -10.523 3.406 5.367 1.00 0.00 N ATOM 417 CA ILE A 30 -10.033 4.081 6.607 1.00 0.00 C ATOM 418 C ILE A 30 -8.910 5.115 6.287 1.00 0.00 C ATOM 419 O ILE A 30 -8.988 6.215 6.843 1.00 0.00 O ATOM 420 CB ILE A 30 -9.691 3.022 7.725 1.00 0.00 C ATOM 421 CG1 ILE A 30 -10.925 2.297 8.352 1.00 0.00 C ATOM 422 CG2 ILE A 30 -8.884 3.605 8.919 1.00 0.00 C ATOM 423 CD1 ILE A 30 -11.715 1.339 7.445 1.00 0.00 C ATOM 0 H ILE A 30 -10.085 2.501 5.195 1.00 0.00 H new ATOM 0 HA ILE A 30 -10.833 4.685 7.035 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.093 2.307 7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.581 1.734 9.219 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.613 3.058 8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.688 2.816 9.645 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.938 4.008 8.557 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.459 4.400 9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -12.543 0.906 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.106 1.888 6.588 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -11.057 0.543 7.096 1.00 0.00 H new ATOM 435 N LEU A 31 -7.888 4.827 5.447 1.00 0.00 N ATOM 436 CA LEU A 31 -6.845 5.841 5.110 1.00 0.00 C ATOM 437 C LEU A 31 -7.371 6.929 4.115 1.00 0.00 C ATOM 438 O LEU A 31 -7.109 8.103 4.365 1.00 0.00 O ATOM 439 CB LEU A 31 -5.453 5.216 4.784 1.00 0.00 C ATOM 440 CG LEU A 31 -4.957 4.080 5.734 1.00 0.00 C ATOM 441 CD1 LEU A 31 -3.644 3.433 5.262 1.00 0.00 C ATOM 442 CD2 LEU A 31 -4.792 4.539 7.199 1.00 0.00 C ATOM 0 H LEU A 31 -7.759 3.922 4.995 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.636 6.406 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.486 4.821 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.711 6.014 4.791 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.751 3.334 5.693 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.351 2.651 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.788 2.998 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.861 4.190 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.445 3.702 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.064 5.348 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.751 4.891 7.580 1.00 0.00 H new ATOM 454 N GLY A 32 -8.202 6.627 3.090 1.00 0.00 N ATOM 455 CA GLY A 32 -9.016 7.672 2.403 1.00 0.00 C ATOM 456 C GLY A 32 -10.060 8.464 3.236 1.00 0.00 C ATOM 457 O GLY A 32 -10.180 9.673 3.031 1.00 0.00 O ATOM 0 H GLY A 32 -8.330 5.685 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.327 8.393 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.544 7.192 1.579 1.00 0.00 H new ATOM 461 N GLY A 33 -10.768 7.825 4.190 1.00 0.00 N ATOM 462 CA GLY A 33 -11.558 8.549 5.230 1.00 0.00 C ATOM 463 C GLY A 33 -10.776 9.535 6.140 1.00 0.00 C ATOM 464 O GLY A 33 -11.138 10.712 6.223 1.00 0.00 O ATOM 0 H GLY A 33 -10.814 6.809 4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.351 9.104 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.041 7.808 5.867 1.00 0.00 H new ATOM 468 N LYS A 34 -9.679 9.066 6.762 1.00 0.00 N ATOM 469 CA LYS A 34 -8.641 9.937 7.395 1.00 0.00 C ATOM 470 C LYS A 34 -8.064 11.102 6.507 1.00 0.00 C ATOM 471 O LYS A 34 -7.970 12.236 6.982 1.00 0.00 O ATOM 472 CB LYS A 34 -7.542 8.969 7.916 1.00 0.00 C ATOM 473 CG LYS A 34 -6.444 9.606 8.792 1.00 0.00 C ATOM 474 CD LYS A 34 -5.334 8.600 9.172 1.00 0.00 C ATOM 475 CE LYS A 34 -4.177 9.196 9.996 1.00 0.00 C ATOM 476 NZ LYS A 34 -3.315 10.099 9.206 1.00 0.00 N ATOM 0 H LYS A 34 -9.476 8.070 6.846 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.108 10.509 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.024 8.178 8.490 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.066 8.495 7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.001 10.447 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.895 10.006 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.782 7.783 9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.926 8.168 8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.586 9.743 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.571 8.386 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.332 9.761 9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.640 10.113 8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.365 11.060 9.600 1.00 0.00 H new ATOM 489 N PHE A 35 -7.714 10.836 5.230 1.00 0.00 N ATOM 490 CA PHE A 35 -7.363 11.868 4.217 1.00 0.00 C ATOM 491 C PHE A 35 -8.448 12.976 4.014 1.00 0.00 C ATOM 492 O PHE A 35 -8.100 14.157 4.004 1.00 0.00 O ATOM 493 CB PHE A 35 -6.893 11.144 2.904 1.00 0.00 C ATOM 494 CG PHE A 35 -7.104 11.874 1.560 1.00 0.00 C ATOM 495 CD1 PHE A 35 -6.291 12.954 1.212 1.00 0.00 C ATOM 496 CD2 PHE A 35 -8.189 11.540 0.739 1.00 0.00 C ATOM 497 CE1 PHE A 35 -6.543 13.675 0.045 1.00 0.00 C ATOM 498 CE2 PHE A 35 -8.437 12.260 -0.427 1.00 0.00 C ATOM 499 CZ PHE A 35 -7.611 13.325 -0.774 1.00 0.00 C ATOM 0 H PHE A 35 -7.665 9.885 4.863 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.528 12.458 4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.829 10.928 3.004 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -7.409 10.185 2.848 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.464 13.232 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.837 10.720 1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.908 14.506 -0.223 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.269 11.992 -1.061 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.800 