USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 -5 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.16) USER MOD Set 1.2: A -9 LYS NZ :NH3+ -150:sc= 0.00179 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.947 X(o=-0.95,f=-1!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.7!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -3 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.49) USER MOD Single : A -6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET CE :methyl -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 37:sc= 0.0741 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.04 X(o=-1,f=-1.2!) USER MOD Single : A 20 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.01) USER MOD Single : A 23 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0755 USER MOD Single : A 39 SER OG : rot -45:sc= 0.0273 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A -11 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.1!) USER MOD Single : A -14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -16 SER OG : rot 44:sc= -0.695 USER MOD Single : A -17 ASN : amide:sc= -0.0252 K(o=-0.025,f=-2.2) USER MOD Single : A -18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -18 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -18 -4.259 -43.218 28.726 1.00 0.00 N ATOM 2 CA MET A -18 -5.499 -42.589 29.250 1.00 0.00 C ATOM 3 C MET A -18 -5.495 -41.081 29.015 1.00 0.00 C ATOM 4 O MET A -18 -4.508 -40.402 29.298 1.00 0.00 O ATOM 5 CB MET A -18 -5.603 -42.889 30.747 1.00 0.00 C ATOM 6 CG MET A -18 -6.395 -44.147 31.062 1.00 0.00 C ATOM 7 SD MET A -18 -8.100 -43.795 31.532 1.00 0.00 S ATOM 8 CE MET A -18 -8.771 -45.452 31.639 1.00 0.00 C ATOM 0 H1 MET A -18 -4.290 -44.243 28.900 1.00 0.00 H new ATOM 0 H2 MET A -18 -4.186 -43.042 27.704 1.00 0.00 H new ATOM 0 H3 MET A -18 -3.432 -42.810 29.208 1.00 0.00 H new ATOM 0 HA MET A -18 -6.359 -43.001 28.723 1.00 0.00 H new ATOM 0 HB2 MET A -18 -4.599 -42.989 31.160 1.00 0.00 H new ATOM 0 HB3 MET A -18 -6.070 -42.041 31.247 1.00 0.00 H new ATOM 0 HG2 MET A -18 -6.390 -44.802 30.191 1.00 0.00 H new ATOM 0 HG3 MET A -18 -5.904 -44.688 31.871 1.00 0.00 H new ATOM 0 HE1 MET A -18 -9.822 -45.401 31.922 1.00 0.00 H new ATOM 0 HE2 MET A -18 -8.679 -45.945 30.671 1.00 0.00 H new ATOM 0 HE3 MET A -18 -8.221 -46.020 32.389 1.00 0.00 H new ATOM 20 N ASN A -17 -6.605 -40.566 28.497 1.00 0.00 N ATOM 21 CA ASN A -17 -6.728 -39.138 28.225 1.00 0.00 C ATOM 22 C ASN A -17 -7.264 -38.395 29.445 1.00 0.00 C ATOM 23 O ASN A -17 -8.309 -38.749 29.990 1.00 0.00 O ATOM 24 CB ASN A -17 -7.650 -38.904 27.025 1.00 0.00 C ATOM 25 CG ASN A -17 -7.512 -37.506 26.455 1.00 0.00 C ATOM 26 OD1 ASN A -17 -7.805 -36.517 27.127 1.00 0.00 O ATOM 27 ND2 ASN A -17 -7.064 -37.419 25.207 1.00 0.00 N ATOM 0 H ASN A -17 -7.431 -41.115 28.257 1.00 0.00 H new ATOM 0 HA ASN A -17 -5.736 -38.751 27.994 1.00 0.00 H new ATOM 0 HB2 ASN A -17 -7.423 -39.634 26.248 1.00 0.00 H new ATOM 0 HB3 ASN A -17 -8.684 -39.070 27.327 1.00 0.00 H new ATOM 0 HD21 ASN A -17 -6.951 -36.505 24.768 1.00 0.00 H new ATOM 0 HD22 ASN A -17 -6.833 -38.266 24.688 1.00 0.00 H new ATOM 34 N SER A -16 -6.539 -37.366 29.869 1.00 0.00 N ATOM 35 CA SER A -16 -6.940 -36.573 31.025 1.00 0.00 C ATOM 36 C SER A -16 -8.263 -35.860 30.765 1.00 0.00 C ATOM 37 O SER A -16 -8.390 -35.088 29.812 1.00 0.00 O ATOM 38 CB SER A -16 -5.855 -35.552 31.371 1.00 0.00 C ATOM 39 OG SER A -16 -5.328 -34.950 30.201 1.00 0.00 O ATOM 0 H SER A -16 -5.670 -37.061 29.429 1.00 0.00 H new ATOM 0 HA SER A -16 -7.074 -37.250 31.869 1.00 0.00 H new ATOM 0 HB2 SER A -16 -6.269 -34.784 32.024 1.00 0.00 H new ATOM 0 HB3 SER A -16 -5.054 -36.042 31.924 1.00 0.00 H new ATOM 0 HG SER A -16 -6.061 -34.725 29.590 1.00 0.00 H new ATOM 45 N VAL A -15 -9.243 -36.110 31.625 1.00 0.00 N ATOM 46 CA VAL A -15 -10.553 -35.488 31.481 1.00 0.00 C ATOM 47 C VAL A -15 -10.650 -34.239 32.341 1.00 0.00 C ATOM 48 O VAL A -15 -11.425 -33.331 32.047 1.00 0.00 O ATOM 49 CB VAL A -15 -11.685 -36.458 31.867 1.00 0.00 C ATOM 50 CG1 VAL A -15 -13.040 -35.866 31.513 1.00 0.00 C ATOM 51 CG2 VAL A -15 -11.488 -37.805 31.190 1.00 0.00 C ATOM 0 H VAL A -15 -9.156 -36.736 32.426 1.00 0.00 H new ATOM 0 HA VAL A -15 -10.668 -35.219 30.431 1.00 0.00 H new ATOM 0 HB VAL A -15 -11.654 -36.613 32.946 1.00 0.00 H new ATOM 0 HG11 VAL A -15 -13.827 -36.566 31.793 1.00 0.00 H new ATOM 0 HG12 VAL A -15 -13.179 -34.929 32.051 1.00 0.00 H new ATOM 0 HG13 VAL A -15 -13.086 -35.679 30.440 1.00 0.00 H new ATOM 0 HG21 VAL A -15 -12.297 -38.477 31.475 1.00 0.00 H new ATOM 0 HG22 VAL A -15 -11.490 -37.672 30.108 1.00 0.00 H new ATOM 0 HG23 VAL A -15 -10.535 -38.233 31.501 1.00 0.00 H new ATOM 61 N LYS A -14 -9.833 -34.182 33.382 1.00 0.00 N ATOM 62 CA LYS A -14 -9.803 -33.023 34.258 1.00 0.00 C ATOM 63 C LYS A -14 -8.883 -31.966 33.661 1.00 0.00 C ATOM 64 O LYS A -14 -9.107 -30.766 33.818 1.00 0.00 O ATOM 65 CB LYS A -14 -9.328 -33.413 35.660 1.00 0.00 C ATOM 66 CG LYS A -14 -10.119 -32.754 36.778 1.00 0.00 C ATOM 67 CD LYS A -14 -9.815 -31.268 36.879 1.00 0.00 C ATOM 68 CE LYS A -14 -8.425 -31.019 37.443 1.00 0.00 C ATOM 69 NZ LYS A -14 -7.806 -29.792 36.871 1.00 0.00 N ATOM 0 H LYS A -14 -9.183 -34.925 33.640 1.00 0.00 H new ATOM 0 HA LYS A -14 -10.811 -32.619 34.347 1.00 0.00 H new ATOM 0 HB2 LYS A -14 -9.395 -34.495 35.769 1.00 0.00 H new ATOM 0 HB3 LYS A -14 -8.276 -33.147 35.765 1.00 0.00 H new ATOM 0 HG2 LYS A -14 -11.185 -32.897 36.603 1.00 0.00 H new ATOM 0 HG3 LYS A -14 -9.884 -33.239 37.725 1.00 0.00 H new ATOM 0 HD2 LYS A -14 -9.895 -30.812 35.892 1.00 0.00 H new ATOM 0 HD3 LYS A -14 -10.558 -30.786 37.515 1.00 0.00 H new ATOM 0 HE2 LYS A -14 -8.485 -30.924 38.527 1.00 0.00 H new ATOM 0 HE3 LYS A -14 -7.789 -31.879 37.233 1.00 0.00 H new ATOM 0 HZ1 LYS A -14 -6.860 -29.657 37.281 1.00 0.00 H new ATOM 0 HZ2 LYS A -14 -7.725 -29.893 35.839 1.00 0.00 H new ATOM 0 HZ3 LYS A -14 -8.400 -28.968 37.093 1.00 0.00 H new ATOM 83 N GLU A -13 -7.854 -32.430 32.958 1.00 0.00 N ATOM 84 CA GLU A -13 -6.905 -31.542 32.316 1.00 0.00 C ATOM 85 C GLU A -13 -7.480 -31.014 31.010 1.00 0.00 C ATOM 86 O GLU A -13 -7.238 -29.870 30.628 1.00 0.00 O ATOM 87 CB GLU A -13 -5.583 -32.267 32.055 1.00 0.00 C ATOM 88 CG GLU A -13 -4.458 -31.341 31.622 1.00 0.00 C ATOM 89 CD GLU A -13 -3.086 -31.936 31.868 1.00 0.00 C ATOM 90 OE1 GLU A -13 -2.841 -33.074 31.413 1.00 0.00 O ATOM 91 OE2 GLU A -13 -2.255 -31.267 32.518 1.00 0.00 O ATOM 0 H GLU A -13 -7.660 -33.422 32.821 1.00 0.00 H new ATOM 0 HA GLU A -13 -6.713 -30.701 32.983 1.00 0.00 H new ATOM 0 HB2 GLU A -13 -5.281 -32.793 32.961 1.00 0.00 H new ATOM 0 HB3 GLU A -13 -5.738 -33.022 31.284 1.00 0.00 H new ATOM 0 HG2 GLU A -13 -4.567 -31.114 30.561 1.00 0.00 H new ATOM 0 HG3 GLU A -13 -4.542 -30.397 32.160 1.00 0.00 H new ATOM 98 N LEU A -12 -8.243 -31.861 30.332 1.00 0.00 N ATOM 99 CA LEU A -12 -8.862 -31.483 29.068 1.00 0.00 C ATOM 100 C LEU A -12 -10.139 -30.676 29.293 1.00 0.00 