USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 637 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -165:sc= -0.0981 (180deg=-0.437) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00146) USER MOD Single : A 2 ASN : amide:sc= -0.255 K(o=-0.25,f=-6!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 17 THR OG1 : rot 119:sc= 0.127 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -77:sc=0.000522 USER MOD Single : A 34 SER OG : rot 53:sc= 0.179 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 74:sc= 0.208 USER MOD Single : A 40 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.72) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= 0.557 K(o=0.56,f=-12!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -160:sc= 0.0201 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0978 (180deg=-0.4) USER MOD Single : A 72 THR OG1 : rot 73:sc= 0.588 USER MOD Single : A 74 LYS NZ :NH3+ 139:sc= 1.27 (180deg=0.85) USER MOD Single : A 80 LYS NZ :NH3+ -110:sc= 0.701 (180deg=-0.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.606 -0.860 11.740 1.00 0.00 N ATOM 2 CA MET A 1 2.144 -0.435 10.423 1.00 0.00 C ATOM 3 C MET A 1 1.369 -1.092 9.279 1.00 0.00 C ATOM 4 O MET A 1 0.940 -0.420 8.342 1.00 0.00 O ATOM 5 CB MET A 1 3.635 -0.795 10.321 1.00 0.00 C ATOM 6 CG MET A 1 4.337 -0.223 9.090 1.00 0.00 C ATOM 7 SD MET A 1 6.025 -0.834 8.904 1.00 0.00 S ATOM 8 CE MET A 1 6.770 -0.267 10.431 1.00 0.00 C ATOM 0 H1 MET A 1 2.136 -0.388 12.500 1.00 0.00 H new ATOM 0 H2 MET A 1 0.601 -0.599 11.805 1.00 0.00 H new ATOM 0 H3 MET A 1 1.703 -1.891 11.838 1.00 0.00 H new ATOM 0 HA MET A 1 2.029 0.646 10.340 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.145 -0.437 11.215 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.735 -1.880 10.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.763 -0.477 8.199 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.354 0.865 9.159 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.855 -0.329 10.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.478 0.767 10.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.431 -0.894 11.256 1.00 0.00 H new ATOM 17 N ASN A 2 1.176 -2.408 9.374 1.00 0.00 N ATOM 18 CA ASN A 2 0.559 -3.194 8.299 1.00 0.00 C ATOM 19 C ASN A 2 -0.852 -2.708 7.972 1.00 0.00 C ATOM 20 O ASN A 2 -1.198 -2.511 6.802 1.00 0.00 O ATOM 21 CB ASN A 2 0.532 -4.689 8.665 1.00 0.00 C ATOM 22 CG ASN A 2 -0.315 -5.005 9.891 1.00 0.00 C ATOM 23 OD1 ASN A 2 -0.473 -4.176 10.788 1.00 0.00 O ATOM 24 ND2 ASN A 2 -0.857 -6.211 9.942 1.00 0.00 N ATOM 0 H ASN A 2 1.440 -2.958 10.191 1.00 0.00 H new ATOM 0 HA ASN A 2 1.172 -3.056 7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 2 0.150 -5.255 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 2 1.552 -5.029 8.842 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.428 -6.480 10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.704 -6.871 9.180 1.00 0.00 H new ATOM 31 N ALA A 3 -1.660 -2.503 9.004 1.00 0.00 N ATOM 32 CA ALA A 3 -3.036 -2.055 8.824 1.00 0.00 C ATOM 33 C ALA A 3 -3.050 -0.619 8.317 1.00 0.00 C ATOM 34 O ALA A 3 -3.901 -0.236 7.514 1.00 0.00 O ATOM 35 CB ALA A 3 -3.815 -2.181 10.129 1.00 0.00 C ATOM 0 H ALA A 3 -1.386 -2.640 9.977 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.522 -2.689 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.840 -1.842 9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.822 -3.223 10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -3.341 -1.568 10.896 1.00 0.00 H new ATOM 41 N THR A 4 -2.083 0.159 8.787 1.00 0.00 N ATOM 42 CA THR A 4 -1.895 1.535 8.345 1.00 0.00 C ATOM 43 C THR A 4 -1.668 1.591 6.830 1.00 0.00 C ATOM 44 O THR A 4 -2.223 2.447 6.138 1.00 0.00 O ATOM 45 CB THR A 4 -0.693 2.166 9.084 1.00 0.00 C ATOM 46 OG1 THR A 4 -0.911 2.091 10.499 1.00 0.00 O ATOM 47 CG2 THR A 4 -0.476 3.619 8.680 1.00 0.00 C ATOM 0 H THR A 4 -1.406 -0.147 9.486 1.00 0.00 H new ATOM 0 HA THR A 4 -2.797 2.100 8.579 1.00 0.00 H new ATOM 0 HB THR A 4 0.201 1.606 8.807 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.149 2.489 10.969 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.378 4.024 9.223 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.284 3.674 7.608 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.367 4.200 8.920 1.00 0.00 H new ATOM 55 N ILE A 5 -0.865 0.651 6.327 1.00 0.00 N ATOM 56 CA ILE A 5 -0.548 0.580 4.901 1.00 0.00 C ATOM 57 C ILE A 5 -1.815 0.418 4.061 1.00 0.00 C ATOM 58 O ILE A 5 -2.060 1.196 3.145 1.00 0.00 O ATOM 59 CB ILE A 5 0.423 -0.590 4.592 1.00 0.00 C ATOM 60 CG1 ILE A 5 1.750 -0.400 5.346 1.00 0.00 C ATOM 61 CG2 ILE A 5 0.671 -0.700 3.085 1.00 0.00 C ATOM 62 CD1 ILE A 5 2.668 -1.603 5.287 1.00 0.00 C ATOM 0 H ILE A 5 -0.421 -0.074 6.890 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.062 1.520 4.639 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.037 -1.518 4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.271 0.463 4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.534 -0.171 6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.354 -1.526 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.274 -0.881 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.110 0.229 2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.582 -1.391 5.842 1.00 0.00 H new ATOM 0 HD12 ILE A 5 2.167 -2.465 5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.916 -1.821 4.248 1.00 0.00 H new ATOM 74 N ARG A 6 -2.623 -0.588 4.385 1.00 0.00 N ATOM 75 CA ARG A 6 -3.847 -0.851 3.626 1.00 0.00 C ATOM 76 C ARG A 6 -4.882 0.248 3.878 1.00 0.00 C ATOM 77 O ARG A 6 -5.724 0.532 3.025 1.00 0.00 O ATOM 78 CB ARG A 6 -4.429 -2.230 3.983 1.00 0.00 C ATOM 79 CG ARG A 6 -4.985 -2.334 5.401 1.00 0.00 C ATOM 80 CD ARG A 6 -5.580 -3.711 5.681 1.00 0.00 C ATOM 81 NE ARG A 6 -6.280 -3.751 6.967 1.00 0.00 N ATOM 82 CZ ARG A 6 -7.034 -4.770 7.383 1.00 0.00 C ATOM 83 NH1 ARG A 6 -7.136 -5.877 6.653 1.00 0.00 N ATOM 84 NH2 ARG A 6 -7.670 -4.689 8.542 1.00 0.00 N ATOM 0 H ARG A 6 -2.457 -1.230 5.160 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.594 -0.853 2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.224 -2.469 3.276 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.651 -2.983 3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.190 -2.130 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.750 -1.572 5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.272 -3.977 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.786 -4.458 5.676 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.185 -2.946 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.635 -5.952 5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.715 -6.651 6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.583 -3.849 9.114 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.247 -5.467 8.862 1.00 0.00 H new ATOM 98 N GLU A 7 -4.790 0.877 5.047 1.00 0.00 N ATOM 99 CA GLU A 7 -5.740 1.909 5.453 1.00 0.00 C ATOM 100 C GLU A 7 -5.600 3.160 4.586 1.00 0.00 C ATOM 101 O GLU A 7 -6.599 3.793 4.230 1.00 0.00 O ATOM 102 CB GLU A 7 -5.537 2.260 6.936 1.00 0.00 C ATOM 103 CG GLU A 7 -6.511 3.304 7.478 1.00 0.00 C ATOM 104 CD GLU A 7 -6.366 3.516 8.978 1.00 0.00 C ATOM 105 OE1 GLU A 7 -6.966 2.739 9.754 1.00 0.00 O ATOM 106 OE2 GLU A 7 -5.650 4.455 9.391 1.00 0.00 O ATOM 0 H GLU A 7 -4.061 0.688 5.735 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.748 1.517 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.633 1.350 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.519 2.625 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.347 4.251 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.532 2.993 7.256 1.00 0.00 H new ATOM 113 N ILE A 8 -4.363 3.509 4.228 1.00 0.00 N ATOM 114 CA ILE A 8 -4.114 4.734 3.474 1.00 0.00 C ATOM 115 C ILE A 8 -4.801 4.693 2.100 1.00 0.00 C ATOM 116 O ILE A 8 -5.228 5.728 1.583 1.00 0.00 O ATOM 117 CB ILE A 8 -2.602 5.042 3.296 1.00 0.00 C ATOM 118 CG1 ILE A 8 -2.425 6.504 2.869 1.00 0.00 C ATOM 119 CG2 ILE A 8 -1.960 4.109 2.275 1.00 0.00 C ATOM 120 CD1 ILE A 8 -0.996 6.897 2.591 1.00 0.00 C ATOM 0 H ILE A 8 -3.528 2.966 4.446 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.544 5.540 4.068 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.102 4.878 4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.020 6.684 1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.822 7.150 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -0.902 4.352 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.065 3.077 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.453 4.231 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.958 7.945 2.295 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.397 6.752 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.598 6.278 1.786 1.00 0.00 H new ATOM 132 N LEU A 9 -4.911 3.496 1.517 1.00 0.00 N ATOM 133 CA LEU A 9 -5.559 3.328 0.210 1.00 0.00 C ATOM 134 C LEU A 9 -7.017 3.783 0.252 1.00 0.00 C ATOM 135 O LEU A 9 -7.577 4.186 -0.766 1.00 0.00 O ATOM 136 CB LEU A 9 -5.482 1.868 -0.274 1.00 0.00 C ATOM 137 CG LEU A 9 -4.129 1.425 -0.868 1.00 0.00 C ATOM 138 CD1 LEU A 9 -3.756 2.287 -2.074 1.00 0.00 C ATOM 139 CD2 LEU A 9 -3.026 1.464 0.184 1.00 0.00 C ATOM 0 H LEU A 9 -4.561 2.630 1.927 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.017 3.956 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.720 1.214 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.255 