13.881 -1.681 1.00 0.00 H new ATOM 509 N LEU A 36 -9.723 12.597 3.828 1.00 0.00 N ATOM 510 CA LEU A 36 -10.842 13.557 3.669 1.00 0.00 C ATOM 511 C LEU A 36 -11.188 14.433 4.917 1.00 0.00 C ATOM 512 O LEU A 36 -11.503 15.613 4.747 1.00 0.00 O ATOM 513 CB LEU A 36 -12.060 12.789 3.078 1.00 0.00 C ATOM 514 CG LEU A 36 -12.875 13.598 2.037 1.00 0.00 C ATOM 515 CD1 LEU A 36 -12.106 13.699 0.702 1.00 0.00 C ATOM 516 CD2 LEU A 36 -14.260 12.968 1.800 1.00 0.00 C ATOM 0 H LEU A 36 -10.013 11.620 3.783 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.511 14.327 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.705 11.871 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.722 12.496 3.893 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.019 14.601 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.695 14.271 -0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.152 14.199 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.927 12.698 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -14.807 13.558 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.138 11.950 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.816 12.949 2.737 1.00 0.00 H new ATOM 528 N GLU A 37 -11.038 13.917 6.155 1.00 0.00 N ATOM 529 CA GLU A 37 -10.838 14.738 7.374 1.00 0.00 C ATOM 530 C GLU A 37 -9.661 15.780 7.318 1.00 0.00 C ATOM 531 O GLU A 37 -9.853 16.934 7.711 1.00 0.00 O ATOM 532 CB GLU A 37 -10.683 13.708 8.533 1.00 0.00 C ATOM 533 CG GLU A 37 -11.264 14.148 9.882 1.00 0.00 C ATOM 534 CD GLU A 37 -10.491 15.250 10.613 1.00 0.00 C ATOM 535 OE1 GLU A 37 -9.429 15.062 11.203 1.00 0.00 O ATOM 536 OE2 GLU A 37 -11.113 16.464 10.524 1.00 0.00 O ATOM 0 H GLU A 37 -11.052 12.914 6.341 1.00 0.00 H new ATOM 0 HA GLU A 37 -11.693 15.400 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.164 12.776 8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.623 13.492 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.286 14.492 9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.320 13.276 10.534 1.00 0.00 H new ATOM 544 N GLY A 38 -8.482 15.394 6.783 1.00 0.00 N ATOM 545 CA GLY A 38 -7.410 16.348 6.390 1.00 0.00 C ATOM 546 C GLY A 38 -7.764 17.430 5.339 1.00 0.00 C ATOM 547 O GLY A 38 -7.442 18.596 5.562 1.00 0.00 O ATOM 0 H GLY A 38 -8.243 14.418 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.064 16.855 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.569 15.770 6.007 1.00 0.00 H new ATOM 551 N ALA A 39 -8.442 17.073 4.228 1.00 0.00 N ATOM 552 CA ALA A 39 -9.015 18.059 3.267 1.00 0.00 C ATOM 553 C ALA A 39 -10.094 19.042 3.825 1.00 0.00 C ATOM 554 O ALA A 39 -10.061 20.227 3.480 1.00 0.00 O ATOM 555 CB ALA A 39 -9.536 17.271 2.049 1.00 0.00 C ATOM 0 H ALA A 39 -8.611 16.102 3.966 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.207 18.741 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.963 17.963 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.712 16.726 1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.302 16.566 2.372 1.00 0.00 H new ATOM 561 N ALA A 40 -11.005 18.578 4.707 1.00 0.00 N ATOM 562 CA ALA A 40 -11.895 19.468 5.505 1.00 0.00 C ATOM 563 C ALA A 40 -11.179 20.469 6.475 1.00 0.00 C ATOM 564 O ALA A 40 -11.571 21.637 6.538 1.00 0.00 O ATOM 565 CB ALA A 40 -12.894 18.563 6.253 1.00 0.00 C ATOM 0 H ALA A 40 -11.149 17.585 4.890 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.394 20.139 4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.566 19.179 6.851 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.475 17.988 5.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.349 17.881 6.906 1.00 0.00 H new ATOM 571 N ARG A 41 -10.119 20.032 7.184 1.00 0.00 N ATOM 572 CA ARG A 41 -9.186 20.921 7.930 1.00 0.00 C ATOM 573 C ARG A 41 -8.422 21.959 7.037 1.00 0.00 C ATOM 574 O ARG A 41 -8.582 23.167 7.228 1.00 0.00 O ATOM 575 CB ARG A 41 -8.289 19.942 8.743 1.00 0.00 C ATOM 576 CG ARG A 41 -7.144 20.552 9.580 1.00 0.00 C ATOM 577 CD ARG A 41 -6.307 19.445 10.243 1.00 0.00 C ATOM 578 NE ARG A 41 -5.074 20.010 10.840 1.00 0.00 N ATOM 579 CZ ARG A 41 -4.034 19.290 11.283 1.00 0.00 C ATOM 580 NH1 ARG A 41 -3.982 17.970 11.261 1.00 0.00 N ATOM 581 NH2 ARG A 41 -3.008 19.939 11.768 1.00 0.00 N ATOM 0 H ARG A 41 -9.878 19.044 7.260 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.715 21.604 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.933 19.376 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.852 19.228 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.507 21.164 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.556 21.210 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.896 18.949 11.014 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.046 18.687 9.504 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.012 21.025 10.920 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.767 17.435 10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.157 17.486 11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.018 20.958 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.198 19.426 12.115 1.00 0.00 H new ATOM 594 N GLN A 42 -7.593 21.482 6.096 1.00 0.00 N ATOM 595 CA GLN A 42 -6.785 22.325 5.185 1.00 0.00 C ATOM 596 C GLN A 42 -6.569 21.532 3.852 1.00 0.00 C ATOM 597 O GLN A 42 -5.931 20.474 3.897 1.00 0.00 O ATOM 598 CB GLN A 42 -5.407 22.703 5.817 1.00 0.00 C ATOM 599 CG GLN A 42 -5.375 23.942 6.742 1.00 0.00 C ATOM 600 CD GLN A 42 -5.658 25.279 6.037 1.00 0.00 C ATOM 601 OE1 GLN A 42 -4.825 25.817 5.312 