USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 68 LYS NZ :NH3+ -159:sc= 0.672 (180deg=0) USER MOD Set 1.2: A 69 TYR OH : rot 180:sc= 0.6 USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.445 K(o=0.86,f=-8.2!) USER MOD Set 2.2: A 79 THR OG1 : rot -132:sc= 1.31 USER MOD Set 3.1: A 59 SER OG : rot 45:sc= 0.0425 USER MOD Set 3.2: A 87 SER OG : rot 47:sc= 0.143 USER MOD Set 4.1: A 7 LYS NZ :NH3+ 145:sc= 0.918 (180deg=0.103) USER MOD Set 4.2: A 74 ASN : amide:sc= -0.988 K(o=-0.07,f=-1.8) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.968 (180deg=0.726) USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= 0.814 (180deg=0.507) USER MOD Single : A 13 TYR OH : rot 110:sc= -0.446 USER MOD Single : A 15 MET CE :methyl 134:sc= -0.776 (180deg=-3.09!) USER MOD Single : A 22 SER OG : rot -19:sc= 0.135 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0.181 (180deg=0.119) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 THR OG1 : rot -150:sc= 0.0395 USER MOD Single : A 41 ASN : amide:sc= -0.173 X(o=-0.17,f=0.013) USER MOD Single : A 43 MET CE :methyl -115:sc= -0.357 (180deg=-2.31!) USER MOD Single : A 44 ASN : amide:sc= -0.475 K(o=-0.47,f=-11!) USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= 0.721 (180deg=-0.298) USER MOD Single : A 49 MET CE :methyl -176:sc= -0.208 (180deg=-0.23) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0258 USER MOD Single : A 56 MET CE :methyl -179:sc= -0.567 (180deg=-0.569) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 42:sc= -0.0134 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -169:sc=0.000639 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 84 LYS NZ :NH3+ -132:sc= 1.39 (180deg=0.709) USER MOD Single : A 101 PNS O33 : rot 180:sc= -0.0526 USER MOD Single : A 101 PNS S44 : rot -59:sc= -4.27! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.056 9.009 -1.282 1.00 0.00 N ATOM 2 CA MET A 1 10.628 8.559 -2.632 1.00 0.00 C ATOM 3 C MET A 1 11.122 7.132 -2.952 1.00 0.00 C ATOM 4 O MET A 1 10.935 6.661 -4.078 1.00 0.00 O ATOM 5 CB MET A 1 11.128 9.568 -3.709 1.00 0.00 C ATOM 6 CG MET A 1 10.244 10.804 -3.892 1.00 0.00 C ATOM 7 SD MET A 1 8.647 10.350 -4.596 1.00 0.00 S ATOM 8 CE MET A 1 7.855 11.941 -4.792 1.00 0.00 C ATOM 0 H1 MET A 1 10.947 10.041 -1.209 1.00 0.00 H new ATOM 0 H2 MET A 1 10.468 8.547 -0.559 1.00 0.00 H new ATOM 0 H3 MET A 1 12.053 8.755 -1.131 1.00 0.00 H new ATOM 0 HA MET A 1 9.538 8.529 -2.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.133 9.894 -3.442 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.205 9.049 -4.665 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.096 11.296 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.743 11.521 -4.544 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.861 11.803 -5.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.769 12.427 -3.820 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.451 12.565 -5.458 1.00 0.00 H new ATOM 20 N ASP A 2 11.735 6.443 -1.967 1.00 0.00 N ATOM 21 CA ASP A 2 12.366 5.115 -2.178 1.00 0.00 C ATOM 22 C ASP A 2 11.526 3.993 -1.564 1.00 0.00 C ATOM 23 O ASP A 2 10.790 4.221 -0.605 1.00 0.00 O ATOM 24 CB ASP A 2 13.812 5.109 -1.615 1.00 0.00 C ATOM 25 CG ASP A 2 14.740 6.047 -2.404 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.618 7.281 -2.249 1.00 0.00 O ATOM 27 OD2 ASP A 2 15.554 5.556 -3.217 1.00 0.00 O ATOM 0 H ASP A 2 11.809 6.785 -1.009 1.00 0.00 H new ATOM 0 HA ASP A 2 12.416 4.929 -3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 2 13.795 5.412 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 2 14.209 4.095 -1.647 1.00 0.00 H new ATOM 32 N GLY A 3 11.686 2.779 -2.133 1.00 0.00 N ATOM 33 CA GLY A 3 10.822 1.621 -1.851 1.00 0.00 C ATOM 34 C GLY A 3 10.650 1.250 -0.381 1.00 0.00 C ATOM 35 O GLY A 3 9.528 0.998 0.055 1.00 0.00 O ATOM 0 H GLY A 3 12.426 2.577 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.836 1.819 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.226 0.756 -2.377 1.00 0.00 H new ATOM 39 N GLU A 4 11.753 1.222 0.382 1.00 0.00 N ATOM 40 CA GLU A 4 11.727 0.868 1.816 1.00 0.00 C ATOM 41 C GLU A 4 10.963 1.926 2.655 1.00 0.00 C ATOM 42 O GLU A 4 10.298 1.587 3.645 1.00 0.00 O ATOM 43 CB GLU A 4 13.170 0.685 2.344 1.00 0.00 C ATOM 44 CG GLU A 4 14.089 1.907 2.149 1.00 0.00 C ATOM 45 CD GLU A 4 15.460 1.732 2.817 1.00 0.00 C ATOM 46 OE1 GLU A 4 16.301 0.986 2.276 1.00 0.00 O ATOM 47 OE2 GLU A 4 15.692 2.319 3.897 1.00 0.00 O ATOM 0 H GLU A 4 12.684 1.442 0.029 1.00 0.00 H new ATOM 0 HA GLU A 4 11.190 -0.075 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.126 0.447 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.619 -0.173 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.229 2.084 1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.601 2.792 2.558 1.00 0.00 H new ATOM 54 N GLU A 5 11.058 3.204 2.234 1.00 0.00 N ATOM 55 CA GLU A 5 10.343 4.322 2.876 1.00 0.00 C ATOM 56 C GLU A 5 8.840 4.208 2.563 1.00 0.00 C ATOM 57 O GLU A 5 8.002 4.358 3.452 1.00 0.00 O ATOM 58 CB GLU A 5 10.882 5.679 2.360 1.00 0.00 C ATOM 59 CG GLU A 5 10.212 6.921 2.999 1.00 0.00 C ATOM 60 CD GLU A 5 10.396 8.207 2.181 1.00 0.00 C ATOM 61 OE1 GLU A 5 9.755 8.323 1.117 1.00 0.00 O ATOM 62 OE2 GLU A 5 11.162 9.101 2.589 1.00 0.00 O ATOM 0 H GLU A 5 11.632 3.488 1.440 1.00 0.00 H new ATOM 0 HA GLU A 5 10.502 4.273 3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.955 5.724 2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.744 5.723 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.146 6.727 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.624 7.073 3.997 1.00 0.00 H new ATOM 69 N VAL A 6 8.541 3.925 1.272 1.00 0.00 N ATOM 70 CA VAL A 6 7.169 3.708 0.760 1.00 0.00 C ATOM 71 C VAL A 6 6.467 2.602 1.564 1.00 0.00 C ATOM 72 O VAL A 6 5.352 2.795 2.056 1.00 0.00 O ATOM 73 CB VAL A 6 7.197 3.333 -0.783 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.810 2.867 -1.314 1.00 0.00 C ATOM 75 CG2 VAL A 6 7.761 4.510 -1.627 1.00 0.00 C ATOM 0 H VAL A 6 9.256 3.840 0.549 1.00 0.00 H new ATOM 0 HA VAL A 6 6.610 4.636 0.878 1.00 0.00 H new ATOM 0 HB VAL A 6 7.868 2.480 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.889 2.624 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.487 1.984 -0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.081 3.666 -1.178 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.771 4.230 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.132 5.390 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.777 4.737 -1.302 1.00 0.00 H new ATOM 85 N LYS A 7 7.170 1.471 1.723 1.00 0.00 N ATOM 86 CA LYS A 7 6.665 0.300 2.449 1.00 0.00 C ATOM 87 C LYS A 7 6.404 0.608 3.931 1.00 0.00 C ATOM 88 O LYS A 7 5.363 0.224 4.449 1.00 0.00 O ATOM 89 CB LYS A 7 7.651 -0.896 2.296 1.00 0.00 C ATOM 90 CG LYS A 7 7.559 -1.578 0.914 1.00 0.00 C ATOM 91 CD LYS A 7 8.472 -2.804 0.744 1.00 0.00 C ATOM 92 CE LYS A 7 9.955 -2.427 0.726 1.00 0.00 C ATOM 93 NZ LYS A 7 10.822 -3.619 0.578 1.00 0.00 N ATOM 0 H LYS A 7 8.110 1.344 1.349 1.00 0.00 H new ATOM 0 HA LYS A 7 5.707 0.026 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.670 -0.543 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.445 -1.632 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.527 -1.883 0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.808 -0.847 0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.288 -3.506 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.219 -3.317 -0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.145 -1.735 -0.095 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.209 -1.905 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.655 -3.373 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 11.130 -3.943 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.290 -4.379 0.107 1.00 0.00 H new ATOM 107 N GLU A 8 7.348 1.307 4.583 1.00 0.00 N ATOM 108 CA GLU A 8 7.240 1.684 5.998 1.00 0.00 C ATOM 109 C GLU A 8 6.042 2.626 6.232 1.00 0.00 C ATOM 110 O GLU A 8 5.314 2.474 7.217 1.00 0.00 O ATOM 111 CB GLU A 8 8.591 2.332 6.438 1.00 0.00 C ATOM 112 CG GLU A 8 8.567 3.110 7.766 1.00 0.00 C ATOM 113 CD GLU A 8 8.321 2.243 9.013 1.00 0.00 C ATOM 114 OE1 GLU A 8 9.270 1.575 9.481 1.00 0.00 O ATOM 115 OE2 GLU A 8 7.180 2.220 9.536 1.00 0.00 O ATOM 0 H GLU A 8 8.209 1.626 4.140 1.00 0.00 H new ATOM 0 HA GLU A 8 7.054 0.800 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.340 1.544 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.920 3.009 5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.517 3.631 7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.790 3.873 7.711 1.00 0.00 H new ATOM 122 N LYS A 9 5.839 3.575 5.314 1.00 0.00 N ATOM 123 CA LYS A 9 4.707 4.506 5.365 1.00 0.00 C ATOM 124 C LYS A 9 3.363 3.755 5.247 1.00 0.00 C ATOM 125 O LYS A 9 2.504 3.869 6.135 1.00 0.00 O ATOM 126 CB LYS A 9 4.847 5.557 4.236 1.00 0.00 C ATOM 127 CG LYS A 9 5.925 6.629 4.493 1.00 0.00 C ATOM 128 CD LYS A 9 6.007 7.656 3.347 1.00 0.00 C ATOM 129 CE LYS A 9 7.037 8.760 3.618 1.00 0.00 C ATOM 130 NZ LYS A 9 6.711 9.544 4.831 1.00 0.00 N ATOM 0 H LYS A 9 6.455 3.720 4.514 1.00 0.00 H new ATOM 0 HA LYS A 9 4.716 5.014 6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.079 5.042 3.304 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.886 6.052 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.706 7.146 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.894 6.146 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.266 7.142 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.026 8.108 3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.025 8.313 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.086 9.428 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.258 10.429 4.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.695 9.765 4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.951 8.990 5.678 1.00 0.00 H new ATOM 144 N ILE A 10 3.212 2.980 4.158 1.00 0.00 N ATOM 145 CA ILE A 10 1.954 2.269 3.844 1.00 0.00 C ATOM 146 C ILE A 10 1.614 1.247 4.930 1.00 0.00 C ATOM 147 O ILE A 10 0.466 1.208 5.395 1.00 0.00 O ATOM 148 CB ILE A 10 2.021 1.556 2.445 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.289 2.602 1.328 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.728 0.745 2.141 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.542 2.012 -0.048 1.00 0.00 C ATOM 0 H ILE A 10 3.952 2.828 3.473 1.00 0.00 H new ATOM 0 HA ILE A 10 1.166 3.021 3.806 1.00 0.00 H new ATOM 0 HB ILE A 10 2.845 0.843 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.434 3.276 1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.151 3.205 1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.818 0.269 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.590 -0.019 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.131 1.416 2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.719 2.816 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.416 1.362 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.673 1.434 -0.361 1.00 0.00 H new ATOM 163 N ARG A 11 2.647 0.477 5.375 1.00 0.00 N ATOM 164 CA ARG A 11 2.481 -0.615 6.352 1.00 0.00 C ATOM 165 C ARG A 11 1.929 -0.033 7.650 1.00 0.00 C ATOM 166 O ARG A 11 1.077 -0.629 8.293 1.00 0.00 O ATOM 167 CB ARG A 11 3.840 -1.376 6.597 1.00 0.00 C ATOM 168 CG ARG A 11 4.883 -0.710 7.546 1.00 0.00 C ATOM 169 CD ARG A 11 4.767 -1.130 9.033 1.00 0.00 C ATOM 170 NE ARG A 11 5.757 -2.146 9.412 1.00 0.00 N ATOM 171 CZ ARG A 11 