USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 422 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 41 ASN : amide:sc= 0 X(o=0,f=0.068) USER MOD Set 1.2: A 57 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -20:sc= -0.921 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -0.0112 (180deg=-0.174) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -71:sc= 1.05 USER MOD Single : A 36 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 37 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.52) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0646) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 51 SER OG : rot 30:sc= 0.991 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.699 2.585 8.276 1.00 0.00 N ATOM 60 CA GLY A 7 8.880 3.720 7.895 1.00 0.00 C ATOM 61 C GLY A 7 7.406 3.373 7.823 1.00 0.00 C ATOM 62 O GLY A 7 6.945 2.401 8.421 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.026 4.527 8.613 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.210 4.093 6.926 1.00 0.00 H new ATOM 66 N PRO A 8 6.640 4.182 7.075 1.00 0.00 N ATOM 67 CA PRO A 8 5.198 3.976 6.910 1.00 0.00 C ATOM 68 C PRO A 8 4.881 2.741 6.074 1.00 0.00 C ATOM 69 O PRO A 8 5.344 2.612 4.940 1.00 0.00 O ATOM 70 CB PRO A 8 4.739 5.244 6.186 1.00 0.00 C ATOM 71 CG PRO A 8 5.951 5.729 5.467 1.00 0.00 C ATOM 72 CD PRO A 8 7.123 5.359 6.334 1.00 0.00 C ATOM 0 HA PRO A 8 4.698 3.809 7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.926 5.031 5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.371 5.991 6.890 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.032 5.267 4.483 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.907 6.807 5.310 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.005 5.125 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.398 6.172 7.006 1.00 0.00 H new ATOM 80 N CYS A 9 4.090 1.836 6.640 1.00 0.00 N ATOM 81 CA CYS A 9 3.711 0.610 5.946 1.00 0.00 C ATOM 82 C CYS A 9 2.254 0.256 6.224 1.00 0.00 C ATOM 83 O CYS A 9 1.653 0.758 7.174 1.00 0.00 O ATOM 84 CB CYS A 9 4.620 -0.543 6.372 1.00 0.00 C ATOM 85 SG CYS A 9 4.438 -1.024 8.106 1.00 0.00 S ATOM 0 H CYS A 9 3.699 1.928 7.577 1.00 0.00 H new ATOM 0 HA CYS A 9 3.827 0.777 4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.411 -1.408 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.657 -0.260 6.191 1.00 0.00 H new ATOM 0 HG CYS A 9 5.246 -2.008 8.371 1.00 0.00 H new ATOM 91 N CYS A 10 1.692 -0.609 5.388 1.00 0.00 N ATOM 92 CA CYS A 10 0.303 -1.029 5.542 1.00 0.00 C ATOM 93 C CYS A 10 0.177 -2.545 5.425 1.00 0.00 C ATOM 94 O CYS A 10 0.984 -3.195 4.761 1.00 0.00 O ATOM 95 CB CYS A 10 -0.576 -0.350 4.492 1.00 0.00 C ATOM 96 SG CYS A 10 0.108 -0.389 2.818 1.00 0.00 S ATOM 0 H CYS A 10 2.176 -1.033 4.597 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.033 -0.730 6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.553 -0.833 4.485 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.735 0.688 4.784 1.00 0.00 H new ATOM 0 HG CYS A 10 1.389 -0.599 2.878 1.00 0.00 H new ATOM 102 N ARG A 11 -0.839 -3.101 6.076 1.00 0.00 N ATOM 103 CA ARG A 11 -1.069 -4.540 6.047 1.00 0.00 C ATOM 104 C ARG A 11 -2.098 -4.905 4.981 1.00 0.00 C ATOM 105 O ARG A 11 -2.877 -4.060 4.540 1.00 0.00 O ATOM 106 CB ARG A 11 -1.542 -5.030 7.417 1.00 0.00 C ATOM 107 CG ARG A 11 -1.705 -6.539 7.501 1.00 0.00 C ATOM 108 CD ARG A 11 -1.927 -6.996 8.935 1.00 0.00 C ATOM 109 NE ARG A 11 -2.621 -8.279 8.998 1.00 0.00 N ATOM 110 CZ ARG A 11 -3.911 -8.431 8.722 1.00 0.00 C ATOM 111 NH1 ARG A 11 -4.644 -7.386 8.363 1.00 0.00 N ATOM 112 NH2 ARG A 11 -4.471 -9.632 8.802 1.00 0.00 N ATOM 0 H ARG A 11 -1.516 -2.577 6.630 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.126 -5.028 5.800 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.828 -4.707 8.175 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.495 -4.556 7.654 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.548 -6.850 6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.817 -7.025 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.966 -7.078 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.506 -6.244 9.470 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.086 -9.104 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.217 -6.462 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.635 -7.506 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.910 -10.439 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.462 -9.748 8.590 1.00 0.00 H new ATOM 126 N ALA A 12 -2.095 -6.169 4.571 1.00 0.00 N ATOM 127 CA ALA A 12 -3.029 -6.647 3.559 1.00 0.00 C ATOM 128 C ALA A 12 -4.171 -7.433 4.193 1.00 0.00 C ATOM 129 O ALA A 12 -3.951 -8.467 4.825 1.00 0.00 O ATOM 130 CB ALA A 12 -2.302 -7.503 2.532 1.00 0.00 C ATOM 0 H ALA A 12 -1.456 -6.881 4.924 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.456 -5.780 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.012 -7.853 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.526 -6.910 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.847 -8.360 3.029 1.00 0.00 H new ATOM 136 N LEU A 13 -5.392 -6.937 4.021 1.00 0.00 N ATOM 137 CA LEU A 13 -6.570 -7.594 4.577 1.00 0.00 C ATOM 138 C LEU A 13 -7.120 -8.636 3.609 1.00 0.00 C ATOM 139 O LEU A 13 -7.848 -9.546 4.008 1.00 0.00 O ATOM 140 CB LEU A 13 -7.650 -6.559 4.899 1.00 0.00 C ATOM 141 CG LEU A 13 -7.240 -5.435 5.850 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.017 -4.164 5.541 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.456 -5.855 7.297 1.00 0.00 C ATOM 0 H LEU A 13 -5.592 -6.082 3.501 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.274 -8.100 5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.987 -6.112 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.506 -7.078 5.330 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.179 -5.232 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.712 -3.375 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.812 -3.852 4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.084 -4.353 5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.159 -5.042 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.509 -6.086 7.