1.00 0.00 O ATOM 602 NE2 GLN A 42 -6.837 25.840 6.221 1.00 0.00 N ATOM 0 H GLN A 42 -7.459 20.483 5.940 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.316 23.258 4.997 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.049 21.846 6.387 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.696 22.867 5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.108 23.804 7.537 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.396 23.998 7.218 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.527 25.391 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.059 26.723 5.761 1.00 0.00 H new ATOM 611 N PRO A 43 -6.985 21.999 2.638 1.00 0.00 N ATOM 612 CA PRO A 43 -6.569 21.368 1.348 1.00 0.00 C ATOM 613 C PRO A 43 -5.065 21.489 0.908 1.00 0.00 C ATOM 614 O PRO A 43 -4.631 20.745 0.026 1.00 0.00 O ATOM 615 CB PRO A 43 -7.571 21.988 0.356 1.00 0.00 C ATOM 616 CG PRO A 43 -7.961 23.342 0.954 1.00 0.00 C ATOM 617 CD PRO A 43 -7.907 23.136 2.469 1.00 0.00 C ATOM 0 HA PRO A 43 -6.603 20.281 1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.122 22.110 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.445 21.349 0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.273 24.126 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.958 23.643 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.542 24.026 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.893 22.915 2.878 1.00 0.00 H new ATOM 625 N ASP A 44 -4.282 22.375 1.545 1.00 0.00 N ATOM 626 CA ASP A 44 -2.803 22.498 1.360 1.00 0.00 C ATOM 627 C ASP A 44 -1.919 21.764 2.441 1.00 0.00 C ATOM 628 O ASP A 44 -0.819 22.223 2.762 1.00 0.00 O ATOM 629 CB ASP A 44 -2.502 24.028 1.255 1.00 0.00 C ATOM 630 CG ASP A 44 -2.713 24.885 2.521 1.00 0.00 C ATOM 631 OD1 ASP A 44 -1.797 25.269 3.243 1.00 0.00 O ATOM 632 OD2 ASP A 44 -4.035 25.147 2.762 1.00 0.00 O ATOM 0 H ASP A 44 -4.654 23.045 2.219 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.514 21.970 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.466 24.146 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.127 24.440 0.462 1.00 0.00 H new ATOM 638 N LEU A 45 -2.382 20.634 3.010 1.00 0.00 N ATOM 639 CA LEU A 45 -1.859 20.106 4.302 1.00 0.00 C ATOM 640 C LEU A 45 -0.742 19.025 4.140 1.00 0.00 C ATOM 641 O LEU A 45 -0.775 18.181 3.239 1.00 0.00 O ATOM 642 CB LEU A 45 -3.113 19.665 5.106 1.00 0.00 C ATOM 643 CG LEU A 45 -2.942 19.135 6.550 1.00 0.00 C ATOM 644 CD1 LEU A 45 -2.415 20.202 7.530 1.00 0.00 C ATOM 645 CD2 LEU A 45 -4.276 18.573 7.072 1.00 0.00 C ATOM 0 H LEU A 45 -3.120 20.062 2.600 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.315 20.869 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.791 20.518 5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.615 18.888 4.529 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.192 18.345 6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.318 19.766 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.441 20.557 7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.113 21.038 7.567 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.142 18.203 8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.029 19.361 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.603 17.756 6.429 1.00 0.00 H new ATOM 657 N ILE A 46 0.236 19.040 5.069 1.00 0.00 N ATOM 658 CA ILE A 46 1.338 18.027 5.139 1.00 0.00 C ATOM 659 C ILE A 46 0.781 16.608 5.552 1.00 0.00 C ATOM 660 O ILE A 46 0.957 15.703 4.730 1.00 0.00 O ATOM 661 CB ILE A 46 2.574 18.557 5.960 1.00 0.00 C ATOM 662 CG1 ILE A 46 3.206 19.848 5.347 1.00 0.00 C ATOM 663 CG2 ILE A 46 3.682 17.480 6.127 1.00 0.00 C ATOM 664 CD1 ILE A 46 4.137 20.640 6.281 1.00 0.00 C ATOM 0 H ILE A 46 0.294 19.751 5.798 1.00 0.00 H new ATOM 0 HA ILE A 46 1.750 17.873 4.142 1.00 0.00 H new ATOM 0 HB ILE A 46 2.169 18.804 6.941 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.767 19.568 4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.400 20.507 5.023 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.511 17.896 6.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.274 16.617 6.654 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.039 17.170 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.520 21.515 5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.582 20.960 7.163 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.970 20.007 6.587 1.00 0.00 H new ATOM 676 N PRO A 47 0.075 16.343 6.698 1.00 0.00 N ATOM 677 CA PRO A 47 -0.673 15.069 6.907 1.00 0.00 C ATOM 678 C PRO A 47 -1.786 14.657 5.878 1.00 0.00 C ATOM 679 O PRO A 47 -2.090 13.465 5.788 1.00 0.00 O ATOM 680 CB PRO A 47 -1.162 15.172 8.366 1.00 0.00 C ATOM 681 CG PRO A 47 -1.063 16.648 8.751 1.00 0.00 C ATOM 682 CD PRO A 47 0.064 17.217 7.886 1.00 0.00 C ATOM 0 HA PRO A 47 -0.005 14.230 6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.188 14.815 8.458 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.550 14.557 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -2.003 17.167 8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.841 16.764 9.812 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.125 18.256 7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 47 1.020 17.193 8.409 1.00 0.00 H new ATOM 690 N LEU A 48 -2.333 15.581 5.056 1.00 0.00 N ATOM 691 CA LEU A 48 -3.072 15.229 3.804 1.00 0.00 C ATOM 692 C LEU A 48 -2.175 14.555 2.724 1.00 0.00 C ATOM 693 O LEU A 48 -2.520 13.459 2.277 1.00 0.00 O ATOM 694 CB LEU A 48 -3.809 16.504 3.308 1.00 0.00 C ATOM 695 CG LEU A 48 -4.732 