C ATOM 101 O LEU A -12 -10.589 -29.954 28.404 1.00 0.00 O ATOM 102 CB LEU A -12 -9.171 -32.728 28.234 1.00 0.00 C ATOM 103 CG LEU A -12 -9.385 -32.471 26.741 1.00 0.00 C ATOM 104 CD1 LEU A -12 -8.944 -33.675 25.925 1.00 0.00 C ATOM 105 CD2 LEU A -12 -10.844 -32.140 26.462 1.00 0.00 C ATOM 0 H LEU A -12 -8.448 -32.813 30.635 1.00 0.00 H new ATOM 0 HA LEU A -12 -8.155 -30.855 28.526 1.00 0.00 H new ATOM 0 HB2 LEU A -12 -8.352 -33.438 28.351 1.00 0.00 H new ATOM 0 HB3 LEU A -12 -10.065 -33.204 28.637 1.00 0.00 H new ATOM 0 HG LEU A -12 -8.776 -31.616 26.447 1.00 0.00 H new ATOM 0 HD11 LEU A -12 -9.103 -33.475 24.865 1.00 0.00 H new ATOM 0 HD12 LEU A -12 -7.886 -33.867 26.103 1.00 0.00 H new ATOM 0 HD13 LEU A -12 -9.526 -34.548 26.221 1.00 0.00 H new ATOM 0 HD21 LEU A -12 -10.979 -31.960 25.395 1.00 0.00 H new ATOM 0 HD22 LEU A -12 -11.472 -32.975 26.771 1.00 0.00 H new ATOM 0 HD23 LEU A -12 -11.128 -31.247 27.019 1.00 0.00 H new ATOM 117 N ASN A -11 -10.721 -30.801 30.483 1.00 0.00 N ATOM 118 CA ASN A -11 -11.945 -30.083 30.809 1.00 0.00 C ATOM 119 C ASN A -11 -11.646 -28.701 31.376 1.00 0.00 C ATOM 120 O ASN A -11 -12.442 -27.774 31.233 1.00 0.00 O ATOM 121 CB ASN A -11 -12.789 -30.881 31.804 1.00 0.00 C ATOM 122 CG ASN A -11 -13.594 -31.978 31.135 1.00 0.00 C ATOM 123 OD1 ASN A -11 -13.092 -32.685 30.261 1.00 0.00 O ATOM 124 ND2 ASN A -11 -14.848 -32.126 31.543 1.00 0.00 N ATOM 0 H ASN A -11 -10.364 -31.392 31.234 1.00 0.00 H new ATOM 0 HA ASN A -11 -12.507 -29.958 29.883 1.00 0.00 H new ATOM 0 HB2 ASN A -11 -12.136 -31.322 32.557 1.00 0.00 H new ATOM 0 HB3 ASN A -11 -13.466 -30.205 32.325 1.00 0.00 H new ATOM 0 HD21 ASN A -11 -15.437 -32.849 31.129 1.00 0.00 H new ATOM 0 HD22 ASN A -11 -15.223 -31.517 32.271 1.00 0.00 H new ATOM 131 N VAL A -10 -10.497 -28.572 32.023 1.00 0.00 N ATOM 132 CA VAL A -10 -10.093 -27.303 32.618 1.00 0.00 C ATOM 133 C VAL A -10 -9.778 -26.266 31.543 1.00 0.00 C ATOM 134 O VAL A -10 -9.935 -25.066 31.761 1.00 0.00 O ATOM 135 CB VAL A -10 -8.868 -27.475 33.539 1.00 0.00 C ATOM 136 CG1 VAL A -10 -7.647 -27.917 32.743 1.00 0.00 C ATOM 137 CG2 VAL A -10 -8.585 -26.185 34.297 1.00 0.00 C ATOM 0 H VAL A -10 -9.826 -29.330 32.150 1.00 0.00 H new ATOM 0 HA VAL A -10 -10.934 -26.952 33.216 1.00 0.00 H new ATOM 0 HB VAL A -10 -9.094 -28.256 34.265 1.00 0.00 H new ATOM 0 HG11 VAL A -10 -6.796 -28.031 33.415 1.00 0.00 H new ATOM 0 HG12 VAL A -10 -7.855 -28.870 32.256 1.00 0.00 H new ATOM 0 HG13 VAL A -10 -7.414 -27.167 31.987 1.00 0.00 H new ATOM 0 HG21 VAL A -10 -7.717 -26.325 34.942 1.00 0.00 H new ATOM 0 HG22 VAL A -10 -8.384 -25.383 33.587 1.00 0.00 H new ATOM 0 HG23 VAL A -10 -9.451 -25.923 34.905 1.00 0.00 H new ATOM 147 N LYS A -9 -9.333 -26.738 30.383 1.00 0.00 N ATOM 148 CA LYS A -9 -8.998 -25.853 29.277 1.00 0.00 C ATOM 149 C LYS A -9 -10.256 -25.221 28.685 1.00 0.00 C ATOM 150 O LYS A -9 -10.297 -24.018 28.426 1.00 0.00 O ATOM 151 CB LYS A -9 -8.237 -26.623 28.193 1.00 0.00 C ATOM 152 CG LYS A -9 -6.921 -25.974 27.797 1.00 0.00 C ATOM 153 CD LYS A -9 -6.660 -26.110 26.305 1.00 0.00 C ATOM 154 CE LYS A -9 -7.391 -25.040 25.510 1.00 0.00 C ATOM 155 NZ LYS A -9 -6.484 -23.932 25.103 1.00 0.00 N ATOM 0 H LYS A -9 -9.196 -27.729 30.186 1.00 0.00 H new ATOM 0 HA LYS A -9 -8.361 -25.056 29.661 1.00 0.00 H new ATOM 0 HB2 LYS A -9 -8.041 -27.635 28.547 1.00 0.00 H new ATOM 0 HB3 LYS A -9 -8.869 -26.711 27.310 1.00 0.00 H new ATOM 0 HG2 LYS A -9 -6.938 -24.919 28.070 1.00 0.00 H new ATOM 0 HG3 LYS A -9 -6.105 -26.434 28.354 1.00 0.00 H new ATOM 0 HD2 LYS A -9 -5.589 -26.038 26.114 1.00 0.00 H new ATOM 0 HD3 LYS A -9 -6.979 -27.096 25.968 1.00 0.00 H new ATOM 0 HE2 LYS A -9 -7.837 -25.489 24.622 1.00 0.00 H new ATOM 0 HE3 LYS A -9 -8.209 -24.638 26.109 1.00 0.00 H new ATOM 0 HZ1 LYS A -9 -7.025 -23.046 25.039 1.00 0.00 H new ATOM 0 HZ2 LYS A -9 -5.728 -23.825 25.809 1.00 0.00 H new ATOM 0 HZ3 LYS A -9 -6.065 -24.149 24.176 1.00 0.00 H new ATOM 169 N GLU A -8 -11.280 -26.043 28.472 1.00 0.00 N ATOM 170 CA GLU A -8 -12.538 -25.568 27.910 1.00 0.00 C ATOM 171 C GLU A -8 -13.147 -24.479 28.779 1.00 0.00 C ATOM 172 O GLU A -8 -13.419 -23.372 28.314 1.00 0.00 O ATOM 173 CB GLU A -8 -13.525 -26.729 27.759 1.00 0.00 C ATOM 174 CG GLU A -8 -13.477 -27.392 26.392 1.00 0.00 C ATOM 175 CD GLU A -8 -14.754 -28.141 26.063 1.00 0.00 C ATOM 176 OE1 GLU A -8 -15.846 -27.587 26.306 1.00 0.00 O ATOM 177 OE2 GLU A -8 -14.661 -29.282 25.564 1.00 0.00 O ATOM 0 H GLU A -8 -11.262 -27.041 28.681 1.00 0.00 H new ATOM 0 HA GLU A -8 -12.330 -25.147 26.927 1.00 0.00 H new ATOM 0 HB2 GLU A -8 -13.314 -27.476 28.524 1.00 0.00 H new ATOM 0 HB3 GLU A -8 -14.535 -26.363 27.941 1.00 0.00 H new ATOM 0 HG2 GLU A -8 -13.298 -26.633 25.630 1.00 0.00 H new ATOM 0 HG3 GLU A -8 -12.635 -28.083 26.357 1.00 0.00 H new ATOM 184 N MET A -7 -13.353 -24.807 30.042 1.00 0.00 N ATOM 185 CA MET A -7 -13.930 -23.868 30.997 1.00 0.00 C ATOM 186 C MET A -7 -13.063 -22.618 31.123 1.00 0.00 C ATOM 187 O MET A -7 -13.569 -21.522 31.375 1.00 0.00 O ATOM 188 CB MET A -7 -14.090 -24.533 32.366 1.00 0.00 C ATOM 189 CG MET A -7 -12.786 -25.053 32.950 1.00 0.00 C ATOM 190 SD MET A -7 -12.705 -24.868 34.741 1.00 0.00 S ATOM 191 CE MET A -7 -11.442 -23.608 34.895 1.00 0.00 C ATOM 0 H MET A -7 -13.129 -25.721 30.435 1.00 0.00 H new ATOM 0 HA MET A -7 -14.912 -23.571 30.629 1.00 0.00 H new ATOM 0 HB2 MET A -7 -14.528 -23.815 33.060 1.00 0.00 H new ATOM 0 HB3 MET A -7 -14.794 -25.361 32.278 1.00 0.00 H new ATOM 0 HG2 MET A -7 -12.671 -26.106 32.692 1.00 0.00 H new ATOM 0 HG3 MET A -7 -11.951 -24.520 32.495 1.00 0.00 H new ATOM 0 HE1 MET A -7 -11.202 -23.460 35.948 1.00 0.00 H new ATOM 0 HE2 MET A -7 -10.546 -23.923 34.359 1.00 0.00 H new ATOM 0 HE3 MET A -7 -11.808 -22.673 34.471 1.00 0.00 H new ATOM 201 N LYS A -6 -11.756 -22.791 30.944 1.00 0.00 N ATOM 202 CA LYS A -6 -10.815 -21.680 31.036 1.00 0.00 C ATOM 203 C LYS A -6 -11.222 -20.541 30.109 1.00 0.00 C ATOM 204 O LYS A -6 -11.503 -19.431 30.561 1.00 0.00 O ATOM 205 CB LYS A -6 -9.399 -22.150 30.694 1.00 0.00 C ATOM 206 CG LYS A -6 -8.330 -21.104 30.966 1.00 0.00 C ATOM 207 CD LYS A -6 -6.946 -21.730 31.037 1.00 0.00 C ATOM 208 CE LYS A -6 -6.562 -22.074 32.468 1.00 0.00 C ATOM 209 NZ LYS A -6 -5.118 -22.419 32.591 1.00 0.00 N ATOM 0 H LYS A -6 -11.325 -23.691 30.734 1.00 0.00 H new ATOM 0 HA LYS A -6 -10.830 -21.312 32.062 1.00 0.00 H new ATOM 0 HB2 LYS A -6 -9.173 -23.047 31.271 1.00 0.00 H new ATOM 0 HB3 LYS A -6 -9.362 -22.430 29.641 1.00 0.00 H new ATOM 0 HG2 LYS A -6 -8.349 -20.349 30.180 1.00 0.00 H new ATOM 0 HG3 LYS A -6 -8.549 -20.594 31.904 1.00 0.00 H new ATOM 0 HD2 LYS A -6 -6.922 -22.632 30.426 1.00 0.00 H new ATOM 0 HD3 LYS A -6 -6.212 -21.041 30.618 1.00 0.00 H new ATOM 0 HE2 LYS A -6 -6.789 -21.229 33.117 1.00 0.00 H new ATOM 0 HE3 LYS A -6 -7.166 -22.913 32.814 1.00 0.00 H new ATOM 0 HZ1 LYS A -6 -4.899 -22.647 33.582 1.00 0.00 H new ATOM 0 HZ2 LYS A -6 -4.905 -23.242 31.991 1.00 0.00 H new