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.855 -6.738 7.513 1.00 0.00 H new ATOM 155 N TYR A 14 -6.767 -8.498 2.336 1.00 0.00 N ATOM 156 CA TYR A 14 -7.225 -9.428 1.310 1.00 0.00 C ATOM 157 C TYR A 14 -6.170 -9.604 0.223 1.00 0.00 C ATOM 158 O TYR A 14 -5.096 -9.004 0.281 1.00 0.00 O ATOM 159 CB TYR A 14 -8.533 -8.933 0.691 1.00 0.00 C ATOM 160 CG TYR A 14 -9.704 -8.959 1.648 1.00 0.00 C ATOM 161 CD1 TYR A 14 -9.982 -7.871 2.466 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.531 -10.071 1.734 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.050 -7.890 3.342 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.603 -10.099 2.606 1.00 0.00 C ATOM 165 CZ TYR A 14 -11.858 -9.007 3.408 1.00 0.00 C ATOM 166 OH TYR A 14 -12.923 -9.031 4.279 1.00 0.00 O ATOM 0 H TYR A 14 -6.165 -7.751 1.990 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.397 -10.395 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.392 -7.914 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.770 -9.548 -0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.352 -6.995 2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.333 -10.929 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.252 -7.036 3.971 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.237 -10.971 2.659 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.390 -9.889 4.201 1.00 0.00 H new ATOM 176 N ASP A 15 -6.483 -10.432 -0.767 1.00 0.00 N ATOM 177 CA ASP A 15 -5.563 -10.687 -1.870 1.00 0.00 C ATOM 178 C ASP A 15 -5.994 -9.932 -3.123 1.00 0.00 C ATOM 179 O ASP A 15 -6.947 -10.320 -3.798 1.00 0.00 O ATOM 180 CB ASP A 15 -5.489 -12.187 -2.164 1.00 0.00 C ATOM 181 CG ASP A 15 -6.860 -12.816 -2.311 1.00 0.00 C ATOM 182 OD1 ASP A 15 -7.460 -13.181 -1.278 1.00 0.00 O ATOM 183 OD2 ASP A 15 -7.334 -12.943 -3.459 1.00 0.00 O ATOM 0 H ASP A 15 -7.366 -10.938 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.575 -10.333 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.919 -12.347 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.948 -12.686 -1.360 1.00 0.00 H new ATOM 188 N PHE A 16 -5.286 -8.849 -3.428 1.00 0.00 N ATOM 189 CA PHE A 16 -5.596 -8.037 -4.599 1.00 0.00 C ATOM 190 C PHE A 16 -4.685 -8.398 -5.768 1.00 0.00 C ATOM 191 O PHE A 16 -3.469 -8.507 -5.610 1.00 0.00 O ATOM 192 CB PHE A 16 -5.454 -6.550 -4.267 1.00 0.00 C ATOM 193 CG PHE A 16 -5.546 -5.656 -5.470 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.759 -5.452 -6.106 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.419 -5.019 -5.964 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.847 -4.630 -7.214 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.500 -4.195 -7.071 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.716 -4.000 -7.696 1.00 0.00 C ATOM 0 H PHE A 16 -4.494 -8.514 -2.880 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.627 -8.241 -4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.230 -6.269 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.496 -6.386 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.647 -5.941 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.466 -5.168 -5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.799 -4.481 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.614 -3.705 -7.446 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.783 -3.356 -8.560 1.00 0.00 H new ATOM 208 N GLU A 17 -5.282 -8.583 -6.941 1.00 0.00 N ATOM 209 CA GLU A 17 -4.525 -8.934 -8.136 1.00 0.00 C ATOM 210 C GLU A 17 -4.571 -7.804 -9.161 1.00 0.00 C ATOM 211 O GLU A 17 -5.624 -7.232 -9.444 1.00 0.00 O ATOM 212 CB GLU A 17 -5.073 -10.221 -8.755 1.00 0.00 C ATOM 213 CG GLU A 17 -4.980 -11.426 -7.835 1.00 0.00 C ATOM 214 CD GLU A 17 -6.101 -11.469 -6.815 1.00 0.00 C ATOM 215 OE1 GLU A 17 -7.244 -11.115 -7.175 1.00 0.00 O ATOM 216 OE2 GLU A 17 -5.837 -11.855 -5.657 1.00 0.00 O ATOM 0 H GLU A 17 -6.287 -8.496 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.487 -9.094 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.116 -10.066 -9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.527 -10.433 -9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.002 -12.337 -8.433 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.022 -11.409 -7.316 1.00 0.00 H new ATOM 223 N PRO A 18 -3.403 -7.473 -9.731 1.00 0.00 N ATOM 224 CA PRO A 18 -3.284 -6.409 -10.732 1.00 0.00 C ATOM 225 C PRO A 18 -3.935 -6.786 -12.058 1.00 0.00 C ATOM 226 O PRO A 18 -3.508 -7.728 -12.724 1.00 0.00 O ATOM 227 CB PRO A 18 -1.771 -6.254 -10.905 1.00 0.00 C ATOM 228 CG PRO A 18 -1.207 -7.577 -10.519 1.00 0.00 C ATOM 229 CD PRO A 18 -2.109 -8.113 -9.441 1.00 0.00 C ATOM 0 HA PRO A 18 -3.787 -5.495 -10.418 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.514 -5.999 -11.933 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.380 -5.457 -10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.176 -8.253 -11.374 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.184 -7.475 -10.157 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.180 -9.200 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.746 -7.853 -8.447 1.00 0.00 H new ATOM 288 N GLU A 23 0.305 -1.368 -11.487 1.00 0.00 N ATOM 289 CA GLU A 23 -0.444 -1.834 -10.326 1.00 0.00 C ATOM 290 C GLU A 23 0.384 -2.817 -9.503 1.00 0.00 C ATOM 291 O GLU A 23 0.917 -3.793 -10.032 1.00 0.00 O ATOM 292 CB GLU A 23 -1.751 -2.496 -10.767 1.00 0.00 C ATOM 293 CG GLU A 23 -2.914 -1.526 -10.887 1.00 0.00 C ATOM 294 CD GLU A 23 -4.250 -2.230 -11.024 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.358 -3.390 -10.571 1.00 0.00 O ATOM 296 OE2 GLU A 23 -5.187 -1.624 -11.583 1.00 0.00 O ATOM 0 HA GLU A 23 -0.675 -0.969 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.595 -2.984 -11.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.012 -3.277 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.936 -0.881 -10.009 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.757 -0.882 -11.752 1.00 0.00 H new ATOM 303 N LEU A 24 0.489 -2.551 -8.206 1.00 0.00 N ATOM 304 CA LEU A 24 1.252 -3.411 -7.308 1.00 0.00 C ATOM 305 C LEU A 24 0.329 -4.346 -6.534 1.00 0.00 C ATOM 306 O LEU A 24 -0.379 -3.922 -5.621 1.00 0.00 O ATOM 307 CB LEU A 24 2.072 -2.564 -6.333 1.00 0.00 C ATOM 308 CG LEU A 24 2.948 -3.335 -5.345 1.00 0.00 C ATOM 309 CD1 LEU A 24 4.296 -3.661 -5.969 1.00 0.00 C ATOM 310 CD2 LEU A 24 3.130 -2.541 -4.061 1.00 0.00 C ATOM 0 H LEU A 24 0.056 -1.747 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 24 1.928 -4.016 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.712 -1.898 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.387 -1.934 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 24 2.448 -4.272 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.906 -4.210 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.147 -4.271 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.803 -2.736 -6.244 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.756 -3.105 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.607 -1.588 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.157 -2.360 -3.604 1.00 0.00 H new ATOM 322 N GLY A 25 0.342 -5.623 -6.904 1.00 0.00 N ATOM 323 CA GLY A 25 -0.496 -6.599 -6.233 1.00 0.00 C ATOM 324 C GLY A 25 0.082 -7.045 -4.905 1.00 0.00 C ATOM 325 O GLY A 25 1.294 -7.224 -4.776 1.00 0.00 O ATOM 0 H GLY A 25 0.918 -5.999 -7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.486 -6.172 -6.