USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=6 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 Set 1.1: A 35 ASN : amide:sc=-0.00133 X(o=1.1,f=1.2) USER MOD Set 1.2: A 39 SER OG : rot 85:sc= 1.15 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00577) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 79:sc= 0.735 USER MOD Single : A 26 CYS SG : rot 80:sc= -1.37 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0394) USER MOD Single : A 29 ASN : amide:sc= 0.012 K(o=0.012,f=-1.8!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 31.066 -2.028 -8.889 1.00 0.00 N ATOM 36 CA LYS A 3 31.093 -0.566 -9.010 1.00 0.00 C ATOM 37 C LYS A 3 29.976 0.135 -8.211 1.00 0.00 C ATOM 38 O LYS A 3 30.064 1.317 -7.903 1.00 0.00 O ATOM 39 CB LYS A 3 31.052 -0.163 -10.481 1.00 0.00 C ATOM 40 CG LYS A 3 29.802 -0.641 -11.227 1.00 0.00 C ATOM 41 CD LYS A 3 30.032 -0.645 -12.740 1.00 0.00 C ATOM 42 CE LYS A 3 30.184 0.758 -13.338 1.00 0.00 C ATOM 43 NZ LYS A 3 30.658 0.693 -14.712 1.00 0.00 N ATOM 0 HA LYS A 3 32.030 -0.228 -8.568 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.110 0.923 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 3 31.935 -0.562 -10.981 1.00 0.00 H new ATOM 0 HG2 LYS A 3 29.537 -1.644 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 3 28.960 0.008 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.928 -1.225 -12.962 1.00 0.00 H new ATOM 0 HD3 LYS A 3 29.197 -1.150 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 3 29.226 1.277 -13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 3 30.882 1.340 -12.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 30.752 1.656 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 31.583 0.219 -14.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 29.978 0.158 -15.289 1.00 0.00 H new ATOM 57 N GLU A 4 28.947 -0.673 -7.896 1.00 0.00 N ATOM 58 CA GLU A 4 27.793 -0.234 -7.123 1.00 0.00 C ATOM 59 C GLU A 4 28.203 0.091 -5.685 1.00 0.00 C ATOM 60 O GLU A 4 27.756 1.065 -5.088 1.00 0.00 O ATOM 61 CB GLU A 4 26.757 -1.364 -7.085 1.00 0.00 C ATOM 62 CG GLU A 4 26.554 -2.044 -8.444 1.00 0.00 C ATOM 63 CD GLU A 4 25.328 -2.974 -8.399 1.00 0.00 C ATOM 64 OE1 GLU A 4 25.423 -4.042 -7.794 1.00 0.00 O ATOM 65 OE2 GLU A 4 24.296 -2.618 -8.965 1.00 0.00 O ATOM 0 H GLU A 4 28.902 -1.653 -8.177 1.00 0.00 H new ATOM 0 HA GLU A 4 27.378 0.658 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.070 -2.111 -6.356 1.00 0.00 H new ATOM 0 HB3 GLU A 4 25.804 -0.963 -6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.418 -1.290 -9.219 1.00 0.00 H new ATOM 0 HG3 GLU A 4 27.443 -2.616 -8.708 1.00 0.00 H new ATOM 72 N ALA A 5 29.090 -0.789 -5.183 1.00 0.00 N ATOM 73 CA ALA A 5 29.652 -0.565 -3.868 1.00 0.00 C ATOM 74 C ALA A 5 30.719 0.529 -3.915 1.00 0.00 C ATOM 75 O ALA A 5 31.036 1.080 -2.881 1.00 0.00 O ATOM 76 CB ALA A 5 30.259 -1.845 -3.297 1.00 0.00 C ATOM 0 H ALA A 5 29.415 -1.630 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 5 28.838 -0.246 -3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.672 -1.642 -2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.487 -2.610 -3.217 1.00 0.00 H new ATOM 0 HB3 ALA A 5 31.052 -2.197 -3.957 1.00 0.00 H new ATOM 82 N ILE A 6 31.262 0.827 -5.116 1.00 0.00 N ATOM 83 CA ILE A 6 32.372 1.785 -5.160 1.00 0.00 C ATOM 84 C ILE A 6 31.884 3.200 -4.813 1.00 0.00 C ATOM 85 O ILE A 6 32.487 3.865 -3.994 1.00 0.00 O ATOM 86 CB ILE A 6 33.183 1.706 -6.468 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.640 0.270 -6.766 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.390 2.661 -6.507 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.664 -0.332 -5.809 1.00 0.00 C ATOM 0 H ILE A 6 30.968 0.442 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 6 33.087 1.503 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 6 32.495 2.032 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 6 32.760 -0.373 -6.773 1.00 0.00 H new ATOM 0 HG13 ILE A 6 34.059 0.247 -7.772 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.912 2.549 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.044 3.689 -6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.070 2.422 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.905 -1.347 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 6 35.569 0.275 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 6 34.250 -0.355 -4.801 1.00 0.00 H new ATOM 101 N GLU A 7 30.748 3.595 -5.422 