1.714 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.235 0.394 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.798 1.956 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.524 2.191 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.679 3.330 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.084 1.147 -0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.922 2.480 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.282 0.793 1.004 1.00 0.00 H new ATOM 151 N ALA A 10 -7.624 3.716 1.432 1.00 0.00 N ATOM 152 CA ALA A 10 -9.012 4.134 1.610 1.00 0.00 C ATOM 153 C ALA A 10 -9.143 5.658 1.536 1.00 0.00 C ATOM 154 O ALA A 10 -10.170 6.182 1.101 1.00 0.00 O ATOM 155 CB ALA A 10 -9.556 3.615 2.937 1.00 0.00 C ATOM 0 H ALA A 10 -7.176 3.375 2.283 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.601 3.707 0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.591 3.934 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.509 2.526 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.957 4.013 3.756 1.00 0.00 H new ATOM 161 N LYS A 11 -8.091 6.362 1.956 1.00 0.00 N ATOM 162 CA LYS A 11 -8.116 7.825 2.021 1.00 0.00 C ATOM 163 C LYS A 11 -7.282 8.466 0.901 1.00 0.00 C ATOM 164 O LYS A 11 -7.826 9.174 0.055 1.00 0.00 O ATOM 165 CB LYS A 11 -7.663 8.304 3.415 1.00 0.00 C ATOM 166 CG LYS A 11 -6.391 7.638 3.930 1.00 0.00 C ATOM 167 CD LYS A 11 -6.099 7.995 5.388 1.00 0.00 C ATOM 168 CE LYS A 11 -5.955 9.499 5.601 1.00 0.00 C ATOM 169 NZ LYS A 11 -5.616 9.827 7.011 1.00 0.00 N ATOM 0 H LYS A 11 -7.211 5.943 2.256 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.144 8.151 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.506 9.382 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.468 8.121 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.486 6.556 3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.548 7.940 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.903 7.617 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.183 7.497 5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.179 9.887 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.885 9.996 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.527 10.858 7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.369 9.479 7.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.715 9.374 7.266 1.00 0.00 H new ATOM 183 N PHE A 12 -5.974 8.214 0.881 1.00 0.00 N ATOM 184 CA PHE A 12 -5.095 8.803 -0.140 1.00 0.00 C ATOM 185 C PHE A 12 -5.180 8.037 -1.457 1.00 0.00 C ATOM 186 O PHE A 12 -5.108 8.633 -2.535 1.00 0.00 O ATOM 187 CB PHE A 12 -3.639 8.831 0.341 1.00 0.00 C ATOM 188 CG PHE A 12 -3.319 9.958 1.292 1.00 0.00 C ATOM 189 CD1 PHE A 12 -3.688 9.887 2.625 1.00 0.00 C ATOM 190 CD2 PHE A 12 -2.641 11.086 0.848 1.00 0.00 C ATOM 191 CE1 PHE A 12 -3.388 10.916 3.499 1.00 0.00 C ATOM 192 CE2 PHE A 12 -2.342 12.116 1.717 1.00 0.00 C ATOM 193 CZ PHE A 12 -2.715 12.031 3.043 1.00 0.00 C ATOM 0 H PHE A 12 -5.498 7.611 1.552 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.437 9.824 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.412 7.884 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.984 8.907 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.217 9.017 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.345 11.158 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.680 10.847 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.816 12.989 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.480 12.836 3.723 1.00 0.00 H new ATOM 203 N GLY A 13 -5.324 6.718 -1.364 1.00 0.00 N ATOM 204 CA GLY A 13 -5.382 5.886 -2.554 1.00 0.00 C ATOM 205 C GLY A 13 -6.586 6.210 -3.416 1.00 0.00 C ATOM 206 O GLY A 13 -7.707 5.811 -3.096 1.00 0.00 O ATOM 0 H GLY A 13 -5.402 6.209 -0.483 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.471 6.023 -3.137 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.418 4.837 -2.261 1.00 0.00 H new ATOM 210 N GLN A 14 -6.364 6.943 -4.505 1.00 0.00 N ATOM 211 CA GLN A 14 -7.445 7.323 -5.412 1.00 0.00 C ATOM 212 C GLN A 14 -7.835 6.133 -6.286 1.00 0.00 C ATOM 213 O GLN A 14 -7.507 6.069 -7.473 1.00 0.00 O ATOM 214 CB GLN A 14 -7.041 8.523 -6.283 1.00 0.00 C ATOM 215 CG GLN A 14 -8.189 9.085 -7.118 1.00 0.00 C ATOM 216 CD GLN A 14 -7.762 10.211 -8.042 1.00 0.00 C ATOM 217 OE1 GLN A 14 -6.818 10.945 -7.754 1.00 0.00 O ATOM 218 NE2 GLN A 14 -8.470 10.368 -9.152 1.00 0.00 N ATOM 0 H GLN A 14 -5.444 7.286 -4.781 1.00 0.00 H new ATOM 0 HA GLN A 14 -8.306 7.621 -4.814 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.649 9.312 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.232 8.222 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.624 8.282 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.971 9.448 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.246 9.738 -9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.239 11.119 -9.803 1.00 0.00 H new ATOM 227 N LEU A 15 -8.486 5.169 -5.661 1.00 0.00 N ATOM 228 CA LEU A 15 -8.946 3.968 -6.337 1.00 0.00 C ATOM 229 C LEU A 15 -10.354 4.210 -6.891 1.00 0.00 C ATOM 230 O LEU A 15 -11.201 4.770 -6.195 1.00 0.00 O ATOM 231 CB LEU A 15 -8.940 2.797 -5.337 1.00 0.00 C ATOM 232 CG LEU A 15 -9.002 1.386 -5.949 1.00 0.00 C ATOM 233 CD1 LEU A 15 -7.785 1.124 -6.830 1.00 0.00 C ATOM 234 CD2 LEU A 15 -9.108 0.327 -4.854 1.00 0.00 C ATOM 0 H LEU A 15 -8.712 5.196 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.286 3.721 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.038 2.869 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.788 2.917 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.894 1.326 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.850 0.121 -7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.756 1.856 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.878 1.208 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.151 -0.663 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.237 0.390 -4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.012 0.497 -4.270 1.00 0.00 H new ATOM 246 N PRO A 16 -10.624 3.814 -8.152 1.00 0.00 N ATOM 247 CA PRO A 16 -11.940 4.014 -8.771 1.00 0.00 C ATOM 248 C PRO A 16 -12.958 3.023 -8.224 1.00 0.00 C ATOM 249 O PRO A 16 -14.169 3.236 -8.292 1.00 0.00 O ATOM 250 CB PRO A 16 -11.674 3.758 -10.259 1.00 0.00 C ATOM 251 CG PRO A 16 -10.505 2.828 -10.291 1.00 0.00 C ATOM 252 CD PRO A 16 -9.683 3.124 -9.060 1.00 0.00 C ATOM 0 HA PRO A 16 -12.356 5.002 -8.575 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.544 3.315 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.454 4.687 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.836 1.790 -10.295 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.916 2.978 -11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.295 2.210 -8.611 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.824 3.753 -9.296 1.00 0.00 H new ATOM 260 N THR A 17 -12.432 1.948 -7.670 1.00 0.00 N ATOM 261 CA THR A 17 -13.211 0.861 -7.143 1.00 0.00 C ATOM 262 C THR A 17 -13.125 0.859 -5.611 1.00 0.00 C ATOM 263 O THR A 17 -12.059 1.122 -5.055 1.00 0.00 O ATOM 264 CB THR A 17 -12.653 -0.451 -7.728 1.00 0.00 C ATOM 265 OG1 THR A 17 -12.813 -0.453 -9.155 1.00 0.00 O ATOM 266 CG2 THR A 17 -13.322 -1.670 -7.134 1.00 0.00 C ATOM 0 H THR A 17 -11.426 1.810 -7.575 1.00 0.00 H new ATOM 0 HA THR A 17 -14.260 0.966 -7.419 1.00 0.00 H new ATOM 0 HB THR A 17 -11.595 -0.502 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.933 -0.505 -9.583 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.896 -2.571 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.161 -1.684 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.392 -1.635 -7.341 1.00 0.00 H new ATOM 274 N PRO A 18 -14.245 0.597 -4.907 1.00 0.00 N ATOM 275 CA PRO A 18 -14.272 0.607 -3.437 1.00 0.00 C ATOM 276 C PRO A 18 -13.280 -0.393 -2.834 1.00 0.00 C ATOM 277 O PRO A 18 -13.319 -1.583 -3.150 1.00 0.00 O ATOM 278 CB PRO A 18 -15.726 0.223 -3.092 1.00 0.00 C ATOM 279 CG PRO A 18 -16.272 -0.397 -4.336 1.00 0.00 C ATOM 280 CD PRO A 18 -15.565 0.275 -5.480 1.00 0.00 C ATOM 0 HA PRO A 18 -13.978 1.574 -3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.761 -0.475 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.306 1.099 -2.801 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.095 -1.472 -4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.350 -0.251 -4.404 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.480 -0.383 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.091 1.170 -5.810 1.00 0.00 H new ATOM 288 N VAL A 19 -12.404 0.100 -1.956 1.00 0.00 N ATOM 289 CA VAL A 19 -11.377 -0.729 -1.313 1.00 0.00 C ATOM 290 C VAL A 19 -12.007 -1.921 -0.587 1.00 0.00 C ATOM 291 O VAL A 19 -11.368 -2.955 -0.398 1.00 0.00 O ATOM 292 CB VAL A 19 -10.535 0.105 -0.307 1.00 0.00 C ATOM 293 CG1 VAL A 19 -9.438 -0.744 0.342 1.00 0.00 C ATOM 294 CG2 VAL A 19 -9.935 1.333 -0.994 1.00 0.00 C ATOM 0 H VAL A 19 -12.384 1.079 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 19 -10.721 -1.101 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.203 0.444 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.868 -0.130 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.892 -1.577 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.772 -1.130 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.349 1.903 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.291 1.013 