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.626 -7.467 -6.879 1.00 0.00 H new ATOM 329 N PHE A 26 -0.785 -7.224 -3.914 1.00 0.00 N ATOM 330 CA PHE A 26 -0.353 -7.649 -2.588 1.00 0.00 C ATOM 331 C PHE A 26 -1.086 -8.916 -2.157 1.00 0.00 C ATOM 332 O PHE A 26 -1.995 -9.385 -2.842 1.00 0.00 O ATOM 333 CB PHE A 26 -0.595 -6.534 -1.568 1.00 0.00 C ATOM 334 CG PHE A 26 -1.984 -5.966 -1.619 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.086 -6.772 -1.379 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.189 -4.627 -1.908 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.366 -6.252 -1.425 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.466 -4.101 -1.955 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.556 -4.915 -1.714 1.00 0.00 C ATOM 0 H PHE A 26 -1.791 -7.081 -4.004 1.00 0.00 H new ATOM 0 HA PHE A 26 0.714 -7.866 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.406 -6.921 -0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.123 -5.732 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.943 -7.818 -1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.341 -3.986 -2.099 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.216 -6.890 -1.235 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.612 -3.055 -2.180 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.555 -4.506 -1.752 1.00 0.00 H new ATOM 349 N LYS A 27 -0.684 -9.466 -1.016 1.00 0.00 N ATOM 350 CA LYS A 27 -1.302 -10.678 -0.492 1.00 0.00 C ATOM 351 C LYS A 27 -1.653 -10.515 0.984 1.00 0.00 C ATOM 352 O LYS A 27 -0.933 -9.856 1.733 1.00 0.00 O ATOM 353 CB LYS A 27 -0.363 -11.874 -0.674 1.00 0.00 C ATOM 354 CG LYS A 27 -1.090 -13.195 -0.854 1.00 0.00 C ATOM 355 CD LYS A 27 -0.206 -14.229 -1.532 1.00 0.00 C ATOM 356 CE LYS A 27 0.865 -14.753 -0.587 1.00 0.00 C ATOM 357 NZ LYS A 27 0.286 -15.601 0.492 1.00 0.00 N ATOM 0 H LYS A 27 0.067 -9.091 -0.437 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.222 -10.857 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.273 -11.697 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.294 -11.945 0.193 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.411 -13.570 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.990 -13.038 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.819 -15.058 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.266 -13.787 -2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.596 -15.332 -1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.399 -13.913 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.046 -16.139 0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.187 -14.996 1.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.405 -16.261 0.082 1.00 0.00 H new ATOM 371 N GLU A 28 -2.763 -11.121 1.393 1.00 0.00 N ATOM 372 CA GLU A 28 -3.209 -11.042 2.780 1.00 0.00 C ATOM 373 C GLU A 28 -2.040 -11.250 3.739 1.00 0.00 C ATOM 374 O GLU A 28 -1.323 -12.246 3.654 1.00 0.00 O ATOM 375 CB GLU A 28 -4.296 -12.083 3.049 1.00 0.00 C ATOM 376 CG GLU A 28 -4.935 -11.956 4.422 1.00 0.00 C ATOM 377 CD GLU A 28 -5.965 -13.035 4.689 1.00 0.00 C ATOM 378 OE1 GLU A 28 -5.562 -14.183 4.972 1.00 0.00 O ATOM 379 OE2 GLU A 28 -7.175 -12.733 4.616 1.00 0.00 O ATOM 0 H GLU A 28 -3.370 -11.671 0.785 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.621 -10.047 2.947 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.071 -11.992 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.866 -13.079 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.159 -12.004 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.408 -10.978 4.509 1.00 0.00 H new ATOM 386 N GLY A 29 -1.856 -10.302 4.653 1.00 0.00 N ATOM 387 CA GLY A 29 -0.773 -10.399 5.615 1.00 0.00 C ATOM 388 C GLY A 29 0.475 -9.670 5.158 1.00 0.00 C ATOM 389 O GLY A 29 1.142 -9.009 5.955 1.00 0.00 O ATOM 0 H GLY A 29 -2.437 -9.469 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.101 -9.988 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.535 -11.449 5.785 1.00 0.00 H new ATOM 393 N ASP A 30 0.793 -9.792 3.874 1.00 0.00 N ATOM 394 CA ASP A 30 1.970 -9.140 3.313 1.00 0.00 C ATOM 395 C ASP A 30 1.916 -7.632 3.539 1.00 0.00 C ATOM 396 O ASP A 30 0.921 -6.982 3.218 1.00 0.00 O ATOM 397 CB ASP A 30 2.082 -9.440 1.818 1.00 0.00 C ATOM 398 CG ASP A 30 1.977 -10.922 1.515 1.00 0.00 C ATOM 399 OD1 ASP A 30 1.354 -11.649 2.318 1.00 0.00 O ATOM 400 OD2 ASP A 30 2.516 -11.354 0.475 1.00 0.00 O ATOM 0 H ASP A 30 0.252 -10.336 3.202 1.00 0.00 H new ATOM 0 HA ASP A 30 2.850 -9.534 3.822 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.296 -8.906 1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.034 -9.062 1.445 1.00 0.00 H new ATOM 405 N ILE A 31 2.991 -7.083 4.094 1.00 0.00 N ATOM 406 CA ILE A 31 3.065 -5.652 4.363 1.00 0.00 C ATOM 407 C ILE A 31 3.565 -4.889 3.141 1.00 0.00 C ATOM 408 O ILE A 31 4.625 -5.196 2.596 1.00 0.00 O ATOM 409 CB ILE A 31 3.990 -5.351 5.557 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.648 -6.261 6.738 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.878 -3.888 5.958 1.00 0.00 C ATOM 412 CD1 ILE A 31 2.214 -6.133 7.204 1.00 0.00 C ATOM 0 H ILE A 31 3.823 -7.607 4.366 1.00 0.00 H new ATOM 0 HA ILE A 31 2.054 -5.323 4.605 1.00 0.00 H new ATOM 0 HB ILE A 31 5.020 -5.548 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.839 -7.296 6.456 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.314 -6.029 7.569 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.538 -3.691 6.803 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.167 -3.257 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.849 -3.666 6.241 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.043 -6.807 8.043 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.024 -5.107 7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.541 -6.393 6.387 1.00 0.00 H new ATOM 424 N ILE A 32 2.796 -3.891 2.719 1.00 0.00 N ATOM 425 CA ILE A 32 3.163 -3.081 1.564 1.00 0.00 C ATOM 426 C ILE A 32 3.799 -1.764 1.995 1.00 0.00 C ATOM 427 O ILE A 32 3.155 -0.929 2.631 1.00 0.00 O ATOM 428 CB ILE A 32 1.941 -2.781 0.675 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.227 -4.081 0.297 1.00 