1.00 0.00 N ATOM 102 CA GLU A 7 30.149 4.892 -5.092 1.00 0.00 C ATOM 103 C GLU A 7 29.573 4.948 -3.661 1.00 0.00 C ATOM 104 O GLU A 7 29.331 6.025 -3.131 1.00 0.00 O ATOM 105 CB GLU A 7 29.064 5.239 -6.123 1.00 0.00 C ATOM 106 CG GLU A 7 27.884 4.252 -6.147 1.00 0.00 C ATOM 107 CD GLU A 7 26.821 4.637 -7.199 1.00 0.00 C ATOM 108 OE1 GLU A 7 27.192 4.945 -8.331 1.00 0.00 O ATOM 109 OE2 GLU A 7 25.632 4.620 -6.877 1.00 0.00 O ATOM 0 H GLU A 7 30.244 3.051 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 7 30.948 5.633 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.684 6.239 -5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.517 5.272 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.256 3.249 -6.359 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.421 4.218 -5.161 1.00 0.00 H new ATOM 116 N ARG A 8 29.371 3.750 -3.083 1.00 0.00 N ATOM 117 CA ARG A 8 28.788 3.619 -1.752 1.00 0.00 C ATOM 118 C ARG A 8 29.868 3.826 -0.686 1.00 0.00 C ATOM 119 O ARG A 8 29.741 4.694 0.165 1.00 0.00 O ATOM 120 CB ARG A 8 28.127 2.233 -1.665 1.00 0.00 C ATOM 121 CG ARG A 8 26.705 2.261 -1.085 1.00 0.00 C ATOM 122 CD ARG A 8 25.758 1.270 -1.782 1.00 0.00 C ATOM 123 NE ARG A 8 25.048 0.432 -0.826 1.00 0.00 N ATOM 124 CZ ARG A 8 24.058 0.894 -0.032 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.683 2.170 -0.067 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.452 0.048 0.795 1.00 0.00 N ATOM 0 H ARG A 8 29.606 2.862 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 8 28.028 4.380 -1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.094 1.793 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.748 1.582 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.747 2.029 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.300 3.269 -1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.038 1.821 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.330 0.639 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 8 25.311 -0.551 -0.752 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.146 2.820 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.933 2.498 0.541 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.737 -0.931 0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.702 0.378 1.403 1.00 0.00 H new ATOM 140 N LEU A 9 30.926 2.999 -0.826 1.00 0.00 N ATOM 141 CA LEU A 9 32.163 3.012 -0.049 1.00 0.00 C ATOM 142 C LEU A 9 32.748 4.453 -0.048 1.00 0.00 C ATOM 143 O LEU A 9 33.047 5.013 0.992 1.00 0.00 O ATOM 144 CB LEU A 9 33.137 1.971 -0.622 1.00 0.00 C ATOM 145 CG LEU A 9 32.626 0.514 -0.605 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.267 -0.258 -1.763 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.846 -0.205 0.725 1.00 0.00 C ATOM 0 H LEU A 9 30.929 2.262 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 9 31.976 2.736 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.373 2.245 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.068 2.019 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 9 31.544 0.551 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.910 -1.288 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.997 0.213 -2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.351 -0.249 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.461 -1.222 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.912 -0.235 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.323 0.329 1.518 1.00 0.00 H new ATOM 159 N LYS A 10 32.831 5.036 -1.260 1.00 0.00 N ATOM 160 CA LYS A 10 33.319 6.417 -1.416 1.00 0.00 C ATOM 161 C LYS A 10 32.403 7.447 -0.733 1.00 0.00 C ATOM 162 O LYS A 10 32.867 8.450 -0.205 1.00 0.00 O ATOM 163 CB LYS A 10 33.364 6.771 -2.901 1.00 0.00 C ATOM 164 CG LYS A 10 34.405 5.969 -3.661 1.00 0.00 C ATOM 165 CD LYS A 10 34.157 6.029 -5.164 1.00 0.00 C ATOM 166 CE LYS A 10 34.682 7.319 -5.797 1.00 0.00 C ATOM 167 NZ LYS A 10 34.373 7.310 -7.218 1.00 0.00 N ATOM 0 H LYS A 10 32.570 4.578 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 10 34.305 6.457 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.383 6.596 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 10 33.578 7.834 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.400 6.355 -3.438 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.384 4.932 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 10 34.635 5.174 -5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 10 33.087 5.944 -5.355 