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.737 1.959 -1.386 1.00 0.00 H new ATOM 304 N ASP A 20 -13.274 -1.774 -0.207 1.00 0.00 N ATOM 305 CA ASP A 20 -14.010 -2.835 0.490 1.00 0.00 C ATOM 306 C ASP A 20 -14.030 -4.139 -0.319 1.00 0.00 C ATOM 307 O ASP A 20 -14.162 -5.227 0.246 1.00 0.00 O ATOM 308 CB ASP A 20 -15.448 -2.378 0.779 1.00 0.00 C ATOM 309 CG ASP A 20 -16.290 -3.452 1.456 1.00 0.00 C ATOM 310 OD1 ASP A 20 -16.057 -3.739 2.648 1.00 0.00 O ATOM 311 OD2 ASP A 20 -17.195 -4.014 0.798 1.00 0.00 O ATOM 0 H ASP A 20 -13.818 -0.927 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.494 -3.032 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -15.421 -1.492 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -15.925 -2.086 -0.156 1.00 0.00 H new ATOM 316 N THR A 21 -13.891 -4.028 -1.639 1.00 0.00 N ATOM 317 CA THR A 21 -13.943 -5.198 -2.514 1.00 0.00 C ATOM 318 C THR A 21 -12.610 -5.951 -2.507 1.00 0.00 C ATOM 319 O THR A 21 -12.563 -7.151 -2.784 1.00 0.00 O ATOM 320 CB THR A 21 -14.318 -4.805 -3.968 1.00 0.00 C ATOM 321 OG1 THR A 21 -14.756 -5.960 -4.699 1.00 0.00 O ATOM 322 CG2 THR A 21 -13.139 -4.174 -4.701 1.00 0.00 C ATOM 0 H THR A 21 -13.742 -3.143 -2.125 1.00 0.00 H new ATOM 0 HA THR A 21 -14.720 -5.855 -2.124 1.00 0.00 H new ATOM 0 HB THR A 21 -15.124 -4.074 -3.908 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.991 -5.698 -5.614 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.439 -3.912 -5.716 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.821 -3.275 -4.173 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.312 -4.883 -4.739 1.00 0.00 H new ATOM 330 N ILE A 22 -11.530 -5.247 -2.175 1.00 0.00 N ATOM 331 CA ILE A 22 -10.196 -5.842 -2.147 1.00 0.00 C ATOM 332 C ILE A 22 -9.726 -6.040 -0.704 1.00 0.00 C ATOM 333 O ILE A 22 -10.456 -5.740 0.243 1.00 0.00 O ATOM 334 CB ILE A 22 -9.162 -4.981 -2.931 1.00 0.00 C ATOM 335 CG1 ILE A 22 -9.132 -3.539 -2.398 1.00 0.00 C ATOM 336 CG2 ILE A 22 -9.465 -5.003 -4.433 1.00 0.00 C ATOM 337 CD1 ILE A 22 -8.131 -2.644 -3.098 1.00 0.00 C ATOM 0 H ILE A 22 -11.553 -4.260 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.264 -6.813 -2.638 1.00 0.00 H new ATOM 0 HB ILE A 22 -8.174 -5.416 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -10.126 -3.104 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.902 -3.561 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.730 -4.395 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.418 -6.029 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.463 -4.601 -4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.171 -1.645 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.128 -3.053 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.372 -2.589 -4.160 1.00 0.00 H new ATOM 349 N ALA A 23 -8.509 -6.548 -0.545 1.00 0.00 N ATOM 350 CA ALA A 23 -7.957 -6.840 0.773 1.00 0.00 C ATOM 351 C ALA A 23 -6.441 -6.930 0.701 1.00 0.00 C ATOM 352 O ALA A 23 -5.868 -6.975 -0.388 1.00 0.00 O ATOM 353 CB ALA A 23 -8.540 -8.141 1.320 1.00 0.00 C ATOM 0 H ALA A 23 -7.882 -6.768 -1.319 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.227 -6.029 1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.117 -8.344 2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.623 -8.048 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.296 -8.961 0.645 1.00 0.00 H new ATOM 359 N ASP A 24 -5.805 -6.977 1.865 1.00 0.00 N ATOM 360 CA ASP A 24 -4.346 -7.061 1.963 1.00 0.00 C ATOM 361 C ASP A 24 -3.815 -8.377 1.383 1.00 0.00 C ATOM 362 O ASP A 24 -2.620 -8.499 1.094 1.00 0.00 O ATOM 363 CB ASP A 24 -3.914 -6.911 3.429 1.00 0.00 C ATOM 364 CG ASP A 24 -4.670 -7.844 4.357 1.00 0.00 C ATOM 365 OD1 ASP A 24 -4.231 -8.993 4.546 1.00 0.00 O ATOM 366 OD2 ASP A 24 -5.723 -7.433 4.889 1.00 0.00 O ATOM 0 H ASP A 24 -6.281 -6.958 2.767 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.920 -6.248 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.845 -7.109 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.072 -5.881 3.747 1.00 0.00 H new ATOM 371 N GLU A 25 -4.702 -9.357 1.221 1.00 0.00 N ATOM 372 CA GLU A 25 -4.341 -10.650 0.635 1.00 0.00 C ATOM 373 C GLU A 25 -4.844 -10.760 -0.805 1.00 0.00 C ATOM 374 O GLU A 25 -4.694 -11.806 -1.441 1.00 0.00 O ATOM 375 CB GLU A 25 -4.934 -11.793 1.472 1.00 0.00 C ATOM 376 CG GLU A 25 -4.453 -11.815 2.917 1.00 0.00 C ATOM 377 CD GLU A 25 -5.058 -12.950 3.726 1.00 0.00 C ATOM 378 OE1 GLU A 25 -6.190 -12.792 4.227 1.00 0.00 O ATOM 379 OE2 GLU A 25 -4.403 -14.001 3.870 1.00 0.00 O ATOM 0 H GLU A 25 -5.683 -9.281 1.489 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.254 -10.725 0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.021 -11.711 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.682 -12.743 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.367 -11.904 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.701 -10.865 3.391 1.00 0.00 H new ATOM 386 N ALA A 26 -5.423 -9.681 -1.324 1.00 0.00 N ATOM 387 CA ALA A 26 -6.071 -9.711 -2.636 1.00 0.00 C ATOM 388 C ALA A 26 -5.311 -8.876 -3.664 1.00 0.00 C ATOM 389 O ALA A 26 -4.461 -8.056 -3.313 1.00 0.00 O ATOM 390 CB ALA A 26 -7.512 -9.229 -2.518 1.00 0.00 C ATOM 0 H ALA A 26 -5.458 -8.774 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.065 -10.743 -2.987 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.986 -9.255 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.058 -9.879 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.524 -8.208 -2.136 1.00 0.00 H new ATOM 396 N ASP A 27 -5.632 -9.091 -4.937 1.00 0.00 N ATOM 397 CA ASP A 27 -5.012 -8.355 -6.034 1.00 0.00 C ATOM 398 C ASP A 27 -5.490 -6.905 -6.018 1.00 0.00 C ATOM 399 O ASP A 27 -6.536 -6.586 -6.588 1.00 0.00 O ATOM 400 CB ASP A 27 -5.363 -8.999 -7.389 1.00 0.00 C ATOM 401 CG ASP A 27 -5.073 -10.492 -7.444 1.00 0.00 C ATOM 402 OD1 ASP A 27 -5.925 -11.285 -6.980 1.00 0.00 O ATOM 403 OD2 ASP A 27 -3.998 -10.885 -7.951 1.00 0.00 O ATOM 0 H ASP A 27 -6.326 -9.777 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.930 -8.386 -5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.420 -8.834 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.801 -8.498 -8.177 1.00 0.00 H new ATOM 408 N LEU A 28 -4.744 -6.039 -5.335 1.00 0.00 N ATOM 409 CA LEU A 28 -5.098 -4.622 -5.227 1.00 0.00 C ATOM 410 C LEU A 28 -5.248 -3.983 -6.608 1.00 0.00 C ATOM 411 O LEU A 28 -6.211 -3.261 -6.875 1.00 0.00 O ATOM 412 CB LEU A 28 -4.035 -3.859 -4.423 1.00 0.00 C ATOM 413 CG LEU A 28 -3.770 -4.379 -3.000 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.736 -3.502 -2.296 1.00 0.00 C ATOM 415 CD2 LEU A 28 -5.066 -4.442 -2.191 1.00 0.00 C ATOM 0 H LEU A 28 -3.886 -6.294 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.055 -4.562 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.098 -3.885 -4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.337 -2.814 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.372 -5.391 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.560 -3.883 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.803 -3.517 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.107 -2.479 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.852 -4.813 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.502 -3.445 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.770 -5.113 -2.683 1.00 0.00 H new ATOM 427 N TYR A 29 -4.291 -4.265 -7.486 1.00 0.00 N ATOM 428 CA TYR A 29 -4.269 -3.673 -8.823 1.00 0.00 C ATOM 429 C TYR A 29 -5.470 -4.108 -9.662 1.00 0.00 C ATOM 430 O TYR A 29 -5.836 -3.428 -10.621 1.00 0.00 O ATOM 431 CB TYR A 29 -2.949 -3.988 -9.545 1.00 0.00 C ATOM 432 CG TYR A 29 -2.537 -5.449 -9.511 1.00 0.00 C ATOM 433 CD1 TYR A 29 -3.032 -6.362 -10.436 1.00 0.00 C ATOM 434 CD2 TYR A 29 -1.636 -5.910 -8.556 1.00 0.00 C ATOM 435 CE1 TYR A 29 -2.643 -7.688 -10.407 1.00 0.00 C ATOM 436 CE2 TYR A 29 -1.242 -7.232 -8.525 1.00 0.00 C ATOM 437 CZ TYR A 29 -1.745 -8.115 -9.451 1.00 0.00 C ATOM 438 OH TYR A 29 -1.350 -9.432 -9.421 1.00 0.00 O ATOM 0 H TYR A 29 -3.517 -4.902 -7.297 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.339 -2.593 -8.697 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.036 -3.674 -10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.155 -3.391 -9.097 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.731 -6.030 -11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.238 -5.221 -7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.040 -8.386 -11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.541 -7.572 -7.776 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.059 -9.977 -9.019 1.00 0.00 H new ATOM 448 N ALA A 30 -6.090 -5.230 -9.299 1.00 0.00 N ATOM 449 CA ALA A 30 -7.280 -5.705 -10.003 1.00 0.00 C ATOM 450 C ALA A 30 -8.407 -4.677 -9.895 1.00 0.00 C ATOM 451 O ALA A 30 -9.196 -4.499 -10.827 1.00 0.00 O ATOM 452 CB ALA A 30 -7.728 -7.055 -9.456 1.00 0.00 C ATOM 0 H ALA A 30 -5.790 -5.824 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.029 -5.834 -11.056 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.615 -7.389 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.928 -7.784 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.962 -6.959 -8.396 1.00 0.00 H new ATOM 458 N ALA A 31 -8.441 -3.973 -8.761 1.00 0.00 N ATOM 459 CA ALA A 31 -9.444 -2.932 -8.513 1.00 0.00 C ATOM 460 C ALA A 31 -9.112 -1.649 -9.278 1.00 0.00 C ATOM 461 O ALA A 31 -9.779 -0.627 -9.122 1.00 0.00 O ATOM 462 CB ALA A 31 -9.548 -2.652 -7.018 1.00 0.00 C ATOM 0 H ALA A 31 -7.781 -4.106 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.407 -3.293 -8.873 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.295 -1.878 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.841 -3.563 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.582 -2.315 -6.643 1.00 0.00 H new ATOM 468 N GLY A 32 -8.065 -1.713 -10.090 1.00 0.00 N ATOM 469 CA GLY A 32 -7.711 -0.598 -10.952 1.00 0.00 C ATOM 470 C GLY A 32 -6.718 0.346 -10.308 1.00 0.00 C ATOM 471 O GLY A 32 -6.647 1.525 -10.670 1.00 0.00 O ATOM 0 H GLY A 32 -7.450 -2.523 -10.168 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.291 -0.982 -11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.614 -0.046 -11.214 1.00 0.00 H new ATOM 475 N LEU A 33 -5.953 -0.169 -9.348 1.00 0.00 N ATOM 476 CA LEU A 33 -4.930 0.622 -8.670 1.00 0.00 C ATOM 477 C LEU A 33 -3.907 1.130 -9.683 1.00 0.00 C ATOM 478 O LEU A 33 -3.104 0.358 -10.208 1.00 0.00 O ATOM 479 CB LEU A 33 -4.239 -0.215 -7.582 1.00 0.00 C ATOM 480 CG LEU A 33 -3.205 0.534 -6.721 1.00 0.00 C ATOM 481 CD1 LEU A 33 -3.864 1.664 -5.934 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.487 -0.433 -5.779 1.00 0.00 C ATOM 0 H LEU A 33 -6.023 -1.133 -9.022 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.406 1.478 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.005 -0.625 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.743 -1.060 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.466 0.976 -7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.112 2.177 -5.334 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.320 2.372 -6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.631 1.252 -5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.761 0.115 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.215 -0.909 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.973 -1.196 -6.364 1.00 0.00 H new ATOM 494 N SER A 34 -3.976 2.423 -9.979 1.00 0.00 N ATOM 495 CA SER A 34 -3.069 3.051 -10.930 1.00 0.00 C ATOM 496 C SER A 34 -1.985 3.822 -10.182 1.00 0.00 C ATOM 497 O SER A 34 -2.159 4.157 -9.006 1.00 0.00 O ATOM 498 CB SER A 34 -3.859 3.986 -11.857 1.00 0.00 C ATOM 499 OG SER A 34 -4.972 3.309 -12.430 1.00 0.00 O ATOM 0 H SER A 34 -4.658 3.061 -9.569 1.00 0.00 H new ATOM 0 HA SER A 34 -2.589 2.283 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.205 4.854 -11.296 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.207 4.357 -12.648 1.00 0.00 H new ATOM 0 HG SER A 34 -5.508 2.900 -11.719 1.00 0.00 H new ATOM 505 N SER A 35 -0.884 4.115 -10.874 1.00 0.00 N ATOM 506 CA SER A 35 0.264 4.796 -10.277 1.00 0.00 C ATOM 507 C SER A 35 -0.164 6.033 -9.483 1.00 0.00 C ATOM 508 O SER A 35 0.327 6.266 -8.381 1.00 0.00 O ATOM 509 CB SER A 35 1.271 5.185 -11.369 1.00 0.00 C ATOM 510 OG SER A 35 2.353 5.941 -10.845 1.00 0.00 O ATOM 0 H SER A 35 -0.763 3.888 -11.861 1.00 0.00 H new ATOM 0 HA SER A 35 0.738 4.105 -9.580 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.655 4.284 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.764 5.763 -12.141 1.00 0.00 H new ATOM 0 HG SER A 35 2.974 6.169 -11.568 1.00 0.00 H new ATOM 516 N PHE A 36 -1.102 6.804 -10.036 1.00 0.00 N ATOM 517 CA PHE A 36 -1.577 8.036 -9.393 1.00 0.00 C ATOM 518 C PHE A 36 -2.095 7.759 -7.978 1.00 0.00 C ATOM 519 O PHE A 36 -1.891 8.559 -7.063 1.00 0.00 O ATOM 520 CB PHE A 36 -2.684 8.690 -10.233 1.00 0.00 C ATOM 521 CG PHE A 36 -2.273 8.985 -11.657 1.00 0.00 C ATOM 522 CD1 PHE A 36 -1.364 9.996 -11.937 1.00 0.00 C ATOM 523 CD2 PHE A 36 -2.793 8.248 -12.713 1.00 0.00 C ATOM 524 CE1 PHE A 36 -0.985 10.266 -13.238 1.00 0.00 C ATOM 525 CE2 PHE A 36 -2.417 8.516 -14.016 1.00 0.00 C ATOM 526 CZ PHE A 36 -1.512 9.525 -14.278 1.00 0.00 C ATOM 0 H PHE A 36 -1.550 6.599 -10.929 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.731 8.719 -9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.555 8.034 -10.244 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.991 9.619 -9.753 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.948 10.579 -11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.500 7.456 -12.514 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.277 11.056 -13.442 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.831 7.937 -14.828 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.216 9.735 -15.295 1.00 0.00 H new ATOM 536 N ALA A 37 -2.762 6.625 -7.803 1.00 0.00 N ATOM 537 CA ALA A 37 -3.277 6.236 -6.496 1.00 0.00 C ATOM 538 C ALA A 37 -2.158 5.662 -5.633 1.00 0.00 C ATOM 539 O ALA A 37 -2.086 5.919 -4.428 1.00 0.00 O ATOM 540 CB ALA A 37 -4.415 5.229 -6.646 1.00 0.00 C ATOM 0 H ALA A 37 -2.959 5.959 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.671 7.123 -6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.787 4.950 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.223 5.676 -7.225 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.049 4.340 -7.160 1.00 0.00 H new ATOM 546 N SER A 38 -1.275 4.900 -6.272 1.00 0.00 N ATOM 547 CA SER A 38 -0.178 4.231 -5.587 1.00 0.00 C ATOM 548 C SER A 38 0.827 5.235 -5.013 1.00 0.00 C ATOM 549 O SER A 38 1.374 5.022 -3.932 1.00 0.00 O ATOM 550 CB SER A 38 0.526 3.275 -6.555 1.00 0.00 C ATOM 551 OG SER A 38 -0.402 2.392 -7.161 1.00 0.00 O ATOM 0 H SER A 38 -1.301 4.730 -7.277 1.00 0.00 H new ATOM 0 HA SER A 38 -0.594 3.668 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.045 3.847 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.283 2.702 -6.020 1.00 0.00 H new ATOM 0 HG SER A 38 -0.927 2.878 -7.830 1.00 0.00 H new ATOM 557 N VAL A 39 1.062 6.330 -5.731 1.00 0.00 N ATOM 558 CA VAL A 39 2.039 7.327 -5.295 1.00 0.00 C ATOM 559 C VAL A 39 1.550 8.054 -4.044 1.00 0.00 C ATOM 560 O VAL A 39 2.332 8.331 -3.132 1.00 0.00 O ATOM 561 CB VAL A 39 2.377 8.355 -6.410 1.00 0.00 C ATOM 562 CG1 VAL A 39 3.054 7.668 -7.594 1.00 0.00 C ATOM 563 CG2 VAL A 39 1.130 9.111 -6.863 1.00 0.00 C ATOM 0 H VAL A 39 0.594 6.550 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 39 2.955 6.785 -5.061 1.00 0.00 H new ATOM 0 HB VAL A 39 3.074 9.082 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.281 8.407 -8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.978 7.195 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.387 6.911 -8.005 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.399 9.823 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.398 8.404 -7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.701 9.647 -6.016 1.00 0.00 H new ATOM 573 N GLN A 40 0.251 8.332 -3.985 1.00 0.00 N ATOM 574 CA GLN A 40 -0.334 8.977 -2.813 1.00 0.00 C ATOM 575 C GLN A 40 -0.215 8.056 -1.606 1.00 0.00 C ATOM 576 O GLN A 40 -0.003 8.505 -0.475 1.00 0.00 O ATOM 577 CB GLN A 40 -1.802 9.346 -3.070 1.00 0.00 C ATOM 578 CG GLN A 40 -1.990 10.411 -4.148 1.00 0.00 C ATOM 579 CD GLN A 40 -1.313 11.728 -3.804 1.00 0.00 C ATOM 580 OE1 GLN A 40 -1.180 12.089 -2.632 1.00 0.00 O ATOM 581 NE2 GLN A 40 -0.887 12.459 -4.822 1.00 0.00 N ATOM 0 H GLN A 40 -0.414 8.122 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 40 0.212 9.899 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.347 8.448 -3.361 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.246 9.701 -2.140 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.592 10.039 -5.092 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.056 10.585 -4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.015 12.126 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.430 13.355 -4.651 1.00 0.00 H new ATOM 590 N LEU A 41 -0.343 6.761 -1.871 1.00 0.00 N ATOM 591 CA LEU A 41 -0.101 5.728 -0.874 1.00 0.00 C ATOM 592 C LEU A 41 1.303 5.886 -0.283 1.00 0.00 C ATOM 593 O LEU A 41 1.493 5.760 0.925 1.00 0.00 O ATOM 594 CB LEU A 41 -0.298 4.333 -1.518 1.00 0.00 C ATOM 595 CG LEU A 41 0.718 3.233 -1.137 1.00 0.00 C ATOM 596 CD1 LEU A 41 0.554 2.794 0.318 1.00 0.00 C ATOM 597 CD2 LEU A 41 0.582 2.034 -2.075 1.00 0.00 C ATOM 0 H LEU A 41 -0.618 6.399 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.814 5.829 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.295 3.978 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.276 4.454 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 41 1.718 3.654 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.285 2.020 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.711 3.649 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.451 2.400 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.305 1.268 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.426 1.627 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.771 2.351 -3.101 1.00 0.00 H new ATOM 609 N MET A 42 2.273 6.198 -1.137 1.00 0.00 N ATOM 610 CA MET A 42 3.669 6.299 -0.711 1.00 0.00 C ATOM 611 C MET A 42 3.880 7.518 0.183 1.00 0.00 C ATOM 612 O MET A 42 4.338 7.395 1.320 1.00 0.00 O ATOM 613 CB MET A 42 4.598 6.401 -1.927 1.00 0.00 C ATOM 614 CG MET A 42 4.301 5.391 -3.022 1.00 0.00 C ATOM 615 SD MET A 42 5.488 5.468 -4.378 1.00 0.00 S ATOM 616 CE MET A 42 4.834 4.212 -5.477 1.00 0.00 C ATOM 0 H MET A 42 2.120 6.386 -2.128 1.00 0.00 H new ATOM 0 HA MET A 42 3.907 5.397 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.524 7.405 -2.344 1.00 0.00 H new ATOM 0 HB3 MET A 42 5.628 6.269 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 42 4.306 4.388 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.298 5.567 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.463 