16.467 2.058 1.00 0.00 C ATOM 696 CD1 LEU A 48 -5.531 17.779 1.996 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.993 16.322 0.709 1.00 0.00 C ATOM 0 H LEU A 48 -2.280 16.584 5.232 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.810 14.457 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.414 16.865 4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.046 17.259 3.118 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.356 15.582 2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.183 17.767 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.134 17.881 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.843 18.621 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.719 16.306 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.315 17.165 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.423 15.393 0.705 1.00 0.00 H new ATOM 709 N LEU A 49 -1.045 15.172 2.322 1.00 0.00 N ATOM 710 CA LEU A 49 -0.038 14.522 1.423 1.00 0.00 C ATOM 711 C LEU A 49 0.590 13.186 1.934 1.00 0.00 C ATOM 712 O LEU A 49 0.793 12.280 1.119 1.00 0.00 O ATOM 713 CB LEU A 49 1.059 15.554 1.033 1.00 0.00 C ATOM 714 CG LEU A 49 0.609 16.798 0.213 1.00 0.00 C ATOM 715 CD1 LEU A 49 1.747 17.831 0.135 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.130 16.435 -1.207 1.00 0.00 C ATOM 0 H LEU A 49 -0.796 16.121 2.600 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.603 14.208 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.531 15.907 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.825 15.032 0.460 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.242 17.229 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.416 18.694 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.019 18.149 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.614 17.382 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.171 17.341 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.941 15.952 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.719 15.754 -1.142 1.00 0.00 H new ATOM 728 N ARG A 50 0.801 13.028 3.255 1.00 0.00 N ATOM 729 CA ARG A 50 1.025 11.693 3.883 1.00 0.00 C ATOM 730 C ARG A 50 -0.119 10.666 3.663 1.00 0.00 C ATOM 731 O ARG A 50 0.164 9.516 3.329 1.00 0.00 O ATOM 732 CB ARG A 50 1.235 11.840 5.416 1.00 0.00 C ATOM 733 CG ARG A 50 2.553 12.514 5.876 1.00 0.00 C ATOM 734 CD ARG A 50 3.802 11.599 5.942 1.00 0.00 C ATOM 735 NE ARG A 50 4.252 11.020 4.647 1.00 0.00 N ATOM 736 CZ ARG A 50 4.924 11.672 3.688 1.00 0.00 C ATOM 737 NH1 ARG A 50 5.293 12.937 3.771 1.00 0.00 N ATOM 738 NH2 ARG A 50 5.228 11.012 2.601 1.00 0.00 N ATOM 0 H ARG A 50 0.823 13.804 3.916 1.00 0.00 H new ATOM 0 HA ARG A 50 1.913 11.306 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.401 12.413 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.186 10.847 5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.769 13.341 5.200 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.391 12.945 6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.626 12.172 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.593 10.781 6.631 1.00 0.00 H new ATOM 0 HE ARG A 50 4.029 10.040 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.068 13.480 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.803 13.371 3.002 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.954 10.034 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.739 11.475 1.849 1.00 0.00 H new ATOM 751 N THR A 51 -1.382 11.063 3.890 1.00 0.00 N ATOM 752 CA THR A 51 -2.528 10.125 3.874 1.00 0.00 C ATOM 753 C THR A 51 -3.055 9.779 2.440 1.00 0.00 C ATOM 754 O THR A 51 -3.420 8.622 2.235 1.00 0.00 O ATOM 755 CB THR A 51 -3.611 10.548 4.909 1.00 0.00 C ATOM 756 OG1 THR A 51 -3.049 11.015 6.136 1.00 0.00 O ATOM 757 CG2 THR A 51 -4.489 9.363 5.313 1.00 0.00 C ATOM 0 H THR A 51 -1.641 12.030 4.088 1.00 0.00 H new ATOM 0 HA THR A 51 -2.162 9.156 4.214 1.00 0.00 H new ATOM 0 HB THR A 51 -4.174 11.335 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 51 -2.678 11.913 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.235 9.693 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.990 8.964 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.869 8.586 5.760 1.00 0.00 H new ATOM 765 N GLN A 52 -3.034 10.683 1.429 1.00 0.00 N ATOM 766 CA GLN A 52 -3.099 10.285 -0.010 1.00 0.00 C ATOM 767 C GLN A 52 -1.924 9.408 -0.548 1.00 0.00 C ATOM 768 O GLN A 52 -2.175 8.436 -1.271 1.00 0.00 O ATOM 769 CB GLN A 52 -3.511 11.445 -0.952 1.00 0.00 C ATOM 770 CG GLN A 52 -2.539 12.634 -1.123 1.00 0.00 C ATOM 771 CD GLN A 52 -1.475 12.483 -2.223 1.00 0.00 C ATOM 772 OE1 GLN A 52 -1.789 12.351 -3.403 1.00 0.00 O ATOM 773 NE2 GLN A 52 -0.201 12.523 -1.891 1.00 0.00 N ATOM 0 H GLN A 52 -2.973 11.690 1.577 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.927 9.577 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.694 11.021 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.461 11.842 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.125 13.529 -1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.030 12.801 -0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.068 12.632 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.517 12.445 -2.612 1.00 0.00 H new ATOM 782 N PHE A 53 -0.673 9.672 -0.115 1.00 0.00 N ATOM 783 CA PHE A 53 0.424 8.655 -0.167 1.00 0.00 C ATOM 784 C PHE A 53 0.065 7.260 0.469 1.00 0.00 C ATOM 785 O PHE A 53 0.334 6.236 -0.160 1.00 0.00 O ATOM 786 CB PHE A 53 1.731 9.312 0.368 1.00 0.00 C ATOM 787 CG PHE A 53 