1.00 0.00 H new ATOM 0 HE2 LYS A 10 34.226 8.186 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 10 35.758 7.401 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 34.786 8.152 -7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.770 6.454 -7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 33.341 7.318 -7.349 1.00 0.00 H new ATOM 181 N ALA A 11 31.090 7.146 -0.791 1.00 0.00 N ATOM 182 CA ALA A 11 30.089 8.049 -0.225 1.00 0.00 C ATOM 183 C ALA A 11 30.183 8.146 1.311 1.00 0.00 C ATOM 184 O ALA A 11 29.702 9.109 1.894 1.00 0.00 O ATOM 185 CB ALA A 11 28.678 7.619 -0.638 1.00 0.00 C ATOM 0 H ALA A 11 30.711 6.300 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 11 30.297 9.040 -0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.948 8.304 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.595 7.638 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.485 6.609 -0.277 1.00 0.00 H new ATOM 191 N LEU A 12 30.839 7.136 1.928 1.00 0.00 N ATOM 192 CA LEU A 12 31.074 7.175 3.369 1.00 0.00 C ATOM 193 C LEU A 12 32.248 8.134 3.738 1.00 0.00 C ATOM 194 O LEU A 12 32.621 8.216 4.903 1.00 0.00 O ATOM 195 CB LEU A 12 31.390 5.756 3.875 1.00 0.00 C ATOM 196 CG LEU A 12 30.236 4.724 3.902 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.396 3.690 2.788 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.216 3.964 5.231 1.00 0.00 C ATOM 0 H LEU A 12 31.203 6.309 1.455 1.00 0.00 H new ATOM 0 HA LEU A 12 30.170 7.554 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.188 5.349 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 12 31.786 5.842 4.887 1.00 0.00 H new ATOM 0 HG LEU A 12 29.311 5.284 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.572 2.978 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.391 4.193 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.340 3.160 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.397 3.245 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.161 3.437 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.076 4.668 6.051 1.00 0.00 H new ATOM 210 N GLY A 13 32.792 8.847 2.722 1.00 0.00 N ATOM 211 CA GLY A 13 33.846 9.847 2.928 1.00 0.00 C ATOM 212 C GLY A 13 35.237 9.330 2.535 1.00 0.00 C ATOM 213 O GLY A 13 36.248 9.837 3.012 1.00 0.00 O ATOM 0 H GLY A 13 32.509 8.740 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.615 10.738 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.857 10.147 3.976 1.00 0.00 H new ATOM 217 N PHE A 14 35.224 8.291 1.668 1.00 0.00 N ATOM 218 CA PHE A 14 36.447 7.579 1.292 1.00 0.00 C ATOM 219 C PHE A 14 36.813 7.973 -0.156 1.00 0.00 C ATOM 220 O PHE A 14 36.562 9.098 -0.575 1.00 0.00 O ATOM 221 CB PHE A 14 36.222 6.058 1.479 1.00 0.00 C ATOM 222 CG PHE A 14 35.666 5.684 2.837 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.853 6.488 3.962 1.00 0.00 C ATOM 224 CD2 PHE A 14 34.889 4.536 2.960 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.174 6.220 5.138 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.212 4.263 4.138 1.00 0.00 C ATOM 227 CZ PHE A 14 34.327 5.133 5.214 1.00 0.00 C ATOM 0 H PHE A 14 34.378 7.935 1.222 1.00 0.00 H new ATOM 0 HA PHE A 14 37.290 7.852 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.539 5.704 0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.169 5.539 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.533 7.326 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.813 3.851 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.307 6.862 5.996 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.598 3.378 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 14 33.753 4.959 6.112 1.00 0.00 H new ATOM 237 N GLU A 15 37.413 7.005 -0.885 1.00 0.00 N ATOM 238 CA GLU A 15 37.890 7.233 -2.249 1.00 0.00 C ATOM 239 C GLU A 15 38.071 5.873 -2.931 1.00 0.00 C ATOM 240 O GLU A 15 38.500 4.918 -2.299 1.00 0.00 O ATOM 241 CB GLU A 15 39.233 7.989 -2.226 1.00 0.00 C ATOM 242 CG GLU A 15 39.541 8.675 -3.564 1.00 0.00 C ATOM 243 CD GLU A 15 40.959 9.280 -3.601 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.913 8.574 -3.276 1.00 0.00 O ATOM 245 OE2 GLU A 15 41.095 10.450 -3.962 1.00 0.00 O ATOM 0 H GLU A 15 37.574 6.058 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 15 37.166 7.836 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.212 8.737 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.035 7.292 -1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 15 39.436 