4.142 -6.364 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.822 3.250 -4.964 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.819 4.479 -5.772 1.00 0.00 H new ATOM 626 N LEU A 43 3.526 8.692 -0.339 1.00 0.00 N ATOM 627 CA LEU A 43 3.751 9.960 0.360 1.00 0.00 C ATOM 628 C LEU A 43 3.074 9.966 1.730 1.00 0.00 C ATOM 629 O LEU A 43 3.698 10.311 2.737 1.00 0.00 O ATOM 630 CB LEU A 43 3.245 11.148 -0.481 1.00 0.00 C ATOM 631 CG LEU A 43 4.183 11.617 -1.614 1.00 0.00 C ATOM 632 CD1 LEU A 43 4.456 10.499 -2.616 1.00 0.00 C ATOM 633 CD2 LEU A 43 3.596 12.841 -2.318 1.00 0.00 C ATOM 0 H LEU A 43 3.079 8.793 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 43 4.826 10.065 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.285 10.876 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.063 11.990 0.187 1.00 0.00 H new ATOM 0 HG LEU A 43 5.137 11.894 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.120 10.866 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.927 9.659 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.516 10.172 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.268 13.160 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.625 12.585 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.475 13.651 -1.599 1.00 0.00 H new ATOM 645 N GLY A 44 1.807 9.562 1.766 1.00 0.00 N ATOM 646 CA GLY A 44 1.059 9.588 3.008 1.00 0.00 C ATOM 647 C GLY A 44 1.594 8.594 4.018 1.00 0.00 C ATOM 648 O GLY A 44 1.626 8.869 5.216 1.00 0.00 O ATOM 0 H GLY A 44 1.287 9.218 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.097 10.591 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.011 9.368 2.804 1.00 0.00 H new ATOM 652 N ILE A 45 2.019 7.436 3.525 1.00 0.00 N ATOM 653 CA ILE A 45 2.555 6.381 4.379 1.00 0.00 C ATOM 654 C ILE A 45 3.944 6.753 4.907 1.00 0.00 C ATOM 655 O ILE A 45 4.294 6.413 6.043 1.00 0.00 O ATOM 656 CB ILE A 45 2.579 5.015 3.627 1.00 0.00 C ATOM 657 CG1 ILE A 45 1.261 4.251 3.869 1.00 0.00 C ATOM 658 CG2 ILE A 45 3.785 4.159 4.012 1.00 0.00 C ATOM 659 CD1 ILE A 45 0.999 3.921 5.325 1.00 0.00 C ATOM 0 H ILE A 45 2.003 7.203 2.532 1.00 0.00 H new ATOM 0 HA ILE A 45 1.894 6.274 5.239 1.00 0.00 H new ATOM 0 HB ILE A 45 2.675 5.229 2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.432 4.847 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.279 3.325 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.755 3.219 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.703 4.693 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.758 3.953 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.054 3.384 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.807 3.298 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.947 4.843 5.903 1.00 0.00 H new ATOM 671 N GLU A 46 4.716 7.478 4.095 1.00 0.00 N ATOM 672 CA GLU A 46 6.039 7.939 4.509 1.00 0.00 C ATOM 673 C GLU A 46 5.922 8.795 5.766 1.00 0.00 C ATOM 674 O GLU A 46 6.545 8.515 6.792 1.00 0.00 O ATOM 675 CB GLU A 46 6.714 8.746 3.387 1.00 0.00 C ATOM 676 CG GLU A 46 8.100 9.269 3.762 1.00 0.00 C ATOM 677 CD GLU A 46 8.729 10.134 2.680 1.00 0.00 C ATOM 678 OE1 GLU A 46 9.359 9.581 1.753 1.00 0.00 O ATOM 679 OE2 GLU A 46 8.607 11.377 2.755 1.00 0.00 O ATOM 0 H GLU A 46 4.448 7.757 3.151 1.00 0.00 H new ATOM 0 HA GLU A 46 6.655 7.066 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.799 8.119 2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.076 9.589 3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.026 9.848 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.756 8.424 3.969 1.00 0.00 H new ATOM 686 N GLU A 47 5.091 9.822 5.682 1.00 0.00 N ATOM 687 CA GLU A 47 4.866 10.729 6.799 1.00 0.00 C ATOM 688 C GLU A 47 4.102 10.028 7.922 1.00 0.00 C ATOM 689 O GLU A 47 4.226 10.396 9.094 1.00 0.00 O ATOM 690 CB GLU A 47 4.124 11.988 6.330 1.00 0.00 C ATOM 691 CG GLU A 47 2.758 11.721 5.709 1.00 0.00 C ATOM 692 CD GLU A 47 2.097 12.989 5.195 1.00 0.00 C ATOM 693 OE1 GLU A 47 1.792 13.880 6.016 1.00 0.00 O ATOM 694 OE2 GLU A 47 1.886 13.109 3.970 1.00 0.00 O ATOM 0 H GLU A 47 4.556 10.050 4.844 1.00 0.00 H new ATOM 0 HA GLU A 47 5.835 11.034 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.998 12.658 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.745 12.510 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.868 11.013 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.111 11.252 6.450 1.00 0.00 H new ATOM 701 N ALA A 48 3.290 9.034 7.553 1.00 0.00 N ATOM 702 CA ALA A 48 2.456 8.317 8.514 1.00 0.00 C ATOM 703 C ALA A 48 3.280 7.659 9.625 1.00 0.00 C ATOM 704 O ALA A 48 2.979 7.849 10.808 1.00 0.00 O ATOM 705 CB ALA A 48 1.602 7.269 7.808 1.00 0.00 C ATOM 0 H ALA A 48 3.194 8.708 6.591 1.00 0.00 H new ATOM 0 HA ALA A 48 1.807 9.057 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.988 6.746 8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.957 7.757 7.077 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.249 6.554 7.301 1.00 0.00 H new ATOM 711 N PHE A 49 4.321 6.892 9.270 1.00 0.00 N ATOM 712 CA PHE A 49 5.114 6.210 10.301 1.00 0.00 C ATOM 713 C PHE A 49 6.624 6.453 10.185 1.00 0.00 C ATOM 714 O PHE A 49 7.301 6.523 11.213 1.00 0.00 O ATOM 715 CB PHE A 49 4.809 4.699 10.337 1.00 0.00 C ATOM 716 CG PHE A 49 5.206 3.920 9.105 1.00 0.00 C ATOM 717 CD1 PHE A 49 6.511 3.472 8.936 1.00 0.00 C ATOM 718 CD2 PHE A 49 4.271 3.613 8.127 1.00 0.00 C ATOM 719 CE1 PHE A 49 6.873 2.742 7.822 1.00 0.00 C ATOM 720 CE2 PHE A 49 4.631 2.883 7.010 1.00 0.00 C ATOM 721 CZ PHE A 49 5.933 2.446 6.857 1.00 0.00 C ATOM 0 H PHE A 49 4.626 6.732 8.310 1.00 0.00 H new ATOM 0 HA PHE A 49 4.805 6.657 11.246 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.317 4.265 11.198 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.739 4.567 10.499 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.253 3.699 9.688 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.251 3.948 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.892 2.403 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.893 2.654 6.255 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.214 1.875 5.985 1.00 0.00 H new ATOM 731 N ASP A 50 7.164 6.600 8.966 1.00 0.00 N ATOM 732 CA ASP A 50 8.621 6.766 8.809 1.00 0.00 C ATOM 733 C ASP A 50 9.027 6.977 7.346 1.00 0.00 C ATOM 734 O ASP A 50 9.426 8.080 6.963 1.00 0.00 O ATOM 735 CB ASP A 50 9.365 5.548 9.387 1.00 0.00 C ATOM 736 CG ASP A 50 10.852 5.802 9.598 1.00 0.00 C ATOM 737 OD1 ASP A 50 11.205 6.605 10.490 1.00 0.00 O ATOM 738 OD2 ASP A 50 11.678 5.193 8.897 1.00 0.00 O ATOM 0 H ASP A 50 6.633 6.608 8.095 1.00 0.00 H new ATOM 0 HA ASP A 50 8.902 7.662 9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.911 5.270 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.239 4.700 8.714 1.00 0.00 H new ATOM 743 N ILE A 51 8.918 5.926 6.528 1.00 0.00 N ATOM 744 CA ILE A 51 9.365 5.981 5.126 1.00 0.00 C ATOM 745 C ILE A 51 8.353 5.323 4.193 1.00 0.00 C ATOM 746 O ILE A 51 7.359 4.747 4.643 1.00 0.00 O ATOM 747 CB ILE A 51 10.754 5.301 4.898 1.00 0.00 C ATOM 748 CG1 ILE A 51 10.681 3.759 5.045 1.00 0.00 C ATOM 749 CG2 ILE A 51 11.814 5.891 5.826 1.00 0.00 C ATOM 750 CD1 ILE A 51 10.231 3.256 6.405 1.00 0.00 C ATOM 0 H ILE A 51 8.526 5.027 6.808 1.00 0.00 H new ATOM 0 HA ILE A 51 9.457 7.043 4.897 1.00 0.00 H new ATOM 0 HB ILE A 51 11.047 5.511 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.999 3.371 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.665 3.343 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.770 5.399 5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.913 6.959 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.516 5.736 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.214 2.166 6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.924 3.606 7.170 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.232 3.634 6.620 1.00 0.00 H new ATOM 762 N GLU A 52 8.618 5.423 2.893 1.00 0.00 N ATOM 763 CA GLU A 52 7.798 4.781 1.872 1.00 0.00 C ATOM 764 C GLU A 52 8.545 3.603 1.248 1.00 0.00 C ATOM 765 O GLU A 52 9.739 3.414 1.484 1.00 0.00 O ATOM 766 CB GLU A 52 7.338 5.799 0.807 1.00 0.00 C ATOM 767 CG GLU A 52 8.379 6.854 0.416 1.00 0.00 C ATOM 768 CD GLU A 52 9.501 6.328 -0.465 1.00 0.00 C ATOM 769 OE1 GLU A 52 9.318 6.287 -1.702 1.00 0.00 O ATOM 770 OE2 GLU A 52 10.578 5.986 0.066 1.00 0.00 O ATOM 0 H GLU A 52 9.407 5.951 2.519 1.00 0.00 H new ATOM 0 HA GLU A 52 6.899 4.388 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.043 5.254 -0.090 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.449 6.310 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.876 7.669 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.812 7.274 1.324 1.00 0.00 H new ATOM 777 N PHE A 53 7.820 2.803 0.480 1.00 0.00 N ATOM 778 CA PHE A 53 8.344 1.558 -0.075 1.00 0.00 C ATOM 779 C PHE A 53 9.506 1.808 -1.046 1.00 0.00 C ATOM 780 O PHE A 53 9.365 2.567 -2.004 1.00 0.00 O ATOM 781 CB PHE A 53 7.214 0.808 -0.783 1.00 0.00 C ATOM 782 CG PHE A 53 6.014 0.573 0.098 1.00 0.00 C ATOM 783 CD1 PHE A 53 6.152 -0.049 1.331 1.00 0.00 C ATOM 784 CD2 PHE A 53 4.751 0.989 -0.299 1.00 0.00 C ATOM 785 CE1 PHE A 53 5.056 -0.258 2.146 1.00 0.00 C ATOM 786 CE2 PHE A 53 3.652 0.785 0.515 1.00 0.00 C ATOM 787 CZ PHE A 53 3.806 0.162 1.738 1.00 0.00 C ATOM 0 H PHE A 53 6.852 2.996 0.223 1.00 0.00 H new ATOM 0 HA PHE A 53 8.734 0.956 0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.906 