USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -1.26 K(o=-2.5,f=-6.7!) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.28 K(o=-2.5,f=-0.85) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0391 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -70:sc= -1.08 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 47:sc= 1.28 USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0431 (180deg=-0.259) USER MOD Single : A 30 SER OG : rot -50:sc= 0.386 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -6.32! C(o=-6.3!,f=-15!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.84! K(o=-3.8!,f=-2.6) USER MOD Single : A 59 ASN : amide:sc= -3.78! C(o=-3.8!,f=-4.4!) USER MOD Single : A 63 HIS : no HD1:sc= -2.01 X(o=-2,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.789 0.620 2.282 1.00 0.00 N ATOM 2 CA ALA A 1 15.331 -0.140 3.478 1.00 0.00 C ATOM 3 C ALA A 1 13.869 -0.553 3.292 1.00 0.00 C ATOM 4 O ALA A 1 13.564 -1.711 3.085 1.00 0.00 O ATOM 5 CB ALA A 1 15.458 0.741 4.723 1.00 0.00 C ATOM 0 H1 ALA A 1 16.782 0.901 2.408 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.703 0.021 1.436 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.201 1.470 2.165 1.00 0.00 H new ATOM 0 HA ALA A 1 15.947 -1.031 3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.123 0.185 5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.499 1.034 4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.843 1.632 4.602 1.00 0.00 H new ATOM 13 N ILE A 2 12.963 0.391 3.366 1.00 0.00 N ATOM 14 CA ILE A 2 11.512 0.069 3.195 1.00 0.00 C ATOM 15 C ILE A 2 11.076 -0.924 4.278 1.00 0.00 C ATOM 16 O ILE A 2 10.469 -1.942 3.997 1.00 0.00 O ATOM 17 CB ILE A 2 11.279 -0.538 1.807 1.00 0.00 C ATOM 18 CG1 ILE A 2 11.872 0.387 0.741 1.00 0.00 C ATOM 19 CG2 ILE A 2 9.776 -0.698 1.564 1.00 0.00 C ATOM 20 CD1 ILE A 2 11.778 -0.285 -0.630 1.00 0.00 C ATOM 0 H ILE A 2 13.167 1.375 3.538 1.00 0.00 H new ATOM 0 HA ILE A 2 10.924 0.982 3.288 1.00 0.00 H new ATOM 0 HB ILE A 2 11.761 -1.514 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.336 1.336 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 2 12.912 0.611 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 2 9.611 -1.130 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.353 -1.356 2.323 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.293 0.277 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 2 12.200 0.374 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.333 -1.223 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.733 -0.486 -0.866 1.00 0.00 H new ATOM 32 N GLU A 3 11.380 -0.629 5.516 1.00 0.00 N ATOM 33 CA GLU A 3 10.987 -1.542 6.629 1.00 0.00 C ATOM 34 C GLU A 3 9.516 -1.311 6.976 1.00 0.00 C ATOM 35 O GLU A 3 8.899 -0.379 6.494 1.00 0.00 O ATOM 36 CB GLU A 3 11.853 -1.253 7.857 1.00 0.00 C ATOM 37 CG GLU A 3 13.301 -1.658 7.568 1.00 0.00 C ATOM 38 CD GLU A 3 13.464 -3.163 7.789 1.00 0.00 C ATOM 39 OE1 GLU A 3 13.020 -3.642 8.820 1.00 0.00 O ATOM 40 OE2 GLU A 3 14.028 -3.811 6.924 1.00 0.00 O ATOM 0 H GLU A 3 11.886 0.209 5.804 1.00 0.00 H new ATOM 0 HA GLU A 3 11.131 -2.577 6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.804 -0.194 8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.476 -1.803 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.564 -1.400 6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.980 -1.108 8.219 1.00 0.00 H new ATOM 47 N ARG A 4 8.951 -2.150 7.806 1.00 0.00 N ATOM 48 CA ARG A 4 7.517 -1.978 8.184 1.00 0.00 C ATOM 49 C ARG A 4 7.414 -1.089 9.425 1.00 0.00 C ATOM 50 O ARG A 4 8.317 -1.040 10.239 1.00 0.00 O ATOM 51 CB ARG A 4 6.880 -3.343 8.466 1.00 0.00 C ATOM 52 CG ARG A 4 7.737 -4.129 9.464 1.00 0.00 C ATOM 53 CD ARG A 4 8.589 -5.160 8.718 1.00 0.00 C ATOM 54 NE ARG A 4 7.910 -6.486 8.756 1.00 0.00 N ATOM 55 CZ ARG A 4 8.573 -7.548 9.126 1.00 0.00 C ATOM 56 NH1 ARG A 4 9.757 -7.783 8.630 1.00 0.00 N ATOM 57 NH2 ARG A 4 8.052 -8.373 9.993 1.00 0.00 N ATOM 0 H ARG A 4 9.421 -2.946 8.238 1.00 0.00 H new ATOM 0 HA ARG A 4 6.985 -1.505 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.875 -3.208 8.865 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.781 -3.906 7.538 1.00 0.00 H new ATOM 0 HG2 ARG A 4 8.380 -3.447 10.021 1.00 0.00 H new ATOM 0 HG3 ARG A 4 7.098 -4.630 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.738 -4.845 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.576 -5.231 9.175 1.00 0.00 H new ATOM 0 HE ARG A 4 6.928 -6.564 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 4 10.164 -7.137 7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.275 -8.613 8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.127 -8.188 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.570 -9.203 10.282 1.00 0.00 H new ATOM 71 N GLY A 5 6.321 -0.384 9.568 1.00 0.00 N ATOM 72 CA GLY A 5 6.148 0.513 10.748 1.00 0.00 C ATOM 73 C GLY A 5 6.487 1.961 10.367 1.00 0.00 C ATOM 74 O GLY A 5 6.134 2.886 11.074 1.00 0.00 O ATOM 0 H GLY A 5 5.538 -0.392 8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.122 0.455 11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.793 0.183 11.563 1.00 0.00 H new ATOM 78 N SER A 6 7.171 2.169 9.263 1.00 0.00 N ATOM 79 CA SER A 6 7.529 3.559 8.853 1.00 0.00 C ATOM 80 C SER A 6 6.434 4.130 7.950 1.00 0.00 C ATOM 81 O SER A 6 5.432 3.490 7.696 1.00 0.00 O ATOM 82 CB SER A 6 8.855 3.534 8.091 1.00 0.00 C ATOM 83 OG SER A 6 9.418 4.840 8.083 1.00 0.00 O ATOM 0 H SER A 6 7.494 1.435 8.633 1.00 0.00 H new ATOM 0 HA SER A 6 7.626 4.185 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.544 2.832 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.694 3.189 7.070 1.00 0.00 H new ATOM 0 HG SER A 6 10.269 4.827 7.597 1.00 0.00 H new ATOM 89 N LYS A 7 6.625 5.329 7.460 1.00 0.00 N ATOM 90 CA LYS A 7 5.606 5.951 6.565 1.00 0.00 C ATOM 91 C LYS A 7 6.154 5.990 5.137 1.00 0.00 C ATOM 92 O LYS A 7 7.221 6.522 4.890 1.00 0.00 O ATOM 93 CB LYS A 7 5.309 7.375 7.040 1.00 0.00 C ATOM 94 CG LYS A 7 4.194 7.344 8.087 1.00 0.00 C ATOM 95 CD LYS A 7 3.621 8.751 8.266 1.00 0.00 C ATOM 96 CE LYS A 7 4.558 9.575 9.151 1.00 0.00 C ATOM 97 NZ LYS A 7 3.807 10.721 9.737 1.00 0.00 N ATOM 0 H LYS A 7 7.447 5.905 7.643 1.00 0.00 H new ATOM 0 HA LYS A 7 4.687 5.366 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.208 7.823 7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.012 7.996 6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.407 6.657 7.775 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.582 6.975 9.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.503 9.233 7.296 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.631 8.697 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.968 8.951 9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.401 9.940 8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.443 11.282 10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.436 11.320 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.017 10.362 10.309 1.00 0.00 H new ATOM 111 N VAL A 8 5.435 5.427 4.197 1.00 0.00 N ATOM 112 CA VAL A 8 5.921 5.426 2.786 1.00 0.00 C ATOM 113 C VAL A 8 4.937 6.178 1.889 1.00 0.00 C ATOM 114 O VAL A 8 3.756 5.888 1.864 1.00 0.00 O ATOM 115 CB VAL A 8 6.071 3.981 2.290 1.00 0.00 C ATOM 116 CG1 VAL A 8 7.092 3.250 3.163 1.00 0.00 C ATOM 117 CG2 VAL A 8 4.722 3.253 2.366 1.00 0.00 C ATOM 0 H VAL A 8 4.536 4.970 4.347 1.00 0.00 H new ATOM 0 HA VAL A 8 6.889 5.925 2.746 1.00 0.00 H new ATOM 0 HB VAL A 8 6.410 3.993 1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.201 2.223 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.054 3.758 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.750 3.246 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.841 2.229 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.372 3.242 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.994 3.771 1.742 1.00 0.00 H new ATOM 127 N LYS A 9 5.428 7.132 1.143 1.00 0.00 N ATOM 128 CA LYS A 9 4.542 7.903 0.229 1.00 0.00 C ATOM 129 C LYS A 9 4.300 7.065 -1.027 1.00 0.00 C ATOM 130 O LYS A 9 5.210 6.793 -1.786 1.00 0.00 O ATOM 131 CB LYS A 9 5.223 9.221 -0.151 1.00 0.00 C ATOM 132 CG LYS A 9 4.288 10.052 -1.035 1.00 0.00 C ATOM 133 CD LYS A 9 5.088 11.156 -1.741 1.00 0.00 C ATOM 134 CE LYS A 9 4.700 11.209 -3.222 1.00 0.00 C ATOM 135 NZ LYS A 9 3.650 12.247 -3.423 1.00 0.00 N ATOM 0 H LYS A 9 6.409 7.410 1.129 1.00 0.00 H new ATOM 0 HA LYS A 9 3.594 8.124 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.481 9.780 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.155 9.020 -0.679 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.805 9.411 -1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.497 10.494 -0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.892 12.119 -1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.156 10.964 -1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.575 11.439 -3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.332 10.236 -3.