USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 295 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0758 K(o=-0.076,f=-1.3) USER MOD Single : A 23 TYR OH : rot 130:sc= -0.28 USER MOD Single : A 26 CYS SG : rot 60:sc= -2.69 USER MOD Single : A 28 LYS NZ :NH3+ 179:sc= 0.525! (180deg=0.518!) USER MOD Single : A 29 ASN : amide:sc= 0.47 X(o=0.47,f=-0.0077) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 39 SER OG : rot -33:sc= 0.0542 USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.077 -2.355 -8.651 1.00 0.00 N ATOM 36 CA LYS A 3 31.170 -0.918 -8.910 1.00 0.00 C ATOM 37 C LYS A 3 30.076 -0.089 -8.203 1.00 0.00 C ATOM 38 O LYS A 3 30.226 1.106 -7.988 1.00 0.00 O ATOM 39 CB LYS A 3 31.191 -0.649 -10.411 1.00 0.00 C ATOM 40 CG LYS A 3 29.970 -1.197 -11.161 1.00 0.00 C ATOM 41 CD LYS A 3 30.229 -1.265 -12.670 1.00 0.00 C ATOM 42 CE LYS A 3 30.384 0.123 -13.300 1.00 0.00 C ATOM 43 NZ LYS A 3 29.095 0.769 -13.511 1.00 0.00 N ATOM 0 HA LYS A 3 32.112 -0.584 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.253 0.427 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.093 -1.089 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.726 -2.191 -10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.106 -0.562 -10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 3 31.131 -1.848 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.406 -1.791 -13.154 1.00 0.00 H new ATOM 0 HE2 LYS A 3 31.002 0.748 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 3 30.906 0.033 -14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 29.242 1.706 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 28.514 0.186 -14.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 28.608 0.878 -12.599 1.00 0.00 H new ATOM 57 N GLU A 4 28.987 -0.806 -7.847 1.00 0.00 N ATOM 58 CA GLU A 4 27.872 -0.212 -7.117 1.00 0.00 C ATOM 59 C GLU A 4 28.278 0.166 -5.687 1.00 0.00 C ATOM 60 O GLU A 4 27.841 1.164 -5.133 1.00 0.00 O ATOM 61 CB GLU A 4 26.721 -1.237 -7.058 1.00 0.00 C ATOM 62 CG GLU A 4 25.433 -0.741 -7.737 1.00 0.00 C ATOM 63 CD GLU A 4 25.154 -1.529 -9.029 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.602 -2.625 -8.939 1.00 0.00 O ATOM 65 OE2 GLU A 4 25.493 -1.042 -10.108 1.00 0.00 O ATOM 0 H GLU A 4 28.867 -1.797 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 4 27.561 0.696 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.043 -2.163 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.507 -1.474 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 4 24.592 -0.848 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.524 0.321 -7.966 1.00 0.00 H new ATOM 72 N ALA A 5 29.148 -0.706 -5.140 1.00 0.00 N ATOM 73 CA ALA A 5 29.694 -0.421 -3.829 1.00 0.00 C ATOM 74 C ALA A 5 30.757 0.673 -3.909 1.00 0.00 C ATOM 75 O ALA A 5 31.105 1.244 -2.894 1.00 0.00 O ATOM 76 CB ALA A 5 30.283 -1.685 -3.212 1.00 0.00 C ATOM 0 H ALA A 5 29.467 -1.572 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 5 28.883 -0.065 -3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.689 -1.454 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.503 -2.440 -3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.079 -2.066 -3.852 1.00 0.00 H new ATOM 82 N ILE A 6 31.262 0.968 -5.122 1.00 0.00 N ATOM 83 CA ILE A 6 32.337 1.955 -5.210 1.00 0.00 C ATOM 84 C ILE A 6 31.829 3.379 -4.973 1.00 0.00 C ATOM 85 O ILE A 6 32.563 4.221 -4.485 1.00 0.00 O ATOM 86 CB ILE A 6 33.124 1.824 -6.524 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.569 0.374 -6.739 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.340 2.770 -6.593 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.599 -0.083 -5.729 1.00 0.00 C ATOM 0 H ILE A 6 30.959 0.559 -6.006 1.00 0.00 H new ATOM 0 HA ILE A 6 33.037 1.740 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 6 32.446 2.120 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.699 -0.280 -6.684 1.00 0.00 H new ATOM 0 HG13 ILE A 6 33.981 0.271 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.855 2.631 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.002 3.803 -6.510 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.023 2.545 -5.774 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.875 -1.118 -5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.484 0.549 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 6 34.181 -0.010 -4.725 1.00 0.00 H new ATOM 101 N GLU A 7 30.546 3.601 -5.302 1.00 0.00 N