ATOM 0 HZ3 LYS A -6 -4.541 -21.610 32.286 1.00 0.00 H new ATOM 223 N GLN A -5 -11.254 -20.819 28.807 1.00 0.00 N ATOM 224 CA GLN A -5 -11.630 -19.811 27.828 1.00 0.00 C ATOM 225 C GLN A -5 -13.144 -19.732 27.654 1.00 0.00 C ATOM 226 O GLN A -5 -13.640 -19.175 26.674 1.00 0.00 O ATOM 227 CB GLN A -5 -10.998 -20.143 26.489 1.00 0.00 C ATOM 228 CG GLN A -5 -9.553 -19.688 26.361 1.00 0.00 C ATOM 229 CD GLN A -5 -8.608 -20.828 26.033 1.00 0.00 C ATOM 230 OE1 GLN A -5 -8.118 -20.939 24.909 1.00 0.00 O ATOM 231 NE2 GLN A -5 -8.347 -21.682 27.015 1.00 0.00 N ATOM 0 H GLN A -5 -11.025 -21.730 28.411 1.00 0.00 H new ATOM 0 HA GLN A -5 -11.274 -18.847 28.191 1.00 0.00 H new ATOM 0 HB2 GLN A -5 -11.045 -21.221 26.333 1.00 0.00 H new ATOM 0 HB3 GLN A -5 -11.586 -19.681 25.696 1.00 0.00 H new ATOM 0 HG2 GLN A -5 -9.483 -18.928 25.583 1.00 0.00 H new ATOM 0 HG3 GLN A -5 -9.240 -19.219 27.294 1.00 0.00 H new ATOM 0 HE21 GLN A -5 -8.775 -21.552 27.931 1.00 0.00 H new ATOM 0 HE22 GLN A -5 -7.718 -22.469 26.853 1.00 0.00 H new ATOM 240 N LEU A -4 -13.870 -20.280 28.613 1.00 0.00 N ATOM 241 CA LEU A -4 -15.326 -20.265 28.584 1.00 0.00 C ATOM 242 C LEU A -4 -15.858 -19.018 29.270 1.00 0.00 C ATOM 243 O LEU A -4 -16.588 -18.223 28.678 1.00 0.00 O ATOM 244 CB LEU A -4 -15.889 -21.516 29.259 1.00 0.00 C ATOM 245 CG LEU A -4 -17.207 -22.029 28.674 1.00 0.00 C ATOM 246 CD1 LEU A -4 -17.266 -23.547 28.743 1.00 0.00 C ATOM 247 CD2 LEU A -4 -18.390 -21.414 29.409 1.00 0.00 C ATOM 0 H LEU A -4 -13.472 -20.745 29.429 1.00 0.00 H new ATOM 0 HA LEU A -4 -15.647 -20.256 27.542 1.00 0.00 H new ATOM 0 HB2 LEU A -4 -15.146 -22.311 29.194 1.00 0.00 H new ATOM 0 HB3 LEU A -4 -16.037 -21.304 30.318 1.00 0.00 H new ATOM 0 HG LEU A -4 -17.259 -21.731 27.627 1.00 0.00 H new ATOM 0 HD11 LEU A -4 -18.210 -23.894 28.323 1.00 0.00 H new ATOM 0 HD12 LEU A -4 -16.438 -23.970 28.174 1.00 0.00 H new ATOM 0 HD13 LEU A -4 -17.192 -23.867 29.782 1.00 0.00 H new ATOM 0 HD21 LEU A -4 -19.319 -21.789 28.981 1.00 0.00 H new ATOM 0 HD22 LEU A -4 -18.342 -21.683 30.464 1.00 0.00 H new ATOM 0 HD23 LEU A -4 -18.356 -20.329 29.309 1.00 0.00 H new ATOM 259 N HIS A -3 -15.479 -18.865 30.526 1.00 0.00 N ATOM 260 CA HIS A -3 -15.900 -17.728 31.328 1.00 0.00 C ATOM 261 C HIS A -3 -14.976 -16.526 31.126 1.00 0.00 C ATOM 262 O HIS A -3 -15.119 -15.506 31.799 1.00 0.00 O ATOM 263 CB HIS A -3 -15.936 -18.111 32.808 1.00 0.00 C ATOM 264 CG HIS A -3 -16.885 -17.283 33.618 1.00 0.00 C ATOM 265 ND1 HIS A -3 -18.066 -16.779 33.112 1.00 0.00 N ATOM 266 CD2 HIS A -3 -16.824 -16.870 34.906 1.00 0.00 C ATOM 267 CE1 HIS A -3 -18.688 -16.092 34.053 1.00 0.00 C ATOM 268 NE2 HIS A -3 -17.956 -16.132 35.151 1.00 0.00 N ATOM 0 H HIS A -3 -14.873 -19.522 31.018 1.00 0.00 H new ATOM 0 HA HIS A -3 -16.900 -17.444 31.001 1.00 0.00 H new ATOM 0 HB2 HIS A -3 -16.216 -19.161 32.896 1.00 0.00 H new ATOM 0 HB3 HIS A -3 -14.934 -18.012 33.225 1.00 0.00 H new ATOM 0 HD2 HIS A -3 -16.033 -17.082 35.610 1.00 0.00 H new ATOM 0 HE1 HIS A -3 -19.635 -15.584 33.943 1.00 0.00 H new ATOM 0 HE2 HIS A -3 -18.193 -15.687 36.038 1.00 0.00 H new ATOM 277 N GLY A -2 -14.027 -16.650 30.200 1.00 0.00 N ATOM 278 CA GLY A -2 -13.101 -15.562 29.939 1.00 0.00 C ATOM 279 C GLY A -2 -13.805 -14.277 29.551 1.00 0.00 C ATOM 280 O GLY A -2 -13.655 -13.254 30.218 1.00 0.00 O ATOM 0 H GLY A -2 -13.884 -17.482 29.628 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -12.494 -15.385 30.827 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -12.419 -15.854 29.140 1.00 0.00 H new ATOM 284 N GLY A -1 -14.575 -14.328 28.469 1.00 0.00 N ATOM 285 CA GLY A -1 -15.292 -13.152 28.012 1.00 0.00 C ATOM 286 C GLY A -1 -14.472 -12.310 27.055 1.00 0.00 C ATOM 287 O GLY A -1 -13.461 -12.770 26.523 1.00 0.00 O ATOM 0 H GLY A -1 -14.715 -15.163 27.900 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -16.215 -13.461 27.521 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -15.576 -12.546 28.872 1.00 0.00 H new ATOM 291 N VAL A 1 -14.906 -11.074 26.834 1.00 0.00 N ATOM 292 CA VAL A 1 -14.205 -10.167 25.934 1.00 0.00 C ATOM 293 C VAL A 1 -13.486 -9.069 26.709 1.00 0.00 C ATOM 294 O VAL A 1 -14.054 -8.463 27.616 1.00 0.00 O ATOM 295 CB VAL A 1 -15.171 -9.518 24.925 1.00 0.00 C ATOM 296 CG1 VAL A 1 -15.583 -10.520 23.858 1.00 0.00 C ATOM 297 CG2 VAL A 1 -16.391 -8.956 25.639 1.00 0.00 C ATOM 0 H VAL A 1 -15.740 -10.677 27.266 1.00 0.00 H new ATOM 0 HA VAL A 1 -13.472 -10.765 25.392 1.00 0.00 H new ATOM 0 HB VAL A 1 -14.654 -8.693 24.435 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -16.265 -10.043 23.155 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -14.698 -10.869 23.325 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -16.081 -11.368 24.328 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -17.062 -8.502 24.910 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -16.911 -9.761 26.159 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -16.075 -8.203 26.361 1.00 0.00 H new ATOM 307 N ASN A 2 -12.233 -8.820 26.345 1.00 0.00 N ATOM 308 CA ASN A 2 -11.434 -7.794 27.007 1.00 0.00 C ATOM 309 C ASN A 2 -10.377 -7.234 26.058 1.00 0.00 C ATOM 310 O ASN A 2 -9.177 -7.379 26.292 1.00 0.00 O ATOM 311 CB ASN A 2 -10.767 -8.367 28.259 1.00 0.00 C ATOM 312 CG ASN A 2 -11.550 -8.062 29.522 1.00 0.00 C ATOM 313 OD1 ASN A 2 -12.679 -8.523 29.692 1.00 0.00 O ATOM 314 ND2 ASN A 2 -10.953 -7.282 30.415 1.00 0.00 N ATOM 0 H ASN A 2 -11.748 -9.314 25.596 1.00 0.00 H new ATOM 0 HA ASN A 2 -12.098 -6.981 27.301 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.664 -9.447 28.151 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.761 -7.958 28.351 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -11.431 -7.043 31.284 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -10.016 -6.922 30.233 1.00 0.00 H new ATOM 321 N TYR A 3 -10.832 -6.594 24.985 1.00 0.00 N ATOM 322 CA TYR A 3 -9.927 -6.012 24.000 1.00 0.00 C ATOM 323 C TYR A 3 -9.015 -7.079 23.402 1.00 0.00 C ATOM 324 O TYR A 3 -7.827 -6.845 23.182 1.00 0.00 O ATOM 325 CB TYR A 3 -9.089 -4.903 24.641 1.00 0.00 C ATOM 326 CG TYR A 3 -9.674 -3.520 24.456 1.00 0.00 C ATOM 327 CD1 TYR A 3 -10.039 -3.062 23.197 1.00 0.00 C ATOM 328 CD2 TYR A 3 -9.861 -2.673 25.543 1.00 0.00 C ATOM 329 CE1 TYR A 3 -10.572 -1.799 23.024 1.00 0.00 C ATOM 330 CE2 TYR A 3 -10.395 -1.410 25.377 1.00 0.00 C ATOM 331 CZ TYR A 3 -10.749 -0.977 24.117 1.00 0.00 C ATOM 332 OH TYR A 3 -11.281 0.280 23.948 1.00 0.00 O ATOM 0 H TYR A 3 -11.822 -6.465 24.776 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.527 -5.584 23.197 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -8.987 -5.106 25.707 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.086 -4.924 24.215 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -9.904 -3.704 22.339 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -9.585 -3.008 26.532 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -10.849 -1.457 22.038 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -10.535 -0.764 26.231 1.00 0.00 H new ATOM 0 HH TYR A 3 -11.341 0.730 24.817 1.00 0.00 H new ATOM 342 N GLY A 4 -9.580 -8.253 23.140 1.00 0.00 N ATOM 343 CA GLY A 4 -8.804 -9.339 22.569 1.00 0.00 C ATOM 344 C GLY A 4 -8.502 -10.430 23.577 1.00 0.00 C ATOM 345 O GLY A 4 -8.303 -11.587 23.208 1.00 0.00 O ATOM 0 H GLY A 4 -10.561 -8.472 23.313 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.349 -9.767 21.728 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.868 -8.944 22.175 1.00 0.00 H new ATOM 349 N ASN A 5 -8.475 -10.063 24.857 1.00 0.00 N ATOM 350 CA ASN A 5 -8.204 -11.017 25.927 1.00 0.00 C ATOM 351 C ASN A 5 -6.796 -11.603 25.834 1.00 0.00 C ATOM 352 O ASN A 5 -6.443 -12.506 26.592 1.00 0.00 O ATOM 353 CB ASN A 5 -9.233 -12.132 25.871 1.00 0.00 C ATOM 354 CG ASN A 5 -9.463 -12.785 27.220 1.00 0.00 C ATOM 355 OD1 ASN A 5 -9.211 -12.184 28.264 1.00 0.00 O ATOM 356 ND2 ASN A 5 -9.944 -14.022 27.204 1.00 0.00 N ATOM 0 H ASN A 5 -8.638 -9.108 25.177 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.270 -10.487 26.877 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.177 -11.732 25.500 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.905 -12.888 25.157 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.119 -14.512 28.081 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.139 -14.482 26.315 1.00 0.00 H new ATOM 363 N GLY A 6 -5.995 -11.091 24.906 1.00 0.00 N ATOM 364 CA GLY A 6 -4.639 -11.583 24.743 1.00 0.00 C ATOM 365 C GLY A 6 -3.623 -10.461 24.669 1.00 0.00 C ATOM 366 O GLY A 6 -2.929 -10.310 23.663 1.00 0.00 O ATOM 0 H GLY A 6 -6.260 -10.344 24.264 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.391 -12.240 25.577 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.580 -12.184 23.835 1.00 0.00 H new ATOM 370 N VAL A 7 -3.538 -9.673 25.741 1.00 0.00 N ATOM 371 CA VAL A 7 -2.604 -8.551 25.820 1.00 0.00 C ATOM 372 C VAL A 7 -2.533 -7.775 24.501 1.00 0.00 C ATOM 373 O VAL A 7 -3.415 -7.892 23.650 1.00 0.00 O ATOM 374 CB VAL A 7 -1.191 -9.028 26.244 1.00 0.00 C ATOM 375 CG1 VAL A 7 -0.320 -9.388 25.044 1.00 0.00 C ATOM 376 CG2 VAL A 7 -0.508 -7.981 27.115 1.00 0.00 C ATOM 0 H VAL A 7 -4.112 -9.794 26.575 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.984 -7.873 26.585 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.320 -9.938 26.830 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.660 -9.716 25.391 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.793 -10.191 24.479 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.204 -8.514 24.403 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.482 -8.336 27.401 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.412 -7.050 26.557 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.104 -7.808 28.011 1.00 0.00 H new ATOM 386 N SER A 8 -1.480 -6.985 24.347 1.00 0.00 N ATOM 387 CA SER A 8 -1.281 -6.189 23.143 1.00 0.00 C ATOM 388 C SER A 8 -0.148 -6.766 22.298 1.00 0.00 C ATOM 389 O SER A 8 0.206 -7.934 22.443 1.00 0.00 O ATOM 390 CB SER A 8 -0.988 -4.735 23.523 1.00 0.00 C ATOM 391 OG SER A 8 -1.888 -3.849 22.880 1.00 0.00 O ATOM 0 H SER A 8 -0.745 -6.878 25.046 1.00 0.00 H new ATOM 0 HA SER A 8 -2.193 -6.218 22.547 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.065 -4.616 24.604 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.036 -4.483 23.246 1.00 0.00 H new ATOM 0 HG SER A 8 -1.681 -2.927 23.140 1.00 0.00 H new ATOM 397 N CYS A 9 0.418 -5.931 21.425 1.00 0.00 N ATOM 398 CA CYS A 9 1.517 -6.317 20.549 1.00 0.00 C ATOM 399 C CYS A 9 1.416 -7.753 20.046 1.00 0.00 C ATOM 400 O CYS A 9 1.635 -8.712 20.785 1.00 0.00 O ATOM 401 CB CYS A 9 2.854 -6.093 21.239 1.00 0.00 C ATOM 402 SG CYS A 9 2.823 -6.224 23.057 1.00 0.00 S ATOM 0 H CYS A 9 0.122 -4.962 21.308 1.00 0.00 H new ATOM 0 HA CYS A 9 1.446 -5.675 19.671 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.570 -6.817 20.851 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.223 -5.104 20.969 1.00 0.00 H new ATOM 407 N SER A 10 1.113 -7.877 18.763 1.00 0.00 N ATOM 408 CA SER A 10 1.005 -9.177 18.114 1.00 0.00 C ATOM 409 C SER A 10 1.827 -9.185 16.834 1.00 0.00 C ATOM 410 O SER A 10 1.497 -8.495 15.868 1.00 0.00 O ATOM 411 CB SER A 10 -0.452 -9.509 17.802 1.00 0.00 C ATOM 412 OG SER A 10 -1.295 -9.198 18.899 1.00 0.00 O ATOM 0 H SER A 10 0.936 -7.085 18.145 1.00 0.00 H new ATOM 0 HA SER A 10 1.390 -9.936 18.795 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.775 -8.951 16.923 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.543 -10.568 17.559 1.00 0.00 H new ATOM 0 HG SER A 10 -2.222 -9.419 18.672 1.00 0.00 H new ATOM 418 N LYS A 11 2.905 -9.959 16.836 1.00 0.00 N ATOM 419 CA LYS A 11 3.786 -10.047 15.678 1.00 0.00 C ATOM 420 C LYS A 11 4.410 -8.692 15.345 1.00 0.00 C ATOM 421 O LYS A 11 5.078 -8.542 14.322 1.00 0.00 O ATOM 422 CB LYS A 11 2.999 -10.563 14.485 1.00 0.00 C ATOM 423 CG LYS A 11 3.853 -11.277 13.449 1.00 0.00 C ATOM 424 CD LYS A 11 4.155 -10.380 12.260 1.00 0.00 C ATOM 425 CE LYS A 11 3.275 -10.715 11.065 1.00 0.00 C ATOM 426 NZ LYS A 11 4.080 -11.023 9.851 1.00 0.00 N ATOM 0 H LYS A 11 3.191 -10.536 17.627 1.00 0.00 H new ATOM 0 HA LYS A 11 4.597 -10.736 15.915 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.227 -11.246 14.839 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.490 -9.726 14.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.787 -11.601 13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.337 -12.174 13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.004 -9.338 12.542 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.203 -10.486 11.981 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.643 -11.569 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.611 -9.876 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.443 -11.246 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.664 -10.199 9.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.696 -11.840 10.041 1.00 0.00 H new ATOM 440 N THR A 12 4.184 -7.713 16.211 1.00 0.00 N ATOM 441 CA THR A 12 4.713 -6.377 16.015 1.00 0.00 C ATOM 442 C THR A 12 4.926 -5.684 17.363 1.00 0.00 C ATOM 443 O THR A 12 4.436 -6.149 18.392 1.00 0.00 O ATOM 444 CB THR A 12 3.757 -5.586 15.114 1.00 0.00 C ATOM 445 OG1 THR A 12 4.214 -5.602 13.773 1.00 0.00 O ATOM 446 CG2 THR A 12 3.575 -4.136 15.511 1.00 0.00 C ATOM 0 H THR A 12 3.633 -7.825 17.062 1.00 0.00 H new ATOM 0 HA THR A 12 5.685 -6.431 15.525 1.00 0.00 H new ATOM 0 HB THR A 12 2.796 -6.087 15.227 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.612 -6.475 13.574 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.884 -3.654 14.820 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.173 -4.083 16.523 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.538 -3.626 15.476 1.00 0.00 H new ATOM 454 N LYS A 13 5.659 -4.573 17.350 1.00 0.00 N ATOM 455 CA LYS A 13 5.937 -3.819 18.571 1.00 0.00 C ATOM 456 C LYS A 13 4.667 -3.603 19.395 1.00 0.00 C ATOM 457 O LYS A 13 3.560 -3.883 18.933 1.00 0.00 O ATOM 458 CB LYS A 13 6.572 -2.470 18.227 1.00 0.00 C ATOM 459 CG LYS A 13 8.092 -2.488 18.259 1.00 0.00 C ATOM 460 CD LYS A 13 8.664 -3.308 17.114 1.00 0.00 C ATOM 461 CE LYS A 13 10.010 -3.914 17.478 1.00 0.00 C ATOM 462 NZ LYS A 13 11.132 -3.251 16.758 1.00 0.00 N ATOM 0 H LYS A 13 6.072 -4.174 16.507 1.00 0.00 H new ATOM 0 HA LYS A 13 6.635 -4.403 19.171 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.241 -2.165 17.234 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.211 -1.718 18.929 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.470 -1.467 18.201 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.432 -2.901 19.209 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.966 -4.103 16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.775 -2.676 16.233 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.168 -3.828 18.553 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.005 -4.978 17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.032 -3.694 17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.996 -3.355 15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.153 -2.241 17.004 1.00 0.00 H new ATOM 476 N CYS A 14 4.839 -3.104 20.616 1.00 0.00 N ATOM 477 CA CYS A 14 3.712 -2.852 21.510 1.00 0.00 C ATOM 478 C CYS A 14 3.423 -1.357 21.612 1.00 0.00 C ATOM 479 O CYS A 14 3.077 -0.853 22.681 1.00 0.00 O ATOM 480 CB CYS A 14 4.003 -3.429 22.899 1.00 0.00 C ATOM 481 SG CYS A 14 2.597 -4.300 23.664 1.00 0.00 S ATOM 0 H CYS A 14 5.749 -2.866 21.010 1.00 0.00 H new ATOM 0 HA CYS A 14 2.831 -3.343 21.098 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.844 -4.119 22.823 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.314 -2.618 23.558 1.00 0.00 H new ATOM 486 N SER A 15 3.567 -0.655 20.494 1.00 0.00 N ATOM 487 CA SER A 15 3.321 0.782 20.455 1.00 0.00 C ATOM 488 C SER A 15 3.117 1.257 19.021 1.00 0.00 C ATOM 489 O SER A 15 3.582 0.623 18.074 1.00 0.00 O ATOM 490 CB SER A 15 4.487 1.538 21.095 1.00 0.00 C ATOM 491 OG SER A 15 4.034 2.705 21.761 1.00 0.00 O ATOM 0 H SER A 15 3.853 -1.058 19.602 1.00 0.00 H new ATOM 0 HA SER A 15 2.412 0.987 21.020 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.001 0.888 21.803 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.212 1.811 20.328 1.00 0.00 H new ATOM 0 HG SER A 15 4.798 3.169 22.163 1.00 0.00 H new ATOM 497 N VAL A 16 2.421 2.378 18.867 1.00 0.00 N ATOM 498 CA VAL A 16 2.158 2.938 17.546 1.00 0.00 C ATOM 499 C VAL A 16 3.461 3.229 16.806 1.00 0.00 C ATOM 500 O VAL A 16 4.484 3.521 17.423 1.00 0.00 O ATOM 501 CB VAL A 16 1.325 4.232 17.638 1.00 0.00 C ATOM 502 CG1 VAL A 16 2.067 5.294 18.436 1.00 0.00 C ATOM 503 CG2 VAL A 16 0.974 4.744 16.249 1.00 0.00 C ATOM 0 H VAL A 16 2.029 2.917 19.639 1.00 0.00 H new ATOM 0 HA VAL A 16 1.588 2.192 16.991 1.00 0.00 H new ATOM 0 HB VAL A 16 0.396 4.005 18.160 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.461 6.199 18.489 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.257 4.925 19.444 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.015 5.520 17.948 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.386 5.658 16.336 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.890 4.953 15.696 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.394 3.989 15.719 1.00 0.00 H new ATOM 513 N ASN A 17 3.415 3.143 15.481 1.00 0.00 N ATOM 514 CA ASN A 17 4.593 3.395 14.659 1.00 0.00 C ATOM 515 C ASN A 17 4.322 4.499 13.640 1.00 0.00 C ATOM 516 O ASN A 17 4.587 4.338 12.448 1.00 0.00 O ATOM 517 CB ASN A 17 5.020 2.112 13.943 1.00 0.00 C ATOM 518 CG ASN A 17 3.901 1.511 13.114 1.00 0.00 C ATOM 519 OD1 ASN A 17 3.304 2.184 12.275 1.00 0.00 O ATOM 520 ND2 ASN A 17 3.612 0.236 13.348 1.00 0.00 N ATOM 0 H ASN A 17 2.576 2.901 14.954 1.00 0.00 H new ATOM 0 HA ASN A 17 5.400 3.725 15.313 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.872 2.326 13.297 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.354 1.382 14.680 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.869 -0.223 12.822 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.134 -0.284 14.054 1.00 0.00 H new ATOM 527 N TRP A 18 3.791 5.619 14.118 1.00 0.00 N ATOM 528 CA TRP A 18 3.482 6.749 13.252 1.00 0.00 C ATOM 529 C TRP A 18 4.757 7.421 12.752 1.00 0.00 C ATOM 530 O TRP A 18 4.796 7.953 11.644 1.00 0.00 O ATOM 531 CB TRP A 18 2.614 7.765 13.998 1.00 0.00 C ATOM 532 CG TRP A 18 1.971 8.773 13.096 1.00 0.00 C ATOM 533 CD1 TRP A 18 1.183 8.518 12.009 1.00 0.00 C ATOM 534 CD2 TRP A 18 2.058 10.199 13.201 1.00 0.00 C ATOM 535 NE1 TRP A 18 0.777 9.697 11.433 1.00 0.00 N ATOM 536 CE2 TRP A 18 1.301 10.743 12.147 1.00 0.00 C ATOM 537 CE3 TRP A 18 2.704 11.067 14.086 1.00 0.00 C ATOM 538 CZ2 TRP A 18 1.172 12.116 11.955 1.00 0.00 C ATOM 539 CZ3 TRP A 18 2.575 12.430 13.894 1.00 0.00 C ATOM 540 CH2 TRP A 18 1.814 12.943 12.835 1.00 0.00 C ATOM 0 H TRP A 18 3.566 5.768 15.102 1.00 0.00 H new ATOM 0 HA TRP A 18 2.932 6.373 12.389 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.838 7.234 14.549 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.227 8.285 14.734 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.918 7.533 11.654 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.182 9.780 10.608 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.293 10.680 14.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.586 12.514 11.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 3.069 13.111 14.571 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.733 14.013 12.711 1.00 0.00 H new ATOM 551 N GLY A 19 5.799 7.385 13.575 1.00 0.00 N ATOM 552 CA GLY A 19 7.064 7.989 13.199 1.00 0.00 C ATOM 553 C GLY A 19 8.112 6.950 12.858 1.00 0.00 C ATOM 554 O GLY A 19 8.786 7.042 11.829 1.00 0.00 O ATOM 0 H GLY A 19 5.790 6.948 14.497 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.912 8.645 12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.425 8.613 14.017 1.00 0.00 H new ATOM 558 N GLN A 20 8.245 5.948 13.719 1.00 0.00 N ATOM 559 CA GLN A 20 9.210 4.882 13.496 1.00 0.00 C ATOM 560 C GLN A 20 8.988 4.252 12.129 1.00 0.00 C ATOM 561 O GLN A 20 9.865 4.305 11.266 1.00 0.00 O ATOM 562 CB GLN A 20 9.101 3.822 14.595 1.00 0.00 C ATOM 563 CG GLN A 20 10.421 3.529 15.291 1.00 0.00 C ATOM 564 CD GLN A 20 10.505 2.104 15.803 1.00 0.00 C ATOM 565 OE1 GLN A 20 10.696 1.872 16.997 1.00 0.00 O ATOM 566 NE2 GLN A 20 10.364 1.141 14.899 1.00 0.00 N ATOM 0 H GLN A 20 7.698 5.853 14.575 1.00 0.00 H new ATOM 0 HA GLN A 20 10.213 5.308 13.527 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.374 4.153 15.337 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.716 2.899 14.161 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.242 3.711 14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.549 4.219 16.125 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.207 1.380 13.920 1.00 0.00 H new ATOM 0 HE22 GLN A 20 10.413 0.163 15.184 1.00 0.00 H new ATOM 575 N ALA A 21 7.811 3.664 11.925 