7.024 -1.888 9.764 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.467 -0.639 9.779 1.00 0.00 N ATOM 173 NH2 ARG A 11 7.824 -2.868 10.122 1.00 0.00 N ATOM 0 H ARG A 11 3.610 0.603 5.062 1.00 0.00 H new ATOM 0 HA ARG A 11 1.778 -1.349 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.605 -2.362 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.317 -1.530 5.629 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.884 -0.954 7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.776 0.373 7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.893 -0.251 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.765 -1.517 9.220 1.00 0.00 H new ATOM 0 HE ARG A 11 5.458 -3.121 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.843 0.126 9.523 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.431 -0.443 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.481 -3.828 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.788 -2.668 10.389 1.00 0.00 H new ATOM 187 N ARG A 12 2.415 1.181 7.969 1.00 0.00 N ATOM 188 CA ARG A 12 2.122 1.873 9.210 1.00 0.00 C ATOM 189 C ARG A 12 0.698 2.414 9.177 1.00 0.00 C ATOM 190 O ARG A 12 0.001 2.343 10.177 1.00 0.00 O ATOM 191 CB ARG A 12 3.174 3.011 9.455 1.00 0.00 C ATOM 192 CG ARG A 12 3.742 3.079 10.885 1.00 0.00 C ATOM 193 CD ARG A 12 4.322 1.726 11.326 1.00 0.00 C ATOM 194 NE ARG A 12 4.993 1.796 12.633 1.00 0.00 N ATOM 195 CZ ARG A 12 5.747 0.819 13.167 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.929 -0.327 12.522 1.00 0.00 N ATOM 197 NH2 ARG A 12 6.332 1.002 14.334 1.00 0.00 N ATOM 0 H ARG A 12 3.033 1.707 7.351 1.00 0.00 H new ATOM 0 HA ARG A 12 2.194 1.175 10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.001 2.876 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.711 3.969 9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.519 3.842 10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.955 3.381 11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.520 0.989 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.032 1.377 10.576 1.00 0.00 H new ATOM 0 HE ARG A 12 4.877 2.652 13.176 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.495 -0.474 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.503 -1.060 12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.213 1.884 14.832 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.904 0.261 14.739 1.00 0.00 H new ATOM 211 N TYR A 13 0.268 2.914 8.001 1.00 0.00 N ATOM 212 CA TYR A 13 -1.097 3.439 7.811 1.00 0.00 C ATOM 213 C TYR A 13 -2.140 2.310 7.928 1.00 0.00 C ATOM 214 O TYR A 13 -3.279 2.544 8.357 1.00 0.00 O ATOM 215 CB TYR A 13 -1.221 4.145 6.450 1.00 0.00 C ATOM 216 CG TYR A 13 -2.544 4.903 6.266 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.835 6.016 7.049 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.491 4.505 5.327 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.015 6.705 6.899 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.670 5.192 5.175 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.930 6.288 5.959 1.00 0.00 C ATOM 222 OH TYR A 13 -6.123 6.955 5.821 1.00 0.00 O ATOM 0 H TYR A 13 0.851 2.965 7.165 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.292 4.167 8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.393 4.845 6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.123 3.404 5.656 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.120 6.345 7.789 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.295 3.642 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.223 7.568 7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.392 4.870 4.439 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.129 7.443 4.971 1.00 0.00 H new ATOM 232 N ILE A 14 -1.733 1.090 7.537 1.00 0.00 N ATOM 233 CA ILE A 14 -2.553 -0.117 7.711 1.00 0.00 C ATOM 234 C ILE A 14 -2.725 -0.412 9.220 1.00 0.00 C ATOM 235 O ILE A 14 -3.781 -0.853 9.657 1.00 0.00 O ATOM 236 CB ILE A 14 -1.922 -1.352 6.963 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.699 -1.027 5.451 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.798 -2.619 7.119 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.722 -1.953 4.747 1.00 0.00 C ATOM 0 H ILE A 14 -0.831 0.915 7.094 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.533 0.060 7.269 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.955 -1.556 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.659 -1.073 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.338 -0.002 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.332 -3.451 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.893 -2.868 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.787 -2.431 6.701 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.627 -1.656 3.703 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.252 -1.891 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.089 -2.978 4.800 1.00 0.00 H new ATOM 251 N MET A 15 -1.677 -0.117 10.003 1.00 0.00 N ATOM 252 CA MET A 15 -1.672 -0.298 11.476 1.00 0.00 C ATOM 253 C MET A 15 -2.396 0.872 12.191 1.00 0.00 C ATOM 254 O MET A 15 -2.897 0.706 13.303 1.00 0.00 O ATOM 255 CB MET A 15 -0.194 -0.394 11.959 1.00 0.00 C ATOM 256 CG MET A 15 0.616 -1.444 11.192 1.00 0.00 C ATOM 257 SD MET A 15 2.397 -1.335 11.436 1.00 0.00 S ATOM 258 CE MET A 15 2.522 -1.738 13.161 1.00 0.00 C ATOM 0 H MET A 15 -0.801 0.256 9.638 1.00 0.00 H new ATOM 0 HA MET A 15 -2.209 -1.213 11.725 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.284 0.579 11.847 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.179 -0.636 13.022 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.280 -2.436 11.494 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.401 -1.345 10.128 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.324 -2.461 13.308 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.739 -0.835 13.731 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.580 -2.166 13.504 1.00 0.00 H new ATOM 268 N GLU A 16 -2.426 2.047 11.523 1.00 0.00 N ATOM 269 CA GLU A 16 -2.991 3.298 12.068 1.00 0.00 C ATOM 270 C GLU A 16 -4.510 3.362 11.845 1.00 0.00 C ATOM 271 O GLU A 16 -5.288 3.235 12.790 1.00 0.00 O ATOM 272 CB GLU A 16 -2.305 4.535 11.398 1.00 0.00 C ATOM 273 CG GLU A 16 -0.855 4.797 11.845 1.00 0.00 C ATOM 274 CD GLU A 16 -0.752 5.178 13.333 1.00 0.00 C ATOM 275 OE1 GLU A 16 -1.426 6.147 13.747 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.023 4.540 14.084 1.00 0.00 O ATOM 0 H GLU A 16 -2.054 2.152 10.579 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.800 3.315 13.141 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.316 4.396 10.317 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.901 5.422 11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.255 3.906 11.660 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.431 5.598 11.239 1.00 0.00 H new ATOM 283 N ASP A 17 -4.915 3.550 10.580 1.00 0.00 N ATOM 284 CA ASP A 17 -6.305 3.900 10.218 1.00 0.00 C ATOM 285 C ASP A 17 -7.197 2.654 10.083 1.00 0.00 C ATOM 286 O ASP A 17 -8.386 2.689 10.427 1.00 0.00 O ATOM 287 CB ASP A 17 -6.300 4.703 8.891 1.00 0.00 C ATOM 288 CG ASP A 17 -7.680 5.256 8.477 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.210 6.135 9.190 1.00 0.00 O ATOM 290 OD2 ASP A 17 -8.226 4.847 7.423 1.00 0.00 O ATOM 0 H ASP A 17 -4.292 3.465 9.777 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.723 4.508 11.021 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.602 5.535 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.925 4.062 8.094 1.00 0.00 H new ATOM 295 N LEU A 18 -6.606 1.554 9.581 1.00 0.00 N ATOM 296 CA LEU A 18 -7.363 0.355 9.161 1.00 0.00 C ATOM 297 C LEU A 18 -7.531 -0.638 10.334 1.00 0.00 C ATOM 298 O LEU A 18 -8.647 -0.880 10.812 1.00 0.00 O ATOM 299 CB LEU A 18 -6.656 -0.321 7.941 1.00 0.00 C ATOM 300 CG LEU A 18 -6.158 0.631 6.793 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.724 -0.183 5.562 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.189 1.729 6.420 1.00 0.00 C ATOM 0 H LEU A 18 -5.597 1.469 9.455 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.362 0.663 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.799 -0.882 8.313 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.346 -1.045 7.507 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.288 1.162 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.383 0.495 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.912 -0.856 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.569 -0.766 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.785 2.352 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.113 1.260 6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.395 2.347 7.294 1.00 0.00 H new ATOM 314 N ILE A 19 -6.405 -1.192 10.796 1.00 0.00 N ATOM 315 CA ILE A 19 -6.368 -2.208 11.873 1.00 0.00 C ATOM 316 C ILE A 19 -6.056 -1.509 13.216 1.00 0.00 C ATOM 317 O ILE A 19 -5.645 -0.345 13.222 1.00 0.00 O ATOM 318 CB ILE A 19 -5.253 -3.298 11.583 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.221 -3.727 10.087 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.420 -4.544 12.487 1.00 0.00 C ATOM 321 CD1 ILE A 19 -4.067 -4.670 9.756 1.00 0.00 C ATOM 0 H ILE A 19 -5.482 -0.951 10.435 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.337 -2.705 11.918 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.300 -2.824 11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.163 -4.214 9.835 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.145 -2.837 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.637 -5.267 12.258 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.345 -4.247 13.533 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.396 -4.996 12.307 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.102 -4.931 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.120 -4.178 9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.154 -5.576 10.356 1.00 0.00 H new ATOM 333 N GLY A 20 -6.251 -2.221 14.341 1.00 0.00 N ATOM 334 CA GLY A 20 -5.852 -1.742 15.663 1.00 0.00 C ATOM 335 C GLY A 20 -4.873 -2.708 16.347 1.00 0.00 C ATOM 336 O GLY A 20 -3.704 -2.759 15.957 1.00 0.00 O ATOM 0 H GLY A 20 -6.689 -3.142 14.352 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.388 -0.760 15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.737 -1.618 16.287 1.00 0.00 H new ATOM 340 N PRO A 21 -5.340 -3.542 17.341 1.00 0.00 N ATOM 341 CA PRO A 21 -4.445 -4.386 18.189 1.00 0.00 C ATOM 342 C PRO A 21 -3.878 -5.623 17.449 1.00 0.00 C ATOM 343 O PRO A 21 -2.852 -6.184 17.858 1.00 0.00 O ATOM 344 CB PRO A 21 -5.369 -4.776 19.375 1.00 0.00 C ATOM 345 CG PRO A 21 -6.759 -4.776 18.803 1.00 0.00 C ATOM 346 CD PRO A 21 -6.774 -3.735 17.690 1.00 0.00 C ATOM 0 HA PRO A 21 -3.543 -3.857 18.496 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.107 -5.756 19.774 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.280 -4.064 20.195 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.018 -5.761 18.415 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.494 -4.533 19.571 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.349 -4.081 16.831 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.230 -2.803 18.024 1.00 0.00 H new ATOM 354 N SER A 22 -4.543 -6.015 16.348 1.00 0.00 N ATOM 355 CA SER A 22 -4.102 -7.126 15.475 1.00 0.00 C ATOM 356 C SER A 22 -2.880 -6.722 14.614 1.00 0.00 C ATOM 357 O SER A 22 -2.266 -7.568 13.952 1.00 0.00 O ATOM 358 CB SER A 22 -5.291 -7.574 14.593 1.00 0.00 C ATOM 