1.374 -1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.590 -0.152 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.129 -0.374 1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.625 1.477 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.177 -0.749 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.674 1.113 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.948 0.003 2.375 1.00 0.00 H new ATOM 797 N PRO A 54 10.669 1.158 -0.814 1.00 0.00 N ATOM 798 CA PRO A 54 11.859 1.323 -1.662 1.00 0.00 C ATOM 799 C PRO A 54 11.711 0.645 -3.030 1.00 0.00 C ATOM 800 O PRO A 54 10.944 -0.311 -3.189 1.00 0.00 O ATOM 801 CB PRO A 54 12.968 0.652 -0.841 1.00 0.00 C ATOM 802 CG PRO A 54 12.254 -0.391 -0.054 1.00 0.00 C ATOM 803 CD PRO A 54 10.924 0.222 0.304 1.00 0.00 C ATOM 0 HA PRO A 54 12.052 2.370 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.731 0.214 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.472 1.367 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.123 -1.303 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.815 -0.662 0.840 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.141 -0.533 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.965 0.741 1.262 1.00 0.00 H new ATOM 811 N ASP A 55 12.476 1.142 -4.003 1.00 0.00 N ATOM 812 CA ASP A 55 12.435 0.648 -5.385 1.00 0.00 C ATOM 813 C ASP A 55 12.623 -0.864 -5.444 1.00 0.00 C ATOM 814 O ASP A 55 12.044 -1.538 -6.296 1.00 0.00 O ATOM 815 CB ASP A 55 13.524 1.332 -6.227 1.00 0.00 C ATOM 816 CG ASP A 55 13.374 2.845 -6.272 1.00 0.00 C ATOM 817 OD1 ASP A 55 13.606 3.500 -5.233 1.00 0.00 O ATOM 818 OD2 ASP A 55 13.038 3.394 -7.344 1.00 0.00 O ATOM 0 H ASP A 55 13.143 1.900 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 55 11.452 0.888 -5.791 1.00 0.00 H new ATOM 0 HB2 ASP A 55 14.503 1.081 -5.819 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.492 0.938 -7.243 1.00 0.00 H new ATOM 823 N ASN A 56 13.412 -1.386 -4.509 1.00 0.00 N ATOM 824 CA ASN A 56 13.759 -2.809 -4.471 1.00 0.00 C ATOM 825 C ASN A 56 12.526 -3.709 -4.400 1.00 0.00 C ATOM 826 O ASN A 56 12.608 -4.895 -4.713 1.00 0.00 O ATOM 827 CB ASN A 56 14.690 -3.102 -3.283 1.00 0.00 C ATOM 828 CG ASN A 56 16.100 -2.579 -3.506 1.00 0.00 C ATOM 829 OD1 ASN A 56 16.585 -2.534 -4.636 1.00 0.00 O ATOM 830 ND2 ASN A 56 16.769 -2.183 -2.433 1.00 0.00 N ATOM 0 H ASN A 56 13.830 -0.838 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 56 14.275 -3.035 -5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.277 -2.650 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.728 -4.178 -3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.720 -1.826 -2.528 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.333 -2.235 -1.512 1.00 0.00 H new ATOM 837 N LEU A 57 11.387 -3.162 -3.982 1.00 0.00 N ATOM 838 CA LEU A 57 10.160 -3.954 -3.901 1.00 0.00 C ATOM 839 C LEU A 57 8.993 -3.292 -4.640 1.00 0.00 C ATOM 840 O LEU A 57 7.910 -3.872 -4.725 1.00 0.00 O ATOM 841 CB LEU A 57 9.804 -4.254 -2.429 1.00 0.00 C ATOM 842 CG LEU A 57 9.702 -3.040 -1.485 1.00 0.00 C ATOM 843 CD1 LEU A 57 8.440 -2.229 -1.753 1.00 0.00 C ATOM 844 CD2 LEU A 57 9.750 -3.488 -0.025 1.00 0.00 C ATOM 0 H LEU A 57 11.287 -2.188 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 57 10.347 -4.902 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.851 -4.782 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.555 -4.935 -2.029 1.00 0.00 H new ATOM 0 HG LEU A 57 10.559 -2.396 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.401 -1.381 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.452 -1.866 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.564 -2.859 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.677 -2.617 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.918 -4.162 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.690 -4.005 0.166 1.00 0.00 H new ATOM 856 N LEU A 58 9.213 -2.095 -5.192 1.00 0.00 N ATOM 857 CA LEU A 58 8.158 -1.394 -5.935 1.00 0.00 C ATOM 858 C LEU A 58 7.729 -2.209 -7.157 1.00 0.00 C ATOM 859 O LEU A 58 6.561 -2.199 -7.548 1.00 0.00 O ATOM 860 CB LEU A 58 8.615 0.009 -6.377 1.00 0.00 C ATOM 861 CG LEU A 58 8.832 1.031 -5.248 1.00 0.00 C ATOM 862 CD1 LEU A 58 9.297 2.373 -5.814 1.00 0.00 C ATOM 863 CD2 LEU A 58 7.559 1.208 -4.423 1.00 0.00 C ATOM 0 H LEU A 58 10.100 -1.595 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 58 7.307 -1.279 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.547 -0.092 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.873 0.411 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 58 9.613 0.648 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 58 9.444 3.081 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.236 2.236 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.542 2.760 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.737 1.935 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.754 1.563 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.276 0.253 -3.981 1.00 0.00 H new ATOM 875 N ASN A 59 8.687 -2.922 -7.745 1.00 0.00 N ATOM 876 CA ASN A 59 8.430 -3.750 -8.926 1.00 0.00 C ATOM 877 C ASN A 59 8.177 -5.210 -8.539 1.00 0.00 C ATOM 878 O ASN A 59 8.050 -6.077 -9.407 1.00 0.00 O ATOM 879 CB ASN A 59 9.606 -3.657 -9.917 1.00 0.00 C ATOM 880 CG ASN A 59 10.963 -3.850 -9.258 1.00 0.00 C ATOM 881 OD1 ASN A 59 11.074 -4.470 -8.201 1.00 0.00 O ATOM 882 ND2 ASN A 59 12.007 -3.327 -9.885 1.00 0.00 N ATOM 0 H ASN A 59 9.654 -2.944 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 59 7.530 -3.369 -9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.477 -4.409 -10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.583 -2.684 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 59 12.943 -3.432 -9.493 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.875 -2.820 -10.760 1.00 0.00 H new ATOM 889 N ARG A 60 8.092 -5.475 -7.236 1.00 0.00 N ATOM 890 CA ARG A 60 7.818 -6.825 -6.731 1.00 0.00 C ATOM 891 C ARG A 60 6.319 -7.022 -6.492 1.00 0.00 C ATOM 892 O ARG A 60 5.557 -6.056 -6.415 1.00 0.00 O ATOM 893 CB ARG A 60 8.595 -7.092 -5.423 1.00 0.00 C ATOM 894 CG ARG A 60 9.956 -7.765 -5.610 1.00 0.00 C ATOM 895 CD ARG A 60 10.921 -6.922 -6.432 1.00 0.00 C ATOM 896 NE ARG A 60 12.231 -7.567 -6.564 1.00 0.00 N ATOM 897 CZ ARG A 60 13.327 -6.959 -7.027 1.00 0.00 C ATOM 898 NH1 ARG A 60 13.283 -5.687 -7.403 1.00 0.00 N ATOM 899 NH2 ARG A 60 14.472 -7.625 -7.114 1.00 0.00 N ATOM 0 H ARG A 60 8.209 -4.772 -6.507 1.00 0.00 H new ATOM 0 HA ARG A 60 8.151 -7.536 -7.488 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.742 -6.144 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.982 -7.718 -4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.396 -7.964 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.816 -8.729 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.500 -6.749 -7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.042 -5.946 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 60 12.311 -8.545 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.408 -5.166 -7.340 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.124 -5.230 -7.755 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.516 -8.603 -6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 60 15.307 -7.159 -7.468 1.00 0.00 H new ATOM 913 N LYS A 61 5.914 -8.284 -6.360 1.00 0.00 N ATOM 914 CA LYS A 61 4.519 -8.649 -6.090 1.00 0.00 C ATOM 915 C LYS A 61 4.093 -8.218 -4.682 1.00 0.00 C ATOM 916 O LYS A 61 2.924 -8.334 -4.320 1.00 0.00 O ATOM 917 CB LYS A 61 4.314 -10.164 -6.261 1.00 0.00 C ATOM 918 CG LYS A 61 5.139 -11.016 -5.294 1.00 0.00 C ATOM 919 CD LYS A 61 4.862 -12.508 -5.469 1.00 0.00 C ATOM 920 CE LYS A 61 5.672 -13.354 -4.493 1.00 0.00 C ATOM 921 NZ LYS A 61 5.380 -14.804 -4.636 1.00 0.00 N ATOM 0 H LYS A 61 6.542 -9.084 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 61 3.894 -8.123 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.258 -10.395 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.570 -10.442 -7.283 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.200 -10.823 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.913 -10.723 -4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.799 -12.700 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.100 -12.804 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.735 -13.180 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.453 -13.039 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.952 -15.342 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.371 -14.975 -4.