0.00 C ATOM 430 CG2 ILE A 32 2.367 -2.022 -0.572 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.227 -4.544 1.333 1.00 0.00 C ATOM 0 H ILE A 32 1.916 -3.624 3.159 1.00 0.00 H new ATOM 0 HA ILE A 32 3.886 -3.660 0.990 1.00 0.00 H new ATOM 0 HB ILE A 32 1.246 -2.157 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.714 -3.941 -0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.970 -4.864 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.493 -1.817 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.835 -1.081 -0.283 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.079 -2.623 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.241 -5.470 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.738 -4.716 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.538 -3.779 1.467 1.00 0.00 H new ATOM 443 N THR A 33 5.069 -1.583 1.643 1.00 0.00 N ATOM 444 CA THR A 33 5.793 -0.367 1.993 1.00 0.00 C ATOM 445 C THR A 33 5.106 0.866 1.419 1.00 0.00 C ATOM 446 O THR A 33 4.273 0.763 0.518 1.00 0.00 O ATOM 447 CB THR A 33 7.246 -0.414 1.486 1.00 0.00 C ATOM 448 OG1 THR A 33 7.905 -1.580 1.994 1.00 0.00 O ATOM 449 CG2 THR A 33 8.009 0.831 1.913 1.00 0.00 C ATOM 0 H THR A 33 5.617 -2.263 1.116 1.00 0.00 H new ATOM 0 HA THR A 33 5.797 -0.303 3.081 1.00 0.00 H new ATOM 0 HB THR A 33 7.226 -0.453 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.828 -1.603 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.033 0.775 1.543 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.522 1.715 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.019 0.896 3.001 1.00 0.00 H new ATOM 457 N LEU A 34 5.460 2.033 1.945 1.00 0.00 N ATOM 458 CA LEU A 34 4.877 3.289 1.484 1.00 0.00 C ATOM 459 C LEU A 34 5.965 4.308 1.160 1.00 0.00 C ATOM 460 O LEU A 34 6.849 4.569 1.977 1.00 0.00 O ATOM 461 CB LEU A 34 3.931 3.855 2.545 1.00 0.00 C ATOM 462 CG LEU A 34 2.720 2.990 2.895 1.00 0.00 C ATOM 463 CD1 LEU A 34 1.987 3.560 4.099 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.783 2.877 1.702 1.00 0.00 C ATOM 0 H LEU A 34 6.148 2.136 2.691 1.00 0.00 H new ATOM 0 HA LEU A 34 4.312 3.087 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.503 4.030 3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.572 4.826 2.202 1.00 0.00 H new ATOM 0 HG LEU A 34 3.073 1.991 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.128 2.931 4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.661 3.588 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.646 4.570 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.927 2.258 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.437 3.870 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.313 2.422 0.865 1.00 0.00 H new ATOM 476 N THR A 35 5.894 4.882 -0.036 1.00 0.00 N ATOM 477 CA THR A 35 6.872 5.873 -0.468 1.00 0.00 C ATOM 478 C THR A 35 6.188 7.150 -0.943 1.00 0.00 C ATOM 479 O THR A 35 6.594 8.253 -0.583 1.00 0.00 O ATOM 480 CB THR A 35 7.761 5.328 -1.602 1.00 0.00 C ATOM 481 OG1 THR A 35 6.977 5.120 -2.782 1.00 0.00 O ATOM 482 CG2 THR A 35 8.423 4.022 -1.189 1.00 0.00 C ATOM 0 H THR A 35 5.169 4.678 -0.724 1.00 0.00 H new ATOM 0 HA THR A 35 7.496 6.098 0.397 1.00 0.00 H new ATOM 0 HB THR A 35 8.540 6.062 -1.809 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.378 4.356 -2.647 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.046 3.656 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.042 4.191 -0.308 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.656 3.283 -0.958 1.00 0.00 H new ATOM 490 N ASN A 36 5.146 6.991 -1.754 1.00 0.00 N ATOM 491 CA ASN A 36 4.405 8.132 -2.278 1.00 0.00 C ATOM 492 C ASN A 36 2.971 7.739 -2.619 1.00 0.00 C ATOM 493 O ASN A 36 2.629 6.557 -2.639 1.00 0.00 O ATOM 494 CB ASN A 36 5.101 8.692 -3.520 1.00 0.00 C ATOM 495 CG ASN A 36 6.135 9.748 -3.177 1.00 0.00 C ATOM 496 OD1 ASN A 36 5.978 10.495 -2.211 1.00 0.00 O ATOM 497 ND2 ASN A 36 7.198 9.814 -3.970 1.00 0.00 N ATOM 0 H ASN A 36 4.797 6.084 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 36 4.379 8.902 -1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.583 7.878 -4.061 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.355 9.122 -4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.927 10.505 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.286 9.174 -4.759 1.00 0.00 H new ATOM 504 N GLN A 37 2.137 8.739 -2.888 1.00 0.00 N ATOM 505 CA GLN A 37 0.740 8.497 -3.228 1.00 0.00 C ATOM 506 C GLN A 37 0.363 9.214 -4.520 1.00 0.00 C ATOM 507 O GLN A 37 0.589 10.416 -4.664 1.00 0.00 O ATOM 508 CB GLN A 37 -0.172 8.959 -2.090 1.00 0.00 C ATOM 509 CG GLN A 37 -1.646 8.979 -2.461 1.00 0.00 C ATOM 510 CD GLN A 37 -2.552 9.019 -1.246 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.252 9.685 -0.255 1.00 0.00 O ATOM 512 NE2 GLN A 37 -3.670 8.305 -1.318 1.00 0.00 N ATOM 0 H GLN A 37 2.404 9.723 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 37 0.609 7.425 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.031 8.301 -1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.129 9.959 -1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.847 9.847 -3.089 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.880 8.095 -3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.879 7.768 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.320 8.294 -0.532 1.00 0.00 H new ATOM 521 N ILE A 38 -0.213 8.469 -5.458 1.00 0.00 N ATOM 522 CA ILE A 38 -0.622 9.034 -6.738 1.00 0.00 C ATOM 523 C ILE A 38 -2.098 9.417 -6.723 1.00 0.00 C ATOM 524 O ILE A 38 -2.474 10.497 -7.177 1.00 0.00 O ATOM 525 CB ILE A 38 -0.370 8.049 -7.894 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.132 7.852 -8.108 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.032 8.549 -9.170 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.717 6.724 -7.288 1.00 0.00 C ATOM 0 H ILE A 38 -0.407 7.473 -5.355 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.019 9.928 -6.896 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.809 7.086 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.318 7.657 -9.164 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.651 8.778 -7.859 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.845 7.842 -9.978 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.106 8.642 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.620 9.522 -9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.785 6.643 -7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.563 6.927 -6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.225 5.788 -7.553 1.00 0.00 H new ATOM 540 N ASP A 39 -2.930 