1.00 0.00 N ATOM 576 CA ALA A 21 7.505 3.048 10.641 1.00 0.00 C ATOM 577 C ALA A 21 7.437 4.065 9.521 1.00 0.00 C ATOM 578 O ALA A 21 7.355 3.715 8.343 1.00 0.00 O ATOM 579 CB ALA A 21 6.247 2.207 10.699 1.00 0.00 C ATOM 0 H ALA A 21 7.067 3.602 12.620 1.00 0.00 H new ATOM 0 HA ALA A 21 8.334 2.377 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.058 1.767 9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.374 1.413 11.435 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.403 2.835 10.984 1.00 0.00 H new ATOM 585 N PHE A 22 7.522 5.317 9.896 1.00 0.00 N ATOM 586 CA PHE A 22 7.527 6.401 8.931 1.00 0.00 C ATOM 587 C PHE A 22 8.839 6.328 8.179 1.00 0.00 C ATOM 588 O PHE A 22 8.895 6.492 6.960 1.00 0.00 O ATOM 589 CB PHE A 22 7.375 7.760 9.619 1.00 0.00 C ATOM 590 CG PHE A 22 6.798 8.823 8.726 1.00 0.00 C ATOM 591 CD1 PHE A 22 7.612 9.533 7.859 1.00 0.00 C ATOM 592 CD2 PHE A 22 5.443 9.109 8.755 1.00 0.00 C ATOM 593 CE1 PHE A 22 7.085 10.509 7.036 1.00 0.00 C ATOM 594 CE2 PHE A 22 4.910 10.087 7.935 1.00 0.00 C ATOM 595 CZ PHE A 22 5.733 10.788 7.074 1.00 0.00 C ATOM 0 H PHE A 22 7.589 5.617 10.868 1.00 0.00 H new ATOM 0 HA PHE A 22 6.683 6.299 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.736 7.646 10.494 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.351 8.088 9.977 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.670 9.321 7.826 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.796 8.563 9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.730 11.054 6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.852 10.303 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.320 11.552 6.432 1.00 0.00 H new ATOM 605 N GLN A 23 9.890 6.023 8.932 1.00 0.00 N ATOM 606 CA GLN A 23 11.216 5.852 8.371 1.00 0.00 C ATOM 607 C GLN A 23 11.301 4.485 7.691 1.00 0.00 C ATOM 608 O GLN A 23 12.126 4.267 6.804 1.00 0.00 O ATOM 609 CB GLN A 23 12.273 5.964 9.475 1.00 0.00 C ATOM 610 CG GLN A 23 12.974 7.313 9.512 1.00 0.00 C ATOM 611 CD GLN A 23 13.084 7.875 10.915 1.00 0.00 C ATOM 612 OE1 GLN A 23 12.277 7.556 11.789 1.00 0.00 O ATOM 613 NE2 GLN A 23 14.087 8.715 11.140 1.00 0.00 N ATOM 0 H GLN A 23 9.843 5.889 9.942 1.00 0.00 H new ATOM 0 HA GLN A 23 11.404 6.633 7.635 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.799 5.784 10.440 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.018 5.181 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 23 13.972 7.211 9.086 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.430 8.018 8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.733 8.952 10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.212 9.124 12.066 1.00 0.00 H new ATOM 622 N GLU A 24 10.427 3.569 8.122 1.00 0.00 N ATOM 623 CA GLU A 24 10.377 2.221 7.569 1.00 0.00 C ATOM 624 C GLU A 24 9.896 2.240 6.122 1.00 0.00 C ATOM 625 O GLU A 24 10.243 1.364 5.329 1.00 0.00 O ATOM 626 CB GLU A 24 9.454 1.334 8.404 1.00 0.00 C ATOM 627 CG GLU A 24 10.077 0.863 9.708 1.00 0.00 C ATOM 628 CD GLU A 24 9.124 0.031 10.543 1.00 0.00 C ATOM 629 OE1 GLU A 24 8.694 -1.039 10.066 1.00 0.00 O ATOM 630 OE2 GLU A 24 8.808 0.451 11.676 1.00 0.00 O ATOM 0 H GLU A 24 9.742 3.744 8.858 1.00 0.00 H new ATOM 0 HA GLU A 24 11.388 1.814 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.539 1.884 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.168 0.464 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.969 0.276 9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.399 1.729 10.286 1.00 0.00 H new ATOM 637 N ARG A 25 9.087 3.242 5.785 1.00 0.00 N ATOM 638 CA ARG A 25 8.548 3.375 4.435 1.00 0.00 C ATOM 639 C ARG A 25 9.655 3.326 3.393 1.00 0.00 C ATOM 640 O ARG A 25 9.484 2.770 2.308 1.00 0.00 O ATOM 641 CB ARG A 25 7.756 4.677 4.306 1.00 0.00 C ATOM 642 CG ARG A 25 8.617 5.931 4.303 1.00 0.00 C ATOM 643 CD ARG A 25 8.859 6.440 2.891 1.00 0.00 C ATOM 644 NE ARG A 25 8.674 7.886 2.794 1.00 0.00 N ATOM 645 CZ ARG A 25 8.438 8.529 1.651 1.00 0.00 C ATOM 646 NH1 ARG A 25 8.363 7.859 0.507 1.00 0.00 N ATOM 647 NH2 ARG A 25 8.278 9.845 1.654 1.00 0.00 N ATOM 0 H ARG A 25 8.790 3.974 6.430 1.00 0.00 H new ATOM 0 HA ARG A 25 7.879 2.534 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.175 4.646 3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.045 4.740 5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.131 6.708 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.572 5.718 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.871 6.182 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.177 5.940 2.203 1.00 0.00 H new ATOM 0 HE ARG A 25 8.729 8.436 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.486 6.847 0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.182 8.357 -0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.336 10.364 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.097 10.339 0.780 1.00 0.00 H new ATOM 661 N TYR A 26 10.792 3.903 3.738 1.00 0.00 N ATOM 662 CA TYR A 26 11.941 3.927 2.846 1.00 0.00 C ATOM 663 C TYR A 26 12.444 2.510 2.595 1.00 0.00 C ATOM 664 O TYR A 26 12.883 2.178 1.493 1.00 0.00 O ATOM 665 CB TYR A 26 13.060 4.783 3.445 1.00 0.00 C ATOM 666 CG TYR A 26 14.290 4.875 2.572 1.00 0.00 C ATOM 667 CD1 TYR A 26 14.414 5.878 1.617 1.00 0.00 C ATOM 668 CD2 TYR A 26 15.329 3.962 2.704 1.00 0.00 C ATOM 669 CE1 TYR A 26 15.539 5.966 0.818 1.00 0.00 C ATOM 670 CE2 TYR A 26 16.457 4.045 1.909 1.00 0.00 C ATOM 671 CZ TYR A 26 16.556 5.048 0.968 1.00 0.00 C ATOM 672 OH TYR A 26 17.677 5.134 0.175 1.00 0.00 O ATOM 0 H TYR A 26 10.946 4.364 4.635 1.00 0.00 H new ATOM 0 HA TYR A 26 11.634 4.365 1.896 1.00 0.00 H new ATOM 0 HB2 TYR A 26 12.679 5.788 3.627 1.00 0.00 H new ATOM 0 HB3 TYR A 26 13.343 4.369 4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 26 13.619 6.599 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.254 3.175 3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 26 15.620 6.750 0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.256 3.328 2.024 1.00 0.00 H new ATOM 0 HH TYR A 26 18.299 4.413 0.408 1.00 0.00 H new ATOM 682 N THR A 27 12.367 1.677 3.627 1.00 0.00 N ATOM 683 CA THR A 27 12.807 0.292 3.526 1.00 0.00 C ATOM 684 C THR A 27 11.893 -0.499 2.599 1.00 0.00 C ATOM 685 O THR A 27 12.359 -1.220 1.718 1.00 0.00 O ATOM 686 CB THR A 27 12.837 -0.358 4.910 1.00 0.00 C ATOM 687 OG1 THR A 27 13.497 0.479 5.843 1.00 0.00 O ATOM 688 CG2 THR A 27 13.535 -1.702 4.926 1.00 0.00 C ATOM 0 H THR A 27 12.003 1.938 4.544 1.00 0.00 H new ATOM 0 HA THR A 27 13.814 0.285 3.109 1.00 0.00 H new ATOM 0 HB THR A 27 11.792 -0.506 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.504 0.047 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.521 -2.107 5.938 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.020 -2.387 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.568 -1.580 4.599 1.00 0.00 H new ATOM 696 N ALA A 28 10.585 -0.357 2.802 1.00 0.00 N ATOM 697 CA ALA A 28 9.603 -1.055 1.981 1.00 0.00 C ATOM 698 C ALA A 28 9.818 -0.760 