ATOM 102 CA GLU A 7 29.942 4.900 -5.020 1.00 0.00 C ATOM 103 C GLU A 7 29.404 4.983 -3.583 1.00 0.00 C ATOM 104 O GLU A 7 29.119 6.059 -3.085 1.00 0.00 O ATOM 105 CB GLU A 7 28.842 5.187 -6.046 1.00 0.00 C ATOM 106 CG GLU A 7 27.749 4.103 -6.087 1.00 0.00 C ATOM 107 CD GLU A 7 26.506 4.564 -6.875 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.664 5.235 -7.894 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.391 4.249 -6.459 1.00 0.00 O ATOM 0 H GLU A 7 29.931 2.921 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 7 30.714 5.665 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.382 6.148 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.292 5.277 -7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.152 3.199 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.457 3.844 -5.069 1.00 0.00 H new ATOM 116 N ARG A 8 29.291 3.787 -2.963 1.00 0.00 N ATOM 117 CA ARG A 8 28.752 3.671 -1.618 1.00 0.00 C ATOM 118 C ARG A 8 29.862 3.877 -0.587 1.00 0.00 C ATOM 119 O ARG A 8 29.769 4.738 0.269 1.00 0.00 O ATOM 120 CB ARG A 8 28.081 2.292 -1.500 1.00 0.00 C ATOM 121 CG ARG A 8 26.666 2.371 -0.917 1.00 0.00 C ATOM 122 CD ARG A 8 25.766 1.234 -1.423 1.00 0.00 C ATOM 123 NE ARG A 8 25.061 0.571 -0.334 1.00 0.00 N ATOM 124 CZ ARG A 8 24.113 1.180 0.411 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.774 2.451 0.199 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.514 0.491 1.377 1.00 0.00 N ATOM 0 H ARG A 8 29.569 2.900 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 8 28.006 4.441 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.038 1.828 -2.485 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.694 1.647 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.720 2.332 0.171 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.220 3.330 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.042 1.633 -2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.371 0.504 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 8 25.294 -0.399 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.233 2.985 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.055 2.890 0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.773 -0.481 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.796 0.934 1.950 1.00 0.00 H new ATOM 140 N LEU A 9 30.913 3.047 -0.772 1.00 0.00 N ATOM 141 CA LEU A 9 32.169 3.066 -0.037 1.00 0.00 C ATOM 142 C LEU A 9 32.766 4.495 -0.079 1.00 0.00 C ATOM 143 O LEU A 9 33.084 5.077 0.942 1.00 0.00 O ATOM 144 CB LEU A 9 33.127 2.025 -0.625 1.00 0.00 C ATOM 145 CG LEU A 9 32.606 0.578 -0.615 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.271 -0.179 -1.772 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.779 -0.127 0.734 1.00 0.00 C ATOM 0 H LEU A 9 30.893 2.312 -1.479 1.00 0.00 H new ATOM 0 HA LEU A 9 32.001 2.804 1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.356 2.305 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.064 2.061 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 9 31.526 0.594 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.916 -1.209 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 9 33.018 0.304 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.353 -0.170 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.389 -1.143 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.837 -0.161 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.234 0.420 1.503 1.00 0.00 H new ATOM 159 N LYS A 10 32.842 5.053 -1.307 1.00 0.00 N ATOM 160 CA LYS A 10 33.325 6.433 -1.449 1.00 0.00 C ATOM 161 C LYS A 10 32.419 7.471 -0.763 1.00 0.00 C ATOM 162 O LYS A 10 32.892 8.479 -0.261 1.00 0.00 O ATOM 163 CB LYS A 10 33.380 6.806 -2.925 1.00 0.00 C ATOM 164 CG LYS A 10 34.495 6.093 -3.669 1.00 0.00 C ATOM 165 CD LYS A 10 34.539 6.383 -5.176 1.00 0.00 C ATOM 166 CE LYS A 10 33.335 7.132 -5.753 1.00 0.00 C ATOM 167 NZ LYS A 10 33.538 7.497 -7.144 1.00 0.00 N ATOM 0 H LYS A 10 32.586 4.588 -2.178 1.00 0.00 H new ATOM 0 HA LYS A 10 34.306 6.455 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.425 6.565 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.518 7.883 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.450 6.379 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.385 5.019 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 10 35.437 6.963 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 10 34.639 5.435 