359 OG SER A 22 -4.961 -8.661 13.739 1.00 0.00 O ATOM 0 H SER A 22 -5.406 -5.570 16.034 1.00 0.00 H new ATOM 0 HA SER A 22 -3.781 -7.962 16.096 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.125 -7.861 15.233 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.628 -6.732 13.989 1.00 0.00 H new ATOM 0 HG SER A 22 -3.987 -8.721 13.647 1.00 0.00 H new ATOM 365 N ALA A 23 -2.534 -5.430 14.653 1.00 0.00 N ATOM 366 CA ALA A 23 -1.406 -4.863 13.930 1.00 0.00 C ATOM 367 C ALA A 23 -0.444 -4.277 14.941 1.00 0.00 C ATOM 368 O ALA A 23 -0.404 -3.059 15.166 1.00 0.00 O ATOM 369 CB ALA A 23 -1.876 -3.807 12.934 1.00 0.00 C ATOM 0 H ALA A 23 -3.046 -4.740 15.202 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.902 -5.639 13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.016 -3.397 12.405 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.560 -4.262 12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.389 -3.007 13.467 1.00 0.00 H new ATOM 375 N LYS A 24 0.277 -5.180 15.613 1.00 0.00 N ATOM 376 CA LYS A 24 1.338 -4.799 16.536 1.00 0.00 C ATOM 377 C LYS A 24 2.492 -4.173 15.767 1.00 0.00 C ATOM 378 O LYS A 24 2.650 -4.433 14.557 1.00 0.00 O ATOM 379 CB LYS A 24 1.888 -6.015 17.316 1.00 0.00 C ATOM 380 CG LYS A 24 0.847 -6.785 18.129 1.00 0.00 C ATOM 381 CD LYS A 24 1.505 -7.741 19.148 1.00 0.00 C ATOM 382 CE LYS A 24 2.376 -8.843 18.514 1.00 0.00 C ATOM 383 NZ LYS A 24 1.569 -9.838 17.768 1.00 0.00 N ATOM 0 H LYS A 24 0.139 -6.187 15.530 1.00 0.00 H new ATOM 0 HA LYS A 24 0.908 -4.090 17.243 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.355 -6.701 16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.672 -5.671 17.991 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.203 -6.080 18.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.209 -7.356 17.454 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.120 -7.156 19.832 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.723 -8.211 19.745 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.101 -8.387 17.840 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.942 -9.350 19.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.174 -10.637 17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.796 -10.182 18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.170 -9.393 16.917 1.00 0.00 H new ATOM 397 N GLU A 25 3.355 -3.439 16.499 1.00 0.00 N ATOM 398 CA GLU A 25 4.589 -2.849 15.947 1.00 0.00 C ATOM 399 C GLU A 25 5.510 -3.922 15.311 1.00 0.00 C ATOM 400 O GLU A 25 6.427 -3.582 14.572 1.00 0.00 O ATOM 401 CB GLU A 25 5.337 -2.044 17.035 1.00 0.00 C ATOM 402 CG GLU A 25 4.521 -0.880 17.627 1.00 0.00 C ATOM 403 CD GLU A 25 5.344 0.003 18.581 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.178 0.786 18.082 1.00 0.00 O ATOM 405 OE2 GLU A 25 5.180 -0.089 19.819 1.00 0.00 O ATOM 0 H GLU A 25 3.215 -3.239 17.489 1.00 0.00 H new ATOM 0 HA GLU A 25 4.301 -2.165 15.148 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.622 -2.720 17.841 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.259 -1.648 16.610 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.133 -0.265 16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.661 -1.281 18.163 1.00 0.00 H new ATOM 412 N ASP A 26 5.239 -5.217 15.603 1.00 0.00 N ATOM 413 CA ASP A 26 5.878 -6.340 14.921 1.00 0.00 C ATOM 414 C ASP A 26 4.783 -7.297 14.435 1.00 0.00 C ATOM 415 O ASP A 26 4.526 -8.343 15.043 1.00 0.00 O ATOM 416 CB ASP A 26 6.879 -7.059 15.859 1.00 0.00 C ATOM 417 CG ASP A 26 7.745 -8.106 15.134 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.723 -7.707 14.467 1.00 0.00 O ATOM 419 OD2 ASP A 26 7.454 -9.326 15.223 1.00 0.00 O ATOM 0 H ASP A 26 4.570 -5.499 16.319 1.00 0.00 H new ATOM 0 HA ASP A 26 6.450 -5.978 14.066 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.529 -6.317 16.323 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.328 -7.547 16.663 1.00 0.00 H new ATOM 424 N GLU A 27 4.047 -6.855 13.406 1.00 0.00 N ATOM 425 CA GLU A 27 3.062 -7.697 12.707 1.00 0.00 C ATOM 426 C GLU A 27 3.137 -7.448 11.194 1.00 0.00 C ATOM 427 O GLU A 27 3.273 -8.383 10.403 1.00 0.00 O ATOM 428 CB GLU A 27 1.604 -7.458 13.244 1.00 0.00 C ATOM 429 CG GLU A 27 1.228 -8.271 14.509 1.00 0.00 C ATOM 430 CD GLU A 27 1.033 -9.790 14.304 1.00 0.00 C ATOM 431 OE1 GLU A 27 1.451 -10.350 13.267 1.00 0.00 O ATOM 432 OE2 GLU A 27 0.462 -10.428 15.210 1.00 0.00 O ATOM 0 H GLU A 27 4.116 -5.908 13.035 1.00 0.00 H new ATOM 0 HA GLU A 27 3.309 -8.740 12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.484 -6.397 13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.897 -7.701 12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.007 -8.122 15.257 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.307 -7.859 14.921 1.00 0.00 H new ATOM 439 N LEU A 28 3.041 -6.166 10.802 1.00 0.00 N ATOM 440 CA LEU A 28 3.103 -5.747 9.390 1.00 0.00 C ATOM 441 C LEU A 28 4.562 -5.603 8.945 1.00 0.00 C ATOM 442 O LEU A 28 5.386 -5.015 9.656 1.00 0.00 O ATOM 443 CB LEU A 28 2.300 -4.418 9.159 1.00 0.00 C ATOM 444 CG LEU A 28 0.745 -4.567 9.018 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.382 -5.369 7.760 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.107 -5.195 10.273 1.00 0.00 C ATOM 0 H LEU A 28 2.918 -5.391 11.454 1.00 0.00 H new ATOM 0 HA LEU A 28 2.634 -6.518 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.506 -3.744 9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.682 -3.939 8.258 1.00 0.00 H new ATOM 0 HG LEU A 28 0.334 -3.562 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.702 -5.458 7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.765 -4.856 6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.824 -6.363 7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.970 -5.279 10.130 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.529 -6.186 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.310 -4.565 11.139 1.00 0.00 H new ATOM 458 N ASP A 29 4.848 -6.150 7.760 1.00 0.00 N ATOM 459 CA ASP A 29 6.191 -6.180 7.149 1.00 0.00 C ATOM 460 C ASP A 29 6.081 -6.209 5.621 1.00 0.00 C ATOM 461 O ASP A 29 4.976 -6.220 5.058 1.00 0.00 O ATOM 462 CB ASP A 29 7.019 -7.413 7.657 1.00 0.00 C ATOM 463 CG ASP A 29 7.837 -7.084 8.917 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.936 -6.508 8.774 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.379 -7.362 10.041 1.00 0.00 O ATOM 0 H ASP A 29 4.138 -6.597 7.180 1.00 0.00 H new ATOM 0 HA ASP A 29 6.716 -5.273 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.342 -8.240 7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.691 -7.748 6.867 1.00 0.00 H new ATOM 470 N ASP A 30 7.259 -6.253 4.985 1.00 0.00 N ATOM 471 CA ASP A 30 7.432 -6.138 3.535 1.00 0.00 C ATOM 472 C ASP A 30 6.756 -7.305 2.803 1.00 0.00 C ATOM 473 O ASP A 30 6.108 -7.112 1.774 1.00 0.00 O ATOM 474 CB ASP A 30 8.951 -6.110 3.190 1.00 0.00 C ATOM 475 CG ASP A 30 9.764 -5.111 4.034 1.00 0.00 C ATOM 476 OD1 ASP A 30 10.030 -5.411 5.221 1.00 0.00 O ATOM 477 OD2 ASP A 30 10.143 -4.039 3.529 1.00 0.00 O ATOM 0 H ASP A 30 8.142 -6.373 5.481 1.00 0.00 H new ATOM 0 HA ASP A 30 6.962 -5.211 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.364 -7.109 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.070 -5.861 2.136 1.00 0.00 H new ATOM 482 N GLN A 31 6.889 -8.516 3.365 1.00 0.00 N ATOM 483 CA GLN A 31 6.473 -9.765 2.699 1.00 0.00 C ATOM 484 C GLN A 31 5.235 -10.359 3.384 1.00 0.00 C ATOM 485 O GLN A 31 4.846 -11.497 3.096 1.00 0.00 O ATOM 486 CB GLN A 31 7.645 -10.790 2.678 1.00 0.00 C ATOM 487 CG GLN A 31 8.924 -10.274 1.993 1.00 0.00 C ATOM 488 CD GLN A 31 10.002 -11.344 1.794 1.00 0.00 C ATOM 489 OE1 GLN A 31 10.126 -12.282 2.584 1.00 0.00 O ATOM 490 NE2 GLN A 31 10.773 -11.220 0.720 1.00 0.00 N ATOM 0 H GLN A 31 7.287 -8.660 4.293 1.00 0.00 H new ATOM 0 HA GLN A 31 6.207 -9.533 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.884 -11.072 3.703 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.313 -11.694 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.660 -9.855 1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.340 -9.461 2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.643 -10.431 0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.495 -11.914 0.528 1.00 0.00 H new ATOM 499 N THR A 32 4.634 -9.575 4.297 1.00 0.00 N ATOM 500 CA THR A 32 3.397 -9.939 4.977 1.00 0.00 C ATOM 501 C THR A 32 2.252 -10.134 3.947 1.00 0.00 C ATOM 502 O THR A 32 1.984 -9.225 3.155 1.00 0.00 O ATOM 503 CB THR A 32 3.020 -8.841 6.013 1.00 0.00 C ATOM 504 OG1 THR A 32 4.028 -8.766 7.024 1.00 0.00 O ATOM 505 CG2 THR A 32 1.654 -9.073 6.677 1.00 0.00 C ATOM 0 H THR A 32 5.003 -8.667 4.579 1.00 0.00 H new ATOM 0 HA THR A 32 3.546 -10.881 5.504 1.00 0.00 H new ATOM 0 HB THR A 32 2.952 -7.904 5.461 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.623 -8.477 7.868 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.454 -8.271 7.388 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.876 -9.084 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.662 -10.029 7.201 1.00 0.00 H new ATOM 513 N PRO A 33 1.593 -11.339 3.930 1.00 0.00 N ATOM 514 CA PRO A 33 0.470 -11.620 3.017 1.00 0.00 C ATOM 515 C PRO A 33 -0.789 -10.815 3.413 1.00 0.00 C ATOM 516 O PRO A 33 -1.677 -11.311 4.104 1.00 0.00 O ATOM 517 CB PRO A 33 0.273 -13.150 3.162 1.00 0.00 C ATOM 518 CG PRO A 33 0.767 -13.473 4.545 1.00 0.00 C ATOM 519 CD PRO A 33 1.907 -12.508 4.805 1.00 0.00 C ATOM 0 HA PRO A 33 0.662 -11.326 1.985 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.774 -13.427 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.836 -13.695 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.026 -13.351 5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.106 -14.507 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.955 -12.220 5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.871 -12.950 4.551 1.00 0.00 H new ATOM 527 N LEU A 34 -0.822 -9.555 2.958 1.00 0.00 N ATOM 528 CA LEU A 34 -1.837 -8.562 3.343 1.00 0.00 C ATOM 529 C LEU A 34 -3.256 -9.026 2.967 1.00 0.00 C ATOM 530 O LEU A 34 -4.184 -9.001 3.786 1.00 0.00 O ATOM 531 CB LEU A 34 -1.531 -7.214 2.642 1.00 0.00 C ATOM 532 CG LEU A 34 -0.092 -6.636 2.834 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.083 -5.318 2.065 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.261 -6.465 4.322 1.00 0.00 C ATOM 0 H LEU A 34 -0.133 -9.190 2.301 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.798 -8.442 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.709 -7.338 1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.246 -6.474 3.001 1.00 0.00 H new ATOM 0 HG LEU A 34 0.607 -7.362 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.094 -4.939 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.083 -5.492 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.637 -4.586 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.269 -6.061 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.448 -5.780 4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.212 -7.433 4.821 1.00 0.00 H new ATOM 546 N LEU A 35 -3.395 -9.467 1.715 1.00 0.00 N ATOM 547 CA LEU A 35 -4.690 -9.841 1.138 1.00 0.00 C ATOM 548 C LEU A 35 -5.205 -11.171 1.739 1.00 0.00 C ATOM 549 O LEU A 35 -6.416 -11.383 1.849 1.00 0.00 O ATOM 550 CB LEU A 35 -4.567 -9.939 -0.397 1.00 0.00 C ATOM 551 CG LEU A 35 -5.912 -9.938 -1.177 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.674 -8.603 -0.973 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.679 -10.245 -2.665 1.00 0.00 C ATOM 0 H LEU A 35 -2.612 -9.575 1.071 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.419 -9.069 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.962 -9.104 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.025 -10.852 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.543 -10.731 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.611 -8.630 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.886 -8.463 0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.062 -7.776 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.633 -10.239 -3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.023 -9.488 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.215 -11.226 -2.766 1.00 0.00 H new ATOM 565 N GLU A 36 -4.253 -12.040 2.139 1.00 0.00 N ATOM 566 CA GLU A 36 -4.547 -13.311 2.831 1.00 0.00 C ATOM 567 C GLU A 36 -5.162 -13.025 4.209 1.00 0.00 C ATOM 568 O GLU A 36 -6.129 -13.674 4.622 1.00 0.00 O ATOM 569 CB GLU A 36 -3.248 -14.141 2.995 1.00 0.00 C ATOM 570 CG GLU A 36 -3.430 -15.513 3.683 1.00 0.00 C ATOM 571 CD GLU A 36 -4.256 -16.488 2.833 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.676 -17.162 1.955 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.495 -16.573 3.018 1.00 0.00 O ATOM 0 H GLU A 36 -3.257 -11.879 1.990 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.258 -13.882 2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.811 -14.301 2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.531 -13.555 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.451 -15.949 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.919 -15.371 4.647 1.00 0.00 H new ATOM 580 N TRP A 37 -4.598 -12.009 4.888 1.00 0.00 N ATOM 581 CA TRP A 37 -5.092 -11.525 6.193 1.00 0.00 C ATOM 582 C TRP A 37 -6.474 -10.842 6.029 1.00 0.00 C ATOM 583 O TRP A 37 -7.239 -10.735 6.994 1.00 0.00 O ATOM 584 CB TRP A 37 -4.069 -10.533 6.825 1.00 0.00 C ATOM 585 CG TRP A 37 -2.772 -11.151 7.312 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.200 -12.332 6.918 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.887 -10.596 8.298 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.024 -12.535 7.591 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.813 -11.491 8.448 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.909 -9.426 9.068 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.232 -11.258 9.338 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.869 -9.193 9.953 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.190 -10.105 10.080 1.00 0.00 C ATOM 0 H TRP A 37 -3.784 -11.498 4.547 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.205 -12.380 6.859 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.831 -9.766 6.088 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.549 -10.030 7.665 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.616 -13.005 6.183 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.405 -13.337 7.472 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.721 -8.720 8.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.046 -11.960 9.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.873 -8.296 10.554 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.988 -9.895 10.776 1.00 0.00 H new ATOM 604 N GLY A 38 -6.778 -10.406 4.785 1.00 0.00 N ATOM 605 CA GLY A 38 -8.049 -9.752 4.454 1.00 0.00 C ATOM 606 C GLY A 38 -8.138 -8.339 4.997 1.00 0.00 C ATOM 607 O GLY A 38 -9.233 -7.809 5.198 1.00 0.00 O ATOM 0 H GLY A 38 -6.146 -10.501 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.170 -9.729 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.872 -10.343 4.854 1.00 0.00 H new ATOM 611 N ILE A 39 -6.965 -7.738 5.220 1.00 0.00 N ATOM 612 CA ILE A 39 -6.829 -6.386 5.779 1.00 0.00 C ATOM 613 C ILE A 39 -6.912 -5.316 4.676 1.00 0.00 C ATOM 614 O ILE A 39 -6.960 -4.123 4.974 1.00 0.00 O ATOM 615 CB ILE A 39 -5.500 -6.248 6.601 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.245 -6.413 5.684 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.488 -7.270 7.772 1.00 0.00 C ATOM 618 CD1 ILE A 39 -2.913 -6.340 6.406 1.00 0.00 C ATOM 0 H ILE A 39 -6.070 -8.182 5.015 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.663 -6.223 6.461 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.457 -5.244 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.312 -7.372 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.269 -5.639 4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.561 -7.166 8.336 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.336 -7.080 8.429 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.558 -8.282 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.103 -6.465 5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.817 -5.371 6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.861 -7.131 7.154 1.00 0.00 H new ATOM 630 N LEU A 40 -6.866 -5.760 3.397 1.00 0.00 N ATOM 631 CA LEU A 40 -7.029 -4.877 2.227 1.00 0.00 C ATOM 632 C LEU A 40 -8.391 -5.166 1.581 1.00 0.00 C ATOM 633 O LEU A 40 -8.582 -6.203 0.934 1.00 0.00 O ATOM 634 CB LEU A 40 -5.896 -5.098 1.182 1.00 0.00 C ATOM 635 CG LEU A 40 -4.423 -4.948 1.677 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.445 -5.021 0.486 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.217 -3.654 2.504 1.00 0.00 C ATOM 0 H LEU A 40 -6.715 -6.739 3.152 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.974 -3.841 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.011 -6.099 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.050 -4.394 0.364 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.210 -5.782 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.422 -4.915 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.554 -5.982 -0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.667 -4.218 -0.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.178 -3.591 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.459 -2.787 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.869 -3.673 3.377 1.00 0.00 H new ATOM 649 N ASN A 41 -9.340 -4.250 1.806 1.00 0.00 N ATOM 650 CA ASN A 41 -10.725 -4.348 1.283 1.00 0.00 C ATOM 651 C ASN A 41 -11.123 -3.008 0.649 1.00 0.00 C ATOM 652 O ASN A 41 -10.466 -1.994 0.886 1.00 0.00 O ATOM 653 CB ASN A 41 -11.715 -4.719 2.423 1.00 0.00 C ATOM 654 CG ASN A 41 -11.438 -6.069 3.102 1.00 0.00 C ATOM 655 OD1 ASN A 41 -11.558 -6.187 4.319 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.122 -7.100 2.327 1.00 0.00 N ATOM 0 H ASN A 41 -9.176 -3.409 2.360 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.767 -5.134 0.529 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.686 -3.935 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.726 -4.733 2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.972 -8.021 2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.029 -6.971 1.319 1.00 0.00 H new ATOM 663 N SER A 42 -12.243 -3.022 -0.094 1.00 0.00 N ATOM 664 CA SER A 42 -12.660 -1.921 -0.990 1.00 0.00 C ATOM 665 C SER A 42 -12.741 -0.544 -0.288 1.00 0.00 C ATOM 666 O SER A 42 -12.299 0.469 -0.846 1.00 0.00 O ATOM 667 CB SER A 42 -14.020 -2.293 -1.639 1.00 0.00 C ATOM 668 OG SER A 42 -14.447 -1.401 -2.685 1.00 0.00 O ATOM 0 H SER A 42 -12.895 -3.807 -0.092 1.00 0.00 H new ATOM 0 HA SER A 42 -11.890 -1.809 -1.753 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.950 -3.302 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.785 -2.314 -0.863 1.00 0.00 H new ATOM 673 N MET A 43 -13.250 -0.519 0.953 1.00 0.00 N ATOM 674 CA MET A 43 -13.496 0.743 1.678 1.00 0.00 C ATOM 675 C MET A 43 -12.229 1.297 2.348 1.00 0.00 C ATOM 676 O MET A 43 -12.105 2.506 2.505 1.00 0.00 O ATOM 677 CB MET A 43 -14.631 0.558 2.714 1.00 0.00 C ATOM 678 CG MET A 43 -16.005 0.198 2.112 1.00 0.00 C ATOM 679 SD MET A 43 -16.835 1.580 1.280 1.00 0.00 S ATOM 680 CE MET A 43 -16.136 1.579 -0.377 1.00 0.00 C ATOM 0 H MET A 43 -13.500 -1.357 1.478 1.00 0.00 H new ATOM 0 HA MET A 43 -13.806 1.482 0.939 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.340 -0.225 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.732 1.478 3.289 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.875 -0.616 1.399 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.651 -0.175 2.907 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.568 2.496 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.476 0.719 -0.493 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.940 1.521 -1.111 1.00 0.00 H new ATOM 690 N ASN A 44 -11.300 0.417 2.753 1.00 0.00 N ATOM 691 CA ASN A 44 -10.068 0.847 3.458 1.00 0.00 C ATOM 692 C ASN A 44 -8.946 1.200 2.462 1.00 0.00 C ATOM 693 O ASN A 44 -8.095 2.057 2.739 1.00 0.00 O ATOM 694 CB ASN A 44 -9.591 -0.211 4.498 1.00 0.00 C ATOM 695 CG ASN A 44 -9.042 -1.530 3.950 1.00 0.00 C ATOM 696 OD1 ASN A 44 -8.400 -1.616 2.909 1.00 0.00 O ATOM 697 ND2 ASN A 44 -9.262 -2.579 4.692 1.00 0.00 N ATOM 0 H ASN A 44 -11.371 -0.590 2.609 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.317 1.751 4.013 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.818 0.246 5.115 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.430 -0.441 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.898 -3.489 4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.798 -2.490 5.555 1.00 0.00 H new ATOM 704 N ILE A 45 -8.971 0.524 1.295 1.00 0.00 N ATOM 705 CA ILE A 45 -7.898 0.595 0.287 1.00 0.00 C ATOM 706 C ILE A 45 -7.909 1.941 -0.456 1.00 0.00 C ATOM 707 O ILE A 45 -6.896 2.355 -1.017 1.00 0.00 O ATOM 708 CB ILE A 45 -8.003 -0.602 -0.728 1.00 0.00 C ATOM 709 CG1 ILE A 45 -6.679 -0.773 -1.531 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.221 -0.432 -1.674 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.585 -2.072 -2.308 1.00 0.00 C ATOM 0 H ILE A 45 -9.741 -0.089 1.026 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.947 0.516 0.814 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.161 -1.514 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.579 0.061 -2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.838 -0.715 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.267 -1.275 -2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.137 -0.396 -1.085 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.116 0.494 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.633 -2.111 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.651 -2.914 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.403 -2.126 -3.026 1.00 0.00 H new ATOM 723 N VAL A 46 -9.066 2.612 -0.450 1.00 0.00 N ATOM 724 CA VAL A 46 -9.199 3.951 -1.022 1.00 0.00 C ATOM 725 C VAL A 46 -8.508 4.991 -0.119 1.00 0.00 C ATOM 726 O VAL A 46 -7.947 5.970 -0.622 1.00 0.00 O ATOM 727 CB VAL A 46 -10.698 4.321 -1.286 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.309 3.335 -2.304 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.531 4.377 0.021 1.00 0.00 C ATOM 0 H VAL A 46 -9.929 2.243 -0.051 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.699 3.957 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.727 5.326 -1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.352 3.597 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.755 3.389 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.253 2.321 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.563 4.637 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.506 3.403 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.111 5.130 0.688 1.00 0.00 H new ATOM 739 N LYS A 47 -8.519 4.741 1.215 1.00 0.00 N ATOM 740 CA LYS A 47 -7.745 5.545 2.171 1.00 0.00 C ATOM 741 C LYS A 47 -6.247 5.265 2.000 1.00 0.00 C ATOM 742 O LYS A 47 -5.417 6.148 2.245 1.00 0.00 O ATOM 743 CB LYS A 47 -8.194 5.339 3.648 1.00 0.00 C ATOM 744 CG LYS A 47 -9.528 6.055 4.001 1.00 0.00 C ATOM 745 CD LYS A 47 -10.770 5.149 3.893 1.00 0.00 C ATOM 746 CE LYS A 47 -10.890 4.172 5.076 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.975 4.879 6.383 1.00 0.00 N ATOM 0 H LYS A 47 -9.057 3.988 1.644 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.942 6.593 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.303 4.272 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.410 5.704 4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.462 6.445 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.656 6.911 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.665 5.769 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.724 4.584 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.775 3.550 4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.029 3.504 5.