7.952 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.808 9.462 -3.743 1.00 0.00 H new ATOM 252 N GLU A 16 37.723 5.854 -4.239 1.00 0.00 N ATOM 253 CA GLU A 16 37.679 4.666 -5.100 1.00 0.00 C ATOM 254 C GLU A 16 38.919 3.732 -4.983 1.00 0.00 C ATOM 255 O GLU A 16 38.838 2.546 -5.272 1.00 0.00 O ATOM 256 CB GLU A 16 37.447 5.129 -6.552 1.00 0.00 C ATOM 257 CG GLU A 16 37.737 4.093 -7.663 1.00 0.00 C ATOM 258 CD GLU A 16 39.153 4.292 -8.267 1.00 0.00 C ATOM 259 OE1 GLU A 16 40.120 3.788 -7.699 1.00 0.00 O ATOM 260 OE2 GLU A 16 39.276 4.952 -9.299 1.00 0.00 O ATOM 0 H GLU A 16 37.456 6.704 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 16 36.853 4.043 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.409 5.448 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.068 6.006 -6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.652 3.086 -7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.988 4.182 -8.450 1.00 0.00 H new ATOM 267 N SER A 17 40.054 4.311 -4.561 1.00 0.00 N ATOM 268 CA SER A 17 41.280 3.538 -4.441 1.00 0.00 C ATOM 269 C SER A 17 41.305 2.754 -3.122 1.00 0.00 C ATOM 270 O SER A 17 41.528 1.550 -3.130 1.00 0.00 O ATOM 271 CB SER A 17 42.459 4.515 -4.511 1.00 0.00 C ATOM 272 OG SER A 17 43.050 4.565 -5.796 1.00 0.00 O ATOM 0 H SER A 17 40.139 5.294 -4.304 1.00 0.00 H new ATOM 0 HA SER A 17 41.344 2.810 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 17 42.117 5.512 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.213 4.222 -3.780 1.00 0.00 H new ATOM 0 HG SER A 17 43.794 5.202 -5.789 1.00 0.00 H new ATOM 278 N LEU A 18 41.064 3.479 -2.003 1.00 0.00 N ATOM 279 CA LEU A 18 41.024 2.805 -0.701 1.00 0.00 C ATOM 280 C LEU A 18 39.838 1.834 -0.614 1.00 0.00 C ATOM 281 O LEU A 18 39.865 0.891 0.167 1.00 0.00 O ATOM 282 CB LEU A 18 41.088 3.808 0.471 1.00 0.00 C ATOM 283 CG LEU A 18 39.781 4.486 0.943 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.416 4.111 2.387 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.900 6.011 0.875 1.00 0.00 C ATOM 0 H LEU A 18 40.902 4.486 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 18 41.923 2.196 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.518 3.288 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.787 4.597 0.193 1.00 0.00 H new ATOM 0 HG LEU A 18 39.001 4.129 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.491 4.613 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.280 3.032 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.217 4.422 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 18 38.968 6.464 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.717 6.341 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.100 6.315 -0.152 1.00 0.00 H new ATOM 297 N VAL A 19 38.844 2.129 -1.470 1.00 0.00 N ATOM 298 CA VAL A 19 37.562 1.451 -1.640 1.00 0.00 C ATOM 299 C VAL A 19 37.740 0.121 -2.374 1.00 0.00 C ATOM 300 O VAL A 19 37.354 -0.924 -1.874 1.00 0.00 O ATOM 301 CB VAL A 19 36.681 2.429 -2.430 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.613 1.772 -3.305 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.130 3.573 -1.558 1.00 0.00 C ATOM 0 H VAL A 19 38.932 2.917 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 19 37.104 1.199 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 19 37.362 2.886 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 19 35.042 2.543 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 19 36.092 1.122 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.942 1.183 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.515 4.233 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.526 3.157 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.959 4.140 -1.135 1.00 0.00 H new ATOM 313 N ILE A 20 38.327 0.235 -3.581 1.00 0.00 N ATOM 314 CA ILE A 20 38.607 -0.943 -4.398 1.00 0.00 C ATOM 315 C ILE A 20 39.445 -1.934 -3.600 1.00 0.00 C ATOM 316 O ILE A 20 39.046 -3.073 -3.447 1.00 0.00 O ATOM 317 CB ILE A 20 39.264 -0.546 -5.738 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.169 -0.115 -6.732 1.00 0.00 C ATOM 319 CG2 ILE A 20 40.154 -1.652 -6.338 1.00 0.00 C ATOM 320 CD1 ILE A 20 38.680 0.259 -8.122 1.00 0.00 C ATOM 0 H ILE A 20 38.610 1.121 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 20 37.670 -1.437 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 20 39.935 0.289 -5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.448 -0.926 