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 10 32.445 6.508 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 10 33.152 8.031 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 32.700 8.002 -7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.372 8.113 -7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.688 6.638 -7.710 1.00 0.00 H new ATOM 181 N ALA A 11 31.100 7.172 -0.793 1.00 0.00 N ATOM 182 CA ALA A 11 30.122 8.092 -0.214 1.00 0.00 C ATOM 183 C ALA A 11 30.259 8.221 1.316 1.00 0.00 C ATOM 184 O ALA A 11 29.807 9.199 1.895 1.00 0.00 O ATOM 185 CB ALA A 11 28.699 7.661 -0.580 1.00 0.00 C ATOM 0 H ALA A 11 30.707 6.324 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 11 30.326 9.075 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.984 8.357 -0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.586 7.661 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.512 6.658 -0.196 1.00 0.00 H new ATOM 191 N LEU A 12 30.924 7.214 1.930 1.00 0.00 N ATOM 192 CA LEU A 12 31.202 7.275 3.363 1.00 0.00 C ATOM 193 C LEU A 12 32.390 8.229 3.686 1.00 0.00 C ATOM 194 O LEU A 12 32.805 8.323 4.833 1.00 0.00 O ATOM 195 CB LEU A 12 31.533 5.862 3.868 1.00 0.00 C ATOM 196 CG LEU A 12 30.370 4.846 3.943 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.476 3.800 2.835 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.361 4.106 5.282 1.00 0.00 C ATOM 0 H LEU A 12 31.265 6.375 1.460 1.00 0.00 H new ATOM 0 HA LEU A 12 30.316 7.667 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.305 5.445 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.967 5.953 4.864 1.00 0.00 H new ATOM 0 HG LEU A 12 29.452 5.422 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.644 3.100 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.443 4.294 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.417 3.258 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.531 3.400 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.300 3.566 5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.245 4.824 6.094 1.00 0.00 H new ATOM 210 N GLY A 13 32.901 8.920 2.633 1.00 0.00 N ATOM 211 CA GLY A 13 33.982 9.897 2.777 1.00 0.00 C ATOM 212 C GLY A 13 35.336 9.368 2.273 1.00 0.00 C ATOM 213 O GLY A 13 36.381 9.936 2.560 1.00 0.00 O ATOM 0 H GLY A 13 32.570 8.808 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.723 10.802 2.227 1.00 0.00 H new ATOM 0 HA3 GLY A 13 34.075 10.177 3.826 1.00 0.00 H new ATOM 217 N PHE A 14 35.269 8.243 1.525 1.00 0.00 N ATOM 218 CA PHE A 14 36.486 7.536 1.137 1.00 0.00 C ATOM 219 C PHE A 14 36.848 7.924 -0.311 1.00 0.00 C ATOM 220 O PHE A 14 36.602 9.048 -0.738 1.00 0.00 O ATOM 221 CB PHE A 14 36.279 6.019 1.362 1.00 0.00 C ATOM 222 CG PHE A 14 35.718 5.692 2.727 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.915 6.522 3.834 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.943 4.549 2.889 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.269 6.267 5.029 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.300 4.287 4.087 1.00 0.00 C ATOM 227 CZ PHE A 14 34.443 5.171 5.149 1.00 0.00 C ATOM 0 H PHE A 14 34.402 7.822 1.190 1.00 0.00 H new ATOM 0 HA PHE A 14 37.340 7.821 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.605 5.633 0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.232 5.506 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.578 7.371 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.841 3.855 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.412 6.928 5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.691 3.401 4.195 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.906 4.999 6.070 1.00 0.00 H new ATOM 237 N GLU A 15 37.444 6.952 -1.028 1.00 0.00 N ATOM 238 CA GLU A 15 37.908 7.177 -2.391 1.00 0.00 C ATOM 239 C GLU A 15 38.053 5.816 -3.058 1.00 0.00 C ATOM 240 O GLU A 15 38.511 4.868 -2.431 1.00 0.00 O ATOM 241 CB GLU A 15 39.270 7.892 -2.396 1.00 0.00 C ATOM 242 CG GLU A 15 39.522 8.658 -3.709 1.00 0.00 C ATOM 243 CD GLU A 15 38.913 10.078 -3.732 1.00 0.00 C ATOM 244 OE1 GLU A 15 38.351 10.519 -2.728 1.00 0.00 O ATOM 245 OE2 GLU A 15 39.018 10.737 -4.766 1.00 0.00 O ATOM 0 H GLU A 15 37.611 6.009 -0.678 1.00 0.00 H new ATOM 0 HA GLU A 15 37.194 7.806 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.316 8.587 -1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.063 7.159 -2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 15 40.597 8.731 -3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 15 39.110 8.083 -4.538 1.00 0.00 H new ATOM 252 N GLU A 16 37.646 5.793 -4.346 1.00 0.00 N ATOM 253 CA GLU A 16 37.588 4.615 -5.212 1.00 0.00 C ATOM 254 C GLU A 16 38.828 3.682 -5.115 1.00 0.00 C ATOM 255 O GLU A 16 38.739 2.497 -5.400 1.00 0.00 O ATOM 256 CB GLU A 16 37.368 5.099 -6.655 1.00 0.00 C ATOM 257 CG GLU A 16 37.694 4.069 -7.751 1.00 0.00 C ATOM 258 CD GLU A 16 37.405 4.591 -9.167 1.00 0.00 C ATOM 259 OE1 GLU A 16 36.919 5.713 -9.311 1.00 0.00 O ATOM 260 OE2 GLU A 16 37.685 3.864 -10.119 1.00 0.00 O ATOM 0 H GLU A 16 37.336 6.639 -4.824 1.00 0.00 H new ATOM 0 HA GLU A 16 36.759 3.994 -4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.327 5.404 -6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.979 5.986 -6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.745 3.790 -7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.112 3.164 -7.577 1.00 0.00 H new ATOM 267 N SER A 17 39.973 4.263 -4.716 1.00 0.00 N ATOM 268 CA SER A 17 41.196 3.488 -4.604 1.00 0.00 C ATOM 269 C SER A 17 41.233 2.706 -3.287 1.00 0.00 C ATOM 270 O SER A 17 41.432 1.502 -3.296 1.00 0.00 O ATOM 271 CB SER A 17 42.384 4.455 -4.680 1.00 0.00 C ATOM 272 OG SER A 17 42.941 4.525 -5.977 1.00 0.00 O ATOM 0 H SER A 17 40.066 5.249 -4.472 1.00 0.00 H new ATOM 0 HA SER A 17 41.244 2.763 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.060 5.449 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.152 4.138 -3.974 1.00 0.00 H new ATOM 0 HG SER A 17 43.693 5.154 -5.977 1.00 0.00 H new ATOM 278 N LEU A 18 41.031 3.445 -2.166 1.00 0.00 N ATOM 279 CA LEU A 18 41.027 2.770 -0.863 1.00 0.00 C ATOM 280 C LEU A 18 39.826 1.836 -0.720 1.00 0.00 C ATOM 281 O LEU A 18 39.833 0.942 0.118 1.00 0.00 O ATOM 282 CB LEU A 18 41.138 3.773 0.302 1.00 0.00 C ATOM 283 CG LEU A 18 39.848 4.453 0.823 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.598 4.120 2.302 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.921 5.972 0.666 1.00 0.00 C ATOM 0 H LEU A 18 40.877 4.453 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 18 41.918 2.144 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.601 3.254 1.142 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.826 4.561 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 18 39.025 4.066 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.685 4.613 2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.492 3.042 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.439 4.469 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.001 6.421 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.769 6.356 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.045 6.223 -0.387 1.00 0.00 H new ATOM 297 N VAL A 19 38.833 2.106 -1.579 1.00 0.00 N ATOM 298 CA VAL A 19 37.545 1.443 -1.704 1.00 0.00 C ATOM 299 C VAL A 19 37.695 0.106 -2.442 1.00 0.00 C ATOM 300 O VAL A 19 37.311 -0.933 -1.936 1.00 0.00 O ATOM 301 CB VAL A 19 36.671 2.445 -2.464 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.576 1.832 -3.315 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.159 3.599 -1.595 1.00 0.00 C ATOM 0 H VAL A 19 38.928 2.860 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 19 37.100 1.185 -0.743 1.00 0.00 H new ATOM 0 HB VAL A 19 37.365 2.882 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.015 2.624 -3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.021 1.178 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.904 1.253 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.548 4.268 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.559 3.200 -0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 19 37.006 4.151 -1.188 1.00 0.00 H new ATOM 313 N ILE A 20 38.254 0.213 -3.671 1.00 0.00 N ATOM 314 CA ILE A 20 38.462 -0.958 -4.518 1.00 0.00 C ATOM 315 C ILE A 20 39.336 -1.971 -3.792 1.00 0.00 C ATOM 316 O ILE A 20 38.967 -3.123 -3.679 1.00 0.00 O ATOM 317 CB ILE A 20 39.079 -0.560 -5.882 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.019 -0.017 -6.848 1.00 0.00 C ATOM 319 CG2 ILE A 20 39.856 -1.698 -6.566 1.00 0.00 C ATOM 320 CD1 ILE A 20 37.135 -1.124 -7.443 1.00 0.00 C ATOM 0 H ILE A 20 38.562 1.094 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 20 37.495 -1.416 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 20 39.795 0.227 -5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.390 0.702 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 20 