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.386 12.284 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.813 12.009 -2.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.017 13.174 -3.128 1.00 0.00 H new ATOM 149 N ILE A 10 3.080 6.643 -1.239 1.00 0.00 N ATOM 150 CA ILE A 10 2.766 5.809 -2.435 1.00 0.00 C ATOM 151 C ILE A 10 3.102 6.580 -3.714 1.00 0.00 C ATOM 152 O ILE A 10 2.694 7.713 -3.891 1.00 0.00 O ATOM 153 CB ILE A 10 1.274 5.451 -2.434 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.858 4.830 -1.082 1.00 0.00 C ATOM 155 CG2 ILE A 10 0.998 4.452 -3.557 1.00 0.00 C ATOM 156 CD1 ILE A 10 1.790 3.674 -0.694 1.00 0.00 C ATOM 0 H ILE A 10 2.285 6.842 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 10 3.362 4.897 -2.399 1.00 0.00 H new ATOM 0 HB ILE A 10 0.695 6.362 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.879 5.595 -0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.168 4.468 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.061 4.193 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.267 4.898 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.591 3.551 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.473 3.256 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.748 2.900 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.812 4.044 -0.607 1.00 0.00 H new ATOM 168 N LEU A 11 3.839 5.968 -4.606 1.00 0.00 N ATOM 169 CA LEU A 11 4.206 6.653 -5.882 1.00 0.00 C ATOM 170 C LEU A 11 3.659 5.853 -7.070 1.00 0.00 C ATOM 171 O LEU A 11 4.191 5.915 -8.162 1.00 0.00 O ATOM 172 CB LEU A 11 5.736 6.748 -6.000 1.00 0.00 C ATOM 173 CG LEU A 11 6.233 8.143 -5.583 1.00 0.00 C ATOM 174 CD1 LEU A 11 5.581 9.224 -6.452 1.00 0.00 C ATOM 175 CD2 LEU A 11 5.892 8.392 -4.114 1.00 0.00 C ATOM 0 H LEU A 11 4.203 5.021 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 11 3.777 7.655 -5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.201 5.989 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.039 6.541 -7.026 1.00 0.00 H new ATOM 0 HG LEU A 11 7.314 8.186 -5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.943 10.205 -6.145 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.837 9.054 -7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.498 9.183 -6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.245 9.381 -3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.812 8.337 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.375 7.636 -3.495 1.00 0.00 H new ATOM 187 N ARG A 12 2.606 5.103 -6.866 1.00 0.00 N ATOM 188 CA ARG A 12 2.027 4.297 -7.981 1.00 0.00 C ATOM 189 C ARG A 12 1.068 5.167 -8.794 1.00 0.00 C ATOM 190 O ARG A 12 0.101 5.689 -8.276 1.00 0.00 O ATOM 191 CB ARG A 12 1.266 3.104 -7.402 1.00 0.00 C ATOM 192 CG ARG A 12 1.377 1.914 -8.358 1.00 0.00 C ATOM 193 CD ARG A 12 0.482 2.151 -9.575 1.00 0.00 C ATOM 194 NE ARG A 12 0.567 0.979 -10.491 1.00 0.00 N ATOM 195 CZ ARG A 12 -0.496 0.261 -10.733 1.00 0.00 C ATOM 196 NH1 ARG A 12 -1.198 -0.219 -9.744 1.00 0.00 N ATOM 197 NH2 ARG A 12 -0.856 0.025 -11.965 1.00 0.00 N ATOM 0 H ARG A 12 2.122 5.015 -5.973 1.00 0.00 H new ATOM 0 HA ARG A 12 2.829 3.939 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.673 2.839 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.219 3.366 -7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.412 1.784 -8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.081 0.997 -7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.549 2.303 -9.257 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.792 3.057 -10.096 1.00 0.00 H new ATOM 0 HE ARG A 12 1.456 0.738 -10.929 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.916 -0.033 -8.781 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.029 -0.780 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.307 0.401 -12.738 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.686 -0.536 -12.155 1.00 0.00 H new ATOM 211 N LYS A 13 1.330 5.324 -10.066 1.00 0.00 N ATOM 212 CA LYS A 13 0.441 6.160 -10.927 1.00 0.00 C ATOM 213 C LYS A 13 -0.983 5.597 -10.912 1.00 0.00 C ATOM 214 O LYS A 13 -1.930 6.289 -10.586 1.00 0.00 O ATOM 215 CB LYS A 13 0.971 6.149 -12.361 1.00 0.00 C ATOM 216 CG LYS A 13 2.364 6.781 -12.397 1.00 0.00 C ATOM 217 CD LYS A 13 3.219 6.075 -13.450 1.00 0.00 C ATOM 218 CE LYS A 13 3.123 6.829 -14.777 1.00 0.00 C ATOM 219 NZ LYS A 13 4.232 6.398 -15.676 1.00 0.00 N ATOM 0 H LYS A 13 2.126 4.907 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 13 0.428 7.180 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.015 5.126 -12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.294 6.699 -13.014 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.287 7.843 -12.629 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.836 6.702 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.257 6.030 -13.120 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.880 5.047 -13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.161 6.633 -15.250 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.179 7.903 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.167 6.911 -16.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.146 6.606 -15.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.158 5.376 -15.853 1.00 0.00 H new ATOM 233 N GLU A 14 -1.140 4.346 -11.267 1.00 0.00 N ATOM 234 CA GLU A 14 -2.499 3.731 -11.284 1.00 0.00 C ATOM 235 C GLU A 14 -2.803 3.099 -9.922 1.00 0.00 C ATOM 236 O GLU A 14 -2.715 1.896 -9.753 1.00 0.00 O ATOM 237 CB GLU A 14 -2.556 2.656 -12.373 1.00 0.00 C ATOM 238 CG GLU A 14 -3.010 3.286 -13.691 1.00 0.00 C ATOM 239 CD GLU A 14 -3.462 2.187 -14.654 1.00 0.00 C ATOM 240 OE1 GLU A 14 -4.437 1.522 -14.346 1.00 0.00 O ATOM 241 OE2 GLU A 14 -2.825 2.028 -15.681 1.00 0.00 O ATOM 0 H GLU A 14 -0.382 3.724 -11.546 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.241 4.502 -11.492 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.575 2.196 -12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.245 1.864 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.827 3.984 -13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.194 3.858 -14.133 1.00 0.00 H new ATOM 248 N SER A 15 -3.169 3.900 -8.952 1.00 0.00 N ATOM 249 CA SER A 15 -3.492 3.349 -7.602 1.00 0.00 C ATOM 250 C SER A 15 -4.578 4.204 -6.945 1.00 0.00 C ATOM 251 O SER A 15 -4.599 5.413 -7.077 1.00 0.00 O ATOM 252 CB SER A 15 -2.238 3.344 -6.727 1.00 0.00 C ATOM 253 OG SER A 15 -1.591 4.603 -6.822 1.00 0.00 O ATOM 0 H SER A 15 -3.258 4.912 -9.038 1.00 0.00 H new ATOM 0 HA SER A 15 -3.853 2.326 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.505 3.138 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.562 2.551 -7.046 1.00 0.00 H new ATOM 0 HG SER A 15 -1.199 4.703 -7.715 1.00 0.00 H new ATOM 259 N TYR A 16 -5.484 3.574 -6.246 1.00 0.00 N ATOM 260 CA TYR A 16 -6.592 4.317 -5.576 1.00 0.00 C ATOM 261 C TYR A 16 -6.038 5.306 -4.535 1.00 0.00 C ATOM 262 O TYR A 16 -6.749 6.185 -4.083 1.00 0.00 O ATOM 263 CB TYR A 16 -7.519 3.304 -4.888 1.00 0.00 C ATOM 264 CG TYR A 16 -8.687 4.007 -4.223 1.00 0.00 C ATOM 265 CD1 TYR A 16 -9.424 4.974 -4.922 1.00 0.00 C ATOM 266 CD2 TYR A 16 -9.030 3.686 -2.904 1.00 0.00 C ATOM 267 CE1 TYR A 16 -10.503 5.615 -4.298 1.00 0.00 C ATOM 268 CE2 TYR A 16 -10.107 4.327 -2.283 1.00 0.00 C ATOM 269 CZ TYR A 16 -10.844 5.292 -2.980 1.00 0.00 C ATOM 270 OH TYR A 16 -11.906 5.925 -2.368 1.00 0.00 O ATOM 0 H TYR A 16 -5.504 2.563 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.144 4.887 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.890 2.587 -5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.958 2.738 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.161 5.224 -5.939 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.462 2.942 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.072 6.359 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.370 4.078 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.008 5.584 -1.455 1.00 0.00 H new ATOM 280 N TRP A 17 -4.792 5.170 -4.139 1.00 0.00 N ATOM 281 CA TRP A 17 -4.235 6.108 -3.117 1.00 0.00 C ATOM 282 C TRP A 17 -2.954 6.775 -3.633 1.00 0.00 C ATOM 283 O TRP A 17 -2.042 7.048 -2.875 1.00 0.00 O ATOM 284 CB TRP A 17 -3.938 5.329 -1.832 1.00 0.00 C ATOM 285 CG TRP A 17 -5.203 4.702 -1.326 1.00 0.00 C ATOM 286 CD1 TRP A 17 -6.407 5.320 -1.258 1.00 0.00 C ATOM 287 CD2 TRP A 17 -5.412 3.351 -0.816 1.00 0.00 C ATOM 288 NE1 TRP A 17 -7.337 4.436 -0.750 1.00 0.00 N ATOM 289 CE2 TRP A 17 -6.774 3.211 -0.457 1.00 0.00 C ATOM 290 CE3 TRP A 17 -4.563 2.245 -0.632 1.00 0.00 C ATOM 291 CZ2 TRP A 17 -7.276 2.019 0.065 1.00 0.00 C ATOM 292 CZ3 TRP A 17 -5.066 1.043 -0.106 1.00 0.00 C ATOM 293 CH2 TRP A 17 -6.421 0.932 0.242 1.00 0.00 C ATOM 0 H TRP A 17 -4.145 4.457 -4.477 1.00 0.00 H new ATOM 0 HA TRP A 17 -4.967 6.890 -2.915 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.190 4.560 -2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.522 5.996 -1.077 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.607 6.339 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -8.322 4.661 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.519 2.320 -0.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.320 1.939 0.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.406 0.199 0.031 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.801 0.006 0.646 1.00 0.00 H new ATOM 304 N TYR A 18 -2.888 7.056 -4.911 1.00 0.00 N ATOM 305 CA TYR A 18 -1.675 7.723 -5.475 1.00 0.00 C ATOM 306 C TYR A 18 -1.599 9.160 -4.941 1.00 0.00 C ATOM 307 O TYR A 18 -2.562 9.901 -4.996 1.00 0.00 O ATOM 308 CB TYR A 18 -1.771 7.748 -7.009 1.00 0.00 C ATOM 309 CG TYR A 18 -0.561 8.441 -7.610 1.00 0.00 C ATOM 310 CD1 TYR A 18 0.733 8.111 -7.182 1.00 0.00 C ATOM 311 CD2 TYR A 18 -0.741 9.414 -8.602 1.00 0.00 C ATOM 312 CE1 TYR A 18 1.842 8.755 -7.745 1.00 0.00 C ATOM 313 CE2 TYR A 18 0.369 10.057 -9.162 1.00 0.00 C ATOM 314 CZ TYR A 18 1.660 9.728 -8.734 1.00 0.00 C ATOM 315 OH TYR A 18 2.753 10.361 -9.289 1.00 0.00 O ATOM 0 H TYR A 18 -3.623 6.852 -5.588 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.781 7.174 -5.179 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.840 6.729 -7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.681 8.265 -7.313 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.874 7.360 -6.418 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.737 9.668 -8.935 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.839 8.500 -7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.229 10.808 -9.925 1.00 0.00 H new ATOM 0 HH TYR A 18 2.451 11.007 -9.961 1.00 0.00 H new ATOM 325 N GLY A 19 -0.457 9.558 -4.437 1.00 0.00 N ATOM 326 CA GLY A 19 -0.310 10.949 -3.912 1.00 0.00 C ATOM 327 C GLY A 19 -0.464 10.975 -2.385 1.00 0.00 C ATOM 328 O GLY A 19 -0.173 11.975 -1.754 1.00 0.00 O ATOM 0 H GLY A 19 0.380 8.979 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.666 11.346 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.059 11.596 -4.369 1.00 0.00 H new ATOM 332 N ASP A 20 -0.919 9.900 -1.783 1.00 0.00 N ATOM 333 CA ASP A 20 -1.086 9.890 -0.298 1.00 0.00 C ATOM 334 C ASP A 20 -0.029 8.984 0.332 1.00 0.00 C ATOM 335 O ASP A 20 0.712 8.313 -0.356 1.00 0.00 O ATOM 336 CB ASP A 20 -2.482 9.370 0.057 1.00 0.00 C ATOM 337 CG ASP A 20 -3.013 10.123 1.279 1.00 0.00 C ATOM 338 OD1 ASP A 20 -2.824 11.326 1.338 1.00 0.00 O ATOM 339 OD2 ASP A 20 -3.600 9.482 2.135 1.00 0.00 O ATOM 0 H ASP A 20 -1.180 9.034 -2.255 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.968 10.904 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.157 9.505 -0.788 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.441 8.301 0.265 1.00 0.00 H new ATOM 344 N VAL A 21 0.039 8.961 1.638 1.00 0.00 N ATOM 345 CA VAL A 21 1.041 8.097 2.331 1.00 0.00 C ATOM 346 C VAL A 21 0.305 6.965 3.054 1.00 0.00 C ATOM 347 O VAL A 21 -0.890 7.034 3.277 1.00 0.00 O ATOM 348 CB VAL A 21 1.832 8.943 3.340 1.00 0.00 C ATOM 349 CG1 VAL A 21 2.848 8.067 4.082 1.00 0.00 C ATOM 350 CG2 VAL A 21 2.580 10.049 2.593 1.00 0.00 C ATOM 0 H VAL A 21 -0.560 9.507 2.258 1.00 0.00 H new ATOM 0 HA VAL A 21 1.735 7.672 1.606 1.00 0.00 H new ATOM 0 HB VAL A 21 1.139 9.378 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.403 8.677 4.795 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.324 7.274 4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.541 7.626 3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.143 10.652 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.266 9.602 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.864 10.681 2.068 1.00 0.00 H new ATOM 360 N GLY A 22 1.011 5.924 3.417 1.00 0.00 N ATOM 361 CA GLY A 22 0.360 4.782 4.120 1.00 0.00 C ATOM 362 C GLY A 22 1.309 4.216 5.179 1.00 0.00 C ATOM 363 O GLY A 22 2.514 4.351 5.079 1.00 0.00 O ATOM 0 H GLY A 22 2.012 5.818 3.255 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.567 5.112 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.095 4.005 3.403 1.00 0.00 H new ATOM 367 N THR A 23 0.772 3.582 6.194 1.00 0.00 N ATOM 368 CA THR A 23 1.638 3.000 7.263 1.00 0.00 C ATOM 369 C THR A 23 2.083 1.599 6.843 1.00 0.00 C ATOM 370 O THR A 23 1.291 0.680 6.777 1.00 0.00 O ATOM 371 CB THR A 23 0.854 2.921 8.578 1.00 0.00 C ATOM 372 OG1 THR A 23 0.356 4.210 8.906 1.00 0.00 O ATOM 373 CG2 THR A 23 1.782 2.431 9.691 1.00 0.00 C ATOM 0 H THR A 23 -0.230 3.443 6.327 1.00 0.00 H new ATOM 0 HA THR A 23 2.514 3.633 7.408 1.00 0.00 H new ATOM 0 HB THR A 23 0.020 2.227 8.469 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.147 4.162 9.746 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.228 2.374 10.628 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.167 1.444 9.436 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.614 3.126 9.804 1.00 0.00 H new ATOM 381 N VAL A 24 3.349 1.427 6.561 1.00 0.00 N ATOM 382 CA VAL A 24 3.858 0.080 6.133 1.00 0.00 C ATOM 383 C VAL A 24 3.446 -0.986 7.157 1.00 0.00 C ATOM 384 O VAL A 24 3.464 -0.749 8.351 1.00 0.00 O ATOM 385 CB VAL A 24 5.391 0.093 6.015 1.00 0.00 C ATOM 386 CG1 VAL A 24 5.840 -1.128 5.210 1.00 0.00 C ATOM 387 CG2 VAL A 24 5.865 1.363 5.302 1.00 0.00 C ATOM 0 H VAL A 24 4.057 2.160 6.607 1.00 0.00 H new ATOM 0 HA VAL A 24 3.425 -0.154 5.160 1.00 0.00 H new ATOM 0 HB VAL A 24 5.822 0.068 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.926 -1.126 5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.519 -2.037 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.395 -1.092 4.216 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.952 1.354 