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 20 37.634 0.738 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.583 -1.304 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.956 -1.892 -5.640 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.553 -2.543 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 20 37.840 0.549 -8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 39.377 1.093 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 20 39.188 -0.597 -8.565 1.00 0.00 H new ATOM 332 N GLN A 21 40.585 -1.435 -3.088 1.00 0.00 N ATOM 333 CA GLN A 21 41.467 -2.281 -2.286 1.00 0.00 C ATOM 334 C GLN A 21 40.782 -2.788 -0.994 1.00 0.00 C ATOM 335 O GLN A 21 41.131 -3.845 -0.491 1.00 0.00 O ATOM 336 CB GLN A 21 42.750 -1.502 -1.979 1.00 0.00 C ATOM 337 CG GLN A 21 43.727 -2.240 -1.054 1.00 0.00 C ATOM 338 CD GLN A 21 45.059 -1.480 -1.068 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.184 -0.388 -0.517 1.00 0.00 O ATOM 340 NE2 GLN A 21 45.989 -2.060 -1.836 1.00 0.00 N ATOM 0 H GLN A 21 40.905 -0.475 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 21 41.712 -3.175 -2.859 1.00 0.00 H new ATOM 0 HB2 GLN A 21 43.257 -1.274 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.483 -0.549 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.328 -2.291 -0.041 1.00 0.00 H new ATOM 0 HG3 GLN A 21 43.870 -3.266 -1.392 1.00 0.00 H new ATOM 0 HE21 GLN A 21 45.807 -2.970 -2.258 1.00 0.00 H new ATOM 0 HE22 GLN A 21 46.880 -1.592 -1.999 1.00 0.00 H new ATOM 349 N ALA A 22 39.797 -2.004 -0.506 1.00 0.00 N ATOM 350 CA ALA A 22 39.046 -2.399 0.687 1.00 0.00 C ATOM 351 C ALA A 22 37.872 -3.341 0.385 1.00 0.00 C ATOM 352 O ALA A 22 37.268 -3.849 1.315 1.00 0.00 O ATOM 353 CB ALA A 22 38.417 -1.176 1.348 1.00 0.00 C ATOM 0 H ALA A 22 39.513 -1.114 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 22 39.775 -2.902 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.862 -1.486 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.200 -0.476 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.739 -0.691 0.646 1.00 0.00 H new ATOM 359 N TYR A 23 37.565 -3.519 -0.915 1.00 0.00 N ATOM 360 CA TYR A 23 36.455 -4.369 -1.365 1.00 0.00 C ATOM 361 C TYR A 23 36.991 -5.512 -2.244 1.00 0.00 C ATOM 362 O TYR A 23 36.226 -6.353 -2.677 1.00 0.00 O ATOM 363 CB TYR A 23 35.452 -3.522 -2.171 1.00 0.00 C ATOM 364 CG TYR A 23 33.995 -3.896 -1.963 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.355 -4.857 -2.726 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.274 -3.238 -0.984 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.002 -5.128 -2.534 1.00 0.00 C ATOM 368 CE2 TYR A 23 31.925 -3.493 -0.775 1.00 0.00 C ATOM 369 CZ TYR A 23 31.284 -4.443 -1.552 1.00 0.00 C ATOM 370 OH TYR A 23 29.948 -4.668 -1.334 1.00 0.00 O ATOM 0 H TYR A 23 38.080 -3.078 -1.677 1.00 0.00 H new ATOM 0 HA TYR A 23 35.955 -4.795 -0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.586 -2.474 -1.904 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.689 -3.614 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.909 -5.401 -3.476 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.773 -2.507 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.508 -5.869 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.381 -2.955 -0.013 1.00 0.00 H new ATOM 0 HH TYR A 23 29.836 -5.487 -0.808 1.00 0.00 H new ATOM 380 N PHE A 24 38.311 -5.505 -2.506 1.00 0.00 N ATOM 381 CA PHE A 24 38.927 -6.555 -3.324 1.00 0.00 C ATOM 382 C PHE A 24 39.822 -7.400 -2.408 1.00 0.00 C ATOM 383 O PHE A 24 39.860 -8.620 -2.524 1.00 0.00 O ATOM 384 CB PHE A 24 39.766 -5.952 -4.475 1.00 0.00 C ATOM 385 CG PHE A 24 39.193 -6.196 -5.846 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.353 -7.441 -6.441 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.527 -5.193 -6.547 1.00 0.00 C ATOM 388 CE1 PHE A 24 38.902 -7.669 -7.733 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.080 -5.412 -7.844 1.00 0.00 C ATOM 390 CZ PHE A 24 38.279 -6.650 -8.442 1.00 0.00 C ATOM 0 H PHE A 24 38.959 -4.794 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 24 38.148 -7.168 -3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 24 39.859 -4.877 -4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.772 -6.369 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.833 -8.238 -5.893 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.356 -4.236 -6.077 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.035 -8.639 -8.188 1.00 0.00 H new ATOM 0 HE2 PHE A 24 37.580 -4.623 -8.385 1.00 0.00 H new ATOM 0 HZ PHE A 24 37.950 -6.820 -9.456 1.00 0.00 H new ATOM 400 N ALA A 25 40.520 -6.689 -1.496 1.00 0.00 N ATOM 401 CA ALA A 25 41.331 -7.360 -0.481 1.00 0.00 C ATOM 402 C ALA A 25 40.429 -8.029 0.576 1.00 0.00 C ATOM 403 O ALA A 25 40.797 -9.030 1.177 1.00 0.00 O ATOM 404 CB ALA A 25 42.288 -6.364 0.184 1.00 0.00 C ATOM 0 H ALA A 25 40.533 -5.670 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 25 41.922 -8.135 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.884 -6.880 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.948 -5.935 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.713 -5.569 0.659 1.00 0.00 H new ATOM 410 N CYS A 26 39.228 -7.432 0.735 1.00 0.00 N ATOM 411 CA CYS A 26 38.197 -7.985 1.615 1.00 0.00 C ATOM 412 C CYS A 26 37.415 -9.144 0.968 1.00 0.00 C ATOM 413 O CYS A 26 36.488 -9.659 1.582 1.00 0.00 O ATOM 414 CB CYS A 26 37.218 -6.870 1.994 1.00 0.00 C ATOM 415 SG CYS A 26 37.685 -6.137 3.585 1.00 0.00 S ATOM 0 H CYS A 26 38.957 -6.569 0.263 1.00 0.00 H new ATOM 0 HA CYS A 26 38.700 -8.387 2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.213 -6.103 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.206 -7.270 2.053 1.00 0.00 H new ATOM 0 HG CYS A 26 38.657 -5.293 3.405 1.00 0.00 H new ATOM 421 N GLU A 27 37.800 -9.513 -0.279 1.00 0.00 N ATOM 422 CA GLU A 27 37.089 -10.544 -1.038 1.00 0.00 C ATOM 423 C GLU A 27 35.607 -10.161 -1.238 1.00 0.00 C ATOM 424 O GLU A 27 34.700 -10.857 -0.797 1.00 0.00 O ATOM 425 CB GLU A 27 37.314 -11.935 -0.407 1.00 0.00 C ATOM 426 CG GLU A 27 36.422 -13.050 -0.994 1.00 0.00 C ATOM 427 CD GLU A 27 37.143 -14.398 -1.130 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.080 -14.475 -1.920 1.00 0.00 O ATOM 429 OE2 GLU A 27 36.752 -15.356 -0.460 1.00 0.00 O ATOM 0 H GLU A 27 38.597 -9.107 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 27 37.504 -10.609 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.359 -12.215 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.133 -11.868 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.546 -13.177 -0.358 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.061 -12.739 -1.974 1.00 0.00 H new ATOM 436 N LYS A 28 35.455 -9.013 -1.941 1.00 0.00 N ATOM 437 CA LYS A 28 34.205 -8.472 -2.480 1.00 0.00 C ATOM 438 C LYS A 28 32.986 -8.804 -1.600 1.00 0.00 C ATOM 439 O LYS A 28 32.011 -9.402 -2.044 1.00 0.00 O ATOM 440 CB LYS A 28 34.052 -8.954 -3.932 1.00 0.00 C ATOM 441 CG LYS A 28 35.303 -8.787 -4.821 1.00 0.00 C ATOM 442 CD LYS A 28 35.497 -7.370 -5.385 1.00 0.00 C ATOM 443 CE LYS A 28 35.412 -7.342 -6.911 1.00 0.00 C ATOM 444 NZ LYS A 28 34.105 -7.737 -7.393 1.00 0.00 N ATOM 0 H LYS A 28 36.252 -8.413 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 28 34.251 -7.383 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.774 -10.008 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.226 -8.412 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.185 -9.058 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.240 -9.490 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 34.739 -6.707 -4.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.466 -6.984 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.641 -6.338 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 28 36.168 -8.008 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.026 -7.512 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 33.979 -8.760 -7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 33.371 -7.223 -6.865 1.00 0.00 H new ATOM 458 N ASN A 29 33.143 -8.401 -0.321 1.00 0.00 N ATOM 459 CA ASN A 29 32.173 -8.744 0.714 1.00 0.00 C ATOM 460 C ASN A 29 31.275 -7.517 0.924 1.00 0.00 C ATOM 461 O ASN A 29 30.942 -6.859 -0.051 1.00 0.00 O ATOM 462 CB ASN A 29 32.935 -9.224 1.964 1.00 0.00 C ATOM 463 CG ASN A 29 32.160 -10.312 2.722 1.00 0.00 C ATOM 464 OD1 ASN A 29 31.232 -10.047 3.482 1.00 0.00 O ATOM 465 ND2 ASN A 29 32.584 -11.557 2.440 1.00 0.00 N ATOM 0 H ASN A 29 33.930 -7.842 0.008 1.00 0.00 H new ATOM 0 HA ASN A 29 31.517 -9.570 0.441 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.910 -9.611 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 29 33.116 -8.378 2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 29 32.126 -12.361 2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 33.363 -11.697 1.797 1.00 0.00 H new ATOM 472 N GLU