38.513 0.522 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.259 -1.344 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.675 -2.018 -5.921 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.186 -2.539 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.403 -0.681 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.757 -1.830 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.617 -1.647 -6.639 1.00 0.00 H new ATOM 332 N GLN A 21 40.488 -1.457 -3.305 1.00 0.00 N ATOM 333 CA GLN A 21 41.409 -2.293 -2.550 1.00 0.00 C ATOM 334 C GLN A 21 40.816 -2.754 -1.205 1.00 0.00 C ATOM 335 O GLN A 21 41.218 -3.787 -0.699 1.00 0.00 O ATOM 336 CB GLN A 21 42.747 -1.572 -2.297 1.00 0.00 C ATOM 337 CG GLN A 21 43.669 -1.543 -3.533 1.00 0.00 C ATOM 338 CD GLN A 21 45.160 -1.545 -3.131 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.523 -1.452 -1.964 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.982 -1.812 -4.162 1.00 0.00 N ATOM 0 H GLN A 21 40.785 -0.489 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 21 41.586 -3.175 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.546 -0.549 -1.979 1.00 0.00 H new ATOM 0 HB3 GLN A 21 43.267 -2.065 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.461 -2.407 -4.163 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.453 -0.655 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.608 -1.875 -5.109 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.979 -1.952 -3.997 1.00 0.00 H new ATOM 349 N ALA A 22 39.858 -1.970 -0.661 1.00 0.00 N ATOM 350 CA ALA A 22 39.197 -2.377 0.581 1.00 0.00 C ATOM 351 C ALA A 22 38.082 -3.400 0.361 1.00 0.00 C ATOM 352 O ALA A 22 37.648 -4.030 1.311 1.00 0.00 O ATOM 353 CB ALA A 22 38.520 -1.193 1.265 1.00 0.00 C ATOM 0 H ALA A 22 39.539 -1.084 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 22 39.998 -2.804 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 22 38.039 -1.530 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.266 -0.435 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.770 -0.767 0.598 1.00 0.00 H new ATOM 359 N TYR A 23 37.629 -3.503 -0.907 1.00 0.00 N ATOM 360 CA TYR A 23 36.545 -4.416 -1.254 1.00 0.00 C ATOM 361 C TYR A 23 37.127 -5.672 -1.908 1.00 0.00 C ATOM 362 O TYR A 23 36.493 -6.707 -1.908 1.00 0.00 O ATOM 363 CB TYR A 23 35.559 -3.716 -2.210 1.00 0.00 C ATOM 364 CG TYR A 23 34.104 -3.983 -1.906 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.432 -3.156 -1.024 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.389 -5.009 -2.513 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.080 -3.303 -0.783 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.028 -5.171 -2.286 1.00 0.00 C ATOM 369 CZ TYR A 23 31.373 -4.288 -1.434 1.00 0.00 C ATOM 370 OH TYR A 23 30.019 -4.337 -1.202 1.00 0.00 O ATOM 0 H TYR A 23 37.999 -2.967 -1.692 1.00 0.00 H new ATOM 0 HA TYR A 23 36.006 -4.705 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.735 -2.641 -2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.770 -4.037 -3.230 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.977 -2.377 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.901 -5.693 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.579 -2.647 -0.086 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.485 -5.973 -2.765 1.00 0.00 H new ATOM 0 HH TYR A 23 29.542 -4.375 -2.057 1.00 0.00 H new ATOM 380 N PHE A 24 38.351 -5.540 -2.460 1.00 0.00 N ATOM 381 CA PHE A 24 39.004 -6.653 -3.143 1.00 0.00 C ATOM 382 C PHE A 24 39.907 -7.412 -2.160 1.00 0.00 C ATOM 383 O PHE A 24 39.991 -8.630 -2.199 1.00 0.00 O ATOM 384 CB PHE A 24 39.842 -6.119 -4.323 1.00 0.00 C ATOM 385 CG PHE A 24 39.228 -6.384 -5.672 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.412 -7.622 -6.275 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.497 -5.409 -6.345 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.914 -7.872 -7.545 1.00 0.00 C ATOM 389 CE2 PHE A 24 37.998 -5.652 -7.618 1.00 0.00 C ATOM 390 CZ PHE A 24 38.216 -6.883 -8.222 1.00 0.00 C ATOM 0 H PHE A 24 38.895 -4.678 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 24 38.244 -7.335 -3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 24 39.980 -5.045 -4.202 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.832 -6.574 -4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.949 -8.398 -5.749 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.316 -4.455 