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.630 4.371 7.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.032 4.913 6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.322 5.848 6.232 1.00 0.00 H new ATOM 761 N LEU A 48 -5.910 4.029 1.583 1.00 0.00 N ATOM 762 CA LEU A 48 -4.539 3.666 1.209 1.00 0.00 C ATOM 763 C LEU A 48 -4.107 4.425 -0.051 1.00 0.00 C ATOM 764 O LEU A 48 -3.026 4.987 -0.073 1.00 0.00 O ATOM 765 CB LEU A 48 -4.397 2.128 1.021 1.00 0.00 C ATOM 766 CG LEU A 48 -4.443 1.306 2.338 1.00 0.00 C ATOM 767 CD1 LEU A 48 -4.621 -0.202 2.064 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.183 1.591 3.194 1.00 0.00 C ATOM 0 H LEU A 48 -6.578 3.263 1.498 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.875 3.957 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.195 1.781 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.454 1.923 0.514 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.317 1.623 2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.648 -0.743 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.554 -0.366 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.786 -0.564 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.229 1.008 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.291 1.313 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.142 2.652 3.439 1.00 0.00 H new ATOM 780 N MET A 49 -4.977 4.479 -1.076 1.00 0.00 N ATOM 781 CA MET A 49 -4.629 5.120 -2.367 1.00 0.00 C ATOM 782 C MET A 49 -4.447 6.645 -2.236 1.00 0.00 C ATOM 783 O MET A 49 -3.572 7.222 -2.899 1.00 0.00 O ATOM 784 CB MET A 49 -5.686 4.800 -3.450 1.00 0.00 C ATOM 785 CG MET A 49 -5.671 3.343 -3.929 1.00 0.00 C ATOM 786 SD MET A 49 -6.706 3.091 -5.378 1.00 0.00 S ATOM 787 CE MET A 49 -8.329 3.431 -4.727 1.00 0.00 C ATOM 0 H MET A 49 -5.920 4.091 -1.041 1.00 0.00 H new ATOM 0 HA MET A 49 -3.671 4.700 -2.673 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.676 5.031 -3.056 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.523 5.454 -4.306 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.647 3.050 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.014 2.694 -3.123 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.077 3.244 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.521 2.784 -3.871 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.384 4.473 -4.413 1.00 0.00 H new ATOM 797 N VAL A 50 -5.283 7.288 -1.395 1.00 0.00 N ATOM 798 CA VAL A 50 -5.169 8.733 -1.120 1.00 0.00 C ATOM 799 C VAL A 50 -3.932 9.020 -0.241 1.00 0.00 C ATOM 800 O VAL A 50 -3.345 10.108 -0.316 1.00 0.00 O ATOM 801 CB VAL A 50 -6.462 9.346 -0.464 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.695 9.156 -1.384 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.708 8.771 0.950 1.00 0.00 C ATOM 0 H VAL A 50 -6.044 6.828 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.051 9.222 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.301 10.418 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.575 9.588 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.518 9.653 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.861 8.092 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.609 9.217 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.833 7.690 0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.856 9.000 1.589 1.00 0.00 H new ATOM 813 N TYR A 51 -3.553 8.028 0.582 1.00 0.00 N ATOM 814 CA TYR A 51 -2.334 8.078 1.393 1.00 0.00 C ATOM 815 C TYR A 51 -1.104 8.102 0.470 1.00 0.00 C ATOM 816 O TYR A 51 -0.238 8.961 0.590 1.00 0.00 O ATOM 817 CB TYR A 51 -2.273 6.842 2.316 1.00 0.00 C ATOM 818 CG TYR A 51 -1.063 6.829 3.252 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.012 7.671 4.363 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.022 5.983 3.018 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.071 7.660 5.216 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.106 5.975 3.864 1.00 0.00 C ATOM 823 CZ TYR A 51 1.126 6.812 4.962 1.00 0.00 C ATOM 824 OH TYR A 51 2.202 6.789 5.817 1.00 0.00 O ATOM 0 H TYR A 51 -4.088 7.168 0.701 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.342 8.980 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.183 6.801 2.914 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.255 5.942 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.835 8.343 4.558 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.010 5.326 2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.092 8.312 6.077 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.939 5.316 3.670 1.00 0.00 H new ATOM 0 HH TYR A 51 1.905 7.014 6.723 1.00 0.00 H new ATOM 834 N ILE A 52 -1.077 7.129 -0.447 1.00 0.00 N ATOM 835 CA ILE A 52 0.022 6.910 -1.403 1.00 0.00 C ATOM 836 C ILE A 52 0.181 8.072 -2.412 1.00 0.00 C ATOM 837 O ILE A 52 1.311 8.448 -2.755 1.00 0.00 O ATOM 838 CB ILE A 52 -0.205 5.533 -2.129 1.00 0.00 C ATOM 839 CG1 ILE A 52 -0.156 4.370 -1.071 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.797 5.289 -3.287 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.951 3.142 -1.457 1.00 0.00 C ATOM 0 H ILE A 52 -1.835 6.454 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 52 0.960 6.881 -0.849 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.191 5.559 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.883 4.081 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.530 4.745 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.591 4.324 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.692 6.078 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.814 5.294 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.863 2.390 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.999 3.412 -1.584 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.564 2.738 -2.392 1.00 0.00 H new ATOM 853 N ARG A 53 -0.944 8.644 -2.882 1.00 0.00 N ATOM 854 CA ARG A 53 -0.896 9.812 -3.800 1.00 0.00 C ATOM 855 C ARG A 53 -0.316 11.051 -3.092 1.00 0.00 C ATOM 856 O ARG A 53 0.207 11.956 -3.743 1.00 0.00 O ATOM 857 CB ARG A 53 -2.290 10.091 -4.448 1.00 0.00 C ATOM 858 CG ARG A 53 -3.375 10.676 -3.514 1.00 0.00 C ATOM 859 CD ARG A 53 -3.366 12.215 -3.435 1.00 0.00 C ATOM 860 NE ARG A 53 -4.138 12.718 -2.290 1.00 0.00 N ATOM 861 CZ ARG A 53 -5.002 13.746 -2.326 1.00 0.00 C ATOM 862 NH1 ARG A 53 -5.234 14.393 -3.467 1.00 0.00 N ATOM 863 NH2 ARG A 53 -5.610 14.135 -1.225 1.00 0.00 N ATOM 0 H ARG A 53 -1.885 8.327 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.219 9.568 -4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.148 10.779 -5.281 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.666 9.157 -4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.355 10.345 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.236 10.270 -2.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.337 12.567 -3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.777 12.627 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.007 12.248 -1.394 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.754 14.109 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.891 15.173 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.425 13.656 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.266 14.916 -1.253 1.00 0.00 H new ATOM 877 N ASP A 54 -0.456 11.081 -1.758 1.00 0.00 N ATOM 878 CA ASP A 54 0.048 12.173 -0.911 1.00 0.00 C ATOM 879 C ASP A 54 1.552 11.981 -0.620 1.00 0.00 C ATOM 880 O ASP A 54 2.372 12.866 -0.888 1.00 0.00 O ATOM 881 CB ASP A 54 -0.762 12.217 0.413 1.00 0.00 C ATOM 882 CG ASP A 54 -0.283 13.304 1.391 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.636 14.483 1.190 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.443 12.990 2.361 1.00 0.00 O ATOM 0 H ASP A 54 -0.925 10.343 -1.233 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.076 13.120 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.813 12.386 0.181 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.696 11.245 0.902 1.00 0.00 H new ATOM 889 N GLU A 55 1.886 10.794 -0.083 1.00 0.00 N ATOM 890 CA GLU A 55 3.224 10.463 0.441 1.00 0.00 C ATOM 891 C GLU A 55 4.208 10.094 -0.687 1.00 0.00 C ATOM 892 O GLU A 55 5.286 10.693 -0.795 1.00 0.00 O ATOM 893 CB GLU A 55 3.100 9.307 1.475 1.00 0.00 C ATOM 894 CG GLU A 55 2.348 9.691 2.770 1.00 0.00 C ATOM 895 CD GLU A 55 3.181 10.595 3.695 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.231 11.825 3.478 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.828 10.072 4.626 1.00 0.00 O ATOM 0 H GLU A 55 1.222 10.024 0.001 1.00 0.00 H new ATOM 0 HA GLU A 55 3.631 11.346 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.586 8.468 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.100 8.961 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.421 10.201 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.072 8.784 3.308 1.00 0.00 H new ATOM 904 N MET A 56 3.827 9.108 -1.515 1.00 0.00 N ATOM 905 CA MET A 56 4.673 8.622 -2.632 1.00 0.00 C ATOM 906 C MET A 56 4.530 9.532 -3.864 1.00 0.00 C ATOM 907 O MET A 56 5.436 9.609 -4.695 1.00 0.00 O ATOM 908 CB MET A 56 4.300 7.170 -3.030 1.00 0.00 C ATOM 909 CG MET A 56 4.415 6.167 -1.908 1.00 0.00 C ATOM 910 SD MET A 56 3.150 6.424 -0.661 1.00 0.00 S ATOM 911 CE MET A 56 4.006 5.811 0.751 1.00 0.00 C ATOM 0 H MET A 56 2.932 8.625 -1.436 1.00 0.00 H new ATOM 0 HA MET A 56 5.706 8.641 -2.284 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.277 7.161 -3.406 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.944 6.854 -3.851 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.330 5.158 -2.311 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.401 6.245 -1.449 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.359 5.877 1.626 1.00 0.00 H new ATOM 0 HE2 MET A 56 4.286 4.771 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 56 4.904 6.406 0.919 1.00 0.00 H new ATOM 921 N GLY A 57 3.367 10.201 -3.965 1.00 0.00 N ATOM 922 CA GLY A 57 3.031 11.035 -5.117 1.00 0.00 C ATOM 923 C GLY A 57 2.462 10.221 -6.273 1.00 0.00 C ATOM 924 O GLY A 57 2.626 10.589 -7.436 1.00 0.00 O ATOM 0 H GLY A 57 2.641 10.174 -3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.306 11.791 -4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.923 11.564 -5.452 1.00 0.00 H new ATOM 928 N VAL A 58 1.783 9.101 -5.939 1.00 0.00 N ATOM 929 CA VAL A 58 1.274 8.131 -6.935 1.00 0.00 C ATOM 930 C VAL A 58 -0.253 8.003 -6.843 