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.433 1.401 4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.547 2.238 5.868 1.00 0.00 H new ATOM 397 N ALA A 25 3.065 -2.149 6.696 1.00 0.00 N ATOM 398 CA ALA A 25 2.642 -3.231 7.633 1.00 0.00 C ATOM 399 C ALA A 25 3.696 -4.340 7.650 1.00 0.00 C ATOM 400 O ALA A 25 4.137 -4.769 8.700 1.00 0.00 O ATOM 401 CB ALA A 25 1.302 -3.808 7.173 1.00 0.00 C ATOM 0 H ALA A 25 3.029 -2.396 5.707 1.00 0.00 H new ATOM 0 HA ALA A 25 2.537 -2.819 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.992 -4.598 7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.550 -3.019 7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.408 -4.218 6.169 1.00 0.00 H new ATOM 407 N SER A 26 4.098 -4.806 6.496 1.00 0.00 N ATOM 408 CA SER A 26 5.120 -5.890 6.437 1.00 0.00 C ATOM 409 C SER A 26 5.573 -6.090 4.988 1.00 0.00 C ATOM 410 O SER A 26 4.935 -5.629 4.058 1.00 0.00 O ATOM 411 CB SER A 26 4.508 -7.188 6.964 1.00 0.00 C ATOM 412 OG SER A 26 4.821 -7.330 8.343 1.00 0.00 O ATOM 0 H SER A 26 3.761 -4.481 5.590 1.00 0.00 H new ATOM 0 HA SER A 26 5.979 -5.615 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.427 -7.177 6.824 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.893 -8.039 6.403 1.00 0.00 H new ATOM 0 HG SER A 26 4.648 -6.484 8.807 1.00 0.00 H new ATOM 418 N ILE A 27 6.670 -6.777 4.795 1.00 0.00 N ATOM 419 CA ILE A 27 7.177 -7.018 3.411 1.00 0.00 C ATOM 420 C ILE A 27 7.051 -8.507 3.080 1.00 0.00 C ATOM 421 O ILE A 27 6.888 -9.333 3.958 1.00 0.00 O ATOM 422 CB ILE A 27 8.649 -6.598 3.324 1.00 0.00 C ATOM 423 CG1 ILE A 27 8.818 -5.166 3.861 1.00 0.00 C ATOM 424 CG2 ILE A 27 9.115 -6.663 1.867 1.00 0.00 C ATOM 425 CD1 ILE A 27 7.977 -4.178 3.039 1.00 0.00 C ATOM 0 H ILE A 27 7.238 -7.182 5.539 1.00 0.00 H new ATOM 0 HA ILE A 27 6.592 -6.434 2.701 1.00 0.00 H new ATOM 0 HB ILE A 27 9.252 -7.277 3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 27 8.516 -5.126 4.908 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.869 -4.879 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.161 -6.364 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.006 -7.682 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.509 -5.989 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.110 -3.171 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.299 -4.205 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.925 -4.456 3.101 1.00 0.00 H new ATOM 437 N ASP A 28 7.127 -8.851 1.819 1.00 0.00 N ATOM 438 CA ASP A 28 7.013 -10.285 1.423 1.00 0.00 C ATOM 439 C ASP A 28 8.409 -10.844 1.137 1.00 0.00 C ATOM 440 O ASP A 28 9.409 -10.196 1.383 1.00 0.00 O ATOM 441 CB ASP A 28 6.141 -10.397 0.166 1.00 0.00 C ATOM 442 CG ASP A 28 5.163 -11.569 0.310 1.00 0.00 C ATOM 443 OD1 ASP A 28 5.498 -12.519 1.000 1.00 0.00 O ATOM 444 OD2 ASP A 28 4.095 -11.496 -0.275 1.00 0.00 O ATOM 0 H ASP A 28 7.263 -8.199 1.047 1.00 0.00 H new ATOM 0 HA ASP A 28 6.555 -10.855 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.590 -9.469 0.012 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.771 -10.543 -0.712 1.00 0.00 H new ATOM 449 N LYS A 29 8.483 -12.044 0.620 1.00 0.00 N ATOM 450 CA LYS A 29 9.810 -12.654 0.314 1.00 0.00 C ATOM 451 C LYS A 29 10.111 -12.502 -1.178 1.00 0.00 C ATOM 452 O LYS A 29 10.676 -13.381 -1.800 1.00 0.00 O ATOM 453 CB LYS A 29 9.785 -14.140 0.681 1.00 0.00 C ATOM 454 CG LYS A 29 11.210 -14.624 0.955 1.00 0.00 C ATOM 455 CD LYS A 29 11.587 -14.305 2.403 1.00 0.00 C ATOM 456 CE LYS A 29 12.595 -15.339 2.909 1.00 0.00 C ATOM 457 NZ LYS A 29 11.894 -16.627 3.173 1.00 0.00 N ATOM 0 H LYS A 29 7.678 -12.629 0.396 1.00 0.00 H new ATOM 0 HA LYS A 29 10.583 -12.149 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.161 -14.297 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.343 -14.718 -0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.282 -15.697 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.908 -14.140 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.014 -13.304 2.466 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.697 -14.312 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.383 -15.486 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.074 -14.980 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.435 -17.180 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.943 -16.434 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.814 -17.167 2.288 1.00 0.00 H new ATOM 471 N SER A 30 9.735 -11.386 -1.757 1.00 0.00 N ATOM 472 CA SER A 30 9.993 -11.160 -3.213 1.00 0.00 C ATOM 473 C SER A 30 9.288 -12.243 -4.036 1.00 0.00 C ATOM 474 O SER A 30 9.759 -12.640 -5.084 1.00 0.00 O ATOM 475 CB SER A 30 11.498 -11.213 -3.484 1.00 0.00 C ATOM 476 OG SER A 30 11.755 -10.737 -4.799 1.00 0.00 O ATOM 0 H SER A 30 9.259 -10.620 -1.281 1.00 0.00 H new ATOM 0 HA SER A 30 9.608 -10.181 -3.497 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.032 -10.605 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.863 -12.234 -3.377 1.00 0.00 H new ATOM 0 HG SER A 30 11.160 -11.190 -5.433 1.00 0.00 H new ATOM 482 N GLY A 31 8.165 -12.719 -3.564 1.00 0.00 N ATOM 483 CA GLY A 31 7.421 -13.777 -4.310 1.00 0.00 C ATOM 484 C GLY A 31 6.655 -13.141 -5.470 1.00 0.00 C ATOM 485 O GLY A 31 6.446 -13.758 -6.498 1.00 0.00 O ATOM 0 H GLY A 31 7.730 -12.419 -2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.116 -14.528 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.730 -14.290 -3.642 1.00 0.00 H new ATOM 489 N ILE A 32 6.234 -11.912 -5.311 1.00 0.00 N ATOM 490 CA ILE A 32 5.479 -11.226 -6.400 1.00 0.00 C ATOM 491 C ILE A 32 6.183 -9.918 -6.764 1.00 0.00 C ATOM 492 O ILE A 32 7.250 -9.617 -6.263 1.00 0.00 O ATOM 493 CB ILE A 32 4.056 -10.925 -5.923 1.00 0.00 C ATOM 494 CG1 ILE A 32 4.114 -10.145 -4.607 1.00 0.00 C ATOM 495 CG2 ILE A 32 3.302 -12.236 -5.704 1.00 0.00 C ATOM 496 CD1 ILE A 32 2.782 -9.431 -4.378 1.00 0.00 C ATOM 0 H ILE A 32 6.382 -11.353 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 32 5.439 -11.872 -7.277 1.00 0.00 H new ATOM 0 HB ILE A 32 3.539 -10.331 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.322 -10.823 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.927 -9.420 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.289 -12.021 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.260 -12.793 -6.640 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.818 -12.831 -4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.823 -8.876 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.593 -8.741 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.979 -10.166 -4.329 1.00 0.00 H new ATOM 508 N ILE A 33 5.591 -9.139 -7.635 1.00 0.00 N ATOM 509 CA ILE A 33 6.217 -7.847 -8.041 1.00 0.00 C ATOM 510 C ILE A 33 5.976 -6.795 -6.948 1.00 0.00 C ATOM 511 O ILE A 33 6.753 -5.873 -6.784 1.00 0.00 O ATOM 512 CB ILE A 33 5.605 -7.385 -9.374 1.00 0.00 C ATOM 513 CG1 ILE A 33 6.244 -6.062 -9.809 1.00 0.00 C ATOM 514 CG2 ILE A 33 4.094 -7.193 -9.217 1.00 0.00 C ATOM 515 CD1 ILE A 33 5.795 -5.721 -11.232 1.00 0.00 C ATOM 0 H ILE A 33 4.698 -9.345 -8.083 1.00 0.00 H new ATOM 0 HA ILE A 33 7.291 -7.979 -8.170 1.00 0.00 H new ATOM 0 HB ILE A 33 5.795 -8.146 -10.131 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.956 -5.264 -9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.330 -6.140 -9.768 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.668 -6.866 -10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.636 -8.137 -8.920 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.900 -6.440 -8.453 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.250 -4.780 -11.541 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.106 -6.515 -11.912 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.710 -5.625 -11.258 1.00 0.00 H new ATOM 527 N TYR A 34 4.905 -6.928 -6.204 1.00 0.00 N ATOM 528 CA TYR A 