0.502 1.00 0.00 C ATOM 699 O ALA A 28 9.556 -1.604 -0.355 1.00 0.00 O ATOM 700 CB ALA A 28 8.193 -0.667 2.402 1.00 0.00 C ATOM 0 H ALA A 28 10.182 0.235 3.528 1.00 0.00 H new ATOM 0 HA ALA A 28 9.732 -2.127 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.470 -1.195 1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.039 -0.935 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.060 0.408 2.280 1.00 0.00 H new ATOM 706 N GLY A 29 10.300 0.444 0.209 1.00 0.00 N ATOM 707 CA GLY A 29 10.545 0.829 -1.168 1.00 0.00 C ATOM 708 C GLY A 29 11.666 0.027 -1.799 1.00 0.00 C ATOM 709 O GLY A 29 11.467 -0.636 -2.816 1.00 0.00 O ATOM 0 H GLY A 29 10.525 1.159 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.633 0.693 -1.749 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.793 1.890 -1.208 1.00 0.00 H new ATOM 713 N ILE A 30 12.848 0.088 -1.193 1.00 0.00 N ATOM 714 CA ILE A 30 14.005 -0.640 -1.701 1.00 0.00 C ATOM 715 C ILE A 30 13.781 -2.148 -1.619 1.00 0.00 C ATOM 716 O ILE A 30 14.282 -2.904 -2.449 1.00 0.00 O ATOM 717 CB ILE A 30 15.289 -0.260 -0.928 1.00 0.00 C ATOM 718 CG1 ILE A 30 15.644 1.205 -1.185 1.00 0.00 C ATOM 719 CG2 ILE A 30 16.453 -1.162 -1.319 1.00 0.00 C ATOM 720 CD1 ILE A 30 15.021 2.163 -0.193 1.00 0.00 C ATOM 0 H ILE A 30 13.029 0.634 -0.350 1.00 0.00 H new ATOM 0 HA ILE A 30 14.132 -0.359 -2.746 1.00 0.00 H new ATOM 0 HB ILE A 30 15.098 -0.398 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 30 16.728 1.318 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 30 15.323 1.477 -2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.342 -0.871 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE A 30 16.203 -2.198 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.648 -1.063 -2.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 15.317 3.183 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.935 2.079 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 30 15.362 1.918 0.813 1.00 0.00 H new ATOM 732 N ASN A 31 13.027 -2.578 -0.613 1.00 0.00 N ATOM 733 CA ASN A 31 12.739 -3.997 -0.423 1.00 0.00 C ATOM 734 C ASN A 31 12.164 -4.615 -1.694 1.00 0.00 C ATOM 735 O ASN A 31 12.795 -5.462 -2.325 1.00 0.00 O ATOM 736 CB ASN A 31 11.761 -4.192 0.738 1.00 0.00 C ATOM 737 CG ASN A 31 12.053 -5.449 1.534 1.00 0.00 C ATOM 738 OD1 ASN A 31 13.109 -6.063 1.382 1.00 0.00 O ATOM 739 ND2 ASN A 31 11.115 -5.838 2.390 1.00 0.00 N ATOM 0 H ASN A 31 12.604 -1.965 0.084 1.00 0.00 H new ATOM 0 HA ASN A 31 13.677 -4.500 -0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.809 -3.327 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.744 -4.240 0.349 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.255 -6.676 2.954 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.255 -5.298 2.484 1.00 0.00 H new ATOM 746 N SER A 32 10.963 -4.183 -2.065 1.00 0.00 N ATOM 747 CA SER A 32 10.305 -4.691 -3.263 1.00 0.00 C ATOM 748 C SER A 32 11.158 -4.436 -4.501 1.00 0.00 C ATOM 749 O SER A 32 11.122 -5.204 -5.463 1.00 0.00 O ATOM 750 CB SER A 32 8.931 -4.039 -3.431 1.00 0.00 C ATOM 751 OG SER A 32 7.906 -4.866 -2.904 1.00 0.00 O ATOM 0 H SER A 32 10.426 -3.483 -1.553 1.00 0.00 H new ATOM 0 HA SER A 32 10.176 -5.767 -3.149 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.919 -3.073 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.742 -3.849 -4.487 1.00 0.00 H new ATOM 0 HG SER A 32 7.038 -4.426 -3.022 1.00 0.00 H new ATOM 757 N PHE A 33 11.927 -3.351 -4.469 1.00 0.00 N ATOM 758 CA PHE A 33 12.790 -2.992 -5.586 1.00 0.00 C ATOM 759 C PHE A 33 13.919 -4.011 -5.747 1.00 0.00 C ATOM 760 O PHE A 33 14.192 -4.482 -6.853 1.00 0.00 O ATOM 761 CB PHE A 33 13.351 -1.578 -5.376 1.00 0.00 C ATOM 762 CG PHE A 33 14.737 -1.369 -5.924 1.00 0.00 C ATOM 763 CD1 PHE A 33 14.971 -1.404 -7.289 1.00 0.00 C ATOM 764 CD2 PHE A 33 15.802 -1.138 -5.070 1.00 0.00 C ATOM 765 CE1 PHE A 33 16.244 -1.212 -7.792 1.00 0.00 C ATOM 766 CE2 PHE A 33 17.077 -0.945 -5.565 1.00 0.00 C ATOM 767 CZ PHE A 33 17.299 -0.983 -6.929 1.00 0.00 C ATOM 0 H PHE A 33 11.969 -2.706 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 33 12.202 -3.001 -6.504 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.677 -0.860 -5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.359 -1.359 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.150 -1.583 -7.967 1.00 0.00 H new ATOM 0 HD2 PHE A 33 15.634 -1.108 -4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.414 -1.241 -8.858 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.899 -0.765 -4.888 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.295 -0.834 -7.319 1.00 0.00 H new ATOM 777 N VAL A 34 14.570 -4.349 -4.637 1.00 0.00 N ATOM 778 CA VAL A 34 15.667 -5.310 -4.663 1.00 0.00 C ATOM 779 C VAL A 34 15.227 -6.618 -5.307 1.00 0.00 C ATOM 780 O VAL A 34 15.625 -6.923 -6.429 1.00 0.00 O ATOM 781 CB VAL A 34 16.207 -5.593 -3.245 1.00 0.00 C ATOM 782 CG1 VAL A 34 17.370 -6.577 -3.293 1.00 0.00 C ATOM 783 CG2 VAL A 34 16.625 -4.297 -2.564 1.00 0.00 C ATOM 0 H VAL A 34 14.358 -3.973 -3.713 1.00 0.00 H new ATOM 0 HA VAL A 34 16.466 -4.867 -5.257 1.00 0.00 H new ATOM 0 HB VAL A 34 15.407 -6.046 -2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.733 -6.760 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 17.034 -7.516 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.175 -6.160 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 34 17.003 -4.516 -1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.407 -3.814 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.765 -3.632 -2.488 1.00 0.00 H new ATOM 793 N SER A 35 14.421 -7.400 -4.595 1.00 0.00 N ATOM 794 CA SER A 35 13.962 -8.674 -5.103 1.00 0.00 C ATOM 795 C SER A 35 13.421 -8.568 -6.506 1.00 0.00 C ATOM 796 O SER A 35 13.867 -9.296 -7.392 1.00 0.00 O ATOM 797 CB SER A 35 12.898 -9.274 -4.177 1.00 0.00 C ATOM 798 OG SER A 35 12.283 -8.269 -3.390 1.00 0.00 O ATOM 0 H SER A 35 14.076 -7.167 -3.664 1.00 0.00 H new ATOM 0 HA SER A 35 14.829 -9.334 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.143 -9.789 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.355 -10.020 -3.527 1.00 0.00 H new ATOM 0 HG SER A 35 11.607 -8.676 -2.809 1.00 0.00 H new ATOM 804 N GLY A 36 12.489 -7.660 -6.727 1.00 0.00 N ATOM 805 CA GLY A 36 11.961 -7.499 -8.068 1.00 0.00 C ATOM 806 C GLY A 36 13.064 -7.743 -9.074 1.00 0.00 C ATOM 807 O GLY A 36 12.890 -8.458 -10.061 1.00 0.00 O ATOM 0 H GLY A 36 12.092 -7.041 -6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.141 -8.197 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.555 -6.495 -8.193 1.00 0.00 H new ATOM 811 N VAL A 37 14.226 -7.170 -8.769 1.00 0.00 N ATOM 812 CA VAL A 37 15.409 -7.329 -9.575 1.00 0.00 C ATOM 813 C VAL A 37 16.261 -8.515 -9.110 1.00 0.00 C ATOM 814 O VAL A 37 16.354 -9.538 -9.789 1.00 0.00 O ATOM 815 CB VAL A 37 16.268 -6.048 -9.558 1.00 0.00 C ATOM 816 CG1 VAL A 37 17.500 -6.211 -10.436 1.00 0.00 C ATOM 817 CG2 VAL A 37 15.443 -4.850 -10.004 1.00 0.00 C ATOM 0 H