8.524 -6.197 1.00 0.00 N ATOM 541 CA ASP A 39 -4.365 8.769 -6.119 1.00 0.00 C ATOM 542 C ASP A 39 -4.783 9.108 -4.692 1.00 0.00 C ATOM 543 O ASP A 39 -3.946 9.190 -3.794 1.00 0.00 O ATOM 544 CB ASP A 39 -5.140 7.547 -6.614 1.00 0.00 C ATOM 545 CG ASP A 39 -4.528 6.940 -7.861 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.267 7.694 -8.822 1.00 0.00 O ATOM 547 OD2 ASP A 39 -4.310 5.710 -7.876 1.00 0.00 O ATOM 0 H ASP A 39 -2.635 7.624 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.598 9.621 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.171 6.796 -5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.171 7.834 -6.821 1.00 0.00 H new ATOM 552 N GLU A 40 -6.082 9.306 -4.492 1.00 0.00 N ATOM 553 CA GLU A 40 -6.609 9.638 -3.173 1.00 0.00 C ATOM 554 C GLU A 40 -6.964 8.374 -2.395 1.00 0.00 C ATOM 555 O GLU A 40 -7.195 8.421 -1.188 1.00 0.00 O ATOM 556 CB GLU A 40 -7.844 10.533 -3.304 1.00 0.00 C ATOM 557 CG GLU A 40 -7.516 12.015 -3.372 1.00 0.00 C ATOM 558 CD GLU A 40 -7.181 12.601 -2.014 1.00 0.00 C ATOM 559 OE1 GLU A 40 -8.121 12.924 -1.258 1.00 0.00 O ATOM 560 OE2 GLU A 40 -5.978 12.737 -1.708 1.00 0.00 O ATOM 0 H GLU A 40 -6.788 9.242 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.835 10.176 -2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.394 10.250 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.504 10.354 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.673 12.166 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.364 12.552 -3.796 1.00 0.00 H new ATOM 567 N ASN A 41 -7.005 7.246 -3.097 1.00 0.00 N ATOM 568 CA ASN A 41 -7.332 5.969 -2.472 1.00 0.00 C ATOM 569 C ASN A 41 -6.290 4.911 -2.820 1.00 0.00 C ATOM 570 O ASN A 41 -6.494 3.721 -2.579 1.00 0.00 O ATOM 571 CB ASN A 41 -8.719 5.501 -2.918 1.00 0.00 C ATOM 572 CG ASN A 41 -9.820 6.004 -2.005 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.149 5.369 -1.003 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.396 7.150 -2.349 1.00 0.00 N ATOM 0 H ASN A 41 -6.816 7.190 -4.098 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.333 6.111 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.907 5.847 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.741 4.412 -2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.144 7.538 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.091 7.642 -3.189 1.00 0.00 H new ATOM 581 N TRP A 42 -5.172 5.353 -3.385 1.00 0.00 N ATOM 582 CA TRP A 42 -4.097 4.443 -3.765 1.00 0.00 C ATOM 583 C TRP A 42 -2.766 4.899 -3.177 1.00 0.00 C ATOM 584 O TRP A 42 -2.628 6.042 -2.740 1.00 0.00 O ATOM 585 CB TRP A 42 -3.991 4.354 -5.288 1.00 0.00 C ATOM 586 CG TRP A 42 -5.237 3.835 -5.941 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.440 4.475 -6.034 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.402 2.569 -6.589 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.343 3.682 -6.701 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.730 2.509 -7.053 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.556 1.482 -6.824 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.230 1.403 -7.736 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -5.053 0.386 -7.502 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.380 0.353 -7.952 1.00 0.00 C ATOM 0 H TRP A 42 -4.986 6.335 -3.590 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.331 3.456 -3.366 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.765 5.342 -5.688 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.155 3.705 -5.550 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.651 5.459 -5.641 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.313 3.927 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.532 1.499 -6.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.252 1.375 -8.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.408 -0.460 -7.689 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.739 -0.518 -8.480 1.00 0.00 H new ATOM 605 N TYR A 43 -1.789 3.998 -3.168 1.00 0.00 N ATOM 606 CA TYR A 43 -0.469 4.307 -2.631 1.00 0.00 C ATOM 607 C TYR A 43 0.629 3.822 -3.571 1.00 0.00 C ATOM 608 O TYR A 43 0.356 3.159 -4.572 1.00 0.00 O ATOM 609 CB TYR A 43 -0.295 3.670 -1.252 1.00 0.00 C ATOM 610 CG TYR A 43 -0.913 4.473 -0.130 1.00 0.00 C ATOM 611 CD1 TYR A 43 -0.724 5.847 -0.047 1.00 0.00 C ATOM 612 CD2 TYR A 43 -1.687 3.858 0.847 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.287 6.585 0.976 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.254 4.589 1.873 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.051 5.951 1.934 1.00 0.00 C ATOM 616 OH TYR A 43 -2.614 6.683 2.954 1.00 0.00 O ATOM 0 H TYR A 43 -1.887 3.048 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.387 5.390 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.740 2.675 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.769 3.542 -1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.127 6.347 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.848 2.791 0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.130 7.652 1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.853 4.096 2.624 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.122 6.087 3.543 1.00 0.00 H new ATOM 626 N GLU A 44 1.873 4.155 -3.241 1.00 0.00 N ATOM 627 CA GLU A 44 3.013 3.754 -4.055 1.00 0.00 C ATOM 628 C GLU A 44 4.145 3.220 -3.182 1.00 0.00 C ATOM 629 O GLU A 44 4.797 3.975 -2.462 1.00 0.00 O ATOM 630 CB GLU A 44 3.513 4.934 -4.891 1.00 0.00 C ATOM 631 CG GLU A 44 4.412 4.525 -6.045 1.00 0.00 C ATOM 632 CD GLU A 44 4.980 5.716 -6.793 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.288 6.734 -6.138 1.00 0.00 O ATOM 634 OE2 GLU A 44 5.117 5.630 -8.031 1.00 0.00 O ATOM 0 H GLU A 44 2.116 4.702 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 44 2.686 2.958 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.655 5.478 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.057 5.622 -4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.231 3.916 -5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.847 3.902 -6.738 1.00 0.00 H new ATOM 641 N GLY A 45 4.371 1.911 -3.250 1.00 0.00 N ATOM 642 CA GLY A 45 5.423 1.298 -2.461 1.00 0.00 C ATOM 643 C GLY A 45 6.153 0.205 -3.217 1.00 0.00 C ATOM 644 O GLY A 45 5.898 -0.017 -4.400 1.00 0.00 O ATOM 0 H GLY A 45 3.844 1.265 -3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.137 2.063 -2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.994 0.881 -1.550 1.00 0.00 H new ATOM 648 N MET A 46 7.064 -0.478 -2.532 1.00 0.00 N ATOM 649 CA MET A 46 7.833 -1.554 -3.147 1.00 0.00 C ATOM 