34 4.609 -5.941 -5.122 1.00 0.00 C ATOM 529 C TYR A 34 4.517 -6.677 -3.769 1.00 0.00 C ATOM 530 O TYR A 34 3.431 -6.965 -3.307 1.00 0.00 O ATOM 531 CB TYR A 34 3.276 -5.245 -5.423 1.00 0.00 C ATOM 532 CG TYR A 34 3.283 -4.684 -6.831 1.00 0.00 C ATOM 533 CD1 TYR A 34 4.370 -3.924 -7.287 1.00 0.00 C ATOM 534 CD2 TYR A 34 2.195 -4.921 -7.678 1.00 0.00 C ATOM 535 CE1 TYR A 34 4.367 -3.407 -8.588 1.00 0.00 C ATOM 536 CE2 TYR A 34 2.192 -4.403 -8.979 1.00 0.00 C ATOM 537 CZ TYR A 34 3.278 -3.647 -9.434 1.00 0.00 C ATOM 538 OH TYR A 34 3.274 -3.136 -10.716 1.00 0.00 O ATOM 0 H TYR A 34 4.222 -7.680 -6.301 1.00 0.00 H new ATOM 0 HA TYR A 34 5.404 -5.197 -5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.455 -5.953 -5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.106 -4.443 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.210 -3.738 -6.634 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.356 -5.504 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.205 -2.823 -8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.351 -4.587 -9.631 1.00 0.00 H new ATOM 0 HH TYR A 34 2.445 -3.396 -11.169 1.00 0.00 H new ATOM 548 N PRO A 35 5.660 -6.978 -3.172 1.00 0.00 N ATOM 549 CA PRO A 35 5.706 -7.697 -1.883 1.00 0.00 C ATOM 550 C PRO A 35 5.503 -6.749 -0.688 1.00 0.00 C ATOM 551 O PRO A 35 5.356 -7.195 0.435 1.00 0.00 O ATOM 552 CB PRO A 35 7.122 -8.279 -1.851 1.00 0.00 C ATOM 553 CG PRO A 35 7.979 -7.406 -2.798 1.00 0.00 C ATOM 554 CD PRO A 35 7.002 -6.649 -3.715 1.00 0.00 C ATOM 0 HA PRO A 35 4.917 -8.445 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.525 -8.263 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.121 -9.319 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.594 -6.708 -2.229 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.658 -8.025 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.187 -5.575 -3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.101 -6.969 -4.752 1.00 0.00 H new ATOM 562 N VAL A 36 5.510 -5.454 -0.905 1.00 0.00 N ATOM 563 CA VAL A 36 5.338 -4.502 0.237 1.00 0.00 C ATOM 564 C VAL A 36 3.867 -4.117 0.388 1.00 0.00 C ATOM 565 O VAL A 36 3.311 -3.449 -0.459 1.00 0.00 O ATOM 566 CB VAL A 36 6.150 -3.233 -0.029 1.00 0.00 C ATOM 567 CG1 VAL A 36 6.141 -2.354 1.222 1.00 0.00 C ATOM 568 CG2 VAL A 36 7.593 -3.607 -0.381 1.00 0.00 C ATOM 0 H VAL A 36 5.627 -5.018 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 36 5.683 -4.987 1.150 1.00 0.00 H new ATOM 0 HB VAL A 36 5.707 -2.688 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.719 -1.449 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.114 -2.084 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.583 -2.901 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.168 -2.701 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.040 -4.154 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.599 -4.233 -1.273 1.00 0.00 H new ATOM 578 N ILE A 37 3.233 -4.510 1.467 1.00 0.00 N ATOM 579 CA ILE A 37 1.800 -4.136 1.655 1.00 0.00 C ATOM 580 C ILE A 37 1.726 -2.902 2.574 1.00 0.00 C ATOM 581 O ILE A 37 2.114 -2.947 3.727 1.00 0.00 O ATOM 582 CB ILE A 37 1.002 -5.362 2.198 1.00 0.00 C ATOM 583 CG1 ILE A 37 -0.316 -5.483 1.424 1.00 0.00 C ATOM 584 CG2 ILE A 37 0.676 -5.255 3.698 1.00 0.00 C ATOM 585 CD1 ILE A 37 -0.029 -5.782 -0.050 1.00 0.00 C ATOM 0 H ILE A 37 3.642 -5.067 2.217 1.00 0.00 H new ATOM 0 HA ILE A 37 1.336 -3.864 0.707 1.00 0.00 H new ATOM 0 HB ILE A 37 1.635 -6.239 2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.928 -6.277 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.886 -4.558 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.120 -6.138 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.603 -5.187 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.074 -4.364 3.877 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.970 -5.867 -0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.565 -4.974 -0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.522 -6.719 -0.131 1.00 0.00 H new ATOM 597 N VAL A 38 1.242 -1.803 2.057 1.00 0.00 N ATOM 598 CA VAL A 38 1.146 -0.562 2.876 1.00 0.00 C ATOM 599 C VAL A 38 -0.233 -0.497 3.540 1.00 0.00 C ATOM 600 O VAL A 38 -1.142 -1.209 3.165 1.00 0.00 O ATOM 601 CB VAL A 38 1.352 0.655 1.970 1.00 0.00 C ATOM 602 CG1 VAL A 38 1.373 1.929 2.814 1.00 0.00 C ATOM 603 CG2 VAL A 38 2.683 0.516 1.228 1.00 0.00 C ATOM 0 H VAL A 38 0.908 -1.713 1.098 1.00 0.00 H new ATOM 0 HA VAL A 38 1.913 -0.567 3.650 1.00 0.00 H new ATOM 0 HB VAL A 38 0.535 0.712 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.520 2.793 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.426 2.030 3.344 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.188 1.874 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.832 1.381 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.498 0.458 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.669 -0.390 0.623 1.00 0.00 H new ATOM 613 N ARG A 39 -0.387 0.347 4.527 1.00 0.00 N ATOM 614 CA ARG A 39 -1.696 0.467 5.233 1.00 0.00 C ATOM 615 C ARG A 39 -2.349 1.806 4.874 1.00 0.00 C ATOM 616 O ARG A 39 -1.674 2.786 4.617 1.00 0.00 O ATOM 617 CB ARG A 39 -1.450 0.405 6.744 1.00 0.00 C ATOM 618 CG ARG A 39 -2.775 0.478 7.501 1.00 0.00 C ATOM 619 CD ARG A 39 -2.545 0.076 8.958 1.00 0.00 C ATOM 620 NE ARG A 39 -3.794 -0.516 9.514 1.00 0.00 N ATOM 621 CZ ARG A 39 -4.132 -0.282 10.753 1.00 0.00 C ATOM 622 NH1 ARG A 39 -4.625 0.879 11.087 1.00 0.00 N ATOM 623 NH2 ARG A 39 -3.975 -1.209 11.657 1.00 0.00 N ATOM 0 H ARG A 39 0.346 0.964 4.877 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.357 -0.346 4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.929 -0.519 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.804 1.228 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.181 1.488 7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.508 -0.184 7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.729 -0.643 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.250 0.946 9.544 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.385 -1.104 8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.746 1.604 10.380 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.889 1.062 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.588 -2.116 11.396 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.239 -1.027 12.625 1.00 0.00 H new ATOM 637 N PHE A 40 -3.657 1.852 4.861 1.00 0.00 N ATOM 638 CA PHE A 40 -4.365 3.121 4.525 1.00 0.00 C ATOM 639 C PHE A 40 -5.667 3.206 5.324 1.00 0.00 C ATOM 640 O PHE A 40 -6.236 2.202 5.710 1.00 0.00 O ATOM 641 CB PHE A 40 -4.700 3.149 3.033 1.00 0.00 C ATOM 642 CG PHE A 40 -3.444 2.952 2.219 1.00 0.00 C ATOM 643 CD1 PHE A 40 -2.981 1.659 1.950 1.00 0.00 C ATOM 644 CD2 PHE A 40 -2.749 4.062 1.726 1.00 0.00 C ATOM 645 CE1 PHE A 40 -1.822 1.476 1.188 1.00 0.00 C ATOM 646 CE2 PHE A 40 -1.589 3.879 0.965 1.00 0.00 C ATOM 647 CZ PHE A 40 -1.125 2.586 0.696 1.00 0.00 C ATOM 0 H PHE A 40 -4.266 1.061 5.070 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.719 3.964 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.422 2.366 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.166 4.100 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.518 0.803 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.108 5.059 1.933 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.465 0.478 0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.052 4.735 0.585 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.230 2.445 0.109 1.00 0.00 H new ATOM 657 N ASN A 41 -6.149 4.400 5.559 1.00 0.00 N ATOM 658 CA ASN A 41 -7.425 4.564 6.314 1.00 0.00 C ATOM 659 C ASN A 41 -8.553 4.834 5.317 1.00 0.00 C ATOM 660 O ASN A 41 -9.479 5.574 5.592 1.00 0.00 O ATOM 661 CB ASN A 41 -7.301 5.745 7.281 1.00 0.00 C ATOM 662 CG ASN A 41 -6.636 5.275 8.576 1.00 