1.00 0.00 C ATOM 931 O VAL A 58 -0.775 7.458 -5.860 1.00 0.00 O ATOM 932 CB VAL A 58 1.909 6.716 -6.702 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.453 5.695 -7.779 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.445 6.818 -6.617 1.00 0.00 C ATOM 0 H VAL A 58 1.573 8.844 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 58 1.550 8.501 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 58 1.547 6.338 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.915 4.728 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.368 5.592 -7.747 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.755 6.047 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.867 5.826 -6.455 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.834 7.231 -7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.721 7.469 -5.788 1.00 0.00 H new ATOM 944 N SER A 59 -0.954 8.469 -7.883 1.00 0.00 N ATOM 945 CA SER A 59 -2.410 8.326 -7.983 1.00 0.00 C ATOM 946 C SER A 59 -2.750 6.928 -8.522 1.00 0.00 C ATOM 947 O SER A 59 -2.659 6.670 -9.728 1.00 0.00 O ATOM 948 CB SER A 59 -3.004 9.460 -8.855 1.00 0.00 C ATOM 949 OG SER A 59 -2.267 9.645 -10.057 1.00 0.00 O ATOM 0 H SER A 59 -0.530 8.953 -8.675 1.00 0.00 H new ATOM 0 HA SER A 59 -2.863 8.420 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.041 9.227 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.011 10.390 -8.286 1.00 0.00 H new ATOM 0 HG SER A 59 -2.078 8.773 -10.462 1.00 0.00 H new ATOM 955 N ILE A 60 -3.066 6.011 -7.590 1.00 0.00 N ATOM 956 CA ILE A 60 -3.442 4.631 -7.914 1.00 0.00 C ATOM 957 C ILE A 60 -4.930 4.589 -8.323 1.00 0.00 C ATOM 958 O ILE A 60 -5.792 4.942 -7.518 1.00 0.00 O ATOM 959 CB ILE A 60 -3.186 3.659 -6.703 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.672 3.638 -6.315 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.714 2.231 -6.999 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.330 2.706 -5.157 1.00 0.00 C ATOM 0 H ILE A 60 -3.067 6.211 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.820 4.293 -8.743 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.745 4.039 -5.848 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.090 3.342 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.362 4.650 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.520 1.587 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.787 2.272 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.206 1.830 -7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.260 2.754 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.881 3.013 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.604 1.684 -5.419 1.00 0.00 H new ATOM 974 N PRO A 61 -5.246 4.187 -9.591 1.00 0.00 N ATOM 975 CA PRO A 61 -6.641 4.004 -10.041 1.00 0.00 C ATOM 976 C PRO A 61 -7.251 2.661 -9.569 1.00 0.00 C ATOM 977 O PRO A 61 -6.534 1.733 -9.177 1.00 0.00 O ATOM 978 CB PRO A 61 -6.506 4.065 -11.578 1.00 0.00 C ATOM 979 CG PRO A 61 -5.144 3.488 -11.855 1.00 0.00 C ATOM 980 CD PRO A 61 -4.271 3.925 -10.694 1.00 0.00 C ATOM 0 HA PRO A 61 -7.319 4.752 -9.631 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.290 3.488 -12.069 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.586 5.089 -11.944 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.186 2.401 -11.926 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.748 3.854 -12.802 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.555 3.151 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.696 4.818 -10.940 1.00 0.00 H new ATOM 988 N SER A 62 -8.593 2.585 -9.640 1.00 0.00 N ATOM 989 CA SER A 62 -9.375 1.402 -9.236 1.00 0.00 C ATOM 990 C SER A 62 -9.059 0.177 -10.115 1.00 0.00 C ATOM 991 O SER A 62 -9.109 -0.959 -9.645 1.00 0.00 O ATOM 992 CB SER A 62 -10.875 1.723 -9.319 1.00 0.00 C ATOM 993 OG SER A 62 -11.217 2.164 -10.619 1.00 0.00 O ATOM 0 H SER A 62 -9.171 3.352 -9.983 1.00 0.00 H new ATOM 0 HA SER A 62 -9.100 1.155 -8.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.457 0.837 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.129 2.492 -8.589 1.00 0.00 H new ATOM 0 HG SER A 62 -12.176 2.363 -10.655 1.00 0.00 H new ATOM 999 N THR A 63 -8.729 0.433 -11.394 1.00 0.00 N ATOM 1000 CA THR A 63 -8.353 -0.615 -12.354 1.00 0.00 C ATOM 1001 C THR A 63 -7.036 -1.324 -11.936 1.00 0.00 C ATOM 1002 O THR A 63 -6.805 -2.483 -12.293 1.00 0.00 O ATOM 1003 CB THR A 63 -8.228 -0.025 -13.800 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.953 -1.066 -14.755 1.00 0.00 O ATOM 1005 CG2 THR A 63 -7.141 1.060 -13.895 1.00 0.00 C ATOM 0 H THR A 63 -8.716 1.373 -11.789 1.00 0.00 H new ATOM 0 HA THR A 63 -9.147 -1.362 -12.353 1.00 0.00 H new ATOM 0 HB THR A 63 -9.187 0.438 -14.032 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.880 -0.677 -15.651 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.093 1.438 -14.916 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.383 1.878 -13.216 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.176 0.634 -13.620 1.00 0.00 H new ATOM 1013 N HIS A 64 -6.189 -0.605 -11.166 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.918 -1.140 -10.634 1.00 0.00 C ATOM 1015 C HIS A 64 -5.168 -2.059 -9.409 1.00 0.00 C ATOM 1016 O HIS A 64 -4.304 -2.880 -9.046 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.988 0.035 -10.243 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.689 -0.388 -9.681 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.459 -0.462 -8.334 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.545 -0.759 -10.287 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.244 -0.871 -8.127 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.664 -1.057 -9.308 1.00 0.00 N ATOM 0 H HIS A 64 -6.368 0.362 -10.897 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.440 -1.740 -11.409 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.808 0.651 -11.124 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.500 0.663 -9.514 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.136 -0.232 -7.607 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.367 -0.809 -11.351 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.785 -1.032 -7.163 1.00 0.00 H new ATOM 1031 N ILE A 65 -6.339 -1.888 -8.767 1.00 0.00 N ATOM 1032 CA ILE A 65 -6.708 -2.618 -7.542 1.00 0.00 C ATOM 1033 C ILE A 65 -7.004 -4.089 -7.875 1.00 0.00 C ATOM 1034 O ILE A 65 -8.104 -4.438 -8.325 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.933 -1.959 -6.803 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -7.683 -0.433 -6.575 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -8.239 -2.685 -5.469 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.461 -0.106 -5.755 1.00 0.00 C ATOM 0 H ILE A 65 -7.057 -1.237 -9.085 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.860 -2.567 -6.859 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.811 -2.065 -7.441 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.593 0.055 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -8.557 -0.006 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.089 -2.208 -4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.475 -3.730 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.368 -2.629 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.371 0.975 -5.651 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.553 -0.559 -4.768 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.574 -0.498 -6.252 1.00 0.00 H new ATOM 1050 N THR A 66 -5.978 -4.918 -7.702 1.00 0.00 N ATOM 1051 CA THR A 66 -6.055 -6.366 -7.883 1.00 0.00 C ATOM 1052 C THR A 66 -5.029 -7.044 -6.967 1.00 0.00 C ATOM 1053 O THR A 66 -4.022 -6.432 -6.587 1.00 0.00 O ATOM 1054 CB THR A 66 -5.826 -6.791 -9.375 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.860 -8.225 -9.487 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.495 -6.259 -9.945 1.00 0.00 C ATOM 0 H THR A 66 -5.050 -4.596 -7.426 1.00 0.00 H new ATOM 0 HA THR A 66 -7.062 -6.688 -7.616 1.00 0.00 H new ATOM 0 HB THR A 66 -6.632 -6.348 -9.961 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.589 -8.579 -8.936 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.387 -6.583 -10.980 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.491 -5.170 -9.903 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.665 -6.648 -9.355 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.287 -8.321 -6.647 1.00 0.00 N ATOM 1065 CA GLY A 67 -4.451 -9.094 -5.732 1.00 0.00 C ATOM 1066 C GLY A 67 -3.040 -9.347 -6.237 1.00 0.00 C ATOM 1067 O GLY A 67 -2.151 -9.630 -5.445 1.00 0.00 O ATOM 0 H GLY A 67 -6.082 -8.842 -7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.394 -8.569 -4.779 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.933 -10.053 -5.540 1.00 0.00 H new ATOM 1071 N LYS A 68 -2.855 -9.234 -7.564 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.536 -9.285 -8.214 1.00 0.00 C ATOM 1073 C LYS A 68 -0.570 -8.255 -7.574 1.00 0.00 C ATOM 1074 O LYS A 68 0.568 -8.577 -7.216 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.713 -8.987 -9.725 1.00 0.00 C ATOM 1076 CG LYS A 68 -0.407 -8.939 -10.550 1.00 0.00 C ATOM 1077 CD LYS A 68 -0.650 -8.419 -11.984 1.00 0.00 C ATOM 1078 CE LYS A 68 0.649 -8.268 -12.784 1.00 0.00 C ATOM 1079 NZ LYS A 68 0.399 -7.594 -14.078 1.00 0.00 N ATOM 0 H LYS A 68 -3.625 -9.104 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.105 -10.277 -8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.366 -9.748 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.225 -8.031 -9.832 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.316 -8.296 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.031 -9.936 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.317 -9.104 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.157 -7.455 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.373 -7.694 -12.205 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.088 -9.250 -12.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.173 -7.811 -14.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.500 -7.931 -14.