650 C MET A 46 7.403 -2.911 -2.599 1.00 0.00 C ATOM 651 O MET A 46 7.093 -3.044 -1.415 1.00 0.00 O ATOM 652 CB MET A 46 9.329 -1.344 -2.904 1.00 0.00 C ATOM 653 CG MET A 46 10.008 -0.509 -3.978 1.00 0.00 C ATOM 654 SD MET A 46 11.783 -0.344 -3.711 1.00 0.00 S ATOM 655 CE MET A 46 11.815 0.821 -2.352 1.00 0.00 C ATOM 0 H MET A 46 7.288 -0.306 -1.552 1.00 0.00 H new ATOM 0 HA MET A 46 7.641 -1.537 -4.220 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.467 -0.860 -1.937 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.819 -2.316 -2.847 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.832 -0.965 -4.952 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.555 0.482 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.844 1.120 -2.153 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.226 1.700 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.394 0.353 -1.462 1.00 0.00 H new ATOM 665 N LEU A 47 7.387 -3.916 -3.468 1.00 0.00 N ATOM 666 CA LEU A 47 6.994 -5.264 -3.071 1.00 0.00 C ATOM 667 C LEU A 47 7.671 -6.309 -3.952 1.00 0.00 C ATOM 668 O LEU A 47 7.318 -6.476 -5.120 1.00 0.00 O ATOM 669 CB LEU A 47 5.475 -5.419 -3.153 1.00 0.00 C ATOM 670 CG LEU A 47 4.879 -6.603 -2.390 1.00 0.00 C ATOM 671 CD1 LEU A 47 4.959 -6.366 -0.890 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.438 -6.842 -2.818 1.00 0.00 C ATOM 0 H LEU A 47 7.641 -3.823 -4.451 1.00 0.00 H new ATOM 0 HA LEU A 47 7.314 -5.421 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.016 -4.504 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.195 -5.511 -4.202 1.00 0.00 H new ATOM 0 HG LEU A 47 5.460 -7.494 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.530 -7.219 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.002 -6.245 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.403 -5.464 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.030 -7.688 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.844 -5.952 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.407 -7.057 -3.886 1.00 0.00 H new ATOM 684 N HIS A 48 8.645 -7.014 -3.383 1.00 0.00 N ATOM 685 CA HIS A 48 9.370 -8.046 -4.116 1.00 0.00 C ATOM 686 C HIS A 48 10.104 -7.449 -5.313 1.00 0.00 C ATOM 687 O HIS A 48 10.169 -8.056 -6.380 1.00 0.00 O ATOM 688 CB HIS A 48 8.409 -9.138 -4.586 1.00 0.00 C ATOM 689 CG HIS A 48 8.235 -10.249 -3.597 1.00 0.00 C ATOM 690 ND1 HIS A 48 9.203 -11.201 -3.357 1.00 0.00 N ATOM 691 CD2 HIS A 48 7.197 -10.557 -2.785 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.768 -12.047 -2.440 1.00 0.00 C ATOM 693 NE2 HIS A 48 7.554 -11.678 -2.076 1.00 0.00 N ATOM 0 H HIS A 48 8.950 -6.889 -2.418 1.00 0.00 H new ATOM 0 HA HIS A 48 10.106 -8.485 -3.443 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.437 -8.691 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.775 -9.553 -5.525 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.262 -10.021 -2.709 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.313 -12.896 -2.054 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.975 -12.149 -1.381 1.00 0.00 H new ATOM 702 N GLY A 49 10.656 -6.253 -5.126 1.00 0.00 N ATOM 703 CA GLY A 49 11.378 -5.594 -6.199 1.00 0.00 C ATOM 704 C GLY A 49 10.451 -5.004 -7.243 1.00 0.00 C ATOM 705 O GLY A 49 10.870 -4.719 -8.366 1.00 0.00 O ATOM 0 H GLY A 49 10.616 -5.730 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.001 -4.803 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.048 -6.310 -6.675 1.00 0.00 H new ATOM 709 N HIS A 50 9.187 -4.820 -6.875 1.00 0.00 N ATOM 710 CA HIS A 50 8.198 -4.261 -7.790 1.00 0.00 C ATOM 711 C HIS A 50 7.608 -2.970 -7.230 1.00 0.00 C ATOM 712 O HIS A 50 7.360 -2.860 -6.029 1.00 0.00 O ATOM 713 CB HIS A 50 7.083 -5.274 -8.050 1.00 0.00 C ATOM 714 CG HIS A 50 7.556 -6.526 -8.722 1.00 0.00 C ATOM 715 ND1 HIS A 50 7.805 -6.605 -10.076 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.827 -7.753 -8.219 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.207 -7.827 -10.377 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.229 -8.543 -9.268 1.00 0.00 N ATOM 0 H HIS A 50 8.824 -5.050 -5.950 1.00 0.00 H new ATOM 0 HA HIS A 50 8.698 -4.033 -8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.613 -5.536 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.316 -4.807 -8.668 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.743 -8.055 -7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.472 -8.180 -11.363 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.501 -9.524 -9.201 1.00 0.00 H new ATOM 727 N SER A 51 7.387 -1.996 -8.107 1.00 0.00 N ATOM 728 CA SER A 51 6.831 -0.712 -7.699 1.00 0.00 C ATOM 729 C SER A 51 5.563 -0.394 -8.485 1.00 0.00 C ATOM 730 O SER A 51 5.612 -0.137 -9.687 1.00 0.00 O ATOM 731 CB SER A 51 7.862 0.401 -7.901 1.00 0.00 C ATOM 732 OG SER A 51 8.161 0.576 -9.275 1.00 0.00 O ATOM 0 H SER A 51 7.585 -2.072 -9.105 1.00 0.00 H new ATOM 0 HA SER A 51 6.576 -0.774 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.480 1.334 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.774 0.160 -7.355 1.00 0.00 H new ATOM 0 HG SER A 51 7.380 0.332 -9.814 1.00 0.00 H new ATOM 738 N GLY A 52 4.426 -0.415 -7.796 1.00 0.00 N ATOM 739 CA GLY A 52 3.160 -0.128 -8.445 1.00 0.00 C ATOM 740 C GLY A 52 2.153 0.498 -7.500 1.00 0.00 C ATOM 741 O GLY A 52 2.444 0.711 -6.323 1.00 0.00 O ATOM 0 H GLY A 52 4.359 -0.626 -6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.331 0.544 -9.286 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.747 -1.051 -8.852 1.00 0.00 H new ATOM 745 N PHE A 53 0.966 0.796 -8.016 1.00 0.00 N ATOM 746 CA PHE A 53 -0.087 1.404 -7.211 1.00 0.00 C ATOM 747 C PHE A 53 -1.073 0.349 -6.718 1.00 0.00 C ATOM 748 O PHE A 53 -1.582 -0.454 -7.499 1.00 0.00 O ATOM 749 CB PHE A 53 -0.827 2.470 -8.022 1.00 0.00 C ATOM 750 CG PHE A 53 0.033 3.143 -9.053 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.279 3.646 -8.714 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.404 3.273 -10.362 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.072 4.266 -9.661 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.385 3.892 -11.313 1.00 0.00 C ATOM 755 CZ PHE A 53 1.625 4.388 -10.962 1.00 0.00 C ATOM 0 H PHE A 53 0.709 0.626 -8.988 1.00 0.00 H new ATOM 0 HA PHE A 53 0.378 1.874 -6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.682 2.010 -8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.222 3.224 -7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.634 3.552 -7.698 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.373 2.886 -10.642 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.041 