0.00 C ATOM 663 OD1 ASN A 41 -5.472 4.925 8.582 1.00 0.00 O ATOM 664 ND2 ASN A 41 -7.329 5.255 9.681 1.00 0.00 N ATOM 0 H ASN A 41 -5.711 5.271 5.259 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.640 3.659 6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.713 6.542 6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.286 6.159 7.495 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.894 4.946 10.550 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.306 5.549 9.676 1.00 0.00 H new ATOM 671 N LYS A 42 -8.467 4.242 4.153 1.00 0.00 N ATOM 672 CA LYS A 42 -9.511 4.455 3.112 1.00 0.00 C ATOM 673 C LYS A 42 -10.065 3.097 2.665 1.00 0.00 C ATOM 674 O LYS A 42 -10.050 2.760 1.495 1.00 0.00 O ATOM 675 CB LYS A 42 -8.873 5.171 1.918 1.00 0.00 C ATOM 676 CG LYS A 42 -9.960 5.719 0.986 1.00 0.00 C ATOM 677 CD LYS A 42 -10.674 6.898 1.659 1.00 0.00 C ATOM 678 CE LYS A 42 -10.125 8.216 1.106 1.00 0.00 C ATOM 679 NZ LYS A 42 -10.276 9.286 2.131 1.00 0.00 N ATOM 0 H LYS A 42 -7.710 3.615 3.879 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.325 5.059 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.240 5.986 2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.230 4.481 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.516 6.040 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.678 4.934 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.747 6.836 1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.528 6.856 2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.075 8.101 0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.658 8.491 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.903 10.181 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.282 9.402 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.748 9.023 2.988 1.00 0.00 H new ATOM 693 N VAL A 43 -10.553 2.312 3.593 1.00 0.00 N ATOM 694 CA VAL A 43 -11.108 0.971 3.239 1.00 0.00 C ATOM 695 C VAL A 43 -12.261 1.134 2.243 1.00 0.00 C ATOM 696 O VAL A 43 -13.295 1.690 2.563 1.00 0.00 O ATOM 697 CB VAL A 43 -11.619 0.283 4.505 1.00 0.00 C ATOM 698 CG1 VAL A 43 -12.060 -1.145 4.171 1.00 0.00 C ATOM 699 CG2 VAL A 43 -10.495 0.238 5.543 1.00 0.00 C ATOM 0 H VAL A 43 -10.591 2.544 4.585 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.325 0.364 2.784 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.467 0.839 4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.424 -1.634 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.857 -1.115 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.213 -1.703 3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.855 -0.252 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.650 -0.320 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.179 1.254 5.781 1.00 0.00 H new ATOM 709 N ASN A 44 -12.084 0.655 1.038 1.00 0.00 N ATOM 710 CA ASN A 44 -13.160 0.778 0.011 1.00 0.00 C ATOM 711 C ASN A 44 -14.209 -0.312 0.237 1.00 0.00 C ATOM 712 O ASN A 44 -13.918 -1.364 0.774 1.00 0.00 O ATOM 713 CB ASN A 44 -12.552 0.617 -1.384 1.00 0.00 C ATOM 714 CG ASN A 44 -13.365 1.432 -2.391 1.00 0.00 C ATOM 715 OD1 ASN A 44 -14.560 1.248 -2.515 1.00 0.00 O ATOM 716 ND2 ASN A 44 -12.766 2.332 -3.120 1.00 0.00 N ATOM 0 H ASN A 44 -11.237 0.183 0.721 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.631 1.758 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.515 0.952 -1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -12.546 -0.435 -1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.300 2.881 -3.794 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.763 2.487 -3.017 1.00 0.00 H new ATOM 723 N TYR A 45 -15.430 -0.064 -0.168 1.00 0.00 N ATOM 724 CA TYR A 45 -16.507 -1.078 0.017 1.00 0.00 C ATOM 725 C TYR A 45 -17.382 -1.127 -1.238 1.00 0.00 C ATOM 726 O TYR A 45 -18.468 -0.579 -1.272 1.00 0.00 O ATOM 727 CB TYR A 45 -17.364 -0.696 1.227 1.00 0.00 C ATOM 728 CG TYR A 45 -16.701 -1.189 2.490 1.00 0.00 C ATOM 729 CD1 TYR A 45 -16.397 -2.548 2.637 1.00 0.00 C ATOM 730 CD2 TYR A 45 -16.390 -0.288 3.516 1.00 0.00 C ATOM 731 CE1 TYR A 45 -15.782 -3.006 3.809 1.00 0.00 C ATOM 732 CE2 TYR A 45 -15.775 -0.746 4.687 1.00 0.00 C ATOM 733 CZ TYR A 45 -15.471 -2.104 4.834 1.00 0.00 C ATOM 734 OH TYR A 45 -14.865 -2.555 5.989 1.00 0.00 O ATOM 0 H TYR A 45 -15.726 0.801 -0.620 1.00 0.00 H new ATOM 0 HA TYR A 45 -16.061 -2.058 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -17.491 0.386 1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.359 -1.130 1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -16.637 -3.243 1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -16.625 0.760 3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.548 -4.054 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.535 -0.051 5.478 1.00 0.00 H new ATOM 0 HH TYR A 45 -14.717 -1.801 6.597 1.00 0.00 H new ATOM 744 N ASN A 46 -16.913 -1.782 -2.271 1.00 0.00 N ATOM 745 CA ASN A 46 -17.707 -1.874 -3.530 1.00 0.00 C ATOM 746 C ASN A 46 -18.476 -3.196 -3.554 1.00 0.00 C ATOM 747 O ASN A 46 -19.693 -3.215 -3.548 1.00 0.00 O ATOM 748 CB ASN A 46 -16.763 -1.812 -4.734 1.00 0.00 C ATOM 749 CG ASN A 46 -16.175 -0.405 -4.850 1.00 0.00 C ATOM 750 OD1 ASN A 46 -16.879 0.539 -5.149 1.00 0.00 O ATOM 751 ND2 ASN A 46 -14.903 -0.223 -4.625 1.00 0.00 N ATOM 0 H ASN A 46 -16.011 -2.258 -2.294 1.00 0.00 H new ATOM 0 HA ASN A 46 -18.411 -1.043 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.963 -2.544 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.302 -2.068 -5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.500 0.711 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.311 -1.015 -4.374 1.00 0.00 H new ATOM 758 N GLY A 47 -17.773 -4.300 -3.579 1.00 0.00 N ATOM 759 CA GLY A 47 -18.454 -5.627 -3.604 1.00 0.00 C ATOM 760 C GLY A 47 -17.455 -6.723 -3.228 1.00 0.00 C ATOM 761 O GLY A 47 -17.402 -7.155 -2.094 1.00 0.00 O ATOM 0 H GLY A 47 -16.754 -4.338 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.292 -5.630 -2.907 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.863 -5.819 -4.596 1.00 0.00 H new ATOM 765 N PHE A 48 -16.665 -7.168 -4.186 1.00 0.00 N ATOM 766 CA PHE A 48 -15.636 -8.246 -3.946 1.00 0.00 C ATOM 767 C PHE A 48 -16.184 -9.358 -3.037 1.00 0.00 C ATOM 768 O PHE A 48 -15.451 -9.978 -2.291 1.00 0.00 O ATOM 769 CB PHE A 48 -14.368 -7.640 -3.324 1.00 0.00 C ATOM 770 CG PHE A 48 -14.705 -6.870 -2.069 1.00 0.00 C ATOM 771 CD1 PHE A 48 -14.767 -7.530 -0.835 1.00 0.00 C ATOM 772 CD2 PHE A 48 -14.954 -5.494 -2.139 1.00 0.00 C ATOM 773 CE1 PHE A 48 -15.077 -6.813 0.328 1.00 0.00 C ATOM 774 CE2 PHE A 48 -15.265 -4.778 -0.977 1.00 0.00 C ATOM 775 CZ PHE A 48 -15.326 -5.438 0.257 1.00 0.00 C ATOM 0 H PHE A 48 -16.690 -6.822 -5.145 1.00 0.00 H new ATOM 0 HA PHE A 48 -15.390 -8.690 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.657 -8.432 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.884 -6.979 -4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.576 -8.592 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.906 -4.985 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.124 -7.322 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -15.458 -3.717 -1.032 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.565 -4.886 1.154 1.00 0.00 H new ATOM 785 N SER A 49 -17.468 -9.611 -3.101 1.00 0.00 N ATOM 786 CA SER A 49 -18.070 -10.678 -2.249 1.00 0.00 C ATOM 787 C SER A 49 -17.472 -12.033 -2.629 1.00 0.00 C ATOM 788 O SER A 49 -17.504 -12.435 -3.778 1.00 0.00 O ATOM 789 CB SER A 49 -19.583 -10.709 -2.465 1.00 0.00 C ATOM 790 OG SER A 49 -20.149 -11.749 -1.678 1.00 0.00 O ATOM 0 H SER A 49 -18.125 -9.122 -3.709 1.00 0.00 H new ATOM 0 HA SER A 49 -17.857 -10.469 -1.201 1.00 0.00 H new ATOM 0 HB2 SER A 49 -20.021 -9.750 -2.190 1.00 0.00 H new ATOM 0 HB3 SER A 49 -19.808 -10.871 -3.519 1.00 0.00 H new ATOM 0 HG SER A 49 -21.119 -11.770 -1.813 1.00 0.00 H new ATOM 796 N GLY A 50 -16.927 -12.740 -1.671 1.00 0.00 N ATOM 797 CA GLY A 50 -16.324 -14.073 -1.966 1.00 0.00 C ATOM 798 C GLY A 50 -14.800 -13.975 -1.883 1.00 0.00 C ATOM 799 O GLY A 50 -14.086 -14.678 -2.572 1.00 0.00 O ATOM 0 H GLY A 50 -16.874 -12.449 -0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.690 -14.814 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -16.624 -14.407 -2.959 1.00 0.00 H new ATOM 803 N SER A 51 -14.299 -13.103 -1.044 1.00 0.00 N ATOM 804 CA SER A 51 -12.821 -12.950 -0.908 1.00 0.00 C ATOM 805 C SER A 51 -12.511 -11.942 0.200 1.00 0.00 C ATOM 806 O SER A 51 -12.541 -10.744 -0.013 1.00 0.00 O ATOM 807 CB SER A 51 -12.237 -12.450 -2.230 1.00 0.00 C ATOM 808 OG SER A 51 -10.898 -12.910 -2.357 1.00 0.00 O ATOM 0 H SER A 51 -14.853 -12.490 -0.446 1.00 0.00 H new ATOM 0 HA SER A 51 -12.378 -13.914 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.838 -12.810 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.264 -11.361 -2.264 1.00 0.00 H new ATOM 0 HG SER A 51 -10.522 -12.592 -3.204 1.00 0.00 H new ATOM 814 N ALA A 52 -12.213 -12.419 1.384 1.00 0.00 N ATOM 815 CA ALA A 52 -11.896 -11.499 2.519 1.00 0.00 C ATOM 816 C ALA A 52 -13.097 -10.589 2.794 1.00 0.00 C ATOM 817 O ALA A 52 -14.111 -10.664 2.127 1.00 0.00 O ATOM 818 CB ALA A 52 -10.678 -10.643 2.165 1.00 0.00 C ATOM 0 H ALA A 52 -12.176 -13.412 1.613 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.676 -12.089 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.450 -9.974 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.822 -11.290 1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.894 -10.055 1.273 1.00 0.00 H new ATOM 824 N GLY A 53 -12.985 -9.729 3.775 1.00 0.00 N ATOM 825 CA GLY A 53 -14.113 -8.809 4.104 1.00 0.00 C ATOM 826 C GLY A 53 -13.749 -7.382 3.686 1.00 0.00 C ATOM 827 O GLY A 53 -14.606 -6.592 3.338 1.00 0.00 O ATOM 0 H GLY A 53 -12.158 -9.625 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.019 -9.130 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.324 -8.843 5.173 1.00 0.00 H new ATOM 831 N GLY A 54 -12.483 -7.051 3.719 1.00 0.00 N ATOM 832 CA GLY A 54 -12.053 -5.676 3.325 1.00 0.00 C ATOM 833 C GLY A 54 -10.567 -5.689 2.962 1.00 0.00 C ATOM 834 O GLY A 54 -9.859 -6.637 3.247 1.00 0.00 O ATOM 0 H GLY A 54 -11.728 -7.675 4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.642 -5.329 2.476 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.232 -4.979 4.144 1.00 0.00 H new ATOM 838 N LEU A 55 -10.093 -4.643 2.335 1.00 0.00 N ATOM 839 CA LEU A 55 -8.653 -4.584 1.948 1.00 0.00 C ATOM 840 C LEU A 55 -7.838 -3.995 3.104 1.00 0.00 C ATOM 841 O LEU A 55 -7.128 -4.697 3.797 1.00 0.00 O ATOM 842 CB LEU A 55 -8.490 -3.699 0.709 1.00 0.00 C ATOM 843 CG LEU A 55 -9.147 -4.370 -0.497 1.00 0.00 C ATOM 844 CD1 LEU A 55 -10.663 -4.191 -0.418 1.00 0.00 C ATOM 845 CD2 LEU A 55 -8.626 -3.723 -1.782 1.00 0.00 C ATOM 0 H LEU A 55 -10.644 -3.825 2.074 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.297 -5.590 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.943 -2.724 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.432 -3.528 0.510 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.907 -5.433 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.131 -4.670 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.036 -4.647 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.904 -3.128 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.093 -4.199 -2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.869 -2.660 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.545 -3.848 -1.840 1.00 0.00 H new ATOM 857 N ASN A 56 -7.938 -2.705 3.311 1.00 0.00 N ATOM 858 CA ASN A 56 -7.175 -2.042 4.415 1.00 0.00 C ATOM 859 C ASN A 56 -5.662 -2.142 4.161 1.00 0.00 C ATOM 860 O ASN A 56 -4.870 -1.872 5.042 1.00 0.00 O ATOM 861 CB ASN A 56 -7.508 -2.706 5.759 1.00 0.00 C ATOM 862 CG ASN A 56 -9.028 -2.850 5.917 1.00 0.00 C ATOM 863 OD1 ASN A 56 -9.789 -2.375 5.096 1.00 0.00 O ATOM 864 ND2 ASN A 56 -9.503 -3.492 6.949 1.00 0.00 N ATOM 0 H ASN A 56 -8.521 -2.077 2.757 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.463 -0.991 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.035 -3.686 5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.105 -2.109 6.577 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.511 -3.595 7.066 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.866 -3.891 7.639 1.00 0.00 H new ATOM 871 N THR A 57 -5.254 -2.511 2.967 1.00 0.00 N ATOM 872 CA THR A 57 -3.796 -2.615 2.658 1.00 0.00 C ATOM 873 C THR A 57 -3.621 -2.760 1.144 1.00 0.00 C ATOM 874 O THR A 57 -4.287 -3.557 0.510 1.00 0.00 O ATOM 875 CB THR A 57 -3.188 -3.838 3.360 1.00 0.00 C ATOM 876 OG1 THR A 57 -4.181 -4.846 3.495 1.00 0.00 O ATOM 877 CG2 THR A 57 -2.671 -3.439 4.742 1.00 0.00 C ATOM 0 H THR A 57 -5.875 -2.745 2.192 1.00 0.00 H new ATOM 0 HA THR A 57 -3.288 -1.718 3.013 1.00 0.00 H new ATOM 0 HB THR A 57 -2.358 -4.220 2.765 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.795 -5.628 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.241 -4.311 5.235 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.907 -2.668 4.636 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.496 -3.053 5.341 1.00 0.00 H new ATOM 885 N ASN A 58 -2.733 -1.994 0.562 1.00 0.00 N ATOM 886 CA ASN A 58 -2.516 -2.081 -0.914 1.00 0.00 C ATOM 887 C ASN A 58 -1.165 -2.747 -1.190 1.00 0.00 C ATOM 888 O ASN A 58 -0.356 -2.917 -0.301 1.00 0.00 O ATOM 889 CB ASN A 58 -2.534 -0.669 -1.518 1.00 0.00 C ATOM 890 CG ASN A 58 -3.770 -0.497 -2.409 1.00 0.00 C ATOM 891 OD1 ASN A 58 -3.702 0.132 -3.446 1.00 0.00 O ATOM 892 ND2 ASN A 58 -4.903 -1.035 -2.046 1.00 0.00 N ATOM 0 H ASN A 58 -2.149 -1.312 1.046 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.310 -2.675 -1.367 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.542 0.076 -0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.629 -0.502 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -5.730 -0.927 -2.633 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.961 -1.563 -1.175 1.00 0.00 H new ATOM 899 N ASN A 59 -0.921 -3.123 -2.420 1.00 0.00 N ATOM 900 CA ASN A 59 0.377 -3.778 -2.765 1.00 0.00 C ATOM 901 C ASN A 59 1.265 -2.775 -3.506 1.00 0.00 C ATOM 902 O ASN A 59 0.791 -2.003 -4.318 1.00 0.00 O ATOM 903 CB ASN A 59 0.120 -4.987 -3.671 1.00 0.00 C ATOM 904 CG ASN A 59 -0.929 -5.899 -3.031 1.00 0.00 C ATOM 905 OD1 ASN A 59 -2.077 -5.523 -2.897 1.00 0.00 O ATOM 906 ND2 ASN A 59 -0.582 -7.090 -2.626 1.00 0.00 N ATOM 0 H ASN A 59 -1.566 -3.004 -3.201 1.00 0.00 H new ATOM 0 HA ASN A 59 0.871 -4.108 -1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.223 -4.653 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.047 -5.538 -3.829 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.274 -7.705 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.381 -7.406 -2.738 1.00 0.00 H new ATOM 913 N PHE A 60 2.547 -2.785 -3.239 1.00 0.00 N ATOM 914 CA PHE A 60 3.472 -1.840 -3.930 1.00 0.00 C ATOM 915 C PHE A 60 4.886 -2.423 -3.934 1.00 0.00 C ATOM 916 O PHE A 60 5.291 -3.104 -3.007 1.00 0.00 O ATOM 917 CB PHE A 60 3.479 -0.499 -3.191 1.00 0.00 C ATOM 918 CG PHE A 60 2.164 0.204 -3.415 1.00 0.00 C ATOM 919 CD1 PHE A 60 1.751 0.518 -4.715 1.00 0.00 C ATOM 920 CD2 PHE A 60 1.355 0.537 -2.323 1.00 0.00 C ATOM 921 CE1 PHE A 60 0.528 1.165 -4.924 1.00 0.00 C ATOM 922 CE2 PHE A 60 0.131 1.185 -2.532 1.00 0.00 C ATOM 923 CZ PHE A 60 -0.282 1.499 -3.832 1.00 0.00 C ATOM 0 H PHE A 60 2.993 -3.411 -2.568 1.00 0.00 H new ATOM 0 HA PHE A 60 3.136 -1.689 -4.956 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.641 -0.660 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.301 0.121 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.376 0.261 -5.557 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.674 