2.952 8.393 0.561 1.00 0.00 C ATOM 788 CD1 PHE A 53 3.669 7.914 -0.540 1.00 0.00 C ATOM 789 CD2 PHE A 53 3.324 7.995 1.851 1.00 0.00 C ATOM 790 CE1 PHE A 53 4.742 7.043 -0.352 1.00 0.00 C ATOM 791 CE2 PHE A 53 4.396 7.127 2.036 1.00 0.00 C ATOM 792 CZ PHE A 53 5.104 6.651 0.935 1.00 0.00 C ATOM 0 H PHE A 53 -0.389 10.571 0.274 1.00 0.00 H new ATOM 0 HA PHE A 53 0.586 8.369 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.014 10.110 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.506 9.781 1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.391 8.219 -1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.777 8.363 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.292 6.672 -1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.679 6.823 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.935 5.977 1.079 1.00 0.00 H new ATOM 802 N PHE A 54 -0.574 7.212 1.653 1.00 0.00 N ATOM 803 CA PHE A 54 -1.083 5.967 2.273 1.00 0.00 C ATOM 804 C PHE A 54 -2.269 5.242 1.543 1.00 0.00 C ATOM 805 O PHE A 54 -2.339 4.013 1.602 1.00 0.00 O ATOM 806 CB PHE A 54 -1.432 6.259 3.756 1.00 0.00 C ATOM 807 CG PHE A 54 -0.352 6.754 4.756 1.00 0.00 C ATOM 808 CD1 PHE A 54 1.026 6.597 4.541 1.00 0.00 C ATOM 809 CD2 PHE A 54 -0.784 7.409 5.915 1.00 0.00 C ATOM 810 CE1 PHE A 54 1.946 7.133 5.439 1.00 0.00 C ATOM 811 CE2 PHE A 54 0.138 7.944 6.813 1.00 0.00 C ATOM 812 CZ PHE A 54 1.501 7.809 6.571 1.00 0.00 C ATOM 0 H PHE A 54 -0.755 8.044 2.215 1.00 0.00 H new ATOM 0 HA PHE A 54 -0.272 5.245 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.229 7.003 3.755 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.852 5.343 4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.375 6.057 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.841 7.501 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.005 7.024 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.206 8.463 7.696 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.215 8.230 7.263 1.00 0.00 H new ATOM 822 N ILE A 55 -3.159 5.963 0.825 1.00 0.00 N ATOM 823 CA ILE A 55 -4.090 5.368 -0.196 1.00 0.00 C ATOM 824 C ILE A 55 -3.310 4.602 -1.326 1.00 0.00 C ATOM 825 O ILE A 55 -3.662 3.456 -1.623 1.00 0.00 O ATOM 826 CB ILE A 55 -5.081 6.438 -0.794 1.00 0.00 C ATOM 827 CG1 ILE A 55 -5.893 7.237 0.267 1.00 0.00 C ATOM 828 CG2 ILE A 55 -6.103 5.833 -1.794 1.00 0.00 C ATOM 829 CD1 ILE A 55 -6.569 8.512 -0.265 1.00 0.00 C ATOM 0 H ILE A 55 -3.262 6.973 0.927 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.699 4.632 0.329 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.403 7.121 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.659 6.584 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.226 7.510 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.756 6.621 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.570 5.376 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.702 5.076 -1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.111 9.001 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.810 9.190 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.266 8.249 -1.061 1.00 0.00 H new ATOM 841 N VAL A 56 -2.255 5.209 -1.919 1.00 0.00 N ATOM 842 CA VAL A 56 -1.323 4.510 -2.861 1.00 0.00 C ATOM 843 C VAL A 56 -0.604 3.282 -2.197 1.00 0.00 C ATOM 844 O VAL A 56 -0.697 2.188 -2.751 1.00 0.00 O ATOM 845 CB VAL A 56 -0.342 5.526 -3.553 1.00 0.00 C ATOM 846 CG1 VAL A 56 0.633 4.862 -4.556 1.00 0.00 C ATOM 847 CG2 VAL A 56 -1.056 6.672 -4.315 1.00 0.00 C ATOM 0 H VAL A 56 -2.019 6.189 -1.765 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.924 4.078 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 56 0.209 5.933 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.279 5.623 -4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.243 4.124 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.064 4.371 -5.345 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.312 7.330 -4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.687 6.251 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.672 7.243 -3.620 1.00 0.00 H new ATOM 857 N MET A 57 0.056 3.423 -1.029 1.00 0.00 N ATOM 858 CA MET A 57 0.695 2.291 -0.298 1.00 0.00 C ATOM 859 C MET A 57 -0.224 1.068 0.050 1.00 0.00 C ATOM 860 O MET A 57 0.205 -0.078 -0.125 1.00 0.00 O ATOM 861 CB MET A 57 1.428 2.811 0.970 1.00 0.00 C ATOM 862 CG MET A 57 2.626 3.753 0.728 1.00 0.00 C ATOM 863 SD MET A 57 3.939 2.920 -0.195 1.00 0.00 S ATOM 864 CE MET A 57 4.866 2.133 1.138 1.00 0.00 C ATOM 0 H MET A 57 0.165 4.322 -0.560 1.00 0.00 H new ATOM 0 HA MET A 57 1.406 1.880 -1.015 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.703 3.333 1.595 1.00 0.00 H new ATOM 0 HB3 MET A 57 1.779 1.950 1.540 1.00 0.00 H new ATOM 0 HG2 MET A 57 2.294 4.634 0.178 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.016 4.103 1.684 1.00 0.00 H new ATOM 0 HE1 MET A 57 5.708 1.582 0.719 1.00 0.00 H new ATOM 0 HE2 MET A 57 5.236 2.896 1.823 1.00 0.00 H new ATOM 0 HE3 MET A 57 4.215 1.446 1.678 1.00 0.00 H new ATOM 874 N GLY A 58 -1.491 1.298 0.475 1.00 0.00 N ATOM 875 CA GLY A 58 -2.522 0.249 0.552 1.00 0.00 C ATOM 876 C GLY A 58 -2.835 -0.355 -0.820 1.00 0.00 C ATOM 877 O GLY A 58 -2.426 -1.489 -1.044 1.00 0.00 O ATOM 0 H GLY A 58 -1.820 2.217 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.187 -0.539 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.433 0.668 0.979 1.00 0.00 H new ATOM 881 N LEU A 59 -3.468 0.364 -1.764 1.00 0.00 N ATOM 882 CA LEU A 59 -3.752 -0.175 -3.139 1.00 