VAL A 37 14.362 -6.581 -7.948 1.00 0.00 H new ATOM 0 HA VAL A 37 15.070 -7.523 -10.592 1.00 0.00 H new ATOM 0 HB VAL A 37 16.604 -5.874 -8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.090 -5.295 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.102 -7.042 -10.068 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.192 -6.413 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.064 -3.954 -9.986 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.076 -5.018 -11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.597 -4.719 -9.329 1.00 0.00 H new ATOM 827 N ALA A 38 16.916 -8.335 -7.959 1.00 0.00 N ATOM 828 CA ALA A 38 17.808 -9.332 -7.391 1.00 0.00 C ATOM 829 C ALA A 38 17.113 -10.415 -6.581 1.00 0.00 C ATOM 830 O ALA A 38 17.014 -11.572 -6.993 1.00 0.00 O ATOM 831 CB ALA A 38 18.858 -8.650 -6.519 1.00 0.00 C ATOM 0 H ALA A 38 16.837 -7.487 -7.398 1.00 0.00 H new ATOM 0 HA ALA A 38 18.265 -9.835 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 38 19.524 -9.402 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.437 -7.953 -7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.365 -8.107 -5.713 1.00 0.00 H new ATOM 837 N SER A 39 16.701 -10.018 -5.386 1.00 0.00 N ATOM 838 CA SER A 39 16.080 -10.903 -4.412 1.00 0.00 C ATOM 839 C SER A 39 14.743 -11.505 -4.866 1.00 0.00 C ATOM 840 O SER A 39 14.062 -12.163 -4.080 1.00 0.00 O ATOM 841 CB SER A 39 15.934 -10.137 -3.102 1.00 0.00 C ATOM 842 OG SER A 39 15.919 -11.017 -1.991 1.00 0.00 O ATOM 0 H SER A 39 16.790 -9.055 -5.061 1.00 0.00 H new ATOM 0 HA SER A 39 16.730 -11.768 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.757 -9.430 -2.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.013 -9.554 -3.120 1.00 0.00 H new ATOM 0 HG SER A 39 15.328 -11.775 -2.182 1.00 0.00 H new ATOM 848 N GLY A 40 14.368 -11.287 -6.127 1.00 0.00 N ATOM 849 CA GLY A 40 13.117 -11.827 -6.627 1.00 0.00 C ATOM 850 C GLY A 40 13.326 -12.815 -7.759 1.00 0.00 C ATOM 851 O GLY A 40 13.311 -14.027 -7.545 1.00 0.00 O ATOM 0 H GLY A 40 14.907 -10.749 -6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.585 -12.319 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.484 -11.010 -6.973 1.00 0.00 H new ATOM 855 N ALA A 41 13.521 -12.295 -8.967 1.00 0.00 N ATOM 856 CA ALA A 41 13.732 -13.136 -10.135 1.00 0.00 C ATOM 857 C ALA A 41 15.105 -13.800 -10.093 1.00 0.00 C ATOM 858 O ALA A 41 16.014 -13.416 -10.828 1.00 0.00 O ATOM 859 CB ALA A 41 13.576 -12.319 -11.409 1.00 0.00 C ATOM 0 H ALA A 41 13.537 -11.294 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 41 12.977 -13.923 -10.127 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.737 -12.961 -12.275 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.571 -11.898 -11.451 1.00 0.00 H new ATOM 0 HB3 ALA A 41 14.308 -11.512 -11.415 1.00 0.00 H new ATOM 865 N GLY A 42 15.246 -14.799 -9.228 1.00 0.00 N ATOM 866 CA GLY A 42 16.511 -15.499 -9.106 1.00 0.00 C ATOM 867 C GLY A 42 16.379 -16.809 -8.354 1.00 0.00 C ATOM 868 O GLY A 42 16.293 -17.876 -8.963 1.00 0.00 O ATOM 0 H GLY A 42 14.508 -15.136 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.912 -15.693 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.229 -14.859 -8.592 1.00 0.00 H new ATOM 872 N SER A 43 16.364 -16.728 -7.027 1.00 0.00 N ATOM 873 CA SER A 43 16.242 -17.916 -6.190 1.00 0.00 C ATOM 874 C SER A 43 14.958 -18.675 -6.501 1.00 0.00 C ATOM 875 O SER A 43 14.967 -19.663 -7.233 1.00 0.00 O ATOM 876 CB SER A 43 16.283 -17.529 -4.709 1.00 0.00 C ATOM 877 OG SER A 43 17.587 -17.132 -4.321 1.00 0.00 O ATOM 0 H SER A 43 16.435 -15.852 -6.509 1.00 0.00 H new ATOM 0 HA SER A 43 17.085 -18.571 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.582 -16.716 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.960 -18.374 -4.100 1.00 0.00 H new ATOM 0 HG SER A 43 17.586 -16.888 -3.372 1.00 0.00 H new ATOM 883 N ILE A 44 13.859 -18.203 -5.936 1.00 0.00 N ATOM 884 CA ILE A 44 12.558 -18.827 -6.143 1.00 0.00 C ATOM 885 C ILE A 44 11.529 -17.806 -6.622 1.00 0.00 C ATOM 886 O ILE A 44 10.464 -17.651 -6.022 1.00 0.00 O ATOM 887 CB ILE A 44 12.048 -19.501 -4.851 1.00 0.00 C ATOM 888 CG1 ILE A 44 10.744 -20.256 -5.119 1.00 0.00 C ATOM 889 CG2 ILE A 44 11.854 -18.466 -3.752 1.00 0.00 C ATOM 890 CD1 ILE A 44 10.931 -21.751 -5.257 1.00 0.00 C ATOM 0 H ILE A 44 13.840 -17.385 -5.327 1.00 0.00 H new ATOM 0 HA ILE A 44 12.687 -19.590 -6.911 1.00 0.00 H new ATOM 0 HB ILE A 44 12.796 -20.220 -4.517 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.045 -20.059 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.290 -19.869 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.494 -18.958 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.804 -17.974 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.125 -17.724 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.967 -22.222 -5.446 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.605 -21.958 -6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.356 -22.151 -4.337 1.00 0.00 H new ATOM 902 N GLY A 45 11.855 -17.110 -7.706 1.00 0.00 N ATOM 903 CA GLY A 45 10.950 -16.113 -8.247 1.00 0.00 C ATOM 904 C GLY A 45 10.047 -16.675 -9.327 1.00 0.00 C ATOM 905 O GLY A 45 9.861 -16.055 -10.375 1.00 0.00 O ATOM 0 H GLY A 45 12.730 -17.219 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.338 -15.707 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.529 -15.285 -8.656 1.00 0.00 H new ATOM 909 N ARG A 46 9.483 -17.851 -9.072 1.00 0.00 N ATOM 910 CA ARG A 46 8.593 -18.495 -10.031 1.00 0.00 C ATOM 911 C ARG A 46 7.211 -17.851 -10.009 1.00 0.00 C ATOM 912 O ARG A 46 6.731 -17.449 -11.090 1.00 0.00 O ATOM 913 CB ARG A 46 8.476 -19.990 -9.724 1.00 0.00 C ATOM 914 CG ARG A 46 9.719 -20.786 -10.094 1.00 0.00 C ATOM 915 CD ARG A 46 9.370 -22.022 -10.907 1.00 0.00 C ATOM 916 NE ARG A 46 10.554 -22.639 -11.500 1.00 0.00 N ATOM 917 CZ ARG A 46 10.513 -23.490 -12.522 1.00 0.00 C ATOM 918 NH1 ARG A 46 9.351 -23.829 -13.067 1.00 0.00 N ATOM 919 NH2 ARG A 46 11.637 -24.005 -13.002 1.00 0.00 N ATOM 920 OXT ARG A 46 6.621 -17.754 -8.913 1.00 0.00 O ATOM 0 H ARG A 46 9.626 -18.377 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 46 9.018 -18.366 -11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.275 -20.120 -8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.620 -20.397 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.400 -20.154 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.245 -21.083 -9.187 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.866 -22.746 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.669 -21.751 -11.696 1.00 0.00 H new ATOM 0 HE ARG A 46 11.466 -22.404 -11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.483 -23.437 -12.702 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.326 -24.482 -13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.533 -23.749 -12.588 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.605 -24.657 -13.785 1.00 0.00 H new TER 934 ARG A 46