0.295 -1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.209 1.407 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.494 1.442 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.226 1.999 -3.993 1.00 0.00 H new ATOM 933 N ALA A 61 5.640 -2.158 -4.969 1.00 0.00 N ATOM 934 CA ALA A 61 7.034 -2.683 -5.043 1.00 0.00 C ATOM 935 C ALA A 61 7.959 -1.751 -4.257 1.00 0.00 C ATOM 936 O ALA A 61 7.559 -0.682 -3.836 1.00 0.00 O ATOM 937 CB ALA A 61 7.486 -2.736 -6.503 1.00 0.00 C ATOM 0 H ALA A 61 5.348 -1.598 -5.770 1.00 0.00 H new ATOM 0 HA ALA A 61 7.072 -3.686 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.505 -3.120 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.822 -3.392 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.454 -1.734 -6.930 1.00 0.00 H new ATOM 943 N GLU A 62 9.189 -2.147 -4.059 1.00 0.00 N ATOM 944 CA GLU A 62 10.145 -1.286 -3.302 1.00 0.00 C ATOM 945 C GLU A 62 10.360 0.028 -4.057 1.00 0.00 C ATOM 946 O GLU A 62 10.284 1.101 -3.486 1.00 0.00 O ATOM 947 CB GLU A 62 11.481 -2.016 -3.158 1.00 0.00 C ATOM 948 CG GLU A 62 11.353 -3.114 -2.101 1.00 0.00 C ATOM 949 CD GLU A 62 12.233 -4.304 -2.491 1.00 0.00 C ATOM 950 OE1 GLU A 62 13.445 -4.159 -2.445 1.00 0.00 O ATOM 951 OE2 GLU A 62 11.683 -5.338 -2.828 1.00 0.00 O ATOM 0 H GLU A 62 9.574 -3.032 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 62 9.738 -1.073 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.775 -2.450 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.263 -1.312 -2.873 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.653 -2.731 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.313 -3.430 -2.014 1.00 0.00 H new ATOM 958 N HIS A 63 10.629 -0.050 -5.335 1.00 0.00 N ATOM 959 CA HIS A 63 10.855 1.189 -6.139 1.00 0.00 C ATOM 960 C HIS A 63 9.550 1.987 -6.262 1.00 0.00 C ATOM 961 O HIS A 63 9.568 3.172 -6.536 1.00 0.00 O ATOM 962 CB HIS A 63 11.351 0.806 -7.537 1.00 0.00 C ATOM 963 CG HIS A 63 10.390 -0.168 -8.165 1.00 0.00 C ATOM 964 ND1 HIS A 63 10.618 -1.535 -8.163 1.00 0.00 N ATOM 965 CD2 HIS A 63 9.198 0.013 -8.819 1.00 0.00 C ATOM 966 CE1 HIS A 63 9.583 -2.119 -8.797 1.00 0.00 C ATOM 967 NE2 HIS A 63 8.689 -1.219 -9.218 1.00 0.00 N ATOM 0 H HIS A 63 10.702 -0.922 -5.859 1.00 0.00 H new ATOM 0 HA HIS A 63 11.602 1.805 -5.638 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.440 1.697 -8.159 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.344 0.362 -7.472 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.726 0.968 -8.997 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.487 -3.184 -8.947 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.821 -1.397 -9.723 1.00 0.00 H new ATOM 975 N GLU A 64 8.420 1.349 -6.068 1.00 0.00 N ATOM 976 CA GLU A 64 7.118 2.072 -6.181 1.00 0.00 C ATOM 977 C GLU A 64 6.841 2.867 -4.898 1.00 0.00 C ATOM 978 O GLU A 64 6.054 3.797 -4.898 1.00 0.00 O ATOM 979 CB GLU A 64 5.992 1.059 -6.400 1.00 0.00 C ATOM 980 CG GLU A 64 5.949 0.656 -7.875 1.00 0.00 C ATOM 981 CD GLU A 64 4.553 0.136 -8.222 1.00 0.00 C ATOM 982 OE1 GLU A 64 3.962 -0.523 -7.382 1.00 0.00 O ATOM 983 OE2 GLU A 64 4.097 0.405 -9.321 1.00 0.00 O ATOM 0 H GLU A 64 8.346 0.358 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 64 7.167 2.761 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.153 0.180 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.037 1.491 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.197 1.511 -8.504 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.695 -0.113 -8.075 1.00 0.00 H new ATOM 990 N LEU A 65 7.475 2.511 -3.805 1.00 0.00 N ATOM 991 CA LEU A 65 7.242 3.248 -2.528 1.00 0.00 C ATOM 992 C LEU A 65 8.365 4.260 -2.306 1.00 0.00 C ATOM 993 O LEU A 65 9.505 4.025 -2.660 1.00 0.00 O ATOM 994 CB LEU A 65 7.222 2.259 -1.360 1.00 0.00 C ATOM 995 CG LEU A 65 6.168 1.182 -1.612 1.00 0.00 C ATOM 996 CD1 LEU A 65 6.587 -0.109 -0.908 1.00 0.00 C ATOM 997 CD2 LEU A 65 4.820 1.652 -1.059 1.00 0.00 C ATOM 0 H LEU A 65 8.143 1.742 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 65 6.286 3.768 -2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.204 1.800 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.003 2.784 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 65 6.077 1.000 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.837 -0.880 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.549 -0.441 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.674 0.073 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.066 0.885 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.909 1.831 0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.524 2.575 -1.558 1.00 0.00 H new ATOM 1009 N GLU A 66 8.049 5.381 -1.711 1.00 0.00 N ATOM 1010 CA GLU A 66 9.089 6.417 -1.446 1.00 0.00 C ATOM 1011 C GLU A 66 9.163 6.674 0.059 1.00 0.00 C ATOM 1012 O GLU A 66 8.513 7.561 0.577 1.00 0.00 O ATOM 1013 CB GLU A 66 8.718 7.713 -2.169 1.00 0.00 C ATOM 1014 CG GLU A 66 9.854 8.727 -2.019 1.00 0.00 C ATOM 1015 CD GLU A 66 9.401 10.085 -2.556 1.00 0.00 C ATOM 1016 OE1 GLU A 66 9.256 10.205 -3.761 1.00 0.00 O ATOM 1017 OE2 GLU A 66 9.209 10.983 -1.752 1.00 0.00 O ATOM 0 H GLU A 66 7.110 5.624 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 66 10.056 6.069 -1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.533 7.513 -3.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.796 8.121 -1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.140 8.816 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.735 8.385 -2.562 1.00 0.00 H new ATOM 1024 N VAL A 67 9.949 5.899 0.769 1.00 0.00 N ATOM 1025 CA VAL A 67 10.071 6.077 2.253 1.00 0.00 C ATOM 1026 C VAL A 67 10.371 7.543 2.592 1.00 0.00 C ATOM 1027 O VAL A 67 11.418 8.066 2.256 1.00 0.00 O ATOM 1028 CB VAL A 67 11.205 5.194 2.779 1.00 0.00 C ATOM 1029 CG1 VAL A 67 11.223 5.240 4.308 1.00 0.00 C ATOM 1030 CG2 VAL A 67 10.984 3.751 2.318 1.00 0.00 C ATOM 0 H VAL A 67 10.516 5.145 0.381 1.00 0.00 H new ATOM 0 HA VAL A 67 9.129 5.791 2.721 1.00 0.00 H new ATOM 0 HB VAL A 67 12.156 5.560 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.031 4.611 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.380 6.267 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.271 4.875 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.791 3.122 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.032 3.387 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.971 3.715 1.229 1.00 0.00 H new ATOM 1040 N VAL A 68 9.456 8.205 3.253 1.00 0.00 N ATOM 1041 CA VAL A 68 9.672 9.637 3.616 1.00 0.00 C ATOM 1042 C VAL A 68 9.949 9.749 5.117 1.00 0.00 C ATOM 1043 O VAL A 68 10.648 10.639 5.562 1.00 0.00 O ATOM 1044 CB VAL A 68 8.423 10.449 3.262 1.00 0.00 C ATOM 1045 CG1 VAL A 68 8.228 10.453 1.744 1.00 0.00 C ATOM 1046 CG2 VAL A 68 7.198 9.820 3.930 1.00 0.00 C ATOM 0 H VAL A 68 8.565 7.813 3.558 1.00 0.00 H new ATOM 0 HA VAL A 68 10.526 10.027 3.061 1.00 0.00 H new ATOM 0 HB VAL A 68 8.545 11.473 3.616 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.339 11.031 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.099 10.901 1.266 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.107 9.429 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.309 10.398 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.077 8.796 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.334 9.817 5.011 1.00 0.00 H new ATOM 1056 N GLY A 69 9.406 8.850 5.899 1.00 0.00 N ATOM 1057 CA GLY A 69 9.632 8.896 7.374 1.00 0.00 C ATOM 1058 C GLY A 69 8.658 9.890 8.010 1.00 0.00 C ATOM 1059 O GLY A 69 8.519 9.859 9.222 1.00 0.00 O ATOM 1060 OXT GLY A 69 8.069 10.664 7.275 1.00 0.00 O ATOM 0 H GLY A 69 8.814 8.084 5.577 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.490 7.905 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.660 9.191 7.586 1.00 0.00 H new TER 1064 GLY A 69