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.613 -15.111 -5.602 1.00 0.00 H new ATOM 935 N SER A 62 5.062 -7.741 -3.900 1.00 0.00 N ATOM 936 CA SER A 62 4.857 -7.340 -2.506 1.00 0.00 C ATOM 937 C SER A 62 3.554 -6.551 -2.296 1.00 0.00 C ATOM 938 O SER A 62 2.885 -6.717 -1.279 1.00 0.00 O ATOM 939 CB SER A 62 6.055 -6.501 -2.052 1.00 0.00 C ATOM 940 OG SER A 62 7.274 -7.129 -2.411 1.00 0.00 O ATOM 0 H SER A 62 6.023 -7.620 -4.220 1.00 0.00 H new ATOM 0 HA SER A 62 4.771 -8.247 -1.908 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.004 -5.511 -2.505 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.018 -6.360 -0.972 1.00 0.00 H new ATOM 0 HG SER A 62 8.001 -6.771 -1.860 1.00 0.00 H new ATOM 946 N PHE A 63 3.199 -5.703 -3.259 1.00 0.00 N ATOM 947 CA PHE A 63 1.997 -4.867 -3.151 1.00 0.00 C ATOM 948 C PHE A 63 0.722 -5.706 -3.199 1.00 0.00 C ATOM 949 O PHE A 63 -0.275 -5.370 -2.563 1.00 0.00 O ATOM 950 CB PHE A 63 1.983 -3.809 -4.262 1.00 0.00 C ATOM 951 CG PHE A 63 2.955 -2.682 -4.022 1.00 0.00 C ATOM 952 CD1 PHE A 63 4.322 -2.883 -4.146 1.00 0.00 C ATOM 953 CD2 PHE A 63 2.498 -1.421 -3.653 1.00 0.00 C ATOM 954 CE1 PHE A 63 5.211 -1.853 -3.912 1.00 0.00 C ATOM 955 CE2 PHE A 63 3.385 -0.391 -3.417 1.00 0.00 C ATOM 956 CZ PHE A 63 4.742 -0.606 -3.547 1.00 0.00 C ATOM 0 H PHE A 63 3.724 -5.574 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 63 2.027 -4.366 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.219 -4.287 -5.213 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.977 -3.399 -4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.695 -3.856 -4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.437 -1.246 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.273 -2.022 -4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.017 0.583 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.437 0.200 -3.363 1.00 0.00 H new ATOM 966 N ALA A 64 0.758 -6.799 -3.952 1.00 0.00 N ATOM 967 CA ALA A 64 -0.391 -7.696 -4.063 1.00 0.00 C ATOM 968 C ALA A 64 -0.581 -8.489 -2.773 1.00 0.00 C ATOM 969 O ALA A 64 -1.657 -9.029 -2.508 1.00 0.00 O ATOM 970 CB ALA A 64 -0.215 -8.637 -5.248 1.00 0.00 C ATOM 0 H ALA A 64 1.571 -7.088 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.284 -7.094 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.078 -9.299 -5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.129 -8.055 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.688 -9.232 -5.109 1.00 0.00 H new ATOM 976 N SER A 65 0.480 -8.560 -1.978 1.00 0.00 N ATOM 977 CA SER A 65 0.452 -9.253 -0.700 1.00 0.00 C ATOM 978 C SER A 65 0.946 -8.323 0.409 1.00 0.00 C ATOM 979 O SER A 65 2.114 -8.371 0.801 1.00 0.00 O ATOM 980 CB SER A 65 1.318 -10.520 -0.773 1.00 0.00 C ATOM 981 OG SER A 65 0.854 -11.398 -1.788 1.00 0.00 O ATOM 0 H SER A 65 1.381 -8.139 -2.202 1.00 0.00 H new ATOM 0 HA SER A 65 -0.573 -9.547 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.354 -10.245 -0.971 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.302 -11.031 0.190 1.00 0.00 H new ATOM 0 HG SER A 65 1.423 -12.196 -1.815 1.00 0.00 H new ATOM 987 N ILE A 66 0.053 -7.465 0.900 1.00 0.00 N ATOM 988 CA ILE A 66 0.417 -6.463 1.899 1.00 0.00 C ATOM 989 C ILE A 66 1.013 -7.118 3.147 1.00 0.00 C ATOM 990 O ILE A 66 1.942 -6.584 3.755 1.00 0.00 O ATOM 991 CB ILE A 66 -0.794 -5.579 2.292 1.00 0.00 C ATOM 992 CG1 ILE A 66 -1.295 -4.790 1.069 1.00 0.00 C ATOM 993 CG2 ILE A 66 -0.435 -4.633 3.441 1.00 0.00 C ATOM 994 CD1 ILE A 66 -2.448 -3.853 1.369 1.00 0.00 C ATOM 0 H ILE A 66 -0.928 -7.444 0.622 1.00 0.00 H new ATOM 0 HA ILE A 66 1.173 -5.822 1.445 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.597 -6.230 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.467 -4.211 0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.604 -5.495 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.303 -4.025 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.132 -5.216 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.386 -3.984 3.135 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.742 -3.335 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.293 -4.426 1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.139 -3.123 2.117 1.00 0.00 H new ATOM 1006 N LYS A 67 0.490 -8.286 3.509 1.00 0.00 N ATOM 1007 CA LYS A 67 1.009 -9.037 4.654 1.00 0.00 C ATOM 1008 C LYS A 67 2.496 -9.362 4.470 1.00 0.00 C ATOM 1009 O LYS A 67 3.237 -9.495 5.442 1.00 0.00 O ATOM 1010 CB LYS A 67 0.214 -10.336 4.883 1.00 0.00 C ATOM 1011 CG LYS A 67 0.288 -11.344 3.732 1.00 0.00 C ATOM 1012 CD LYS A 67 -0.828 -11.144 2.708 1.00 0.00 C ATOM 1013 CE LYS A 67 -0.761 -12.178 1.590 1.00 0.00 C ATOM 1014 NZ LYS A 67 -0.673 -13.571 2.110 1.00 0.00 N ATOM 0 H LYS A 67 -0.291 -8.734 3.029 1.00 0.00 H new ATOM 0 HA LYS A 67 0.893 -8.404 5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.581 -10.815 5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.831 -10.080 5.057 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.254 -11.253 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.231 -12.355 4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.795 -11.210 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.756 -10.143 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.644 -12.084 0.958 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.105 -11.973 0.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.884 -14.242 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.287 -13.747 2.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.360 -13.698 2.880 1.00 0.00 H new ATOM 1028 N ALA A 68 2.927 -9.494 3.219 1.00 0.00 N ATOM 1029 CA ALA A 68 4.326 -9.777 2.913 1.00 0.00 C ATOM 1030 C ALA A 68 5.157 -8.494 2.948 1.00 0.00 C ATOM 1031 O ALA A 68 6.235 -8.451 3.545 1.00 0.00 O ATOM 1032 CB ALA A 68 4.448 -10.458 1.553 1.00 0.00 C ATOM 0 H ALA A 68 2.326 -9.409 2.399 1.00 0.00 H new ATOM 0 HA ALA A 68 4.713 -10.455 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.498 -10.662 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.892 -11.395 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.042 -9.804 0.781 1.00 0.00 H new ATOM 1038 N ILE A 69 4.640 -7.440 2.315 1.00 0.00 N ATOM 1039 CA ILE A 69 5.374 -6.180 2.207 1.00 0.00 C ATOM 1040 C ILE A 69 5.555 -5.529 3.581 1.00 0.00 C ATOM 1041 O ILE A 69 6.565 -4.871 3.831 1.00 0.00 O ATOM 1042 CB ILE A 69 4.681 -5.184 1.232 1.00 0.00 C ATOM 1043 CG1 ILE A 69 5.654 -4.065 0.818 1.00 0.00 C ATOM 1044 CG2 ILE A 69 3.420 -4.588 1.856 1.00 0.00 C ATOM 1045 CD1 ILE A 69 5.082 -3.113 -0.216 1.00 0.00 C ATOM 0 H ILE A 69 3.721 -7.434 1.872 1.00 0.00 H new ATOM 0 HA ILE A 69 6.356 -6.421 1.799 1.00 0.00 H new ATOM 0 HB ILE A 69 4.388 -5.739 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.939 -3.497 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.564 -4.515 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.958 -3.896 1.152 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.718 -5.388 2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.683 -4.054 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.823 -2.352 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.823 -3.668 -1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.188 -2.634 0.185 1.00 0.00 H new ATOM 1057 N GLU A 70 4.580 -5.730 4.474 1.00 0.00 N ATOM 1058 CA GLU A 70 4.645 -5.154 5.817 1.00 0.00 C ATOM 1059 C GLU A 70 5.842 -5.719 6.574 1.00 0.00 C ATOM 1060 O GLU A 70 6.568 -4.987 7.244 1.00 0.00 O ATOM 1061 CB GLU A 70 3.332 -5.391 6.594 1.00 0.00 C ATOM 1062 CG GLU A 70 3.026 -6.853 6.946 1.00 0.00 C ATOM 1063 CD GLU A 70 3.455 -7.251 8.360 1.00 0.00 C ATOM 1064 OE1 GLU A 70 2.819 -6.788 9.327 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.412 -8.037 8.512 1.00 0.00 O ATOM 0 H GLU A 70 3.743 -6.283 4.291 1.00 0.00 H new ATOM 0 HA GLU A 70 4.774 -4.076 5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.368 -4.813 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.505 -4.997 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.955 -7.026 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.527 -7.502 6.228 1.00 0.00 H new ATOM 1072 N ASP A 71 6.065 -7.021 6.431 1.00 0.00 N ATOM 1073 CA ASP A 71 7.193 -7.678 7.080 1.00 0.00 C ATOM 1074 C ASP A 71 8.495 -7.148 6.502 1.00 0.00 C ATOM 1075 O ASP A 71 9.484 -6.971 7.213 1.00 0.00 O ATOM 1076 CB ASP A 71 7.105 -9.200 6.903 1.00 0.00 C ATOM 1077 CG ASP A 71 8.139 -9.946 7.730 1.00 0.00 C ATOM 1078 OD1 ASP A 71 8.001 -9.974 8.974 1.00 0.00 O ATOM 1079 OD2 ASP A 71 9.080 -10.530 7.144 1.00 0.00 O ATOM 0 H ASP A 71 5.480 -7.642 5.872 1.00 0.00 H new ATOM 0 HA ASP A 71 7.164 -7.460 8.148 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.108 -9.538 7.185 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.240 -9.448 5.850 1.00 0.00 H new ATOM 1084 N THR A 72 8.463 -6.853 5.210 1.00 0.00 N ATOM 1085 CA THR A 72 9.631 -6.358 4.498 1.00 0.00 C ATOM 1086 C THR A 72 9.980 -4.928 4.931 1.00 0.00 C ATOM 1087 O THR A 72 11.152 -4.602 5.127 1.00 0.00 O ATOM 1088 CB THR A 72 9.401 -6.407 2.971 1.00 0.00 C ATOM 1089 OG1 THR A 72 8.914 -7.706 2.599 1.00 0.00 O ATOM 1090 CG2 THR A 72 10.690 -6.111 2.209 1.00 0.00 C ATOM 0 H THR A 72 7.630 -6.950 4.629 1.00 0.00 H new ATOM 0 HA THR A 72 10.470 -7.007 4.749 1.00 0.00 H new ATOM 0 HB THR A 72 8.666 -5.645 2.713 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.983 -7.802 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.497 -6.153 1.137 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.050 -5.117 2.475 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.446 -6.852 2.471 1.00 0.00 H new ATOM 1098 N VAL A 73 8.964 -4.078 5.097 1.00 0.00 N ATOM 1099 CA VAL A 73 9.196 -2.695 5.513 1.00 0.00 C ATOM 1100 C VAL A 73 9.627 -2.649 6.981 1.00 0.00 C ATOM 1101 O VAL A 73 10.402 -1.784 7.386 1.00 0.00 O ATOM 1102 CB VAL A 73 7.958 -1.784 5.275 1.00 0.00 C ATOM 1103 CG1 VAL A 73 6.759 -2.238 6.098 1.00 0.00 C ATOM 1104 CG2 VAL A 73 8.292 -0.319 5.564 1.00 0.00 C ATOM 0 H VAL A 73 7.984 -4.320 4.951 1.00 0.00 H new ATOM 0 HA VAL A 73 9.999 -2.301 4.890 1.00 0.00 H new ATOM 0 HB VAL A 73 7.687 -1.872 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.914 -1.577 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.493 -3.258 5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.011 -2.204 