A 30 30.886 -7.235 2.190 1.00 0.00 N ATOM 473 CA GLU A 30 29.975 -6.111 2.448 1.00 0.00 C ATOM 474 C GLU A 30 30.362 -5.430 3.767 1.00 0.00 C ATOM 475 O GLU A 30 31.004 -4.386 3.776 1.00 0.00 O ATOM 476 CB GLU A 30 28.516 -6.605 2.477 1.00 0.00 C ATOM 477 CG GLU A 30 27.979 -7.043 1.104 1.00 0.00 C ATOM 478 CD GLU A 30 26.653 -7.821 1.226 1.00 0.00 C ATOM 479 OE1 GLU A 30 26.615 -8.805 1.965 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.680 -7.443 0.574 1.00 0.00 O ATOM 0 H GLU A 30 31.180 -7.754 3.018 1.00 0.00 H new ATOM 0 HA GLU A 30 30.060 -5.379 1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.440 -7.443 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.881 -5.810 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 30 27.828 -6.165 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.721 -7.667 0.606 1.00 0.00 H new ATOM 487 N ASN A 31 29.942 -6.083 4.865 1.00 0.00 N ATOM 488 CA ASN A 31 30.276 -5.633 6.215 1.00 0.00 C ATOM 489 C ASN A 31 31.794 -5.668 6.457 1.00 0.00 C ATOM 490 O ASN A 31 32.286 -4.989 7.346 1.00 0.00 O ATOM 491 CB ASN A 31 29.573 -6.552 7.238 1.00 0.00 C ATOM 492 CG ASN A 31 28.563 -5.778 8.094 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.671 -5.106 7.587 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.754 -5.909 9.419 1.00 0.00 N ATOM 0 H ASN A 31 29.369 -6.926 4.836 1.00 0.00 H new ATOM 0 HA ASN A 31 29.938 -4.603 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.062 -7.358 6.712 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.319 -7.015 7.884 1.00 0.00 H new ATOM 0 HD21 ASN A 31 28.134 -5.431 10.073 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.519 -6.486 9.769 1.00 0.00 H new ATOM 501 N LEU A 32 32.483 -6.494 5.639 1.00 0.00 N ATOM 502 CA LEU A 32 33.927 -6.673 5.794 1.00 0.00 C ATOM 503 C LEU A 32 34.662 -5.503 5.144 1.00 0.00 C ATOM 504 O LEU A 32 35.621 -4.966 5.690 1.00 0.00 O ATOM 505 CB LEU A 32 34.351 -7.985 5.102 1.00 0.00 C ATOM 506 CG LEU A 32 35.643 -8.652 5.614 1.00 0.00 C ATOM 507 CD1 LEU A 32 35.876 -8.449 7.115 1.00 0.00 C ATOM 508 CD2 LEU A 32 35.612 -10.145 5.261 1.00 0.00 C ATOM 0 H LEU A 32 32.065 -7.034 4.881 1.00 0.00 H new ATOM 0 HA LEU A 32 34.176 -6.714 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.536 -8.701 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.470 -7.785 4.037 1.00 0.00 H new ATOM 0 HG LEU A 32 36.483 -8.167 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 32 36.802 -8.943 7.410 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.949 -7.383 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 35.043 -8.876 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 32 36.523 -10.623 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.747 -10.612 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.543 -10.262 4.179 1.00 0.00 H new ATOM 520 N ALA A 33 34.145 -5.154 3.947 1.00 0.00 N ATOM 521 CA ALA A 33 34.747 -4.075 3.184 1.00 0.00 C ATOM 522 C ALA A 33 34.584 -2.742 3.896 1.00 0.00 C ATOM 523 O ALA A 33 35.537 -1.991 4.028 1.00 0.00 O ATOM 524 CB ALA A 33 34.156 -3.974 1.793 1.00 0.00 C ATOM 0 H ALA A 33 33.336 -5.597 3.510 1.00 0.00 H new ATOM 0 HA ALA A 33 35.808 -4.308 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.632 -3.155 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.325 -4.908 1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.085 -3.786 1.866 1.00 0.00 H new ATOM 530 N ALA A 34 33.344 -2.525 4.378 1.00 0.00 N ATOM 531 CA ALA A 34 33.077 -1.363 5.214 1.00 0.00 C ATOM 532 C ALA A 34 34.032 -1.352 6.418 1.00 0.00 C ATOM 533 O ALA A 34 34.693 -0.365 6.676 1.00 0.00 O ATOM 534 CB ALA A 34 31.615 -1.347 5.673 1.00 0.00 C ATOM 0 H ALA A 34 32.539 -3.127 4.203 1.00 0.00 H new ATOM 0 HA ALA A 34 33.249 -0.461 4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.439 -0.470 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.961 -1.311 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.404 -2.249 6.248 1.00 0.00 H new ATOM 540 N ASN A 35 34.118 -2.510 7.106 1.00 0.00 N ATOM 541 CA ASN A 35 35.002 -2.575 8.277 1.00 0.00 C ATOM 542 C ASN A 35 36.451 -2.136 7.968 1.00 0.00 C ATOM 543 O ASN A 35 37.093 -1.523 8.803 1.00 0.00 O ATOM 544 CB ASN A 35 35.027 -3.998 8.865 1.00 0.00 C ATOM 545 CG ASN A 35 35.002 -3.955 10.396 1.00 0.00 C ATOM 546 OD1 ASN A 35 33.957 -4.099 11.021 1.00 0.00 O ATOM 547 ND2 ASN A 35 36.201 -3.750 10.963 1.00 0.00 N ATOM 0 H ASN A 35 33.613 -3.368 6.884 1.00 