4.655 -9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.032 3.988 -12.329 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.244 4.871 -11.704 1.00 0.00 H new ATOM 765 N PHE A 54 -1.337 0.358 -5.416 1.00 0.00 N ATOM 766 CA PHE A 54 -2.260 -0.599 -4.816 1.00 0.00 C ATOM 767 C PHE A 54 -3.405 0.120 -4.109 1.00 0.00 C ATOM 768 O PHE A 54 -3.267 1.251 -3.642 1.00 0.00 O ATOM 769 CB PHE A 54 -1.521 -1.502 -3.827 1.00 0.00 C ATOM 770 CG PHE A 54 -0.972 -0.766 -2.638 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.139 0.052 -2.766 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.566 -0.893 -1.393 1.00 0.00 C ATOM 773 CE1 PHE A 54 0.646 0.731 -1.674 1.00 0.00 C ATOM 774 CE2 PHE A 54 -1.063 -0.217 -0.298 1.00 0.00 C ATOM 775 CZ PHE A 54 0.045 0.596 -0.438 1.00 0.00 C ATOM 0 H PHE A 54 -0.925 1.017 -4.756 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.678 -1.213 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.201 -2.280 -3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.702 -2.001 -4.345 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.614 0.160 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.432 -1.528 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.512 1.367 -1.787 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.536 -0.324 0.667 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.440 1.125 0.417 1.00 0.00 H new ATOM 785 N PRO A 55 -4.563 -0.550 -4.027 1.00 0.00 N ATOM 786 CA PRO A 55 -5.755 0.004 -3.378 1.00 0.00 C ATOM 787 C PRO A 55 -5.596 0.109 -1.865 1.00 0.00 C ATOM 788 O PRO A 55 -5.009 -0.769 -1.231 1.00 0.00 O ATOM 789 CB PRO A 55 -6.853 -1.002 -3.731 1.00 0.00 C ATOM 790 CG PRO A 55 -6.129 -2.283 -3.971 1.00 0.00 C ATOM 791 CD PRO A 55 -4.799 -1.902 -4.560 1.00 0.00 C ATOM 0 HA PRO A 55 -5.965 1.020 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.575 -1.101 -2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.408 -0.689 -4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.000 -2.838 -3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.688 -2.926 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.013 -2.595 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.827 -1.905 -5.650 1.00 0.00 H new ATOM 799 N ILE A 56 -6.121 1.187 -1.293 1.00 0.00 N ATOM 800 CA ILE A 56 -6.038 1.405 0.146 1.00 0.00 C ATOM 801 C ILE A 56 -7.245 0.809 0.863 1.00 0.00 C ATOM 802 O ILE A 56 -7.184 0.504 2.053 1.00 0.00 O ATOM 803 CB ILE A 56 -5.942 2.904 0.484 1.00 0.00 C ATOM 804 CG1 ILE A 56 -4.747 3.536 -0.232 1.00 0.00 C ATOM 805 CG2 ILE A 56 -5.831 3.102 1.989 1.00 0.00 C ATOM 806 CD1 ILE A 56 -4.715 5.045 -0.139 1.00 0.00 C ATOM 0 H ILE A 56 -6.608 1.923 -1.804 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.132 0.905 0.489 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.850 3.398 0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.826 3.135 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.768 3.245 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.764 4.167 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.711 2.684 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.938 2.597 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.841 5.424 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.619 5.456 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.662 5.344 0.908 1.00 0.00 H new ATOM 818 N ASN A 57 -8.341 0.646 0.129 1.00 0.00 N ATOM 819 CA ASN A 57 -9.563 0.085 0.694 1.00 0.00 C ATOM 820 C ASN A 57 -9.434 -1.423 0.882 1.00 0.00 C ATOM 821 O ASN A 57 -10.364 -2.084 1.344 1.00 0.00 O ATOM 822 CB ASN A 57 -10.757 0.398 -0.209 1.00 0.00 C ATOM 823 CG ASN A 57 -11.390 1.738 0.112 1.00 0.00 C ATOM 824 OD1 ASN A 57 -10.694 2.735 0.306 1.00 0.00 O ATOM 825 ND2 ASN A 57 -12.716 1.768 0.170 1.00 0.00 N ATOM 0 H ASN A 57 -8.408 0.894 -0.858 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.725 0.541 1.670 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.433 0.392 -1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.505 -0.388 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.198 2.642 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.253 0.917 0.002 1.00 0.00 H new ATOM 832 N TYR A 58 -8.274 -1.961 0.520 1.00 0.00 N ATOM 833 CA TYR A 58 -8.023 -3.392 0.646 1.00 0.00 C ATOM 834 C TYR A 58 -6.881 -3.661 1.621 1.00 0.00 C ATOM 835 O TYR A 58 -6.630 -4.804 2.002 1.00 0.00 O ATOM 836 CB TYR A 58 -7.695 -3.996 -0.720 1.00 0.00 C ATOM 837 CG TYR A 58 -8.917 -4.308 -1.554 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.939 -5.105 -1.054 1.00 0.00 C ATOM 839 CD2 TYR A 58 -9.049 -3.804 -2.842 1.00 0.00 C ATOM 840 CE1 TYR A 58 -11.057 -5.393 -1.813 1.00 0.00 C ATOM 841 CE2 TYR A 58 -10.164 -4.086 -3.608 1.00 0.00 C ATOM 842 CZ TYR A 58 -11.165 -4.881 -3.089 1.00 0.00 C ATOM 843 OH TYR A 58 -12.278 -5.164 -3.847 1.00 0.00 O ATOM 0 H TYR A 58 -7.493 -1.428 0.137 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.927 -3.861 1.035 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.057 -3.304 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.121 -4.911 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.858 -5.506 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.267 -3.181 -3.251 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.842 -6.016 -1.409 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.251 -3.686 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.199 -4.726 -4.720 1.00 0.00 H new ATOM 853 N VAL A 59 -6.192 -2.597 2.023 1.00 0.00 N ATOM 854 CA VAL A 59 -5.077 -2.716 2.955 1.00 0.00 C ATOM 855 C VAL A 59 -5.285 -1.828 4.177 1.00 0.00 C ATOM 856 O VAL A 59 -5.878 -0.754 4.081 1.00 0.00 O ATOM 857 CB VAL A 59 -3.742 -2.342 2.284 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.450 -3.275 1.118 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.765 -0.892 1.825 1.00 0.00 C ATOM 0 H VAL A 59 -6.387 -1.643 1.718 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.037 -3.759 3.269 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.943 -2.455 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.503 -2.995 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.388 -4.301 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.249 -3.198 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.814 -0.645 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.574 -0.750 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.924 -0.241 2.685 1.00 0.00 H new ATOM 869 N GLU A 60 -4.794 -2.285 5.324 1.00 0.00 N ATOM 870 CA GLU A 60 -4.927 -1.531 6.566 1.00 0.00 C ATOM 871 C GLU A 60 -3.781 -0.536 6.723 1.00 0.00 C ATOM 872 O GLU A 60 -2.627 -0.851 6.435 1.00 0.00 O ATOM 873 CB GLU A 60 -4.959 -2.482 7.764 1.00 0.00 C ATOM 874 CG GLU A 60 -5.617 -1.884 8.997 1.00 0.00 C ATOM 875 CD GLU A 60 -7.128 -1.824 8.881 1.00 0.00 C ATOM 876 OE1 GLU A 60 -7.760 -2.899 8.805 1.00 0.00 O ATOM 877 OE2 GLU A 60 -7.678 -0.703 8.866 1.00 0.00 O ATOM 0 H GLU A 60 -4.301 -3.173 5.420 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.864 -0.976 6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.492 -3.390 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.939 -2.775 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.347 -2.476 9.872 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -5.229 -0.879 9.160 1.00 0.00 H new ATOM 884 N ILE A 61 -4.110 0.668 7.181 1.00 0.00 N ATOM 885 CA ILE A 61 -3.110 1.710 7.377 1.00 0.00 C ATOM 886 C ILE A 61 -2.748 1.854 8.851 1.00 0.00 C ATOM 887 O ILE A 61 -3.519 2.399 9.641 1.00 0.00 O ATOM 888 CB ILE A 61 -3.601 3.069 6.845 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.964 2.960 5.363 1.00 0.00 C ATOM 890 CG2 ILE A 61 -2.538 4.136 7.058 1.00 0.00 C ATOM 891 CD1 ILE A 61 -2.873 2.343 4.517 1.00 0.00 C ATOM 0 H ILE A 61 -5.061 0.945 7.423 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.226 1.408 6.816 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.495 3.358 7.398 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.871 2.364 5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.192 3.954 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.900 5.091 6.677 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.323 4.228 8.123 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.628 3.855 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.200 2.298 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.971 2.950 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.661 1.336 4.875 1.00 0.00 H new ATOM 903 N LEU A 62 -1.568 1.363 9.215 1.00 0.00 N ATOM 904 CA LEU A 62 -1.102 1.438 10.595 1.00 0.00 C ATOM 905 C LEU A 62 -0.331 2.731 10.840 1.00 0.00 C ATOM 906 O LEU A 62 -0.484 3.370 11.881 1.00 0.00 O ATOM 907 CB LEU A 62 -0.217 0.234 10.922 1.00 0.00 C ATOM 908 CG LEU A 62 -0.766 -1.133 10.514 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.331 -2.186 10.561 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.928 -1.531 11.412 1.00 0.00 C ATOM 0 H LEU A 62 -0.917 0.909 8.574 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.975 1.427 11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.748 0.375 10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.034 0.224 11.997 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.131 -1.064 9.489 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.079 -3.152 10.267 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.132 -1.908 9.875 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.728 -2.253 11.574 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.306 -2.507 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.588 -1.581 12.446 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.724 -0.791 11.327 1.00 0.00 H new ATOM 922 N VAL A 63 0.496 3.113 9.872 1.00 0.00 N ATOM 923 CA VAL A 63 1.289 4.332 9.980 1.00 0.00 C ATOM 924 C VAL A 63 0.903 5.336 8.899 1.00 0.00 C ATOM 925 O VAL A 63 1.144 5.109 7.713 1.00 0.00 O ATOM 926 CB VAL A 63 2.796 4.033 9.874 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.607 5.307 10.054 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.203 2.982 10.895 1.00 0.00 C ATOM 0 H VAL A 63 0.634 2.596 9.004 1.00 0.00 H new ATOM 0 HA VAL A 63 1.080 4.760 10.960 1.00 0.00 H new ATOM 0 HB VAL A 63 3.002 3.638 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.669 5.076 9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.334 6.025 9.280 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.400 5.735 11.035 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.271 2.783 10.806 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.984 3.346 11.899 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.646 2.063 10.713 1.00 0.00 H new ATOM 938 N ALA A 64 0.304 6.446 9.316 1.00 0.00 N ATOM 939 CA ALA A 64 -0.112 7.486 8.384 1.00 0.00 C ATOM 940 C ALA A 64 1.088 8.271 7.864 1.00 0.00 C ATOM 941 O ALA A 64 1.844 8.855 8.641 1.00 0.00 O ATOM 942 CB ALA A 64 -1.110 8.423 9.049 1.00 0.00 C ATOM 0 H ALA A 64 0.096 6.648 10.294 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.594 7.004 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.412 9.195 8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.986 7.857 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.647 8.889 9.919 1.00 0.00 H new ATOM 948 N LEU A 65 1.257 8.279 6.547 1.00 0.00 N ATOM 949 CA LEU A 65 2.367 8.992 5.923 1.00 0.00 C ATOM 950 C LEU A 65 2.501 10.400 6.495 1.00 0.00 C ATOM 951 O LEU A 65 1.537 10.993 6.980 1.00 0.00 O ATOM 952 CB LEU A 65 2.167 9.062 4.408 1.00 0.00 C ATOM 953 CG LEU A 65 2.243 7.732 3.659 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.490 7.818 2.340 1.00 0.00 C ATOM 955 CD2 LEU A 65 3.693 7.336 3.422 1.00 0.00 C ATOM 0 H LEU A 65 0.640 7.800 5.890 1.00 0.00 H new ATOM 0 HA LEU A 65 3.284 8.444 6.137 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.194 9.512 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.919 9.733 3.993 1.00 0.00 H new ATOM 0 HG LEU A 65 1.773 6.964 4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.555 6.862 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.444 8.055 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.931 8.598 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.728 6.387 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.188 8.105 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.203 7.232 4.380 1.00 0.00 H new ATOM 967 N PRO A 66 3.723 10.948 6.438 1.00 0.00 N ATOM 968 CA PRO A 66 4.012 12.294 6.943 1.00 0.00 C ATOM 969 C PRO A 66 3.375 13.383 6.088 1.00 0.00 C ATOM 970 O PRO A 66 3.988 13.884 5.144 1.00 0.00 O ATOM 971 CB PRO A 66 5.538 12.380 6.870 1.00 0.00 C ATOM 972 CG PRO A 66 5.922 11.415 5.802 1.00 0.00 C ATOM 973 CD PRO A 66 4.918 10.298 5.874 1.00 0.00 C ATOM 0 HA PRO A 66 3.610 12.449 7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.866 13.391 6.627 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.995 12.117 7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.907 11.891 4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.934 11.041 5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.718 9.874 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.269 9.483 6.507 1.00 0.00 H new