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.349 -6.566 -13.930 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.065 -7.022 -7.416 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.292 -5.903 -6.851 1.00 0.00 C ATOM 1095 C TYR A 69 -0.502 -5.770 -5.332 1.00 0.00 C ATOM 1096 O TYR A 69 0.342 -5.204 -4.646 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.678 -4.587 -7.576 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.400 -4.624 -9.088 1.00 0.00 C ATOM 1099 CD1 TYR A 69 0.884 -4.892 -9.568 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -1.410 -4.400 -10.024 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.147 -4.939 -10.921 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -1.150 -4.445 -11.381 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.132 -4.714 -11.820 1.00 0.00 C ATOM 1104 OH TYR A 69 0.401 -4.771 -13.172 1.00 0.00 O ATOM 0 H TYR A 69 -2.018 -6.768 -7.677 1.00 0.00 H new ATOM 0 HA TYR A 69 0.767 -6.107 -7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.737 -4.387 -7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.125 -3.759 -7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.686 -5.066 -8.866 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.412 -4.188 -9.683 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.146 -5.152 -11.272 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.943 -4.271 -12.093 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.419 -4.591 -13.677 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.626 -6.288 -4.813 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.045 -6.063 -3.406 1.00 0.00 C ATOM 1116 C PHE A 70 -2.055 -7.363 -2.589 1.00 0.00 C ATOM 1117 O PHE A 70 -2.831 -7.500 -1.641 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.431 -5.359 -3.393 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.355 -3.886 -3.815 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.047 -2.899 -2.879 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.559 -3.498 -5.139 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -2.949 -1.573 -3.254 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.455 -2.171 -5.511 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.154 -1.208 -4.566 1.00 0.00 C ATOM 0 H PHE A 70 -2.271 -6.871 -5.346 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.313 -5.415 -2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.109 -5.889 -4.062 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.857 -5.424 -2.392 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.883 -3.175 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.801 -4.243 -5.882 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.711 -0.821 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.609 -1.886 -6.541 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.080 -0.170 -4.856 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.161 -8.298 -2.945 1.00 0.00 N ATOM 1135 CA LYS A 71 -0.951 -9.540 -2.174 1.00 0.00 C ATOM 1136 C LYS A 71 -0.066 -9.259 -0.950 1.00 0.00 C ATOM 1137 O LYS A 71 -0.366 -9.705 0.160 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.330 -10.646 -3.072 1.00 0.00 C ATOM 1139 CG LYS A 71 0.951 -10.221 -3.830 1.00 0.00 C ATOM 1140 CD LYS A 71 1.495 -11.315 -4.775 1.00 0.00 C ATOM 1141 CE LYS A 71 0.479 -11.703 -5.864 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.043 -12.672 -6.826 1.00 0.00 N ATOM 0 H LYS A 71 -0.565 -8.219 -3.769 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.917 -9.902 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.098 -11.511 -2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.076 -10.966 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.740 -9.322 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.723 -9.960 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.412 -10.962 -5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.755 -12.199 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.408 -12.130 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.159 -10.808 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.327 -12.907 -7.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.875 -12.255 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.325 -13.537 -6.322 1.00 0.00 H new ATOM 1156 N ASP A 72 1.008 -8.476 -1.151 1.00 0.00 N ATOM 1157 CA ASP A 72 1.968 -8.138 -0.094 1.00 0.00 C ATOM 1158 C ASP A 72 2.528 -6.737 -0.343 1.00 0.00 C ATOM 1159 O ASP A 72 2.335 -6.155 -1.414 1.00 0.00 O ATOM 1160 CB ASP A 72 3.109 -9.200 0.017 1.00 0.00 C ATOM 1161 CG ASP A 72 4.187 -9.093 -1.076 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.899 -9.419 -2.242 1.00 0.00 O ATOM 1163 OD2 ASP A 72 5.331 -8.674 -0.767 1.00 0.00 O ATOM 0 H ASP A 72 1.232 -8.060 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 72 1.447 -8.145 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.587 -9.101 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.667 -10.196 -0.022 1.00 0.00 H new ATOM 1168 N LEU A 73 3.259 -6.235 0.648 1.00 0.00 N ATOM 1169 CA LEU A 73 3.702 -4.842 0.724 1.00 0.00 C ATOM 1170 C LEU A 73 4.833 -4.533 -0.292 1.00 0.00 C ATOM 1171 O LEU A 73 4.960 -3.384 -0.742 1.00 0.00 O ATOM 1172 CB LEU A 73 4.145 -4.573 2.179 1.00 0.00 C ATOM 1173 CG LEU A 73 4.536 -3.118 2.543 1.00 0.00 C ATOM 1174 CD1 LEU A 73 3.326 -2.162 2.463 1.00 0.00 C ATOM 1175 CD2 LEU A 73 5.232 -3.071 3.921 1.00 0.00 C ATOM 0 H LEU A 73 3.568 -6.797 1.441 1.00 0.00 H new ATOM 0 HA LEU A 73 2.882 -4.177 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.336 -4.881 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.997 -5.216 2.397 1.00 0.00 H new ATOM 0 HG LEU A 73 5.252 -2.764 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.642 -1.152 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.926 -2.165 1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.554 -2.493 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.499 -2.041 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.555 -3.456 4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.134 -3.683 3.894 1.00 0.00 H new ATOM 1187 N ASN A 74 5.648 -5.560 -0.663 1.00 0.00 N ATOM 1188 CA ASN A 74 6.666 -5.404 -1.732 1.00 0.00 C ATOM 1189 C ASN A 74 5.976 -5.217 -3.081 1.00 0.00 C ATOM 1190 O ASN A 74 6.372 -4.358 -3.868 1.00 0.00 O ATOM 1191 CB ASN A 74 7.642 -6.605 -1.849 1.00 0.00 C ATOM 1192 CG ASN A 74 8.615 -6.730 -0.682 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.603 -6.003 -0.593 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.371 -7.684 0.190 1.00 0.00 N ATOM 0 H ASN A 74 5.619 -6.489 -0.243 1.00 0.00 H new ATOM 0 HA ASN A 74 7.255 -4.529 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.062 -7.525 -1.925 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.211 -6.509 -2.774 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.011 -7.838 0.969 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.542 -8.269 0.087 1.00 0.00 H new ATOM 1201 N ALA A 75 4.936 -6.048 -3.330 1.00 0.00 N ATOM 1202 CA ALA A 75 4.163 -6.020 -4.582 1.00 0.00 C ATOM 1203 C ALA A 75 3.448 -4.674 -4.753 1.00 0.00 C ATOM 1204 O ALA A 75 3.328 -4.165 -5.878 1.00 0.00 O ATOM 1205 CB ALA A 75 3.165 -7.182 -4.620 1.00 0.00 C ATOM 0 H ALA A 75 4.615 -6.753 -2.666 1.00 0.00 H new ATOM 0 HA ALA A 75 4.855 -6.137 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.601 -7.147 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.704 -8.127 -4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.478 -7.100 -3.777 1.00 0.00 H new ATOM 1211 N ILE A 76 2.993 -4.107 -3.625 1.00 0.00 N ATOM 1212 CA ILE A 76 2.387 -2.771 -3.590 1.00 0.00 C ATOM 1213 C ILE A 76 3.431 -1.703 -3.963 1.00 0.00 C ATOM 1214 O ILE A 76 3.212 -0.925 -4.884 1.00 0.00 O ATOM 1215 CB ILE A 76 1.758 -2.469 -2.176 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.542 -3.408 -1.918 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.360 -0.979 -2.003 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.189 -3.161 -0.611 1.00 0.00 C ATOM 0 H ILE A 76 3.036 -4.563 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 76 1.582 -2.742 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 76 2.527 -2.669 -1.429 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.165 -3.297 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.889 -4.441 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.933 -0.829 -1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.244 -0.351 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.624 -0.709 -2.760 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.019 -3.862 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.499 -3.303 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.572 -2.141 -0.596 1.00 0.00 H new ATOM 1230 N SER A 77 4.584 -1.722 -3.283 1.00 0.00 N ATOM 1231 CA SER A 77 5.604 -0.666 -3.411 1.00 0.00 C ATOM 1232 C SER A 77 6.267 -0.685 -4.798 1.00 0.00 C ATOM 1233 O SER A 77 6.567 0.377 -5.362 1.00 0.00 O ATOM 1234 CB SER A 77 6.676 -0.837 -2.322 1.00 0.00 C ATOM 1235 OG SER A 77 7.643 0.197 -2.364 1.00 0.00 O ATOM 0 H SER A 77 4.838 -2.464 -2.631 1.00 0.00 H new ATOM 0 HA SER A 77 5.105 0.295 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.199 -0.848 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.170 -1.801 -2.447 1.00 0.00 H new ATOM 0 HG SER A 77 8.395 -0.035 -1.780 1.00 0.00 H new ATOM 1241 N ARG A 78 6.472 -1.903 -5.340 1.00 0.00 N ATOM 1242 CA ARG A 78 7.200 -2.103 -6.603 1.00 0.00 C ATOM 1243 C ARG A 78 6.383 -1.548 -7.782 1.00 0.00 C ATOM 1244 O ARG A 78 6.939 -0.985 -8.734 1.00 0.00 O ATOM 1245 CB ARG A 78 7.567 -3.612 -6.800 1.00 0.00 C ATOM 1246 CG ARG A 78 6.422 -4.526 -7.288 1.00 0.00 C ATOM 1247 CD ARG A 78 6.761 -6.025 -7.166 1.00 0.00 C ATOM 1248 NE ARG A 78 8.025 -6.383 -7.829 1.00 0.00 N ATOM 1249 CZ ARG A 78 8.755 -7.481 -7.562 1.00 0.00 C ATOM 1250 NH1 ARG A 78 8.365 -8.358 -6.642 1.00 0.00 N ATOM 1251 NH2 ARG A 78 9.884 -7.684 -8.207 1.00 0.00 N ATOM 0 H ARG A 78 6.139 -2.768 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 78 8.138 -1.549 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.387 -3.676 -7.515 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.939 -4.002 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.522 -4.313 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.195 -4.293 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.821 -6.294 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.951 -6.612 -7.599 1.00 0.00 H new ATOM 0 HE ARG A 78 8.375 -5.749 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.499 -8.204 -6.125 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.932 -9.185 -6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.201 -7.011 -8.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.442 -8.515 -8.009 1.00 0.00 H new ATOM 1265 N THR A 79 5.044 -1.676 -7.682 1.00 0.00 N ATOM 1266 CA THR A 79 4.128 -1.174 -8.700 1.00 0.00 C ATOM 1267 C THR A 79 3.833 0.320 -8.469 1.00 0.00 C ATOM 1268 O THR A 79 3.506 1.013 -9.417 1.00 0.00 O ATOM 1269 CB THR A 79 2.800 -1.991 -8.737 1.00 0.00 C ATOM 1270 OG1 THR A 79 2.088 -1.695 -9.945 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.873 -1.692 -7.550 1.00 0.00 C ATOM 0 H THR A 79 4.580 -2.129 -6.895 1.00 0.00 H new ATOM 0 HA THR A 79 4.615 -1.294 -9.668 1.00 0.00 H new ATOM 0 HB THR A 79 3.083 -3.042 -8.685 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.152 -1.496 -9.733 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.967 -2.292 -7.635 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.384 -1.937 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.609 -0.634 -7.552 1.00 0.00 H new ATOM 1279 N VAL A 80 3.939 0.783 -7.196 1.00 0.00 N ATOM 1280 CA VAL A 80 3.753 2.205 -6.823 1.00 0.00 C ATOM 1281 C VAL A 80 4.830 3.075 -7.490 1.00 0.00 C ATOM 1282 O VAL A 80 4.514 4.095 -8.108 1.00 0.00 O ATOM 1283 CB VAL A 80 3.761 2.388 -5.238 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.167 3.815 -4.782 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.383 2.002 -4.638 1.00 0.00 C ATOM 0 H VAL A 80 4.156 0.180 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 80 2.778 2.532 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 80 4.528 1.713 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.151 3.867 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.171 4.040 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.464 4.541 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.408 2.133 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.609 2.641 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.163 0.960 -4.872 1.00 0.00 H new ATOM 1295 N GLU A 81 6.096 2.641 -7.372 1.00 0.00 N ATOM 1296 CA GLU A 81 7.248 3.380 -7.934 1.00 0.00 C ATOM 1297 C GLU A 81 7.279 3.310 -9.474 1.00 0.00 C ATOM 1298 O GLU A 81 7.842 4.194 -10.130 1.00 0.00 O ATOM 1299 CB GLU A 81 8.572 2.861 -7.339 1.00 0.00 C ATOM 1300 CG GLU A 81 8.631 2.928 -5.800 1.00 0.00 C ATOM 1301 CD GLU A 81 