0.00 H new ATOM 0 HA ASN A 35 34.588 -1.874 9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 35 34.170 -4.563 8.499 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.921 -4.521 8.526 1.00 0.00 H new ATOM 0 HD21 ASN A 35 36.284 -3.706 11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 35 37.029 -3.639 10.378 1.00 0.00 H new ATOM 554 N PHE A 36 36.912 -2.458 6.737 1.00 0.00 N ATOM 555 CA PHE A 36 38.257 -2.068 6.295 1.00 0.00 C ATOM 556 C PHE A 36 38.407 -0.525 6.278 1.00 0.00 C ATOM 557 O PHE A 36 39.331 0.029 6.865 1.00 0.00 O ATOM 558 CB PHE A 36 38.506 -2.675 4.898 1.00 0.00 C ATOM 559 CG PHE A 36 39.882 -2.439 4.303 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.297 -1.161 3.929 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.740 -3.508 4.056 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.523 -0.947 3.318 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.970 -3.300 3.443 1.00 0.00 C ATOM 564 CZ PHE A 36 42.364 -2.021 3.069 1.00 0.00 C ATOM 0 H PHE A 36 36.375 -2.980 6.045 1.00 0.00 H new ATOM 0 HA PHE A 36 39.003 -2.449 6.992 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.337 -3.750 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.762 -2.272 4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.648 -0.319 4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.447 -4.507 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.822 0.052 3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.624 -4.139 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.318 -1.865 2.588 1.00 0.00 H new ATOM 574 N LEU A 37 37.473 0.124 5.544 1.00 0.00 N ATOM 575 CA LEU A 37 37.611 1.554 5.279 1.00 0.00 C ATOM 576 C LEU A 37 37.351 2.397 6.547 1.00 0.00 C ATOM 577 O LEU A 37 37.892 3.489 6.696 1.00 0.00 O ATOM 578 CB LEU A 37 36.649 2.015 4.179 1.00 0.00 C ATOM 579 CG LEU A 37 36.783 1.314 2.811 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.567 0.441 2.526 1.00 0.00 C ATOM 581 CD2 LEU A 37 36.968 2.292 1.639 1.00 0.00 C ATOM 0 H LEU A 37 36.644 -0.313 5.141 1.00 0.00 H new ATOM 0 HA LEU A 37 38.639 1.707 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.629 1.874 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.789 3.086 4.029 1.00 0.00 H new ATOM 0 HG LEU A 37 37.684 0.704 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.685 -0.042 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.475 -0.319 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.669 1.059 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.056 1.732 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.107 2.958 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 37 37.872 2.880 1.795 1.00 0.00 H new ATOM 593 N LEU A 38 36.495 1.825 7.425 1.00 0.00 N ATOM 594 CA LEU A 38 36.080 2.499 8.654 1.00 0.00 C ATOM 595 C LEU A 38 37.155 2.287 9.748 1.00 0.00 C ATOM 596 O LEU A 38 37.325 3.104 10.646 1.00 0.00 O ATOM 597 CB LEU A 38 34.697 2.017 9.167 1.00 0.00 C ATOM 598 CG LEU A 38 33.505 1.909 8.173 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.234 2.590 8.698 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.797 2.449 6.775 1.00 0.00 C ATOM 0 H LEU A 38 36.085 0.900 7.296 1.00 0.00 H new ATOM 0 HA LEU A 38 35.978 3.560 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.839 1.033 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.393 2.690 9.969 1.00 0.00 H new ATOM 0 HG LEU A 38 33.345 0.834 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.435 2.484 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 38 31.931 2.122 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.432 3.648 8.868 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.912 2.334 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.061 3.505 6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.627 1.894 6.337 1.00 0.00 H new ATOM 612 N SER A 39 37.873 1.150 9.586 1.00 0.00 N ATOM 613 CA SER A 39 38.970 0.776 10.475 1.00 0.00 C ATOM 614 C SER A 39 40.170 1.717 10.350 1.00 0.00 C ATOM 615 O SER A 39 40.931 1.827 11.301 1.00 0.00 O ATOM 616 CB SER A 39 39.442 -0.667 10.215 1.00 0.00 C ATOM 617 OG SER A 39 38.668 -1.626 10.911 1.00 0.00 O ATOM 0 H SER A 39 37.700 0.479 8.838 1.00 0.00 H new ATOM 0 HA SER A 39 38.570 0.853 11.486 1.00 0.00 H new ATOM 0 HB2 SER A 39 39.395 -0.874 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 39 40.486 -0.763 10.512 1.00 0.00 H new ATOM 0 HG SER A 39 37.870 -1.845 10.387 1.00 0.00 H new