0.00 C ATOM 883 C LEU A 59 -2.539 -0.677 -4.026 1.00 0.00 C ATOM 884 O LEU A 59 -2.740 -1.290 -5.077 1.00 0.00 O ATOM 885 CB LEU A 59 -4.727 0.826 -3.841 1.00 0.00 C ATOM 886 CG LEU A 59 -5.952 0.259 -4.617 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.613 -0.446 -5.936 1.00 0.00 C ATOM 888 CD2 LEU A 59 -6.867 -0.626 -3.744 1.00 0.00 C ATOM 0 H LEU A 59 -3.798 1.318 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.224 -1.148 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.105 1.508 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.141 1.423 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.508 1.156 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.530 -0.806 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.116 0.255 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.951 -1.289 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.701 -0.990 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.297 -1.474 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.249 -0.041 -2.908 1.00 0.00 H new ATOM 900 N VAL A 60 -1.294 -0.515 -3.545 1.00 0.00 N ATOM 901 CA VAL A 60 -0.081 -1.223 -4.057 1.00 0.00 C ATOM 902 C VAL A 60 0.292 -2.522 -3.252 1.00 0.00 C ATOM 903 O VAL A 60 0.834 -3.436 -3.877 1.00 0.00 O ATOM 904 CB VAL A 60 1.100 -0.204 -4.263 1.00 0.00 C ATOM 905 CG1 VAL A 60 2.465 -0.836 -4.629 1.00 0.00 C ATOM 906 CG2 VAL A 60 0.798 0.852 -5.357 1.00 0.00 C ATOM 0 H VAL A 60 -1.086 0.121 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.321 -1.625 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 60 1.177 0.252 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.210 -0.049 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.777 -1.513 -3.834 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.370 -1.391 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.648 1.528 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.622 0.350 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.088 1.422 -5.078 1.00 0.00 H new ATOM 916 N ASP A 61 -0.063 -2.704 -1.954 1.00 0.00 N ATOM 917 CA ASP A 61 -0.354 -4.069 -1.403 1.00 0.00 C ATOM 918 C ASP A 61 -1.357 -4.883 -2.289 1.00 0.00 C ATOM 919 O ASP A 61 -1.027 -6.004 -2.677 1.00 0.00 O ATOM 920 CB ASP A 61 -0.827 -4.001 0.083 1.00 0.00 C ATOM 921 CG ASP A 61 -0.788 -5.329 0.858 1.00 0.00 C ATOM 922 OD1 ASP A 61 -0.016 -6.253 0.613 1.00 0.00 O ATOM 923 OD2 ASP A 61 -1.718 -5.365 1.860 1.00 0.00 O ATOM 0 H ASP A 61 -0.155 -1.947 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 61 0.589 -4.615 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.206 -3.276 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.848 -3.620 0.103 1.00 0.00 H new ATOM 929 N ALA A 62 -2.522 -4.308 -2.675 1.00 0.00 N ATOM 930 CA ALA A 62 -3.405 -4.891 -3.721 1.00 0.00 C ATOM 931 C ALA A 62 -2.707 -5.311 -5.045 1.00 0.00 C ATOM 932 O ALA A 62 -2.602 -6.513 -5.267 1.00 0.00 O ATOM 933 CB ALA A 62 -4.653 -4.020 -3.952 1.00 0.00 C ATOM 0 H ALA A 62 -2.875 -3.438 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.727 -5.846 -3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.276 -4.474 -4.722 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.220 -3.944 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.347 -3.024 -4.273 1.00 0.00 H new ATOM 939 N ILE A 63 -2.192 -4.391 -5.884 1.00 0.00 N ATOM 940 CA ILE A 63 -1.632 -4.740 -7.232 1.00 0.00 C ATOM 941 C ILE A 63 -0.345 -5.645 -7.152 1.00 0.00 C ATOM 942 O ILE A 63 -0.345 -6.766 -7.684 1.00 0.00 O ATOM 943 CB ILE A 63 -1.482 -3.431 -8.100 1.00 0.00 C ATOM 944 CG1 ILE A 63 -2.827 -2.663 -8.326 1.00 0.00 C ATOM 945 CG2 ILE A 63 -0.832 -3.697 -9.484 1.00 0.00 C ATOM 946 CD1 ILE A 63 -2.676 -1.177 -8.698 1.00 0.00 C ATOM 0 H ILE A 63 -2.146 -3.396 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.341 -5.381 -7.756 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.823 -2.803 -7.502 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.385 -3.164 -9.117 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.426 -2.735 -7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.755 -2.760 -10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.163 -4.118 -9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.447 -4.400 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.663 -0.734 -8.833 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.150 -0.654 -7.900 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.109 -1.090 -9.625 1.00 0.00 H new ATOM 958 N ALA A 64 0.731 -5.164 -6.493 1.00 0.00 N ATOM 959 CA ALA A 64 2.008 -5.903 -6.378 1.00 0.00 C ATOM 960 C ALA A 64 1.922 -7.267 -5.634 1.00 0.00 C ATOM 961 O ALA A 64 2.354 -8.274 -6.195 1.00 0.00 O ATOM 962 CB ALA A 64 3.075 -4.971 -5.772 1.00 0.00 C ATOM 0 H ALA A 64 0.740 -4.257 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 64 2.295 -6.193 -7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.019 -5.508 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.210 -4.104 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.752 -4.641 -4.785 1.00 0.00 H new ATOM 968 N MET A 65 1.348 -7.320 -4.414 1.00 0.00 N ATOM 969 CA MET A 65 1.213 -8.591 -3.654 1.00 0.00 C ATOM 970 C MET A 65 0.192 -9.630 -4.226 1.00 0.00 C ATOM 971 O MET A 65 0.497 -10.826 -4.166 1.00 0.00 O ATOM 972 CB MET A 65 1.011 -8.304 -2.144 1.00 0.00 C ATOM 973 CG MET A 65 1.472 -9.441 -1.218 1.00 0.00 C ATOM 974 SD MET A 65 3.263 -9.679 -1.328 1.00 0.00 S ATOM 975 CE MET A 65 3.380 -11.269 -2.180 1.00 0.00 C ATOM 0 H MET A 65 0.971 -6.504 -3.932 