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.070 -8.836 -8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 24 37.442 -4.885 -8.137 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.842 -7.070 -9.218 1.00 0.00 H new ATOM 400 N ALA A 25 40.565 -6.616 -1.280 1.00 0.00 N ATOM 401 CA ALA A 25 41.421 -7.201 -0.248 1.00 0.00 C ATOM 402 C ALA A 25 40.583 -7.919 0.822 1.00 0.00 C ATOM 403 O ALA A 25 41.042 -8.857 1.458 1.00 0.00 O ATOM 404 CB ALA A 25 42.292 -6.130 0.417 1.00 0.00 C ATOM 0 H ALA A 25 40.515 -5.597 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 25 42.068 -7.929 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.918 -6.592 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.925 -5.657 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.653 -5.377 0.879 1.00 0.00 H new ATOM 410 N CYS A 26 39.327 -7.433 0.955 1.00 0.00 N ATOM 411 CA CYS A 26 38.367 -8.061 1.859 1.00 0.00 C ATOM 412 C CYS A 26 37.664 -9.273 1.220 1.00 0.00 C ATOM 413 O CYS A 26 36.761 -9.839 1.821 1.00 0.00 O ATOM 414 CB CYS A 26 37.311 -7.023 2.258 1.00 0.00 C ATOM 415 SG CYS A 26 37.733 -6.268 3.847 1.00 0.00 S ATOM 0 H CYS A 26 38.970 -6.621 0.452 1.00 0.00 H new ATOM 0 HA CYS A 26 38.916 -8.421 2.729 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.241 -6.253 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.332 -7.498 2.323 1.00 0.00 H new ATOM 0 HG CYS A 26 38.890 -5.682 3.755 1.00 0.00 H new ATOM 421 N GLU A 27 38.093 -9.626 -0.017 1.00 0.00 N ATOM 422 CA GLU A 27 37.437 -10.692 -0.775 1.00 0.00 C ATOM 423 C GLU A 27 35.930 -10.412 -0.967 1.00 0.00 C ATOM 424 O GLU A 27 35.073 -11.183 -0.568 1.00 0.00 O ATOM 425 CB GLU A 27 37.746 -12.068 -0.145 1.00 0.00 C ATOM 426 CG GLU A 27 36.938 -13.278 -0.666 1.00 0.00 C ATOM 427 CD GLU A 27 36.674 -13.243 -2.194 1.00 0.00 C ATOM 428 OE1 GLU A 27 37.627 -13.073 -2.954 1.00 0.00 O ATOM 429 OE2 GLU A 27 35.520 -13.376 -2.607 1.00 0.00 O ATOM 0 H GLU A 27 38.880 -9.188 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 27 37.849 -10.716 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.805 -12.279 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.585 -11.992 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 37.475 -14.194 -0.420 1.00 0.00 H new ATOM 0 HG3 GLU A 27 35.983 -13.318 -0.142 1.00 0.00 H new ATOM 436 N LYS A 28 35.697 -9.253 -1.615 1.00 0.00 N ATOM 437 CA LYS A 28 34.397 -8.758 -2.077 1.00 0.00 C ATOM 438 C LYS A 28 33.212 -9.213 -1.187 1.00 0.00 C ATOM 439 O LYS A 28 32.232 -9.777 -1.656 1.00 0.00 O ATOM 440 CB LYS A 28 34.233 -9.190 -3.545 1.00 0.00 C ATOM 441 CG LYS A 28 35.476 -8.966 -4.434 1.00 0.00 C ATOM 442 CD LYS A 28 35.647 -7.529 -4.940 1.00 0.00 C ATOM 443 CE LYS A 28 35.195 -7.348 -6.391 1.00 0.00 C ATOM 444 NZ LYS A 28 35.783 -8.315 -7.303 1.00 0.00 N ATOM 0 H LYS A 28 36.454 -8.608 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 28 34.378 -7.671 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.973 -10.248 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.393 -8.645 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.365 -9.247 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.418 -9.635 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 28 35.077 -6.854 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.695 -7.241 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.109 -7.429 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.455 -6.343 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.424 -8.148 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.818 -8.213 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.529 -9.277 -7.000 1.00 0.00 H new ATOM 458 N ASN A 29 33.405 -8.963 0.133 1.00 0.00 N ATOM 459 CA ASN A 29 32.519 -9.524 1.154 1.00 0.00 C ATOM 460 C ASN A 29 31.422 -8.530 1.547 1.00 0.00 C ATOM 461 O ASN A 29 30.345 -8.928 1.967 1.00 0.00 O ATOM 462 CB ASN A 29 33.339 -9.924 2.402 1.00 0.00 C ATOM 463 CG ASN A 29 33.269 -11.425 2.733 1.00 0.00 C ATOM 464 OD1 ASN A 29 32.994 -11.822 3.858 1.00 0.00 O ATOM 465 ND2 ASN A 29 33.539 -12.225 1.685 1.00 0.00 N ATOM 0 H ASN A 29 34.159 -8.383 0.500 1.00 0.00 H new ATOM 0 HA ASN A 29 32.039 -10.409 0.735 1.00 0.00 H new ATOM 0 HB2 ASN A 29 34.381 -9.643 2.247 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.980 -9.355 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 29 33.522 -13.238 1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.760 -11.818 0.776 1.00 0.00 H