10.053 2.767 -5.249 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.579 1.636 -5.234 1.00 0.00 O ATOM 1303 OE2 GLU A 81 10.662 3.781 -4.853 1.00 0.00 O ATOM 0 H GLU A 81 6.352 1.779 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 81 7.129 4.428 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.721 1.828 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.397 3.442 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.224 3.883 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.995 2.147 -5.383 1.00 0.00 H new ATOM 1310 N GLN A 82 6.654 2.253 -10.029 1.00 0.00 N ATOM 1311 CA GLN A 82 6.492 2.099 -11.485 1.00 0.00 C ATOM 1312 C GLN A 82 5.430 3.087 -11.966 1.00 0.00 C ATOM 1313 O GLN A 82 5.637 3.849 -12.919 1.00 0.00 O ATOM 1314 CB GLN A 82 6.072 0.642 -11.844 1.00 0.00 C ATOM 1315 CG GLN A 82 5.653 0.445 -13.325 1.00 0.00 C ATOM 1316 CD GLN A 82 6.790 0.703 -14.333 1.00 0.00 C ATOM 1317 OE1 GLN A 82 7.962 0.414 -14.070 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.456 1.285 -15.479 1.00 0.00 N ATOM 0 H GLN A 82 6.251 1.490 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 82 7.442 2.304 -11.978 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.902 -0.028 -11.621 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.242 0.347 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.287 -0.573 -13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.822 1.114 -13.550 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.480 1.513 -15.670 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.175 1.504 -16.168 1.00 0.00 H new ATOM 1327 N LEU A 83 4.305 3.064 -11.243 1.00 0.00 N ATOM 1328 CA LEU A 83 3.114 3.874 -11.519 1.00 0.00 C ATOM 1329 C LEU A 83 3.420 5.368 -11.338 1.00 0.00 C ATOM 1330 O LEU A 83 2.747 6.210 -11.920 1.00 0.00 O ATOM 1331 CB LEU A 83 1.960 3.425 -10.562 1.00 0.00 C ATOM 1332 CG LEU A 83 0.566 3.200 -11.202 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.620 2.116 -12.299 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.473 2.867 -10.107 1.00 0.00 C ATOM 0 H LEU A 83 4.195 2.464 -10.426 1.00 0.00 H new ATOM 0 HA LEU A 83 2.805 3.723 -12.553 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.264 2.498 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.857 4.176 -9.779 1.00 0.00 H new ATOM 0 HG LEU A 83 0.253 4.122 -11.692 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.373 1.982 -12.728 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.314 2.424 -13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.957 1.175 -11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.449 2.711 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.170 1.961 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.534 3.694 -9.399 1.00 0.00 H new ATOM 1346 N LYS A 84 4.434 5.661 -10.499 1.00 0.00 N ATOM 1347 CA LYS A 84 4.918 7.023 -10.270 1.00 0.00 C ATOM 1348 C LYS A 84 5.578 7.560 -11.544 1.00 0.00 C ATOM 1349 O LYS A 84 5.277 8.671 -11.969 1.00 0.00 O ATOM 1350 CB LYS A 84 5.926 7.058 -9.097 1.00 0.00 C ATOM 1351 CG LYS A 84 6.386 8.482 -8.693 1.00 0.00 C ATOM 1352 CD LYS A 84 7.148 8.516 -7.350 1.00 0.00 C ATOM 1353 CE LYS A 84 8.376 7.597 -7.330 1.00 0.00 C ATOM 1354 NZ LYS A 84 9.112 7.686 -6.046 1.00 0.00 N ATOM 0 H LYS A 84 4.936 4.953 -9.964 1.00 0.00 H new ATOM 0 HA LYS A 84 4.068 7.654 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.474 6.575 -8.230 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.802 6.469 -9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.026 8.886 -9.477 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.514 9.133 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.464 9.539 -7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.471 8.224 -6.547 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.061 6.567 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.043 7.864 -8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.127 7.807 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 8.762 8.500 -5.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.963 6.814 -5.499 1.00 0.00 H new ATOM 1368 N ALA A 85 6.467 6.729 -12.139 1.00 0.00 N ATOM 1369 CA ALA A 85 7.159 7.046 -13.406 1.00 0.00 C ATOM 1370 C ALA A 85 6.136 7.271 -14.546 1.00 0.00 C ATOM 1371 O ALA A 85 6.263 8.214 -15.333 1.00 0.00 O ATOM 1372 CB ALA A 85 8.138 5.909 -13.769 1.00 0.00 C ATOM 0 H ALA A 85 6.723 5.821 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 85 7.725 7.968 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.644 6.149 -14.704 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.876 5.797 -12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.586 4.976 -13.885 1.00 0.00 H new ATOM 1378 N GLU A 86 5.102 6.407 -14.580 1.00 0.00 N ATOM 1379 CA GLU A 86 4.019 6.461 -15.584 1.00 0.00 C ATOM 1380 C GLU A 86 3.175 7.740 -15.401 1.00 0.00 C ATOM 1381 O GLU A 86 2.891 8.448 -16.367 1.00 0.00 O ATOM 1382 CB GLU A 86 3.119 5.189 -15.474 1.00 0.00 C ATOM 1383 CG GLU A 86 3.883 3.858 -15.628 1.00 0.00 C ATOM 1384 CD GLU A 86 4.557 3.708 -17.001 1.00 0.00 C ATOM 1385 OE1 GLU A 86 3.840 3.433 -17.987 1.00 0.00 O ATOM 1386 OE2 GLU A 86 5.794 3.843 -17.096 1.00 0.00 O ATOM 0 H GLU A 86 4.994 5.647 -13.908 1.00 0.00 H new ATOM 0 HA GLU A 86 4.466 6.486 -16.578 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.616 5.196 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.343 5.240 -16.238 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.641 3.788 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.192 3.029 -15.476 1.00 0.00 H new ATOM 1393 N SER A 87 2.832 8.038 -14.132 1.00 0.00 N ATOM 1394 CA SER A 87 1.964 9.180 -13.778 1.00 0.00 C ATOM 1395 C SER A 87 2.743 10.515 -13.802 1.00 0.00 C ATOM 1396 O SER A 87 2.137 11.589 -13.844 1.00 0.00 O ATOM 1397 CB SER A 87 1.295 8.964 -12.394 1.00 0.00 C ATOM 1398 OG SER A 87 0.286 9.938 -12.143 1.00 0.00 O ATOM 0 H SER A 87 3.147 7.497 -13.327 1.00 0.00 H new ATOM 0 HA SER A 87 1.180 9.238 -14.533 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.857 7.967 -12.352 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.052 9.013 -11.611 1.00 0.00 H new ATOM 0 HG SER A 87 -0.292 10.020 -12.930 1.00 0.00 H new ATOM 1404 N ALA A 88 4.084 10.433 -13.772 1.00 0.00 N ATOM 1405 CA ALA A 88 4.967 11.612 -13.868 1.00 0.00 C ATOM 1406 C ALA A 88 5.128 12.027 -15.339 1.00 0.00 C ATOM 1407 O ALA A 88 5.097 13.215 -15.674 1.00 0.00 O ATOM 1408 CB ALA A 88 6.336 11.311 -13.224 1.00 0.00 C ATOM 0 H ALA A 88 4.587 9.550 -13.681 1.00 0.00 H new ATOM 0 HA ALA A 88 4.515 12.442 -13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.976 12.190 -13.303 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.196 11.057 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.805 10.473 -13.740 1.00 0.00 H new ATOM 1414 N LEU A 89 5.298 11.021 -16.218 1.00 0.00 N ATOM 1415 CA LEU A 89 5.508 11.233 -17.660 1.00 0.00 C ATOM 1416 C LEU A 89 4.180 11.182 -18.466 1.00 0.00 C ATOM 1417 O LEU A 89 4.226 11.269 -19.696 1.00 0.00 O ATOM 1418 CB LEU A 89 6.526 10.183 -18.221 1.00 0.00 C ATOM 1419 CG LEU A 89 8.050 10.399 -17.884 1.00 0.00 C ATOM 1420 CD1 LEU A 89 8.358 10.281 -16.374 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.933 9.438 -18.712 1.00 0.00 C ATOM 0 H LEU A 89 5.293 10.038 -15.946 1.00 0.00 H new ATOM 0 HA LEU A 89 5.919 12.235 -17.781 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.235 9.200 -17.850 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.421 10.158 -19.306 1.00 0.00 H new ATOM 0 HG LEU A 89 8.291 11.425 -18.163 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.423 10.440 -16.206 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.789 11.032 -15.827 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.079 9.288 -16.022 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.982 9.603 -18.465 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.664 8.407 -18.482 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.777 9.625 -19.774 1.00 0.00 H new ATOM 1433 N GLU A 90 3.004 11.052 -17.794 1.00 0.00 N ATOM 1434 CA GLU A 90 1.705 11.020 -18.514 1.00 0.00 C ATOM 1435 C GLU A 90 1.340 12.439 -19.039 1.00 0.00 C ATOM 1436 CB GLU A 90 0.545 10.415 -17.656 1.00 0.00 C ATOM 1437 CG GLU A 90 0.143 11.207 -16.402 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.145 10.680 -15.748 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -1.083 9.718 -14.952 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -2.236 11.213 -16.051 1.00 0.00 O ATOM 0 H GLU A 90 2.930 10.970 -16.780 1.00 0.00 H new ATOM 0 HA GLU A 90 1.829 10.351 -19.366 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.334 10.312 -18.292 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.835 9.410 -17.348 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.956 11.166 -15.677 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.006 12.255 -16.669 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -13.500 -0.982 -3.933 1.00 73.13 P HETATM 1449 O25 PNS A 101 -14.247 -0.006 -4.774 1.00 4.34 O HETATM 1450 O26 PNS A 101 -12.188 -0.485 -3.449 1.00 65.34 O HETATM 1451 O27 PNS A 101 -13.291 -2.303 -4.776 1.00 21.54 O HETATM 1452 C28 PNS A 101 -12.181 -3.139 -4.487 1.00 53.23 C HETATM 1453 C29 PNS A 101 -12.209 -4.412 -5.346 1.00 1.11 C HETATM 1454 C30 PNS A 101 -13.521 -5.143 -5.067 1.00 23.52 C HETATM 1455 C31 PNS A 101 -11.027 -5.302 -4.945 1.00 61.35 C HETATM 1456 C32 PNS A 101 -12.134 -4.040 -6.830 1.00 41.25 C HETATM 1457 O33 PNS A 101 -10.976 -3.221 -7.083 1.00 52.12 O HETATM 1458 C34 PNS A 101 -12.076 -5.275 -7.775 1.00 53.04 C HETATM 1459 O35 PNS A 101 -13.110 -5.837 -8.150 1.00 31.31 O HETATM 1460 N36 PNS A 101 -10.839 -5.681 -8.130 1.00 61.11 N HETATM 1461 C37 PNS A 101 -10.535 -6.818 -9.020 1.00 71.02 C HETATM 1462 C38 PNS A 101 -10.603 -8.198 -8.354 1.00 72.01 C HETATM 1463 C39 PNS A 101 -9.590 -8.460 -7.215 1.00 73.44 C HETATM 1464 O40 PNS A 101 -8.432 -8.811 -7.486 1.00 21.22 O HETATM 1465 N41 PNS A 101 -10.058 -8.305 -5.956 1.00 22.11 N HETATM 1466 C42 PNS A 101 -9.296 -8.500 -4.694 1.00 12.54 C HETATM 1467 C43 PNS A 101 -7.901 -7.882 -4.647 1.00 53.41 C HETATM 1468 S44 PNS A 101 -7.962 -6.094 -4.868 1.00 51.11 S HETATM 0 H432 PNS A 101 -7.431 -8.116 -3.692 1.00 53.41 H new HETATM 0 H431 PNS A 101 -7.279 -8.325 -5.425 1.00 53.41 H new HETATM 0 H422 PNS A 101 -9.203 -9.571 -4.512 1.00 12.54 H new HETATM 0 H421 PNS A 101 -9.882 -8.087 -3.873 1.00 12.54 H new HETATM 0 H382 PNS A 101 -10.457 -8.957 -9.123 1.00 72.01 H new HETATM 0 H381 PNS A 101 -11.608 -8.337 -7.956 1.00 72.01 H new HETATM 0 H372 PNS A 101 -9.536 -6.679 -9.433 1.00 71.02 H new HETATM 0 H371 PNS A 101 -11.232 -6.801 -9.858 1.00 71.02 H new HETATM 0 H313 PNS A 101 -11.035 -6.210 -5.548 1.00 61.35 H new HETATM 0 H312 PNS A 101 -11.111 -5.565 -3.891 1.00 61.35 H new HETATM 0 H311 PNS A 101 -10.094 -4.764 -5.111 1.00 61.35 H new HETATM 0 H303 PNS A 101 -13.565 -6.052 -5.666 1.00 23.52 H new HETATM 0 H302 PNS A 101 -14.360 -4.497 -5.326 1.00 23.52 H new HETATM 0 H301 PNS A 101 -13.575 -5.402 -4.010 1.00 23.52 H new HETATM 0 H282 PNS A 101 -12.190 -3.409 -3.431 1.00 53.23 H new HETATM 0 H281 PNS A 101 -11.255 -2.594 -4.669 1.00 53.23 H new HETATM 0 H44 PNS A 101 -8.512 -5.817 -6.013 1.00 51.11 H new HETATM 0 H41 PNS A 101 -11.034 -8.025 -5.862 1.00 22.11 H new HETATM 0 H36 PNS A 101 -10.049 -5.159 -7.752 1.00 61.11 H new HETATM 0 H33 PNS A 101 -10.939 -2.992 -8.035 1.00 52.12 H new HETATM 0 H32 PNS A 101 -13.054 -3.496 -7.046 1.00 41.25 H new