1.00 0.00 H new ATOM 0 HA MET A 65 2.164 -9.107 -3.788 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.554 -7.396 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.046 -8.108 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 65 1.194 -9.212 -0.189 1.00 0.00 H new ATOM 0 HG3 MET A 65 0.961 -10.365 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.422 -11.476 -2.423 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.995 -12.057 -1.534 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.794 -11.234 -3.098 1.00 0.00 H new ATOM 985 N ILE A 66 -0.963 -9.223 -4.816 1.00 0.00 N ATOM 986 CA ILE A 66 -1.857 -10.162 -5.569 1.00 0.00 C ATOM 987 C ILE A 66 -1.136 -10.874 -6.765 1.00 0.00 C ATOM 988 O ILE A 66 -1.059 -12.104 -6.783 1.00 0.00 O ATOM 989 CB ILE A 66 -3.251 -9.525 -5.933 1.00 0.00 C ATOM 990 CG1 ILE A 66 -4.349 -10.618 -6.019 1.00 0.00 C ATOM 991 CG2 ILE A 66 -3.264 -8.617 -7.196 1.00 0.00 C ATOM 992 CD1 ILE A 66 -5.745 -10.139 -6.430 1.00 0.00 C ATOM 0 H ILE A 66 -1.300 -8.261 -4.789 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.097 -10.971 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.470 -8.845 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.023 -11.377 -6.731 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.426 -11.105 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.271 -8.231 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.574 -7.785 -7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.956 -9.198 -8.065 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.428 -10.988 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.105 -9.406 -5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.696 -9.682 -7.418 1.00 0.00 H new ATOM 1004 N ALA A 67 -0.578 -10.097 -7.717 1.00 0.00 N ATOM 1005 CA ALA A 67 0.158 -10.659 -8.879 1.00 0.00 C ATOM 1006 C ALA A 67 1.507 -11.398 -8.599 1.00 0.00 C ATOM 1007 O ALA A 67 1.786 -12.388 -9.280 1.00 0.00 O ATOM 1008 CB ALA A 67 0.325 -9.497 -9.872 1.00 0.00 C ATOM 0 H ALA A 67 -0.621 -9.078 -7.708 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.436 -11.484 -9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.862 -9.846 -10.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.657 -9.127 -10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.888 -8.693 -9.399 1.00 0.00 H new ATOM 1014 N VAL A 68 2.321 -10.968 -7.613 1.00 0.00 N ATOM 1015 CA VAL A 68 3.562 -11.700 -7.196 1.00 0.00 C ATOM 1016 C VAL A 68 3.245 -13.060 -6.478 1.00 0.00 C ATOM 1017 O VAL A 68 3.805 -14.083 -6.881 1.00 0.00 O ATOM 1018 CB VAL A 68 4.536 -10.750 -6.405 1.00 0.00 C ATOM 1019 CG1 VAL A 68 5.766 -11.454 -5.780 1.00 0.00 C ATOM 1020 CG2 VAL A 68 5.088 -9.596 -7.281 1.00 0.00 C ATOM 0 H VAL A 68 2.150 -10.115 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 68 4.103 -11.997 -8.095 1.00 0.00 H new ATOM 0 HB VAL A 68 3.897 -10.373 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.378 -10.720 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.431 -12.216 -5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.356 -11.923 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.754 -8.973 -6.684 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.639 -10.011 -8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.260 -8.992 -7.651 1.00 0.00 H new ATOM 1030 N GLY A 69 2.379 -13.091 -5.444 1.00 0.00 N ATOM 1031 CA GLY A 69 2.013 -14.355 -4.750 1.00 0.00 C ATOM 1032 C GLY A 69 1.132 -15.382 -5.505 1.00 0.00 C ATOM 1033 O GLY A 69 1.399 -16.583 -5.396 1.00 0.00 O ATOM 0 H GLY A 69 1.919 -12.262 -5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.938 -14.857 -4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.497 -14.090 -3.827 1.00 0.00 H new ATOM 1037 N LEU A 70 0.124 -14.937 -6.285 1.00 0.00 N ATOM 1038 CA LEU A 70 -0.592 -15.820 -7.258 1.00 0.00 C ATOM 1039 C LEU A 70 0.314 -16.308 -8.431 1.00 0.00 C ATOM 1040 O LEU A 70 0.318 -17.505 -8.729 1.00 0.00 O ATOM 1041 CB LEU A 70 -1.894 -15.101 -7.726 1.00 0.00 C ATOM 1042 CG LEU A 70 -2.990 -15.896 -8.497 1.00 0.00 C ATOM 1043 CD1 LEU A 70 -2.670 -16.100 -9.989 1.00 0.00 C ATOM 1044 CD2 LEU A 70 -3.375 -17.234 -7.837 1.00 0.00 C ATOM 0 H LEU A 70 -0.219 -13.976 -6.267 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.873 -16.745 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.365 -14.675 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.593 -14.266 -8.359 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.864 -15.248 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.477 -16.661 -10.461 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.570 -15.130 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.737 -16.654 -10.088 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.143 -17.726 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.496 -17.876 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.759 -17.048 -6.834 1.00 0.00 H new ATOM 1056 N GLY A 71 1.122 -15.411 -9.036 1.00 0.00 N ATOM 1057 CA GLY A 71 2.284 -15.795 -9.878 1.00 0.00 C ATOM 1058 C GLY A 71 3.238 -16.894 -9.347 1.00 0.00 C ATOM 1059 O GLY A 71 3.519 -17.832 -10.093 1.00 0.00 O ATOM 0 H GLY A 71 0.991 -14.403 -8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.901 -16.124 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.876 -14.898 -10.058 1.00 0.00 H new ATOM 1063 N LEU A 72 3.689 -16.823 -8.077 1.00 0.00 N ATOM 1064 CA LEU A 72 4.506 -17.890 -7.448 1.00 0.00 C ATOM 1065 C LEU A 72 3.793 -19.271 -7.284 1.00 0.00 C ATOM 1066 O LEU A 72 4.313 -20.287 -7.749 1.00 0.00 O ATOM 1067 CB LEU A 72 5.104 -17.417 -6.091 1.00 0.00 C ATOM 1068 CG LEU A 72 6.462 -18.104 -5.783 1.00 0.00 C ATOM 1069 CD1 LEU A 72 7.632 -17.484 -6.575 1.00 0.00 C ATOM 1070 CD2 LEU A 72 6.799 -18.076 -4.285 1.00 0.00 C ATOM 0 H LEU A 72 3.501 -16.033 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 72 5.310 -18.070 -8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.241 -16.336 -6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.398 -17.633 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 72 6.338 -19.140 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.557 -18.002 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.441 -17.583 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.725 -16.428 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.757 -18.568 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.858 -17.042 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.021 -18.598 -3.727 1.00 0.00 H new ATOM 1082 N TYR A 73 2.605 -19.284 -6.648 1.00 0.00 N ATOM 1083 CA TYR A 73 1.686 -20.454 -6.598 1.00 0.00 C ATOM 1084 C TYR A 73 1.443 -21.216 -7.950 1.00 0.00 C ATOM 1085 O TYR A 73 1.487 -22.447 -7.992 1.00 0.00 O ATOM 1086 CB TYR A 73 0.374 -19.936 -5.941 1.00 0.00 C ATOM 1087 CG TYR A 73 -0.619 -21.010 -5.463 1.00 0.00 C ATOM 1088 CD1 TYR A 73 -0.546 -21.507 -4.157 1.00 0.00 C ATOM 1089 CD2 TYR A 73 -1.640 -21.455 -6.310 1.00 0.00 C ATOM 1090 CE1 TYR A 73 -1.493 -22.418 -3.697 1.00 0.00 C ATOM 1091 CE2 TYR A 73 -2.574 -22.383 -5.855 1.00 0.00 C ATOM 1092 CZ TYR A 73 -2.502 -22.860 -4.548 1.00 0.00 C ATOM 1093 OH TYR A 73 -3.411 -23.786 -4.111 1.00 0.00 O ATOM 0 H TYR A 73 2.245 -18.473 -6.145 1.00 0.00 H new ATOM 0 HA TYR A 73 2.159 -21.242 -6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.642 -19.313 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.137 -19.293 -6.657 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.249 -21.182 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.704 -21.078 -7.320 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.445 -22.781 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.354 -22.733 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.047 -23.984 -4.829 1.00 0.00 H new ATOM 1103 N VAL A 74 1.218 -20.463 -9.037 1.00 0.00 N ATOM 1104 CA VAL A 74 1.006 -21.020 -10.408 1.00 0.00 C ATOM 1105 C VAL A 74 2.346 -21.427 -11.121 1.00 0.00 C ATOM 1106 O VAL A 74 2.374 -22.484 -11.756 1.00 0.00 O ATOM 1107 CB VAL A 74 0.083 -20.060 -11.247 1.00 0.00 C ATOM 1108 CG1 VAL A 74 -0.138 -20.511 -12.711 1.00 0.00 C ATOM 1109 CG2 VAL A 74 -1.324 -19.866 -10.628 1.00 0.00 C ATOM 0 H VAL A 74 1.175 -19.444 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 74 0.472 -21.966 -10.317 1.00 0.00 H new ATOM 0 HB VAL A 74 0.643 -19.125 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.785 -19.795 -13.219 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.822 -20.561 -13.225 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.607 -21.495 -12.722 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.908 -19.193 -11.256 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.828 -20.830 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.227 -19.438 -9.630 1.00 0.00 H new ATOM 1119 N MET A 75 3.442 -20.641 -11.014 1.00 0.00 N ATOM 1120 CA MET A 75 4.815 -21.067 -11.430 1.00 0.00 C ATOM 1121 C MET A 75 5.326 -22.406 -10.795 1.00 0.00 C ATOM 1122 O MET A 75 5.875 -23.241 -11.518 1.00 0.00 O ATOM 1123 CB MET A 75 5.768 -19.861 -11.191 1.00 0.00 C ATOM 1124 CG MET A 75 7.204 -19.994 -11.738 1.00 0.00 C ATOM 1125 SD MET A 75 8.192 -21.073 -10.679 1.00 0.00 S ATOM 1126 CE MET A 75 9.753 -21.064 -11.579 1.00 0.00 C ATOM 0 H MET A 75 3.409 -19.693 -10.638 1.00 0.00 H new ATOM 0 HA MET A 75 4.788 -21.327 -12.488 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.315 -18.976 -11.637 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.828 -19.682 -10.117 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.177 -20.396 -12.751 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.669 -19.010 -11.798 1.00 0.00 H new ATOM 0 HE1 MET A 75 10.478 -21.687 -11.056 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.596 -21.456 -12.584 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.130 -20.043 -11.643 1.00 0.00 H new ATOM 1136 N PHE A 76 5.100 -22.636 -9.484 1.00 0.00 N ATOM 1137 CA PHE A 76 5.227 -23.986 -8.864 1.00 0.00 C ATOM 1138 C PHE A 76 4.300 -25.091 -9.460 1.00 0.00 C ATOM 1139 O PHE A 76 4.789 -26.181 -9.771 1.00 0.00 O ATOM 1140 CB PHE A 76 5.035 -23.884 -7.321 1.00 0.00 C ATOM 1141 CG PHE A 76 6.183 -23.266 -6.505 1.00 0.00 C ATOM 1142 CD1 PHE A 76 7.472 -23.812 -6.594 1.00 0.00 C ATOM 1143 CD2 PHE A 76 5.944 -22.218 -5.604 1.00 0.00 C ATOM 1144 CE1 PHE A 76 8.511 -23.295 -5.828 1.00 0.00 C ATOM 1145 CE2 PHE A 76 6.994 -21.703 -4.844 1.00 0.00 C ATOM 1146 CZ PHE A 76 8.271 -22.242 -4.953 1.00 0.00 C ATOM 0 H PHE A 76 4.827 -21.905 -8.827 1.00 0.00 H new ATOM 0 HA PHE A 76 6.237 -24.317 -9.106 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.134 -23.300 -7.131 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.851 -24.887 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.659 -24.640 -7.262 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.949 -21.811 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.504 -23.711 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.814 -20.881 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.078 -21.842 -4.357 1.00 0.00 H new