new ATOM 472 N GLU A 30 31.767 -7.234 1.369 1.00 0.00 N ATOM 473 CA GLU A 30 30.846 -6.113 1.533 1.00 0.00 C ATOM 474 C GLU A 30 30.844 -5.589 2.968 1.00 0.00 C ATOM 475 O GLU A 30 31.287 -4.485 3.245 1.00 0.00 O ATOM 476 CB GLU A 30 29.420 -6.368 0.997 1.00 0.00 C ATOM 477 CG GLU A 30 29.385 -7.104 -0.371 1.00 0.00 C ATOM 478 CD GLU A 30 28.151 -6.749 -1.240 1.00 0.00 C ATOM 479 OE1 GLU A 30 27.493 -5.739 -0.981 1.00 0.00 O ATOM 480 OE2 GLU A 30 27.857 -7.497 -2.172 1.00 0.00 O ATOM 0 H GLU A 30 32.709 -6.946 1.104 1.00 0.00 H new ATOM 0 HA GLU A 30 31.239 -5.324 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.867 -6.956 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 30 28.903 -5.413 0.898 1.00 0.00 H new ATOM 0 HG2 GLU A 30 30.291 -6.862 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 30 29.397 -8.180 -0.195 1.00 0.00 H new ATOM 487 N ASN A 31 30.319 -6.465 3.849 1.00 0.00 N ATOM 488 CA ASN A 31 30.264 -6.186 5.278 1.00 0.00 C ATOM 489 C ASN A 31 31.675 -6.085 5.873 1.00 0.00 C ATOM 490 O ASN A 31 31.873 -5.471 6.912 1.00 0.00 O ATOM 491 CB ASN A 31 29.475 -7.327 5.968 1.00 0.00 C ATOM 492 CG ASN A 31 28.220 -6.801 6.674 1.00 0.00 C ATOM 493 OD1 ASN A 31 28.097 -6.852 7.891 1.00 0.00 O ATOM 494 ND2 ASN A 31 27.307 -6.299 5.821 1.00 0.00 N ATOM 0 H ASN A 31 29.929 -7.370 3.584 1.00 0.00 H new ATOM 0 HA ASN A 31 29.767 -5.230 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.190 -8.073 5.226 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.117 -7.828 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 31 26.429 -5.921 6.178 1.00 0.00 H new ATOM 0 HD22 ASN A 31 27.493 -6.297 4.818 1.00 0.00 H new ATOM 501 N LEU A 32 32.629 -6.726 5.154 1.00 0.00 N ATOM 502 CA LEU A 32 34.015 -6.715 5.605 1.00 0.00 C ATOM 503 C LEU A 32 34.726 -5.473 5.043 1.00 0.00 C ATOM 504 O LEU A 32 35.603 -4.904 5.671 1.00 0.00 O ATOM 505 CB LEU A 32 34.739 -7.985 5.115 1.00 0.00 C ATOM 506 CG LEU A 32 35.787 -8.589 6.071 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.816 -9.430 5.300 1.00 0.00 C ATOM 508 CD2 LEU A 32 36.484 -7.586 6.998 1.00 0.00 C ATOM 0 H LEU A 32 32.459 -7.238 4.288 1.00 0.00 H new ATOM 0 HA LEU A 32 34.036 -6.689 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.988 -8.747 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 35.231 -7.755 4.170 1.00 0.00 H new ATOM 0 HG LEU A 32 35.213 -9.232 6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.544 -9.844 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 32 36.307 -10.243 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 32 37.329 -8.801 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 37.201 -8.111 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.006 -6.839 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.741 -7.093 7.625 1.00 0.00 H new ATOM 520 N ALA A 33 34.286 -5.105 3.814 1.00 0.00 N ATOM 521 CA ALA A 33 34.892 -3.971 3.130 1.00 0.00 C ATOM 522 C ALA A 33 34.648 -2.664 3.882 1.00 0.00 C ATOM 523 O ALA A 33 35.547 -1.863 4.062 1.00 0.00 O ATOM 524 CB ALA A 33 34.329 -3.831 1.729 1.00 0.00 C ATOM 0 H ALA A 33 33.536 -5.570 3.302 1.00 0.00 H new ATOM 0 HA ALA A 33 35.964 -4.163 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.794 -2.978 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.536 -4.738 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.252 -3.676 1.784 1.00 0.00 H new ATOM 530 N ALA A 34 33.383 -2.521 4.339 1.00 0.00 N ATOM 531 CA ALA A 34 33.056 -1.382 5.187 1.00 0.00 C ATOM 532 C ALA A 34 33.965 -1.375 6.422 1.00 0.00 C ATOM 533 O ALA A 34 34.573 -0.376 6.753 1.00 0.00 O ATOM 534 CB ALA A 34 31.584 -1.425 5.603 1.00 0.00 C ATOM 0 H ALA A 34 32.611 -3.157 4.139 1.00 0.00 H new ATOM 0 HA ALA A 34 33.221 -0.464 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.359 -0.566 6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.954 -1.396 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.389 -2.344 6.156 1.00 0.00 H new ATOM 540 N ASN A 35 34.077 -2.562 7.049 1.00 0.00 N ATOM 541 CA ASN A 35 34.942 -2.655 8.223 1.00 0.00 C ATOM 542 C ASN A 35 36.398 -2.225 7.931 1.00 0.00 C ATOM 543 O ASN A 35 37.036 -1.620 8.775 1.00 0.00 O ATOM 544 CB ASN A 35 34.918 -4.091 8.770 1.00 0.00 C ATOM 545 CG ASN A 35 34.909 -4.071 10.305 1.00 0.00 C ATOM 546 OD1 ASN A 35 33.967 -3.594 10.923 1.00 0.00 O ATOM 547 ND2 ASN A 35 35.999 -4.615 10.875 1.00 0.00 N ATOM 0 H ASN A 35 33.604 -3.423 6.776 1.00 0.00 H new ATOM 