7.158 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.409 0.297 5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.607 -0.216 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.097 0.007 4.906 1.00 0.00 H new ATOM 1114 N LYS A 74 9.140 -3.609 7.766 1.00 0.00 N ATOM 1115 CA LYS A 74 9.580 -3.776 9.150 1.00 0.00 C ATOM 1116 C LYS A 74 11.084 -4.060 9.198 1.00 0.00 C ATOM 1117 O LYS A 74 11.782 -3.623 10.118 1.00 0.00 O ATOM 1118 CB LYS A 74 8.784 -4.906 9.823 1.00 0.00 C ATOM 1119 CG LYS A 74 7.383 -4.484 10.280 1.00 0.00 C ATOM 1120 CD LYS A 74 6.374 -5.632 10.223 1.00 0.00 C ATOM 1121 CE LYS A 74 6.867 -6.889 10.930 1.00 0.00 C ATOM 1122 NZ LYS A 74 5.889 -7.998 10.796 1.00 0.00 N ATOM 0 H LYS A 74 8.438 -4.285 7.465 1.00 0.00 H new ATOM 0 HA LYS A 74 9.393 -2.852 9.697 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.694 -5.740 9.127 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.344 -5.270 10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.437 -4.103 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.032 -3.665 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.437 -5.309 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.158 -5.868 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.826 -7.193 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.035 -6.674 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.396 -8.888 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.338 -8.083 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.246 -7.800 10.003 1.00 0.00 H new ATOM 1136 N LEU A 75 11.578 -4.780 8.188 1.00 0.00 N ATOM 1137 CA LEU A 75 13.009 -5.059 8.061 1.00 0.00 C ATOM 1138 C LEU A 75 13.782 -3.765 7.804 1.00 0.00 C ATOM 1139 O LEU A 75 14.919 -3.608 8.254 1.00 0.00 O ATOM 1140 CB LEU A 75 13.274 -6.060 6.924 1.00 0.00 C ATOM 1141 CG LEU A 75 12.564 -7.417 7.060 1.00 0.00 C ATOM 1142 CD1 LEU A 75 12.882 -8.318 5.867 1.00 0.00 C ATOM 1143 CD2 LEU A 75 12.940 -8.099 8.375 1.00 0.00 C ATOM 0 H LEU A 75 11.006 -5.181 7.445 1.00 0.00 H new ATOM 0 HA LEU A 75 13.351 -5.499 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.970 -5.603 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.348 -6.236 6.861 1.00 0.00 H new ATOM 0 HG LEU A 75 11.489 -7.237 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.369 -9.272 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.547 -7.837 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 75 13.957 -8.488 5.816 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.425 -9.057 8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 75 14.017 -8.263 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.646 -7.464 9.211 1.00 0.00 H new ATOM 1155 N ILE A 76 13.154 -2.839 7.075 1.00 0.00 N ATOM 1156 CA ILE A 76 13.748 -1.528 6.813 1.00 0.00 C ATOM 1157 C ILE A 76 13.970 -0.792 8.132 1.00 0.00 C ATOM 1158 O ILE A 76 15.081 -0.353 8.428 1.00 0.00 O ATOM 1159 CB ILE A 76 12.855 -0.658 5.886 1.00 0.00 C ATOM 1160 CG1 ILE A 76 12.580 -1.383 4.555 1.00 0.00 C ATOM 1161 CG2 ILE A 76 13.501 0.706 5.635 1.00 0.00 C ATOM 1162 CD1 ILE A 76 11.630 -0.638 3.642 1.00 0.00 C ATOM 0 H ILE A 76 12.234 -2.974 6.656 1.00 0.00 H new ATOM 0 HA ILE A 76 14.698 -1.694 6.305 1.00 0.00 H new ATOM 0 HB ILE A 76 11.901 -0.496 6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 76 13.525 -1.538 4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 76 12.168 -2.369 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.859 1.298 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.634 1.226 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.471 0.567 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 76 11.484 -1.209 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.671 -0.506 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.049 0.338 3.399 1.00 0.00 H new ATOM 1174 N LEU A 77 12.905 -0.692 8.930 1.00 0.00 N ATOM 1175 CA LEU A 77 12.972 -0.046 10.245 1.00 0.00 C ATOM 1176 C LEU A 77 14.002 -0.737 11.136 1.00 0.00 C ATOM 1177 O LEU A 77 14.624 -0.102 11.991 1.00 0.00 O ATOM 1178 CB LEU A 77 11.594 -0.059 10.937 1.00 0.00 C ATOM 1179 CG LEU A 77 10.585 1.004 10.458 1.00 0.00 C ATOM 1180 CD1 LEU A 77 11.131 2.408 10.691 1.00 0.00 C ATOM 1181 CD2 LEU A 77 10.222 0.799 8.990 1.00 0.00 C ATOM 0 H LEU A 77 11.982 -1.051 8.688 1.00 0.00 H new ATOM 0 HA LEU A 77 13.276 0.989 10.089 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.148 -1.044 10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.747 0.071 12.008 1.00 0.00 H new ATOM 0 HG LEU A 77 9.673 0.889 11.045 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.404 3.143 10.346 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.318 2.554 11.755 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.062 2.532 10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.509 1.564 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.121 0.874 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.776 -0.187 8.860 1.00 0.00 H new ATOM 1193 N ASP A 78 14.172 -2.038 10.923 1.00 0.00 N ATOM 1194 CA ASP A 78 15.111 -2.843 11.703 1.00 0.00 C ATOM 1195 C ASP A 78 16.560 -2.460 11.400 1.00 0.00 C ATOM 1196 O ASP A 78 17.434 -2.573 12.261 1.00 0.00 O ATOM 1197 CB ASP A 78 14.886 -4.336 11.416 1.00 0.00 C ATOM 1198 CG ASP A 78 15.900 -5.233 12.110 1.00 0.00 C ATOM 1199 OD1 ASP A 78 15.834 -5.359 13.352 1.00 0.00 O ATOM 1200 OD2 ASP A 78 16.752 -5.833 11.415 1.00 0.00 O ATOM 0 H ASP A 78 13.667 -2.563 10.209 1.00 0.00 H new ATOM 0 HA ASP A 78 14.928 -2.647 12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 78 13.882 -4.615 11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 78 14.935 -4.505 10.340 1.00 0.00 H new ATOM 1205 N GLY A 79 16.807 -1.991 10.179 1.00 0.00 N ATOM 1206 CA GLY A 79 18.159 -1.651 9.769 1.00 0.00 C ATOM 1207 C GLY A 79 18.198 -0.468 8.822 1.00 0.00 C ATOM 1208 O GLY A 79 18.526 -0.619 7.644 1.00 0.00 O ATOM 0 H GLY A 79 16.094 -1.840 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 79 18.757 -1.425 10.652 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.617 -2.514 9.286 1.00 0.00 H new ATOM 1212 N LYS A 80 17.858 0.711 9.335 1.00 0.00 N ATOM 1213 CA LYS A 80 17.897 1.943 8.543 1.00 0.00 C ATOM 1214 C LYS A 80 19.311 2.503 8.492 1.00 0.00 C ATOM 1215 O LYS A 80 19.800 2.911 7.433 1.00 0.00 O ATOM 1216 CB LYS A 80 16.973 3.002 9.141 1.00 0.00 C ATOM 1217 CG LYS A 80 15.520 2.573 9.207 1.00 0.00 C ATOM 1218 CD LYS A 80 14.591 3.770 9.165 1.00 0.00 C ATOM 1219 CE LYS A 80 14.801 4.714 10.346 1.00 0.00 C ATOM 1220 NZ LYS A 80 13.944 5.928 10.251 1.00 0.00 N ATOM 0 H LYS A 80 17.551 0.842 10.299 1.00 0.00 H new ATOM 0 HA LYS A 80 17.563 1.696 7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.317 3.246 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.047 3.914 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.297 1.907 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.347 2.007 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.749 4.316 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.557 3.424 9.160 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.581 4.187 11.274 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.848 5.012 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.538 6.758 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.252 5.806 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.442 6.070 11.151 1.00 0.00 H new ATOM 1234 N GLU A 81 19.940 2.521 9.666 1.00 0.00 N ATOM 1235 CA GLU A 81 21.273 3.101 9.864 1.00 0.00 C ATOM 1236 C GLU A 81 21.179 4.629 9.822 1.00 0.00 C ATOM 1237 O GLU A 81 22.163 5.335 9.590 1.00 0.00 O ATOM 1238 CB GLU A 81 22.280 2.563 8.826 1.00 0.00 C ATOM 1239 CG GLU A 81 23.733 2.922 9.126 1.00 0.00 C ATOM 1240 CD GLU A 81 24.710 2.323 8.129 1.00 0.00 C ATOM 1241 OE1 GLU A 81 24.987 2.971 7.096 1.00 0.00 O ATOM 1242 OE2 GLU A 81 25.210 1.204 8.374 1.00 0.00 O ATOM 0 H GLU A 81 19.537 2.130 10.517 1.00 0.00 H new ATOM 0 HA GLU A 81 21.645 2.803 10.844 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.188 1.478 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.016 2.953 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 81 23.841 4.007 9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.987 2.577 10.128 1.00 0.00 H new ATOM 1249 N ALA A 82 19.976 5.135 10.080 1.00 0.00 N ATOM 1250 CA ALA A 82 19.737 6.570 10.124 1.00 0.00 C ATOM 1251 C ALA A 82 20.268 7.143 11.434 1.00 0.00 C ATOM 1252 O ALA A 82 19.523 7.336 12.400 1.00 0.00 O ATOM 1253 CB ALA A 82 18.252 6.870 9.953 1.00 0.00 C ATOM 0 H ALA A 82 19.149 4.567 10.262 1.00 0.00 H new ATOM 0 HA ALA A 82 20.268 7.046 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.092 7.948 9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.911 6.484 8.992 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.690 6.393 10.756 1.00 0.00 H new ATOM 1259 N ALA A 83 21.574 7.366 11.471 1.00 0.00 N ATOM 1260 CA ALA A 83 22.243 7.860 12.664 1.00 0.00 C ATOM 1261 C ALA A 83 22.556 9.348 12.522 1.00 0.00 C ATOM 1262 O ALA A 83 23.615 9.682 11.948 1.00 0.00 O ATOM 1263 CB ALA A 83 23.513 7.054 12.920 1.00 0.00 C ATOM 1264 OXT ALA A 83 21.736 10.175 12.971 1.00 0.00 O ATOM 0 H ALA A 83 22.197 7.210 10.678 1.00 0.00 H new ATOM 0 HA ALA A 83 21.580 7.738 13.520 1.00 0.00 H new ATOM 0 HB1 ALA A 83 24.008 7.430 13.815 1.00 0.00 H new ATOM 0 HB2 ALA A 83 23.255 6.004 13.062 1.00 0.00 H new ATOM 0 HB3 ALA A 83 24.184 7.151 12.066 1.00 0.00 H new TER 1270 ALA A 83