0 HA ASN A 35 34.551 -1.962 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.036 -4.615 8.400 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.789 -4.640 8.411 1.00 0.00 H new ATOM 0 HD21 ASN A 35 36.080 -4.649 11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 35 36.745 -4.993 10.291 1.00 0.00 H new ATOM 554 N PHE A 36 36.872 -2.537 6.702 1.00 0.00 N ATOM 555 CA PHE A 36 38.222 -2.152 6.277 1.00 0.00 C ATOM 556 C PHE A 36 38.378 -0.611 6.264 1.00 0.00 C ATOM 557 O PHE A 36 39.318 -0.057 6.815 1.00 0.00 O ATOM 558 CB PHE A 36 38.496 -2.757 4.881 1.00 0.00 C ATOM 559 CG PHE A 36 39.864 -2.462 4.301 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.217 -1.174 3.898 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.786 -3.486 4.108 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.445 -0.910 3.312 1.00 0.00 C ATOM 563 CE2 PHE A 36 42.020 -3.228 3.520 1.00 0.00 C ATOM 564 CZ PHE A 36 42.350 -1.940 3.119 1.00 0.00 C ATOM 0 H PHE A 36 36.339 -3.049 5.999 1.00 0.00 H new ATOM 0 HA PHE A 36 38.954 -2.541 6.985 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.371 -3.838 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.739 -2.387 4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.518 -0.364 4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.541 -4.491 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.695 0.095 3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.725 -4.033 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.307 -1.743 2.659 1.00 0.00 H new ATOM 574 N LEU A 37 37.407 0.024 5.566 1.00 0.00 N ATOM 575 CA LEU A 37 37.504 1.446 5.272 1.00 0.00 C ATOM 576 C LEU A 37 37.264 2.314 6.530 1.00 0.00 C ATOM 577 O LEU A 37 37.790 3.415 6.650 1.00 0.00 O ATOM 578 CB LEU A 37 36.499 1.815 4.174 1.00 0.00 C ATOM 579 CG LEU A 37 36.758 1.208 2.778 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.602 0.314 2.314 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.031 2.278 1.703 1.00 0.00 C ATOM 0 H LEU A 37 36.567 -0.430 5.208 1.00 0.00 H new ATOM 0 HA LEU A 37 38.518 1.649 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.506 1.508 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.481 2.901 4.077 1.00 0.00 H new ATOM 0 HG LEU A 37 37.655 0.600 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.828 -0.091 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.469 -0.505 3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.685 0.902 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.206 1.793 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.170 2.941 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.911 2.858 1.982 1.00 0.00 H new ATOM 593 N LEU A 38 36.445 1.745 7.447 1.00 0.00 N ATOM 594 CA LEU A 38 36.034 2.453 8.660 1.00 0.00 C ATOM 595 C LEU A 38 37.060 2.228 9.791 1.00 0.00 C ATOM 596 O LEU A 38 37.208 3.036 10.698 1.00 0.00 O ATOM 597 CB LEU A 38 34.617 2.038 9.143 1.00 0.00 C ATOM 598 CG LEU A 38 33.459 1.985 8.109 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.200 2.717 8.581 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.832 2.499 6.724 1.00 0.00 C ATOM 0 H LEU A 38 36.064 0.803 7.361 1.00 0.00 H new ATOM 0 HA LEU A 38 35.994 3.512 8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.699 1.050 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.322 2.729 9.933 1.00 0.00 H new ATOM 0 HG LEU A 38 33.248 0.919 8.027 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.428 2.644 7.815 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.840 2.263 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.435 3.766 8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.967 2.427 6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.148 3.540 6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.647 1.899 6.320 1.00 0.00 H new ATOM 612 N SER A 39 37.757 1.074 9.654 1.00 0.00 N ATOM 613 CA SER A 39 38.817 0.699 10.578 1.00 0.00 C ATOM 614 C SER A 39 40.113 1.458 10.271 1.00 0.00 C ATOM 615 O SER A 39 41.016 1.507 11.095 1.00 0.00 O ATOM 616 CB SER A 39 39.084 -0.814 10.516 1.00 0.00 C ATOM 617 OG SER A 39 40.056 -1.223 11.457 1.00 0.00 O ATOM 0 H SER A 39 37.593 0.398 8.908 1.00 0.00 H new ATOM 0 HA SER A 39 38.484 0.964 11.581 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.154 -1.353 10.699 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.416 -1.082 9.513 1.00 0.00 H new ATOM 0 HG SER A 39 40.716 -0.509 11.577 1.00 0.00 H new